| 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 2.644 1.448 -0.988 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.494 1.309 0.837 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 OXT HIS A 2 9.437 5.331 0.078 1.00 0.00 O | |
| TER 33 HIS A 2 | |
| END | |