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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.496 1.306 0.838 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.645 1.453 -0.990 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 CYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H CYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA CYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA CYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB CYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 CYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 CYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 SG CYS A 2 9.992 3.050 -1.366 1.00 0.00 S
ATOM 21 HG CYS A 2 10.018 2.385 -2.518 1.00 0.00 H
ATOM 22 C CYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 23 O CYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 24 N GLN A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 25 H GLN A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 26 CA GLN A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 27 HA GLN A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 28 CB GLN A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 29 HB2 GLN A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 30 HB3 GLN A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 31 CG GLN A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 32 HG2 GLN A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 33 HG3 GLN A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 34 CD GLN A 3 10.098 9.687 2.410 1.00 0.00 C
ATOM 35 OE1 GLN A 3 9.330 9.247 3.263 1.00 0.00 O
ATOM 36 NE2 GLN A 3 10.650 10.900 2.488 1.00 0.00 N
ATOM 37 HE21 GLN A 3 10.439 11.498 3.275 1.00 0.00 H
ATOM 38 HE22 GLN A 3 11.275 11.215 1.760 1.00 0.00 H
ATOM 39 C GLN A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 40 O GLN A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 41 N LYS A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 42 H LYS A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 43 CA LYS A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 44 HA LYS A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 45 CB LYS A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 46 HB2 LYS A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 47 HB3 LYS A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 48 CG LYS A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 49 HG2 LYS A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 50 HG3 LYS A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 51 CD LYS A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 52 HD2 LYS A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 53 HD3 LYS A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 54 CE LYS A 4 17.978 6.298 -2.389 1.00 0.00 C
ATOM 55 HE2 LYS A 4 18.327 7.330 -2.380 1.00 0.00 H
ATOM 56 HE3 LYS A 4 18.327 5.789 -1.491 1.00 0.00 H
ATOM 57 NZ LYS A 4 18.507 5.612 -3.577 1.00 0.00 N
ATOM 58 HZ1 LYS A 4 18.184 6.084 -4.410 1.00 0.00 H
ATOM 59 HZ2 LYS A 4 19.517 5.626 -3.552 1.00 0.00 H
ATOM 60 HZ3 LYS A 4 18.184 4.655 -3.585 1.00 0.00 H
ATOM 61 C LYS A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 62 O LYS A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 63 OXT LYS A 4 15.666 9.052 0.044 1.00 0.00 O
TER 64 LYS A 4
END
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