| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-13 | |
| ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ASP A 1 2.642 1.446 -0.987 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.493 1.313 0.836 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 HIS A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 16 H HIS A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 17 CA HIS A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 18 HA HIS A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 19 CB HIS A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 20 HB2 HIS A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 21 HB3 HIS A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 22 CG HIS A 2 9.696 3.076 -1.321 1.00 0.00 C | |
| ATOM 23 ND1 HIS A 2 10.350 2.463 -2.383 1.00 0.00 N | |
| ATOM 24 CE1 HIS A 2 11.650 2.579 -2.183 1.00 0.00 C | |
| ATOM 25 HE1 HIS A 2 12.352 2.162 -2.905 1.00 0.00 H | |
| ATOM 26 NE2 HIS A 2 11.852 3.226 -1.062 1.00 0.00 N | |
| ATOM 27 HE2 HIS A 2 12.759 3.448 -0.677 1.00 0.00 H | |
| ATOM 28 CD2 HIS A 2 10.662 3.554 -0.492 1.00 0.00 C | |
| ATOM 29 HD2 HIS A 2 10.641 4.099 0.451 1.00 0.00 H | |
| ATOM 30 C HIS A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 31 O HIS A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 32 N PRO A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 33 CD PRO A 3 10.402 4.228 0.000 1.00 0.00 C | |
| ATOM 34 HD2 PRO A 3 10.493 3.840 -1.014 1.00 0.00 H | |
| ATOM 35 HD3 PRO A 3 9.990 3.455 0.649 1.00 0.00 H | |
| ATOM 36 CG PRO A 3 11.694 4.785 0.522 1.00 0.00 C | |
| ATOM 37 HG2 PRO A 3 12.522 4.324 -0.016 1.00 0.00 H | |
| ATOM 38 HG3 PRO A 3 11.789 4.570 1.586 1.00 0.00 H | |
| ATOM 39 CB PRO A 3 11.636 6.273 0.276 1.00 0.00 C | |
| ATOM 40 HB2 PRO A 3 12.257 6.519 -0.586 1.00 0.00 H | |
| ATOM 41 HB3 PRO A 3 12.011 6.797 1.155 1.00 0.00 H | |
| ATOM 42 CA PRO A 3 10.162 6.686 0.000 1.00 0.00 C | |
| ATOM 43 HA PRO A 3 9.895 7.263 0.886 1.00 0.00 H | |
| ATOM 44 C PRO A 3 9.798 7.477 -1.248 1.00 0.00 C | |
| ATOM 45 O PRO A 3 8.999 7.022 -2.064 1.00 0.00 O | |
| ATOM 46 N THR A 4 10.388 8.665 -1.396 1.00 0.00 N | |
| ATOM 47 H THR A 4 11.039 8.997 -0.698 1.00 0.00 H | |
| ATOM 48 CA THR A 4 10.125 9.514 -2.541 1.00 0.00 C | |
| ATOM 49 HA THR A 4 10.403 8.988 -3.455 1.00 0.00 H | |
| ATOM 50 CB THR A 4 8.648 9.884 -2.622 1.00 0.00 C | |
| ATOM 51 HB THR A 4 8.480 10.521 -3.491 1.00 0.00 H | |
| ATOM 52 CG2 THR A 4 7.812 8.615 -2.753 1.00 0.00 C | |
| ATOM 53 HG21 THR A 4 7.979 7.978 -1.885 1.00 0.00 H | |
| ATOM 54 HG22 THR A 4 6.756 8.880 -2.811 1.00 0.00 H | |
| ATOM 55 HG23 THR A 4 8.102 8.080 -3.657 1.00 0.00 H | |
| ATOM 56 OG1 THR A 4 8.267 10.586 -1.436 1.00 0.00 O | |
| ATOM 57 HG1 THR A 4 7.337 10.819 -1.487 1.00 0.00 H | |
| ATOM 58 C THR A 4 10.925 10.806 -2.461 1.00 0.00 C | |
| ATOM 59 O THR A 4 11.674 11.018 -1.510 1.00 0.00 O | |
| ATOM 60 OXT THR A 4 10.682 11.504 -3.518 1.00 0.00 O | |
| TER 61 THR A 4 | |
| END | |