cobot-io-0.1.4.3: test/PDB/BondsRestoring/ALA_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 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