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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.641 1.446 -0.986 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.496 1.309 0.838 1.00 0.00 H
ATOM 4 H ALA A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA ALA A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA ALA A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB ALA A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB1 ALA A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 9 HB2 ALA A 1 4.075 4.623 1.206 1.00 0.00 H
ATOM 10 HB3 ALA A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 11 C ALA A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 12 O ALA A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 13 N HIS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H HIS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA HIS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA HIS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB HIS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 HIS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 HIS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG HIS A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 21 ND1 HIS A 2 10.350 2.463 -2.383 1.00 0.00 N
ATOM 22 CE1 HIS A 2 11.650 2.579 -2.183 1.00 0.00 C
ATOM 23 HE1 HIS A 2 12.352 2.162 -2.905 1.00 0.00 H
ATOM 24 NE2 HIS A 2 11.852 3.226 -1.062 1.00 0.00 N
ATOM 25 HE2 HIS A 2 12.759 3.448 -0.677 1.00 0.00 H
ATOM 26 CD2 HIS A 2 10.662 3.554 -0.492 1.00 0.00 C
ATOM 27 HD2 HIS A 2 10.641 4.099 0.451 1.00 0.00 H
ATOM 28 C HIS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 29 O HIS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 30 N VAL A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 31 H VAL A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 32 CA VAL A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 33 HA VAL A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 34 CB VAL A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 35 HB VAL A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 36 CG1 VAL A 3 10.189 6.739 2.490 1.00 0.00 C
ATOM 37 HG11 VAL A 3 11.269 6.592 2.481 1.00 0.00 H
ATOM 38 HG12 VAL A 3 9.908 7.316 3.371 1.00 0.00 H
ATOM 39 HG13 VAL A 3 9.691 5.770 2.517 1.00 0.00 H
ATOM 40 CG2 VAL A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 41 HG21 VAL A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 42 HG22 VAL A 3 10.185 9.426 2.075 1.00 0.00 H
ATOM 43 HG23 VAL A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 44 C VAL A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 45 O VAL A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 46 N ARG A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 47 H ARG A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 48 CA ARG A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 49 HA ARG A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 50 CB ARG A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 51 HB2 ARG A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 52 HB3 ARG A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 53 CG ARG A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 54 HG2 ARG A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 55 HG3 ARG A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 56 CD ARG A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 57 HD2 ARG A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 58 HD3 ARG A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 59 NE ARG A 4 17.933 6.277 -2.425 1.00 0.00 N
ATOM 60 HE ARG A 4 18.414 6.722 -1.655 1.00 0.00 H
ATOM 61 CZ ARG A 4 18.660 5.720 -3.389 1.00 0.00 C
ATOM 62 NH1 ARG A 4 18.100 5.117 -4.434 1.00 0.00 N
ATOM 63 HH11 ARG A 4 17.093 5.074 -4.509 1.00 0.00 H
ATOM 64 HH12 ARG A 4 18.683 4.705 -5.148 1.00 0.00 H
ATOM 65 NH2 ARG A 4 19.984 5.779 -3.287 1.00 0.00 N
ATOM 66 HH21 ARG A 4 20.406 6.238 -2.492 1.00 0.00 H
ATOM 67 HH22 ARG A 4 20.562 5.365 -4.004 1.00 0.00 H
ATOM 68 C ARG A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 69 O ARG A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 70 OXT ARG A 4 15.665 9.052 0.059 1.00 0.00 O
TER 71 ARG A 4
END
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