REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-01 ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ALA A 1 2.493 1.309 0.836 1.00 0.00 H ATOM 3 H3 ALA A 1 2.642 1.454 -0.988 1.00 0.00 H ATOM 4 H ALA A 1 3.909 0.724 0.000 1.00 0.00 H ATOM 5 CA ALA A 1 3.970 2.846 0.000 1.00 0.00 C ATOM 6 HA ALA A 1 3.672 3.400 -0.890 1.00 0.00 H ATOM 7 CB ALA A 1 3.577 3.654 1.232 1.00 0.00 C ATOM 8 HB1 ALA A 1 3.877 3.116 2.131 1.00 0.00 H ATOM 9 HB2 ALA A 1 4.075 4.623 1.206 1.00 0.00 H ATOM 10 HB3 ALA A 1 2.497 3.801 1.241 1.00 0.00 H ATOM 11 C ALA A 1 5.486 2.705 0.000 1.00 0.00 C ATOM 12 O ALA A 1 6.009 1.593 0.000 1.00 0.00 O ATOM 13 N MET A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 14 H MET A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 15 CA MET A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 16 HA MET A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 17 CB MET A 2 8.189 3.127 -1.232 1.00 0.00 C ATOM 18 HB2 MET A 2 7.841 2.094 -1.241 1.00 0.00 H ATOM 19 HB3 MET A 2 7.841 3.636 -2.131 1.00 0.00 H ATOM 20 CG MET A 2 9.713 3.149 -1.195 1.00 0.00 C ATOM 21 HG2 MET A 2 10.062 4.181 -1.186 1.00 0.00 H ATOM 22 HG3 MET A 2 10.062 2.640 -0.296 1.00 0.00 H ATOM 23 SD MET A 2 10.381 2.308 -2.652 1.00 0.00 S ATOM 24 CE MET A 2 12.124 2.487 -2.341 1.00 0.00 C ATOM 25 HE1 MET A 2 12.377 2.005 -1.397 1.00 0.00 H ATOM 26 HE2 MET A 2 12.688 2.021 -3.149 1.00 0.00 H ATOM 27 HE3 MET A 2 12.377 3.546 -2.287 1.00 0.00 H ATOM 28 C MET A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 29 O MET A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 30 N ILE A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 31 H ILE A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 32 CA ILE A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 33 HA ILE A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 34 CB ILE A 3 9.743 7.459 1.245 1.00 0.00 C ATOM 35 HB ILE A 3 8.661 7.591 1.246 1.00 0.00 H ATOM 36 CG2 ILE A 3 10.161 6.684 2.490 1.00 0.00 C ATOM 37 HG21 ILE A 3 11.243 6.553 2.491 1.00 0.00 H ATOM 38 HG22 ILE A 3 9.863 7.238 3.381 1.00 0.00 H ATOM 39 HG23 ILE A 3 9.677 5.708 2.491 1.00 0.00 H ATOM 40 CG1 ILE A 3 10.421 8.825 1.245 1.00 0.00 C ATOM 41 HG12 ILE A 3 11.503 8.694 1.245 1.00 0.00 H ATOM 42 HG13 ILE A 3 10.123 9.380 0.355 1.00 0.00 H ATOM 43 CD1 ILE A 3 10.003 9.600 2.490 1.00 0.00 C ATOM 44 HD11 ILE A 3 10.302 9.047 3.381 1.00 0.00 H ATOM 45 HD12 ILE A 3 10.488 10.577 2.491 1.00 0.00 H ATOM 46 HD13 ILE A 3 8.921 9.732 2.491 1.00 0.00 H ATOM 47 C ILE A 3 11.677 6.544 0.000 1.00 0.00 C ATOM 48 O ILE A 3 12.200 5.432 0.000 1.00 0.00 O ATOM 49 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N ATOM 50 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H ATOM 51 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C ATOM 52 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H ATOM 53 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H ATOM 54 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C ATOM 55 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O ATOM 56 OXT GLY A 4 15.647 9.043 -0.010 1.00 0.00 O TER 57 GLY A 4 END