cobot-io-0.1.4.3: test/PDB/BondsRestoring/ARG_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 ARG A 702 17.252 -5.273 3.577 1.00 39.05 N1+
ATOM 2 CA ARG A 702 16.468 -5.032 2.352 1.00 38.59 C
ATOM 3 C ARG A 702 15.106 -5.730 2.433 1.00 38.18 C
ATOM 4 O ARG A 702 14.991 -6.772 3.077 1.00 38.22 O
ATOM 5 CB ARG A 702 17.243 -5.497 1.122 1.00 0.00 C
ATOM 6 CG ARG A 702 17.397 -4.548 -0.087 1.00 0.00 C
ATOM 7 CD ARG A 702 18.599 -3.605 -0.140 1.00 0.00 C
ATOM 8 NE ARG A 702 19.753 -4.211 -0.813 1.00 0.00 N
ATOM 9 CZ ARG A 702 20.692 -4.955 -0.202 1.00 0.00 C
ATOM 10 NH1 ARG A 702 20.650 -5.143 1.135 1.00 0.00 N
ATOM 11 NH2 ARG A 702 21.673 -5.493 -0.954 1.00 0.00 N1+
ATOM 12 H1 ARG A 702 18.145 -4.806 3.503 1.00 0.00 H
ATOM 13 H2 ARG A 702 16.749 -4.914 4.375 1.00 0.00 H
ATOM 14 H3 ARG A 702 17.401 -6.265 3.692 1.00 0.00 H
ATOM 15 HA ARG A 702 16.297 -3.959 2.261 1.00 0.00 H
ATOM 16 HB2 ARG A 702 18.268 -5.736 1.407 1.00 0.00 H
ATOM 17 HB3 ARG A 702 16.767 -6.385 0.706 1.00 0.00 H
ATOM 18 HG2 ARG A 702 17.469 -5.134 -1.003 1.00 0.00 H
ATOM 19 HG3 ARG A 702 16.530 -3.889 -0.145 1.00 0.00 H
ATOM 20 HD2 ARG A 702 18.329 -2.700 -0.683 1.00 0.00 H
ATOM 21 HD3 ARG A 702 18.901 -3.343 0.875 1.00 0.00 H
ATOM 22 HE ARG A 702 19.814 -4.036 -1.806 1.00 0.00 H
ATOM 23 HH12 ARG A 702 21.358 -5.702 1.589 1.00 0.00 H
ATOM 24 HH11 ARG A 702 19.911 -4.724 1.681 1.00 0.00 H
ATOM 25 HH22 ARG A 702 22.391 -6.056 -0.520 1.00 0.00 H
ATOM 26 HH21 ARG A 702 21.691 -5.334 -1.951 1.00 0.00 H
ATOM 27 N ARG A 703 14.094 -5.132 1.779 1.00 0.00 N
ATOM 28 CA ARG A 703 12.691 -5.557 1.687 1.00 0.00 C
ATOM 29 C ARG A 703 11.838 -5.067 2.867 1.00 0.00 C
ATOM 30 O ARG A 703 12.356 -4.855 3.964 1.00 0.00 O
ATOM 31 CB ARG A 703 12.517 -7.039 1.368 1.00 0.00 C
ATOM 32 CG ARG A 703 12.523 -7.508 -0.105 1.00 0.00 C
ATOM 33 CD ARG A 703 13.852 -7.901 -0.750 1.00 0.00 C
ATOM 34 NE ARG A 703 14.155 -9.326 -0.579 1.00 0.00 N
ATOM 35 CZ ARG A 703 14.810 -9.848 0.474 1.00 0.00 C
ATOM 36 NH1 ARG A 703 15.295 -9.042 1.444 1.00 0.00 N
ATOM 37 NH2 ARG A 703 14.976 -11.185 0.528 1.00 0.00 N1+
