| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-21 | |
| ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 CYS A 1 2.503 1.311 0.847 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.632 1.448 -0.980 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 THR A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 H THR A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 16 CA THR A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 17 HA THR A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 18 CB THR A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 19 HB THR A 2 9.279 3.142 -1.206 1.00 0.00 H | |
| ATOM 20 CG2 THR A 2 7.701 1.682 -1.244 1.00 0.00 C | |
| ATOM 21 HG21 THR A 2 6.612 1.666 -1.271 1.00 0.00 H | |
| ATOM 22 HG22 THR A 2 8.093 1.173 -2.125 1.00 0.00 H | |
| ATOM 23 HG23 THR A 2 8.050 1.173 -0.346 1.00 0.00 H | |
| ATOM 24 OG1 THR A 2 7.732 3.795 -2.411 1.00 0.00 O | |
| ATOM 25 HG1 THR A 2 8.077 3.347 -3.187 1.00 0.00 H | |
| ATOM 26 C THR A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 27 O THR A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 28 N SER A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 29 H SER A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 30 CA SER A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 31 HA SER A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 32 CB SER A 3 9.768 7.492 1.232 1.00 0.00 C | |
| ATOM 33 HB2 SER A 3 8.688 7.640 1.241 1.00 0.00 H | |
| ATOM 34 HB3 SER A 3 10.068 6.954 2.131 1.00 0.00 H | |
| ATOM 35 OG SER A 3 10.422 8.764 1.197 1.00 0.00 O | |
| ATOM 36 HG SER A 3 10.174 9.272 1.973 1.00 0.00 H | |
| ATOM 37 C SER A 3 11.677 6.544 0.000 1.00 0.00 C | |
| ATOM 38 O SER A 3 12.200 5.432 0.000 1.00 0.00 O | |
| ATOM 39 N ALA A 4 12.382 7.677 0.000 1.00 0.00 N | |
| ATOM 40 H ALA A 4 11.906 8.568 0.000 1.00 0.00 H | |
| ATOM 41 CA ALA A 4 13.831 7.677 0.000 1.00 0.00 C | |
| ATOM 42 HA ALA A 4 14.195 7.163 0.890 1.00 0.00 H | |
| ATOM 43 CB ALA A 4 14.380 6.966 -1.232 1.00 0.00 C | |
| ATOM 44 HB1 ALA A 4 14.032 7.474 -2.131 1.00 0.00 H | |
| ATOM 45 HB2 ALA A 4 15.470 6.981 -1.206 1.00 0.00 H | |
| ATOM 46 HB3 ALA A 4 14.032 5.933 -1.241 1.00 0.00 H | |
| ATOM 47 C ALA A 4 14.379 9.097 0.000 1.00 0.00 C | |
| ATOM 48 O ALA A 4 13.616 10.060 0.000 1.00 0.00 O | |
| ATOM 49 OXT ALA A 4 15.666 9.033 0.016 1.00 0.00 O | |
| TER 50 ALA A 4 | |
| END | |