| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-12 | |
| ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ASP A 1 2.491 1.313 0.834 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.648 1.452 -0.992 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 VAL A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 16 H VAL A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 17 CA VAL A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 18 HA VAL A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 19 CB VAL A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 20 HB VAL A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 21 CG1 VAL A 2 7.701 3.839 -2.490 1.00 0.00 C | |
| ATOM 22 HG11 VAL A 2 8.050 4.872 -2.481 1.00 0.00 H | |
| ATOM 23 HG12 VAL A 2 8.093 3.331 -3.371 1.00 0.00 H | |
| ATOM 24 HG13 VAL A 2 6.612 3.824 -2.517 1.00 0.00 H | |
| ATOM 25 CG2 VAL A 2 9.713 3.149 -1.195 1.00 0.00 C | |
| ATOM 26 HG21 VAL A 2 10.062 2.640 -0.296 1.00 0.00 H | |
| ATOM 27 HG22 VAL A 2 10.106 2.641 -2.075 1.00 0.00 H | |
| ATOM 28 HG23 VAL A 2 10.062 4.181 -1.186 1.00 0.00 H | |
| ATOM 29 C VAL A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 30 O VAL A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 31 N HIS A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 32 H HIS A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 33 CA HIS A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 34 HA HIS A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 35 CB HIS A 3 9.768 7.492 1.232 1.00 0.00 C | |
| ATOM 36 HB2 HIS A 3 8.688 7.640 1.241 1.00 0.00 H | |
| ATOM 37 HB3 HIS A 3 10.068 6.954 2.131 1.00 0.00 H | |
| ATOM 38 CG HIS A 3 10.392 8.865 1.321 1.00 0.00 C | |
| ATOM 39 ND1 HIS A 3 10.134 9.724 2.383 1.00 0.00 N | |
| ATOM 40 CE1 HIS A 3 10.815 10.836 2.183 1.00 0.00 C | |
| ATOM 41 HE1 HIS A 3 10.754 11.650 2.905 1.00 0.00 H | |
| ATOM 42 NE2 HIS A 3 11.485 10.730 1.062 1.00 0.00 N | |
| ATOM 43 HE2 HIS A 3 12.087 11.444 0.677 1.00 0.00 H | |
| ATOM 44 CD2 HIS A 3 11.250 9.517 0.492 1.00 0.00 C | |
| ATOM 45 HD2 HIS A 3 11.729 9.256 -0.451 1.00 0.00 H | |
| ATOM 46 C HIS A 3 11.677 6.544 0.000 1.00 0.00 C | |
| ATOM 47 O HIS A 3 12.200 5.432 0.000 1.00 0.00 O | |
| ATOM 48 N MET A 4 12.382 7.677 0.000 1.00 0.00 N | |
| ATOM 49 H MET A 4 11.906 8.568 0.000 1.00 0.00 H | |
| ATOM 50 CA MET A 4 13.831 7.677 0.000 1.00 0.00 C | |
| ATOM 51 HA MET A 4 14.195 7.163 0.890 1.00 0.00 H | |
| ATOM 52 CB MET A 4 14.380 6.966 -1.232 1.00 0.00 C | |
| ATOM 53 HB2 MET A 4 14.032 5.933 -1.241 1.00 0.00 H | |
| ATOM 54 HB3 MET A 4 14.032 7.474 -2.131 1.00 0.00 H | |
| ATOM 55 CG MET A 4 15.904 6.987 -1.195 1.00 0.00 C | |
| ATOM 56 HG2 MET A 4 16.253 8.020 -1.186 1.00 0.00 H | |
| ATOM 57 HG3 MET A 4 16.253 6.479 -0.296 1.00 0.00 H | |
| ATOM 58 SD MET A 4 16.572 6.146 -2.652 1.00 0.00 S | |
| ATOM 59 CE MET A 4 18.315 6.326 -2.341 1.00 0.00 C | |
| ATOM 60 HE1 MET A 4 18.568 5.843 -1.397 1.00 0.00 H | |
| ATOM 61 HE2 MET A 4 18.879 5.859 -3.149 1.00 0.00 H | |
| ATOM 62 HE3 MET A 4 18.568 7.385 -2.287 1.00 0.00 H | |
| ATOM 63 C MET A 4 14.379 9.097 0.000 1.00 0.00 C | |
| ATOM 64 O MET A 4 13.616 10.060 0.000 1.00 0.00 O | |
| ATOM 65 OXT MET A 4 15.666 9.053 0.023 1.00 0.00 O | |
| TER 66 MET A 4 | |
| END | |