| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-13 | |
| ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 CYS A 1 2.492 1.308 0.835 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.647 1.445 -0.990 1.00 0.00 H | |
| ATOM 4 H CYS A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA CYS A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA CYS A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB CYS A 1 3.577 3.654 1.232 1.00 0.00 C | |
| ATOM 8 HB2 CYS A 1 2.497 3.801 1.241 1.00 0.00 H | |
| ATOM 9 HB3 CYS A 1 3.877 3.116 2.131 1.00 0.00 H | |
| ATOM 10 SG CYS A 1 4.310 5.304 1.366 1.00 0.00 S | |
| ATOM 11 HG CYS A 1 3.725 5.622 2.518 1.00 0.00 H | |
| ATOM 12 C CYS A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 13 O CYS A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 14 N PRO A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 CD PRO A 2 5.547 5.147 0.000 1.00 0.00 C | |
| ATOM 16 HD2 PRO A 2 5.240 5.401 1.014 1.00 0.00 H | |
| ATOM 17 HD3 PRO A 2 4.672 5.121 -0.649 1.00 0.00 H | |
| ATOM 18 CG PRO A 2 6.620 6.056 -0.522 1.00 0.00 C | |
| ATOM 19 HG2 PRO A 2 6.576 7.003 0.016 1.00 0.00 H | |
| ATOM 20 HG3 PRO A 2 6.470 6.237 -1.586 1.00 0.00 H | |
| ATOM 21 CB PRO A 2 7.927 5.342 -0.276 1.00 0.00 C | |
| ATOM 22 HB2 PRO A 2 8.424 5.789 0.586 1.00 0.00 H | |
| ATOM 23 HB3 PRO A 2 8.564 5.445 -1.155 1.00 0.00 H | |
| ATOM 24 CA PRO A 2 7.642 3.839 0.000 1.00 0.00 C | |
| ATOM 25 HA PRO A 2 8.040 3.343 -0.886 1.00 0.00 H | |
| ATOM 26 C PRO A 2 8.189 3.161 1.248 1.00 0.00 C | |
| ATOM 27 O PRO A 2 7.426 2.647 2.064 1.00 0.00 O | |
| ATOM 28 N GLY A 3 9.515 3.161 1.396 1.00 0.00 N | |
| ATOM 29 H GLY A 3 10.101 3.596 0.698 1.00 0.00 H | |
| ATOM 30 CA GLY A 3 10.158 2.548 2.541 1.00 0.00 C | |
| ATOM 31 HA2 GLY A 3 9.811 3.031 3.455 1.00 0.00 H | |
| ATOM 32 HA3 GLY A 3 9.909 1.488 2.574 1.00 0.00 H | |
| ATOM 33 C GLY A 3 11.670 2.699 2.445 1.00 0.00 C | |
| ATOM 34 O GLY A 3 12.179 3.278 1.488 1.00 0.00 O | |
| ATOM 35 N MET A 4 12.387 2.176 3.442 1.00 0.00 N | |
| ATOM 36 H MET A 4 11.923 1.710 4.208 1.00 0.00 H | |
| ATOM 37 CA MET A 4 13.834 2.254 3.466 1.00 0.00 C | |
| ATOM 38 HA MET A 4 14.240 1.756 2.586 1.00 0.00 H | |
| ATOM 39 CB MET A 4 14.306 3.704 3.468 1.00 0.00 C | |
| ATOM 40 HB2 MET A 4 13.945 4.205 2.569 1.00 0.00 H | |
| ATOM 41 HB3 MET A 4 13.914 4.214 4.348 1.00 0.00 H | |
| ATOM 42 CG MET A 4 15.830 3.743 3.494 1.00 0.00 C | |
| ATOM 43 HG2 MET A 4 16.191 3.243 4.393 1.00 0.00 H | |
| ATOM 44 HG3 MET A 4 16.222 3.234 2.613 1.00 0.00 H | |
| ATOM 45 SD MET A 4 16.406 5.459 3.496 1.00 0.00 S | |
| ATOM 46 CE MET A 4 18.166 5.194 3.527 1.00 0.00 C | |
| ATOM 47 HE1 MET A 4 18.465 4.628 2.645 1.00 0.00 H | |
| ATOM 48 HE2 MET A 4 18.678 6.156 3.532 1.00 0.00 H | |
| ATOM 49 HE3 MET A 4 18.434 4.637 4.425 1.00 0.00 H | |
| ATOM 50 C MET A 4 14.398 1.581 4.709 1.00 0.00 C | |
| ATOM 51 O MET A 4 13.647 1.063 5.533 1.00 0.00 O | |
| ATOM 52 OXT MET A 4 15.685 1.623 4.658 1.00 0.00 O | |
| TER 53 MET A 4 | |
| END | |