| REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04 | |
| ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 CYS A 1 2.495 1.314 0.839 1.00 0.00 H | |
| ATOM 3 H3 CYS A 1 2.644 1.444 -0.989 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 TRP A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 15 H TRP A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 16 CA TRP A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 17 HA TRP A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 18 CB TRP A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 19 HB2 TRP A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 20 HB3 TRP A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 21 CG TRP A 2 9.696 3.076 -1.321 1.00 0.00 C | |
| ATOM 22 CD1 TRP A 2 10.427 2.515 -2.293 1.00 0.00 C | |
| ATOM 23 HD1 TRP A 2 9.934 2.029 -3.135 1.00 0.00 H | |
| ATOM 24 NE1 TRP A 2 11.801 2.713 -1.950 1.00 0.00 N | |
| ATOM 25 HE1 TRP A 2 12.593 2.399 -2.493 1.00 0.00 H | |
| ATOM 26 CE2 TRP A 2 11.867 3.367 -0.817 1.00 0.00 C | |
| ATOM 27 CZ2 TRP A 2 13.013 3.770 -0.120 1.00 0.00 C | |
| ATOM 28 HZ2 TRP A 2 14.002 3.540 -0.517 1.00 0.00 H | |
| ATOM 29 CH2 TRP A 2 12.793 4.456 1.069 1.00 0.00 C | |
| ATOM 30 HH2 TRP A 2 13.639 4.799 1.664 1.00 0.00 H | |
| ATOM 31 CZ3 TRP A 2 11.540 4.708 1.505 1.00 0.00 C | |
| ATOM 32 HZ3 TRP A 2 11.387 5.247 2.440 1.00 0.00 H | |
| ATOM 33 CE3 TRP A 2 10.401 4.292 0.786 1.00 0.00 C | |
| ATOM 34 HE3 TRP A 2 9.405 4.513 1.168 1.00 0.00 H | |
| ATOM 35 CD2 TRP A 2 10.623 3.601 -0.412 1.00 0.00 C | |
| ATOM 36 C TRP A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 37 O TRP A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 38 OXT TRP A 2 9.436 5.329 0.036 1.00 0.00 O | |
| TER 39 TRP A 2 | |
| END | |