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 2.632 1.450 -0.980 1.00 0.00 H ATOM 3 H3 CYS A 1 2.502 1.312 0.845 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 ILE A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 15 H ILE A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 16 CA ILE A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 17 HA ILE A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 18 CB ILE A 2 8.148 3.120 -1.245 1.00 0.00 C ATOM 19 HB ILE A 2 7.785 2.092 -1.246 1.00 0.00 H ATOM 20 CG2 ILE A 2 7.640 3.839 -2.490 1.00 0.00 C ATOM 21 HG21 ILE A 2 8.003 4.866 -2.491 1.00 0.00 H ATOM 22 HG22 ILE A 2 8.003 3.325 -3.381 1.00 0.00 H ATOM 23 HG23 ILE A 2 6.550 3.839 -2.491 1.00 0.00 H ATOM 24 CG1 ILE A 2 9.673 3.120 -1.245 1.00 0.00 C ATOM 25 HG12 ILE A 2 10.037 4.147 -1.245 1.00 0.00 H ATOM 26 HG13 ILE A 2 10.037 2.606 -0.355 1.00 0.00 H ATOM 27 CD1 ILE A 2 10.182 2.401 -2.490 1.00 0.00 C ATOM 28 HD11 ILE A 2 9.819 2.914 -3.381 1.00 0.00 H ATOM 29 HD12 ILE A 2 11.272 2.401 -2.491 1.00 0.00 H ATOM 30 HD13 ILE A 2 9.819 1.373 -2.491 1.00 0.00 H ATOM 31 C ILE A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 32 O ILE A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 33 OXT ILE A 2 9.440 5.328 0.074 1.00 0.00 O TER 34 ILE A 2 END