| 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 2.644 1.448 -0.988 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 TYR A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 H TYR A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 16 CA TYR A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 17 HA TYR A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 18 CB TYR A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 19 HB2 TYR A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 20 HB3 TYR A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 21 CG TYR A 2 9.698 3.149 -1.195 1.00 0.00 C | |
| ATOM 22 CD1 TYR A 2 10.433 2.553 -2.227 1.00 0.00 C | |
| ATOM 23 HD1 TYR A 2 9.915 2.073 -3.058 1.00 0.00 H | |
| ATOM 24 CE1 TYR A 2 11.832 2.573 -2.193 1.00 0.00 C | |
| ATOM 25 HE1 TYR A 2 12.404 2.109 -2.997 1.00 0.00 H | |
| ATOM 26 CZ TYR A 2 12.497 3.189 -1.126 1.00 0.00 C | |
| ATOM 27 OH TYR A 2 13.857 3.208 -1.092 1.00 0.00 O | |
| ATOM 28 HH TYR A 2 14.257 2.772 -1.848 1.00 0.00 H | |
| ATOM 29 CE2 TYR A 2 11.763 3.785 -0.094 1.00 0.00 C | |
| ATOM 30 HE2 TYR A 2 12.281 4.264 0.737 1.00 0.00 H | |
| ATOM 31 CD2 TYR A 2 10.364 3.765 -0.128 1.00 0.00 C | |
| ATOM 32 HD2 TYR A 2 9.792 4.229 0.676 1.00 0.00 H | |
| ATOM 33 C TYR A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 34 O TYR A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 35 OXT TYR A 2 9.436 5.334 0.078 1.00 0.00 O | |
| TER 36 TYR A 2 | |
| END | |