| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-13 | |
| ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ASP A 1 2.489 1.308 0.831 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.645 1.449 -0.989 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 LYS A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 16 H LYS A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 17 CA LYS A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 18 HA LYS A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 19 CB LYS A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 20 HB2 LYS A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 21 HB3 LYS A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 22 CG LYS A 2 9.713 3.149 -1.195 1.00 0.00 C | |
| ATOM 23 HG2 LYS A 2 10.062 4.181 -1.186 1.00 0.00 H | |
| ATOM 24 HG3 LYS A 2 10.062 2.640 -0.296 1.00 0.00 H | |
| ATOM 25 CD LYS A 2 10.262 2.438 -2.427 1.00 0.00 C | |
| ATOM 26 HD2 LYS A 2 9.914 1.405 -2.436 1.00 0.00 H | |
| ATOM 27 HD3 LYS A 2 9.914 2.946 -3.326 1.00 0.00 H | |
| ATOM 28 CE LYS A 2 11.787 2.459 -2.389 1.00 0.00 C | |
| ATOM 29 HE2 LYS A 2 12.136 3.492 -2.380 1.00 0.00 H | |
| ATOM 30 HE3 LYS A 2 12.136 1.951 -1.491 1.00 0.00 H | |
| ATOM 31 NZ LYS A 2 12.316 1.773 -3.577 1.00 0.00 N | |
| ATOM 32 HZ1 LYS A 2 11.993 2.245 -4.410 1.00 0.00 H | |
| ATOM 33 HZ2 LYS A 2 13.326 1.788 -3.552 1.00 0.00 H | |
| ATOM 34 HZ3 LYS A 2 11.993 0.817 -3.585 1.00 0.00 H | |
| ATOM 35 C LYS A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 36 O LYS A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 37 N PRO A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 38 CD PRO A 3 10.402 4.228 0.000 1.00 0.00 C | |
| ATOM 39 HD2 PRO A 3 10.493 3.840 -1.014 1.00 0.00 H | |
| ATOM 40 HD3 PRO A 3 9.990 3.455 0.649 1.00 0.00 H | |
| ATOM 41 CG PRO A 3 11.694 4.785 0.522 1.00 0.00 C | |
| ATOM 42 HG2 PRO A 3 12.522 4.324 -0.016 1.00 0.00 H | |
| ATOM 43 HG3 PRO A 3 11.789 4.570 1.586 1.00 0.00 H | |
| ATOM 44 CB PRO A 3 11.636 6.273 0.276 1.00 0.00 C | |
| ATOM 45 HB2 PRO A 3 12.257 6.519 -0.586 1.00 0.00 H | |
| ATOM 46 HB3 PRO A 3 12.011 6.797 1.155 1.00 0.00 H | |
| ATOM 47 CA PRO A 3 10.162 6.686 0.000 1.00 0.00 C | |
| ATOM 48 HA PRO A 3 9.895 7.263 0.886 1.00 0.00 H | |
| ATOM 49 C PRO A 3 9.798 7.477 -1.248 1.00 0.00 C | |
| ATOM 50 O PRO A 3 8.999 7.022 -2.064 1.00 0.00 O | |
| ATOM 51 N LEU A 4 10.388 8.665 -1.396 1.00 0.00 N | |
| ATOM 52 H LEU A 4 11.039 8.997 -0.698 1.00 0.00 H | |
| ATOM 53 CA LEU A 4 10.125 9.514 -2.541 1.00 0.00 C | |
| ATOM 54 HA LEU A 4 10.403 8.988 -3.455 1.00 0.00 H | |
| ATOM 55 CB LEU A 4 8.648 9.884 -2.622 1.00 0.00 C | |
| ATOM 56 HB2 LEU A 4 8.050 8.978 -2.716 1.00 0.00 H | |
| ATOM 57 HB3 LEU A 4 8.357 10.419 -1.718 1.00 0.00 H | |
| ATOM 58 CG LEU A 4 8.413 10.775 -3.838 1.00 0.00 C | |
| ATOM 59 HG LEU A 4 9.011 11.682 -3.745 1.00 0.00 H | |
| ATOM 60 CD1 LEU A 4 8.820 10.026 -5.103 1.00 0.00 C | |
| ATOM 61 HD11 LEU A 4 8.222 9.119 -5.197 1.00 0.00 H | |
| ATOM 62 HD12 LEU A 4 8.652 10.663 -5.972 1.00 0.00 H | |
| ATOM 63 HD13 LEU A 4 9.875 9.761 -5.045 1.00 0.00 H | |
| ATOM 64 CD2 LEU A 4 6.936 11.146 -3.919 1.00 0.00 C | |
| ATOM 65 HD21 LEU A 4 6.645 11.681 -3.015 1.00 0.00 H | |
| ATOM 66 HD22 LEU A 4 6.768 11.782 -4.787 1.00 0.00 H | |
| ATOM 67 HD23 LEU A 4 6.338 10.239 -4.012 1.00 0.00 H | |
| ATOM 68 C LEU A 4 10.925 10.806 -2.461 1.00 0.00 C | |
| ATOM 69 O LEU A 4 11.674 11.018 -1.510 1.00 0.00 O | |
| ATOM 70 OXT LEU A 4 10.711 11.509 -3.520 1.00 0.00 O | |
| TER 71 LEU A 4 | |
| END | |