| 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 2.643 1.448 -0.987 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.495 1.314 0.839 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 HIS A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 H HIS A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 16 CA HIS A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 17 HA HIS A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 18 CB HIS A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 19 HB2 HIS A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 20 HB3 HIS A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 21 CG HIS A 2 9.696 3.076 -1.321 1.00 0.00 C | |
| ATOM 22 ND1 HIS A 2 10.350 2.463 -2.383 1.00 0.00 N | |
| ATOM 23 CE1 HIS A 2 11.650 2.579 -2.183 1.00 0.00 C | |
| ATOM 24 HE1 HIS A 2 12.352 2.162 -2.905 1.00 0.00 H | |
| ATOM 25 NE2 HIS A 2 11.852 3.226 -1.062 1.00 0.00 N | |
| ATOM 26 HE2 HIS A 2 12.759 3.448 -0.677 1.00 0.00 H | |
| ATOM 27 CD2 HIS A 2 10.662 3.554 -0.492 1.00 0.00 C | |
| ATOM 28 HD2 HIS A 2 10.641 4.099 0.451 1.00 0.00 H | |
| ATOM 29 C HIS A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 30 O HIS A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 31 OXT HIS A 2 9.436 5.328 0.090 1.00 0.00 O | |
| TER 32 HIS A 2 | |
| END | |