cobot-io-0.1.4.3: test/PDB/BondsRestoring/GLU_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 GLU A 702 17.252 -5.273 3.577 1.00 39.05 N1+
ATOM 2 CA GLU A 702 16.468 -5.032 2.352 1.00 38.59 C
ATOM 3 C GLU A 702 15.106 -5.730 2.433 1.00 38.18 C
ATOM 4 O GLU A 702 14.991 -6.772 3.077 1.00 38.22 O
ATOM 5 CB GLU A 702 17.243 -5.497 1.122 1.00 0.00 C
ATOM 6 CG GLU A 702 17.356 -4.501 -0.042 1.00 0.00 C
ATOM 7 CD GLU A 702 18.559 -3.564 -0.015 1.00 0.00 C
ATOM 8 OE1 GLU A 702 19.608 -3.944 -0.581 1.00 0.00 O
ATOM 9 OE2 GLU A 702 18.405 -2.473 0.573 1.00 0.00 O1-
ATOM 10 H1 GLU A 702 18.145 -4.806 3.503 1.00 0.00 H
ATOM 11 H2 GLU A 702 16.749 -4.914 4.375 1.00 0.00 H
ATOM 12 H3 GLU A 702 17.401 -6.265 3.692 1.00 0.00 H
ATOM 13 HA GLU A 702 16.297 -3.959 2.261 1.00 0.00 H
ATOM 14 HB2 GLU A 702 18.268 -5.736 1.407 1.00 0.00 H
ATOM 15 HB3 GLU A 702 16.767 -6.385 0.706 1.00 0.00 H
ATOM 16 HG2 GLU A 702 17.422 -5.047 -0.983 1.00 0.00 H
ATOM 17 HG3 GLU A 702 16.475 -3.858 -0.057 1.00 0.00 H
ATOM 18 N GLU A 703 14.094 -5.132 1.779 1.00 0.00 N
ATOM 19 CA GLU A 703 12.691 -5.557 1.687 1.00 0.00 C
ATOM 20 C GLU A 703 11.838 -5.067 2.867 1.00 0.00 C
ATOM 21 O GLU A 703 12.356 -4.855 3.964 1.00 0.00 O
ATOM 22 CB GLU A 703 12.517 -7.039 1.368 1.00 0.00 C
ATOM 23 CG GLU A 703 12.534 -7.433 -0.118 1.00 0.00 C
ATOM 24 CD GLU A 703 13.897 -7.778 -0.710 1.00 0.00 C
ATOM 25 OE1 GLU A 703 14.271 -8.971 -0.657 1.00 0.00 O
ATOM 26 OE2 GLU A 703 14.543 -6.835 -1.212 1.00 0.00 O1-
ATOM 27 H GLU A 703 14.258 -4.278 1.267 1.00 0.00 H
ATOM 28 HA GLU A 703 12.295 -5.033 0.816 1.00 0.00 H
ATOM 29 HB2 GLU A 703 13.322 -7.608 1.833 1.00 0.00 H
ATOM 30 HB3 GLU A 703 11.558 -7.384 1.754 1.00 0.00 H
ATOM 31 HG2 GLU A 703 11.910 -8.314 -0.268 1.00 0.00 H
ATOM 32 HG3 GLU A 703 12.147 -6.608 -0.717 1.00 0.00 H
ATOM 33 N GLU A 704 10.530 -4.890 2.610 1.00 0.00 N
ATOM 34 CA GLU A 704 9.475 -4.435 3.521 1.00 0.00 C
ATOM 35 C GLU A 704 9.394 -2.904 3.568 1.00 0.00 C
ATOM 36 O GLU A 704 8.707 -2.346 2.684 1.00 0.00 O
ATOM 37 OXT GLU A 704 10.031 -2.315 4.469 1.00 0.00 O1-
ATOM 38 CB GLU A 704 9.479 -5.131 4.879 1.00 0.00 C
ATOM 39 CG GLU A 704 8.179 -5.836 5.298 1.00 0.00 C
ATOM 40 CD GLU A 704 8.043 -7.300 4.890 1.00 0.00 C
ATOM 41 OE1 GLU A 704 8.465 -8.170 5.685 1.00 0.00 O
ATOM 42 OE2 GLU A 704 7.511 -7.524 3.783 1.00 0.00 O1-
ATOM 43 H GLU A 704 10.166 -5.080 1.687 1.00 0.00 H
ATOM 44 HA GLU A 704 8.544 -4.750 3.049 1.00 0.00 H
ATOM 45 HB2 GLU A 704 10.250 -5.902 4.891 1.00 0.00 H
ATOM 46 HB3 GLU A 704 9.685 -4.401 5.661 1.00 0.00 H
ATOM 47 HG2 GLU A 704 8.090 -5.818 6.384 1.00 0.00 H
ATOM 48 HG3 GLU A 704 7.327 -5.321 4.855 1.00 0.00 H
CONECT 35 37
CONECT 37 35
ENDMDL
END