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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-09
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.493 1.307 0.835 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.645 1.449 -0.989 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 MET A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H MET A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA MET A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA MET A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB MET A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 MET A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 MET A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG MET A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 MET A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 MET A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 SD MET A 2 10.381 2.308 -2.652 1.00 0.00 S
ATOM 24 CE MET A 2 12.124 2.487 -2.341 1.00 0.00 C
ATOM 25 HE1 MET A 2 12.377 2.005 -1.397 1.00 0.00 H
ATOM 26 HE2 MET A 2 12.688 2.021 -3.149 1.00 0.00 H
ATOM 27 HE3 MET A 2 12.377 3.546 -2.287 1.00 0.00 H
ATOM 28 C MET A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 29 O MET A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 30 N LYS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 31 H LYS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 32 CA LYS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 33 HA LYS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 34 CB LYS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 35 HB2 LYS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 36 HB3 LYS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 37 CG LYS A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 38 HG2 LYS A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 39 HG3 LYS A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 40 CD LYS A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 41 HD2 LYS A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 42 HD3 LYS A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 43 CE LYS A 3 10.769 11.012 2.389 1.00 0.00 C
ATOM 44 HE2 LYS A 3 11.849 10.866 2.380 1.00 0.00 H
ATOM 45 HE3 LYS A 3 10.469 11.551 1.491 1.00 0.00 H
ATOM 46 NZ LYS A 3 10.390 11.791 3.577 1.00 0.00 N
ATOM 47 HZ1 LYS A 3 10.669 11.292 4.410 1.00 0.00 H
ATOM 48 HZ2 LYS A 3 10.852 12.689 3.552 1.00 0.00 H
ATOM 49 HZ3 LYS A 3 9.390 11.927 3.585 1.00 0.00 H
ATOM 50 C LYS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 51 O LYS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 52 N ASP A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 53 H ASP A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 54 CA ASP A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 55 HA ASP A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 56 CB ASP A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 57 HB2 ASP A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 58 HB3 ASP A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 59 CG ASP A 4 15.906 6.988 -1.195 1.00 0.00 C
ATOM 60 OD1 ASP A 4 16.482 6.025 -0.620 1.00 0.00 O
ATOM 61 OD2 ASP A 4 16.482 7.966 -1.741 1.00 0.00 O
ATOM 62 C ASP A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 63 O ASP A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 64 OXT ASP A 4 15.664 9.059 0.077 1.00 0.00 O
TER 65 ASP A 4
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