REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-10 ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ASP A 1 2.499 1.309 0.842 1.00 0.00 H ATOM 3 H3 ASP A 1 2.638 1.445 -0.984 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 ILE A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 16 H ILE A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 17 CA ILE A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 18 HA ILE A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 19 CB ILE A 2 8.148 3.120 -1.245 1.00 0.00 C ATOM 20 HB ILE A 2 7.785 2.092 -1.246 1.00 0.00 H ATOM 21 CG2 ILE A 2 7.640 3.839 -2.490 1.00 0.00 C ATOM 22 HG21 ILE A 2 8.003 4.866 -2.491 1.00 0.00 H ATOM 23 HG22 ILE A 2 8.003 3.325 -3.381 1.00 0.00 H ATOM 24 HG23 ILE A 2 6.550 3.839 -2.491 1.00 0.00 H ATOM 25 CG1 ILE A 2 9.673 3.120 -1.245 1.00 0.00 C ATOM 26 HG12 ILE A 2 10.037 4.147 -1.245 1.00 0.00 H ATOM 27 HG13 ILE A 2 10.037 2.606 -0.355 1.00 0.00 H ATOM 28 CD1 ILE A 2 10.182 2.401 -2.490 1.00 0.00 C ATOM 29 HD11 ILE A 2 9.819 2.914 -3.381 1.00 0.00 H ATOM 30 HD12 ILE A 2 11.272 2.401 -2.491 1.00 0.00 H ATOM 31 HD13 ILE A 2 9.819 1.373 -2.491 1.00 0.00 H ATOM 32 C ILE A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 33 O ILE A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 34 N GLY A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 35 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 36 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 37 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 38 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H ATOM 39 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C ATOM 40 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O ATOM 41 N ALA A 4 12.394 7.650 0.000 1.00 0.00 N ATOM 42 H ALA A 4 11.929 8.547 0.000 1.00 0.00 H ATOM 43 CA ALA A 4 13.843 7.632 0.000 1.00 0.00 C ATOM 44 HA ALA A 4 14.200 7.114 0.890 1.00 0.00 H ATOM 45 CB ALA A 4 14.383 6.914 -1.232 1.00 0.00 C ATOM 46 HB1 ALA A 4 14.041 7.427 -2.131 1.00 0.00 H ATOM 47 HB2 ALA A 4 15.473 6.916 -1.206 1.00 0.00 H ATOM 48 HB3 ALA A 4 14.022 5.886 -1.241 1.00 0.00 H ATOM 49 C ALA A 4 14.408 9.045 0.000 1.00 0.00 C ATOM 50 O ALA A 4 13.657 10.018 0.000 1.00 0.00 O ATOM 51 OXT ALA A 4 15.694 8.963 0.022 1.00 0.00 O TER 52 ALA A 4 END