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