| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-18 | |
| ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 CYS A 1 2.641 1.449 -0.986 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.497 1.313 0.841 1.00 0.00 H | |
| ATOM 4 H CYS A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA CYS A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA CYS A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB CYS A 1 3.577 3.654 1.232 1.00 0.00 C | |
| ATOM 8 HB2 CYS A 1 2.497 3.801 1.241 1.00 0.00 H | |
| ATOM 9 HB3 CYS A 1 3.877 3.116 2.131 1.00 0.00 H | |
| ATOM 10 SG CYS A 1 4.310 5.304 1.366 1.00 0.00 S | |
| ATOM 11 HG CYS A 1 3.725 5.622 2.518 1.00 0.00 H | |
| ATOM 12 C CYS A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 13 O CYS A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 14 N HIS A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 H HIS A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 16 CA HIS A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 17 HA HIS A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 18 CB HIS A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 19 HB2 HIS A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 20 HB3 HIS A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 21 CG HIS A 2 9.696 3.076 -1.321 1.00 0.00 C | |
| ATOM 22 ND1 HIS A 2 10.350 2.463 -2.383 1.00 0.00 N | |
| ATOM 23 CE1 HIS A 2 11.650 2.579 -2.183 1.00 0.00 C | |
| ATOM 24 HE1 HIS A 2 12.352 2.162 -2.905 1.00 0.00 H | |
| ATOM 25 NE2 HIS A 2 11.852 3.226 -1.062 1.00 0.00 N | |
| ATOM 26 HE2 HIS A 2 12.759 3.448 -0.677 1.00 0.00 H | |
| ATOM 27 CD2 HIS A 2 10.662 3.554 -0.492 1.00 0.00 C | |
| ATOM 28 HD2 HIS A 2 10.641 4.099 0.451 1.00 0.00 H | |
| ATOM 29 C HIS A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 30 O HIS A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 31 N PRO A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 32 CD PRO A 3 10.402 4.228 0.000 1.00 0.00 C | |
| ATOM 33 HD2 PRO A 3 10.493 3.840 -1.014 1.00 0.00 H | |
| ATOM 34 HD3 PRO A 3 9.990 3.455 0.649 1.00 0.00 H | |
| ATOM 35 CG PRO A 3 11.694 4.785 0.522 1.00 0.00 C | |
| ATOM 36 HG2 PRO A 3 12.522 4.324 -0.016 1.00 0.00 H | |
| ATOM 37 HG3 PRO A 3 11.789 4.570 1.586 1.00 0.00 H | |
| ATOM 38 CB PRO A 3 11.636 6.273 0.276 1.00 0.00 C | |
| ATOM 39 HB2 PRO A 3 12.257 6.519 -0.586 1.00 0.00 H | |
| ATOM 40 HB3 PRO A 3 12.011 6.797 1.155 1.00 0.00 H | |
| ATOM 41 CA PRO A 3 10.162 6.686 0.000 1.00 0.00 C | |
| ATOM 42 HA PRO A 3 9.895 7.263 0.886 1.00 0.00 H | |
| ATOM 43 C PRO A 3 9.798 7.477 -1.248 1.00 0.00 C | |
| ATOM 44 O PRO A 3 8.999 7.022 -2.064 1.00 0.00 O | |
| ATOM 45 N ARG A 4 10.388 8.665 -1.396 1.00 0.00 N | |
| ATOM 46 H ARG A 4 11.039 8.997 -0.698 1.00 0.00 H | |
| ATOM 47 CA ARG A 4 10.125 9.514 -2.541 1.00 0.00 C | |
| ATOM 48 HA ARG A 4 10.403 8.988 -3.455 1.00 0.00 H | |
| ATOM 49 CB ARG A 4 8.648 9.884 -2.622 1.00 0.00 C | |
| ATOM 50 HB2 ARG A 4 8.050 8.978 -2.716 1.00 0.00 H | |
| ATOM 51 HB3 ARG A 4 8.357 10.419 -1.718 1.00 0.00 H | |
| ATOM 52 CG ARG A 4 8.413 10.775 -3.838 1.00 0.00 C | |
| ATOM 53 HG2 ARG A 4 9.011 11.682 -3.745 1.00 0.00 H | |
| ATOM 54 HG3 ARG A 4 8.704 10.240 -4.742 1.00 0.00 H | |
| ATOM 55 CD ARG A 4 6.936 11.146 -3.919 1.00 0.00 C | |
| ATOM 56 HD2 ARG A 4 6.338 10.239 -4.012 1.00 0.00 H | |
| ATOM 57 HD3 ARG A 4 6.645 11.681 -3.015 1.00 0.00 H | |
| ATOM 58 NE ARG A 4 6.670 12.012 -5.089 1.00 0.00 N | |
| ATOM 59 HE ARG A 4 7.443 12.262 -5.689 1.00 0.00 H | |
| ATOM 60 CZ ARG A 4 5.460 12.476 -5.387 1.00 0.00 C | |
| ATOM 61 NH1 ARG A 4 4.393 12.190 -4.645 1.00 0.00 N | |
| ATOM 62 HH11 ARG A 4 4.492 11.603 -3.828 1.00 0.00 H | |
| ATOM 63 HH12 ARG A 4 3.489 12.560 -4.902 1.00 0.00 H | |
| ATOM 64 NH2 ARG A 4 5.334 13.247 -6.463 1.00 0.00 N | |
| ATOM 65 HH21 ARG A 4 6.146 13.462 -7.024 1.00 0.00 H | |
| ATOM 66 HH22 ARG A 4 4.427 13.614 -6.714 1.00 0.00 H | |
| ATOM 67 C ARG A 4 10.925 10.806 -2.461 1.00 0.00 C | |
| ATOM 68 O ARG A 4 11.674 11.018 -1.510 1.00 0.00 O | |
| ATOM 69 OXT ARG A 4 10.710 11.499 -3.526 1.00 0.00 O | |
| TER 70 ARG A 4 | |
| END | |