| REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04 | |
| ATOM 1 N ILE A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ILE A 1 2.326 1.259 0.606 1.00 0.00 H | |
| ATOM 3 H3 ILE A 1 2.799 1.463 -1.085 1.00 0.00 H | |
| ATOM 4 H ILE A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA ILE A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA ILE A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB ILE A 1 3.552 3.621 1.245 1.00 0.00 C | |
| ATOM 8 HB ILE A 1 2.470 3.752 1.246 1.00 0.00 H | |
| ATOM 9 CG2 ILE A 1 3.970 2.846 2.490 1.00 0.00 C | |
| ATOM 10 HG21 ILE A 1 5.052 2.714 2.491 1.00 0.00 H | |
| ATOM 11 HG22 ILE A 1 3.672 3.399 3.381 1.00 0.00 H | |
| ATOM 12 HG23 ILE A 1 3.486 1.869 2.491 1.00 0.00 H | |
| ATOM 13 CG1 ILE A 1 4.230 4.987 1.245 1.00 0.00 C | |
| ATOM 14 HG12 ILE A 1 5.312 4.856 1.245 1.00 0.00 H | |
| ATOM 15 HG13 ILE A 1 3.932 5.541 0.355 1.00 0.00 H | |
| ATOM 16 CD1 ILE A 1 3.812 5.762 2.490 1.00 0.00 C | |
| ATOM 17 HD11 ILE A 1 4.111 5.208 3.381 1.00 0.00 H | |
| ATOM 18 HD12 ILE A 1 4.297 6.738 2.491 1.00 0.00 H | |
| ATOM 19 HD13 ILE A 1 2.730 5.893 2.491 1.00 0.00 H | |
| ATOM 20 C ILE A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 21 O ILE A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 22 N ASP A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 23 H ASP A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 24 CA ASP A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 25 HA ASP A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 26 CB ASP A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 27 HB2 ASP A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 28 HB3 ASP A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 29 CG ASP A 2 9.715 3.149 -1.195 1.00 0.00 C | |
| ATOM 30 OD1 ASP A 2 10.291 2.187 -0.620 1.00 0.00 O | |
| ATOM 31 OD2 ASP A 2 10.291 4.128 -1.741 1.00 0.00 O | |
| ATOM 32 C ASP A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 33 O ASP A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 34 OXT ASP A 2 9.436 5.331 0.105 1.00 0.00 O | |
| TER 35 ASP A 2 | |
| END | |