| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-18 | |
| ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 CYS A 1 2.495 1.316 0.840 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.639 1.452 -0.985 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 MET A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 H MET A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 16 CA MET A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 17 HA MET A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 18 CB MET A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 19 HB2 MET A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 20 HB3 MET A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 21 CG MET A 2 9.713 3.149 -1.195 1.00 0.00 C | |
| ATOM 22 HG2 MET A 2 10.062 4.181 -1.186 1.00 0.00 H | |
| ATOM 23 HG3 MET A 2 10.062 2.640 -0.296 1.00 0.00 H | |
| ATOM 24 SD MET A 2 10.381 2.308 -2.652 1.00 0.00 S | |
| ATOM 25 CE MET A 2 12.124 2.487 -2.341 1.00 0.00 C | |
| ATOM 26 HE1 MET A 2 12.377 2.005 -1.397 1.00 0.00 H | |
| ATOM 27 HE2 MET A 2 12.688 2.021 -3.149 1.00 0.00 H | |
| ATOM 28 HE3 MET A 2 12.377 3.546 -2.287 1.00 0.00 H | |
| ATOM 29 C MET A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 30 O MET A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 31 N THR A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 32 H THR A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 33 CA THR A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 34 HA THR A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 35 CB THR A 3 9.768 7.492 1.232 1.00 0.00 C | |
| ATOM 36 HB THR A 3 10.266 8.462 1.206 1.00 0.00 H | |
| ATOM 37 CG2 THR A 3 8.257 7.698 1.244 1.00 0.00 C | |
| ATOM 38 HG21 THR A 3 7.758 6.729 1.271 1.00 0.00 H | |
| ATOM 39 HG22 THR A 3 7.975 8.276 2.125 1.00 0.00 H | |
| ATOM 40 HG23 THR A 3 7.956 8.236 0.346 1.00 0.00 H | |
| ATOM 41 OG1 THR A 3 10.163 6.786 2.411 1.00 0.00 O | |
| ATOM 42 HG1 THR A 3 9.915 7.295 3.187 1.00 0.00 H | |
| ATOM 43 C THR A 3 11.677 6.544 0.000 1.00 0.00 C | |
| ATOM 44 O THR A 3 12.200 5.432 0.000 1.00 0.00 O | |
| ATOM 45 N SER A 4 12.382 7.677 0.000 1.00 0.00 N | |
| ATOM 46 H SER A 4 11.906 8.568 0.000 1.00 0.00 H | |
| ATOM 47 CA SER A 4 13.831 7.677 0.000 1.00 0.00 C | |
| ATOM 48 HA SER A 4 14.195 7.163 0.890 1.00 0.00 H | |
| ATOM 49 CB SER A 4 14.380 6.966 -1.232 1.00 0.00 C | |
| ATOM 50 HB2 SER A 4 14.032 5.933 -1.241 1.00 0.00 H | |
| ATOM 51 HB3 SER A 4 14.032 7.474 -2.131 1.00 0.00 H | |
| ATOM 52 OG SER A 4 15.809 6.986 -1.197 1.00 0.00 O | |
| ATOM 53 HG SER A 4 16.155 6.538 -1.973 1.00 0.00 H | |
| ATOM 54 C SER A 4 14.379 9.097 0.000 1.00 0.00 C | |
| ATOM 55 O SER A 4 13.616 10.060 0.000 1.00 0.00 O | |
| ATOM 56 OXT SER A 4 15.666 9.047 0.050 1.00 0.00 O | |
| TER 57 SER A 4 | |
| END | |