| REMARK 1 CREATED WITH OPENMM 7.7, 2022-04-26 | |
| CRYST1 8.809 11.467 12.142 90.00 90.00 90.00 P 1 1 | |
| HETATM 1 H1 ACE A 1 3.759 4.075 9.040 1.00 0.00 H | |
| HETATM 2 CH3 ACE A 1 3.100 3.745 8.237 1.00 0.00 C | |
| HETATM 3 H2 ACE A 1 2.378 4.534 8.026 1.00 0.00 H | |
| HETATM 4 H3 ACE A 1 2.688 2.822 8.643 1.00 0.00 H | |
| HETATM 5 C ACE A 1 3.890 3.359 7.044 1.00 0.00 C | |
| HETATM 6 O ACE A 1 5.007 2.902 7.289 1.00 0.00 O | |
| ATOM 7 N PRO A 2 3.384 3.554 5.839 1.00 0.00 N | |
| ATOM 8 CD PRO A 2 2.001 3.873 5.553 1.00 0.00 C | |
| ATOM 9 HD3 PRO A 2 1.867 4.884 5.937 1.00 0.00 H | |
| ATOM 10 HD2 PRO A 2 1.244 3.253 6.034 1.00 0.00 H | |
| ATOM 11 CG PRO A 2 1.891 3.902 4.001 1.00 0.00 C | |
| ATOM 12 HG3 PRO A 2 2.079 4.928 3.684 1.00 0.00 H | |
| ATOM 13 HG2 PRO A 2 1.001 3.460 3.554 1.00 0.00 H | |
| ATOM 14 CB PRO A 2 3.058 3.028 3.574 1.00 0.00 C | |
| ATOM 15 HB3 PRO A 2 3.414 3.239 2.565 1.00 0.00 H | |
| ATOM 16 HB2 PRO A 2 2.793 1.971 3.598 1.00 0.00 H | |
| ATOM 17 CA PRO A 2 4.152 3.228 4.635 1.00 0.00 C | |
| ATOM 18 HA PRO A 2 4.692 2.309 4.861 1.00 0.00 H | |
| ATOM 19 C PRO A 2 5.245 4.264 4.276 1.00 0.00 C | |
| ATOM 20 O PRO A 2 5.072 5.493 4.520 1.00 0.00 O | |
| ATOM 21 N PRO A 3 6.370 3.834 3.543 1.00 0.00 N | |
| ATOM 22 CD PRO A 3 6.819 2.431 3.433 1.00 0.00 C | |
| ATOM 23 HD3 PRO A 3 6.090 1.990 2.753 1.00 0.00 H | |
| ATOM 24 HD2 PRO A 3 6.862 1.935 4.403 1.00 0.00 H | |
| ATOM 25 CG PRO A 3 8.174 2.467 2.854 1.00 0.00 C | |
| ATOM 26 HG3 PRO A 3 8.166 2.193 1.799 1.00 0.00 H | |
| ATOM 27 HG2 PRO A 3 8.821 1.763 3.377 1.00 0.00 H | |
| ATOM 28 CB PRO A 3 8.651 3.856 3.143 1.00 0.00 C | |
| ATOM 29 HB3 PRO A 3 9.314 4.179 2.341 1.00 0.00 H | |
| ATOM 30 HB2 PRO A 3 9.174 3.794 4.098 1.00 0.00 H | |
| ATOM 31 CA PRO A 3 7.451 4.751 3.239 1.00 0.00 C | |
| ATOM 32 HA PRO A 3 7.546 5.437 4.081 1.00 0.00 H | |
| ATOM 33 C PRO A 3 7.178 5.522 1.925 1.00 0.00 C | |
| ATOM 34 O PRO A 3 6.413 5.020 1.146 1.00 0.00 O | |
| ATOM 35 N PRO A 4 7.794 6.689 1.731 1.00 0.00 N | |
| ATOM 36 CD PRO A 4 8.741 7.334 2.609 1.00 0.00 C | |
| ATOM 37 HD3 PRO A 4 9.424 6.515 2.835 1.00 0.00 H | |
| ATOM 38 HD2 PRO A 4 8.338 7.628 3.578 1.00 0.00 H | |
| ATOM 39 CG PRO A 4 9.343 8.518 1.790 1.00 0.00 C | |
| ATOM 40 HG3 PRO A 4 10.245 8.137 1.311 1.00 0.00 H | |
| ATOM 41 HG2 PRO A 4 9.634 9.368 2.407 1.00 0.00 H | |
| ATOM 42 CB PRO A 4 8.143 8.864 0.844 1.00 0.00 C | |
| ATOM 43 HB3 PRO A 4 8.580 9.203 -0.095 1.00 0.00 H | |
| ATOM 44 HB2 PRO A 4 7.456 9.515 1.385 1.00 0.00 H | |
| ATOM 45 CA PRO A 4 7.537 7.528 0.576 1.00 0.00 C | |
| ATOM 46 HA PRO A 4 6.464 7.618 0.407 1.00 0.00 H | |
| ATOM 47 C PRO A 4 7.924 6.905 -0.802 1.00 0.00 C | |
| ATOM 48 O PRO A 4 8.897 6.134 -0.940 1.00 0.00 O | |
| HETATM 49 N NME A 5 7.148 7.256 -1.814 1.00 0.00 N | |
| HETATM 50 H NME A 5 6.389 7.902 -1.649 1.00 0.00 H | |
| HETATM 51 C NME A 5 7.329 6.749 -3.180 1.00 0.00 C | |
| HETATM 52 H1 NME A 5 7.757 5.749 -3.113 1.00 0.00 H | |
| HETATM 53 H2 NME A 5 6.350 6.771 -3.659 1.00 0.00 H | |
| HETATM 54 H3 NME A 5 7.982 7.318 -3.841 1.00 0.00 H | |
| TER 55 NME A 5 | |
| CONECT 1 2 | |
| CONECT 2 5 1 3 4 | |
| CONECT 3 2 | |
| CONECT 4 2 | |
| CONECT 5 2 6 7 | |
| CONECT 6 5 | |
| CONECT 7 5 | |
| CONECT 47 49 | |
| CONECT 49 47 51 50 | |
| CONECT 50 49 | |
| CONECT 51 52 53 54 49 | |
| CONECT 52 51 | |
| CONECT 53 51 | |
| CONECT 54 51 | |
| END | |