ATOM 38 H ARG A 703 14.258 -4.278 1.267 1.00 0.00 H
ATOM 39 HA ARG A 703 12.295 -5.033 0.816 1.00 0.00 H
ATOM 40 HB2 ARG A 703 13.322 -7.608 1.833 1.00 0.00 H
ATOM 41 HB3 ARG A 703 11.558 -7.384 1.754 1.00 0.00 H
ATOM 42 HG2 ARG A 703 11.897 -8.394 -0.207 1.00 0.00 H
ATOM 43 HG3 ARG A 703 12.135 -6.714 -0.742 1.00 0.00 H
ATOM 44 HD2 ARG A 703 13.814 -7.691 -1.819 1.00 0.00 H
ATOM 45 HD3 ARG A 703 14.661 -7.328 -0.297 1.00 0.00 H
ATOM 46 HE ARG A 703 13.833 -9.929 -1.323 1.00 0.00 H
ATOM 47 HH12 ARG A 703 15.786 -9.439 2.232 1.00 0.00 H
ATOM 48 HH11 ARG A 703 15.166 -8.042 1.380 1.00 0.00 H
ATOM 49 HH22 ARG A 703 15.464 -11.602 1.308 1.00 0.00 H
ATOM 50 HH21 ARG A 703 14.612 -11.769 -0.211 1.00 0.00 H
ATOM 51 N ARG A 704 10.530 -4.890 2.610 1.00 0.00 N
ATOM 52 CA ARG A 704 9.475 -4.435 3.521 1.00 0.00 C
ATOM 53 C ARG A 704 9.394 -2.904 3.568 1.00 0.00 C
ATOM 54 O ARG A 704 8.707 -2.346 2.684 1.00 0.00 O
ATOM 55 OXT ARG A 704 10.031 -2.315 4.469 1.00 0.00 O1-
ATOM 56 CB ARG A 704 9.479 -5.131 4.879 1.00 0.00 C
ATOM 57 CG ARG A 704 8.207 -5.861 5.366 1.00 0.00 C
ATOM 58 CD ARG A 704 8.023 -7.339 5.020 1.00 0.00 C
ATOM 59 NE ARG A 704 8.593 -8.224 6.040 1.00 0.00 N
ATOM 60 CZ ARG A 704 9.868 -8.654 6.054 1.00 0.00 C
ATOM 61 NH1 ARG A 704 10.711 -8.323 5.052 1.00 0.00 N
ATOM 62 NH2 ARG A 704 10.273 -9.427 7.082 1.00 0.00 N1+
ATOM 63 H ARG A 704 10.166 -5.080 1.687 1.00 0.00 H
ATOM 64 HA ARG A 704 8.544 -4.750 3.049 1.00 0.00 H
ATOM 65 HB2 ARG A 704 10.250 -5.902 4.891 1.00 0.00 H
ATOM 66 HB3 ARG A 704 9.685 -4.401 5.661 1.00 0.00 H
ATOM 67 HG2 ARG A 704 8.163 -5.827 6.455 1.00 0.00 H
ATOM 68 HG3 ARG A 704 7.326 -5.371 4.952 1.00 0.00 H
ATOM 69 HD2 ARG A 704 6.960 -7.563 4.935 1.00 0.00 H
ATOM 70 HD3 ARG A 704 8.516 -7.554 4.072 1.00 0.00 H
ATOM 71 HE ARG A 704 7.955 -8.511 6.768 1.00 0.00 H
ATOM 72 HH12 ARG A 704 11.667 -8.648 5.067 1.00 0.00 H
ATOM 73 HH11 ARG A 704 10.385 -7.749 4.287 1.00 0.00 H
ATOM 74 HH22 ARG A 704 11.225 -9.763 7.117 1.00 0.00 H
ATOM 75 HH21 ARG A 704 9.625 -9.669 7.818 1.00 0.00 H
CONECT 53 55
CONECT 55 53
ENDMDL
END