cobot-io-0.1.4.3: test/PDB/BondsRestoring/ASN_3.pdb
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