| REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04 | |
| ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 CYS A 1 2.494 1.310 0.837 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.646 1.442 -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 OXT PRO A 2 9.443 3.186 1.322 1.00 0.00 O | |
| TER 29 PRO A 2 | |
| END | |