| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-10 | |
| ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ASP A 1 2.488 1.316 0.833 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.648 1.445 -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 GLY A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 16 H GLY A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 17 CA GLY A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 18 HA2 GLY A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 19 HA3 GLY A 2 8.004 3.325 -0.890 1.00 0.00 H | |
| ATOM 20 C GLY A 2 8.171 5.265 0.000 1.00 0.00 C | |
| ATOM 21 O GLY A 2 7.395 6.219 0.000 1.00 0.00 O | |
| ATOM 22 N LYS A 3 9.498 5.409 0.000 1.00 0.00 N | |
| ATOM 23 H LYS A 3 10.094 4.594 0.000 1.00 0.00 H | |
| ATOM 24 CA LYS A 3 10.126 6.715 0.000 1.00 0.00 C | |
| ATOM 25 HA LYS A 3 9.821 7.266 -0.890 1.00 0.00 H | |
| ATOM 26 CB LYS A 3 9.723 7.518 1.232 1.00 0.00 C | |
| ATOM 27 HB2 LYS A 3 8.641 7.652 1.241 1.00 0.00 H | |
| ATOM 28 HB3 LYS A 3 10.030 6.984 2.131 1.00 0.00 H | |
| ATOM 29 CG LYS A 3 10.404 8.882 1.195 1.00 0.00 C | |
| ATOM 30 HG2 LYS A 3 11.486 8.749 1.186 1.00 0.00 H | |
| ATOM 31 HG3 LYS A 3 10.097 9.417 0.296 1.00 0.00 H | |
| ATOM 32 CD LYS A 3 10.001 9.686 2.427 1.00 0.00 C | |
| ATOM 33 HD2 LYS A 3 8.919 9.820 2.436 1.00 0.00 H | |
| ATOM 34 HD3 LYS A 3 10.308 9.151 3.326 1.00 0.00 H | |
| ATOM 35 CE LYS A 3 10.681 11.050 2.389 1.00 0.00 C | |
| ATOM 36 HE2 LYS A 3 11.763 10.916 2.380 1.00 0.00 H | |
| ATOM 37 HE3 LYS A 3 10.374 11.585 1.491 1.00 0.00 H | |
| ATOM 38 NZ LYS A 3 10.293 11.824 3.577 1.00 0.00 N | |
| ATOM 39 HZ1 LYS A 3 10.578 11.328 4.410 1.00 0.00 H | |
| ATOM 40 HZ2 LYS A 3 10.744 12.727 3.552 1.00 0.00 H | |
| ATOM 41 HZ3 LYS A 3 9.291 11.948 3.585 1.00 0.00 H | |
| ATOM 42 C LYS A 3 11.643 6.593 0.000 1.00 0.00 C | |
| ATOM 43 O LYS A 3 12.180 5.487 0.000 1.00 0.00 O | |
| ATOM 44 N ASP A 4 12.335 7.735 0.000 1.00 0.00 N | |
| ATOM 45 H ASP A 4 11.848 8.620 0.000 1.00 0.00 H | |
| ATOM 46 CA ASP A 4 13.784 7.753 0.000 1.00 0.00 C | |
| ATOM 47 HA ASP A 4 14.154 7.243 0.890 1.00 0.00 H | |
| ATOM 48 CB ASP A 4 14.341 7.048 -1.232 1.00 0.00 C | |
| ATOM 49 HB2 ASP A 4 14.006 6.011 -1.241 1.00 0.00 H | |
| ATOM 50 HB3 ASP A 4 13.987 7.552 -2.131 1.00 0.00 H | |
| ATOM 51 CG ASP A 4 15.867 7.088 -1.195 1.00 0.00 C | |
| ATOM 52 OD1 ASP A 4 16.455 6.133 -0.620 1.00 0.00 O | |
| ATOM 53 OD2 ASP A 4 16.431 8.074 -1.741 1.00 0.00 O | |
| ATOM 54 C ASP A 4 14.314 9.179 0.000 1.00 0.00 C | |
| ATOM 55 O ASP A 4 13.539 10.133 0.000 1.00 0.00 O | |
| ATOM 56 OXT ASP A 4 15.600 9.157 0.077 1.00 0.00 O | |
| TER 57 ASP A 4 | |
| END | |