| REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04 | |
| ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ASP A 1 2.627 1.443 -0.976 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.501 1.309 0.845 1.00 0.00 H | |
| ATOM 4 H ASP A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA ASP A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA ASP A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB ASP A 1 3.577 3.654 1.232 1.00 0.00 C | |
| ATOM 8 HB2 ASP A 1 2.497 3.801 1.241 1.00 0.00 H | |
| ATOM 9 HB3 ASP A 1 3.877 3.116 2.131 1.00 0.00 H | |
| ATOM 10 CG ASP A 1 4.275 5.011 1.195 1.00 0.00 C | |
| ATOM 11 OD1 ASP A 1 3.669 5.955 0.620 1.00 0.00 O | |
| ATOM 12 OD2 ASP A 1 5.408 5.092 1.741 1.00 0.00 O | |
| ATOM 13 C ASP A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 14 O ASP A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 15 N THR A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 16 H THR A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 17 CA THR A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 18 HA THR A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 19 CB THR A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 20 HB THR A 2 9.279 3.142 -1.206 1.00 0.00 H | |
| ATOM 21 CG2 THR A 2 7.701 1.682 -1.244 1.00 0.00 C | |
| ATOM 22 HG21 THR A 2 6.612 1.666 -1.271 1.00 0.00 H | |
| ATOM 23 HG22 THR A 2 8.093 1.173 -2.125 1.00 0.00 H | |
| ATOM 24 HG23 THR A 2 8.050 1.173 -0.346 1.00 0.00 H | |
| ATOM 25 OG1 THR A 2 7.732 3.795 -2.411 1.00 0.00 O | |
| ATOM 26 HG1 THR A 2 8.077 3.347 -3.187 1.00 0.00 H | |
| ATOM 27 C THR A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 28 O THR A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 29 OXT THR A 2 9.443 5.321 0.026 1.00 0.00 O | |
| TER 30 THR A 2 | |
| END | |