| REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13 | |
| ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ALA A 1 2.645 1.443 -0.989 1.00 0.00 H | |
| ATOM 3 H3 ALA A 1 2.494 1.311 0.838 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 ALA A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 14 H ALA A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 15 CA ALA A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 16 HA ALA A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 17 CB ALA A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 18 HB1 ALA A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 19 HB2 ALA A 2 9.279 3.142 -1.206 1.00 0.00 H | |
| ATOM 20 HB3 ALA A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 21 C ALA A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 22 O ALA A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 23 N CYS A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 24 H CYS A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 25 CA CYS A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 26 HA CYS A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 27 CB CYS A 3 9.768 7.492 1.232 1.00 0.00 C | |
| ATOM 28 HB2 CYS A 3 8.688 7.640 1.241 1.00 0.00 H | |
| ATOM 29 HB3 CYS A 3 10.068 6.954 2.131 1.00 0.00 H | |
| ATOM 30 SG CYS A 3 10.501 9.142 1.366 1.00 0.00 S | |
| ATOM 31 HG CYS A 3 9.916 9.461 2.518 1.00 0.00 H | |
| ATOM 32 C CYS A 3 11.677 6.544 0.000 1.00 0.00 C | |
| ATOM 33 O CYS A 3 12.200 5.432 0.000 1.00 0.00 O | |
| ATOM 34 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N | |
| ATOM 35 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H | |
| ATOM 36 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C | |
| ATOM 37 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H | |
| ATOM 38 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H | |
| ATOM 39 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C | |
| ATOM 40 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O | |
| ATOM 41 OXT GLY A 4 15.647 9.042 -0.008 1.00 0.00 O | |
| TER 42 GLY A 4 | |
| END | |