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