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