REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-12 ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ALA A 1 2.644 1.446 -0.988 1.00 0.00 H ATOM 3 H3 ALA A 1 2.496 1.304 0.837 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 ASP A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 14 H ASP A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 15 CA ASP A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 16 HA ASP A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 17 CB ASP A 2 8.189 3.127 -1.232 1.00 0.00 C ATOM 18 HB2 ASP A 2 7.841 2.094 -1.241 1.00 0.00 H ATOM 19 HB3 ASP A 2 7.841 3.636 -2.131 1.00 0.00 H ATOM 20 CG ASP A 2 9.715 3.149 -1.195 1.00 0.00 C ATOM 21 OD1 ASP A 2 10.291 2.187 -0.620 1.00 0.00 O ATOM 22 OD2 ASP A 2 10.291 4.128 -1.741 1.00 0.00 O ATOM 23 C ASP A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 24 O ASP A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 25 N GLN A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 26 H GLN A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 27 CA GLN A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 28 HA GLN A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 29 CB GLN A 3 9.768 7.492 1.232 1.00 0.00 C ATOM 30 HB2 GLN A 3 8.688 7.640 1.241 1.00 0.00 H ATOM 31 HB3 GLN A 3 10.068 6.954 2.131 1.00 0.00 H ATOM 32 CG GLN A 3 10.465 8.848 1.195 1.00 0.00 C ATOM 33 HG2 GLN A 3 11.545 8.702 1.186 1.00 0.00 H ATOM 34 HG3 GLN A 3 10.165 9.387 0.296 1.00 0.00 H ATOM 35 CD GLN A 3 10.098 9.687 2.410 1.00 0.00 C ATOM 36 OE1 GLN A 3 9.330 9.247 3.263 1.00 0.00 O ATOM 37 NE2 GLN A 3 10.650 10.900 2.488 1.00 0.00 N ATOM 38 HE21 GLN A 3 10.439 11.498 3.275 1.00 0.00 H ATOM 39 HE22 GLN A 3 11.275 11.215 1.760 1.00 0.00 H ATOM 40 C GLN A 3 11.677 6.544 0.000 1.00 0.00 C ATOM 41 O GLN A 3 12.200 5.432 0.000 1.00 0.00 O ATOM 42 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N ATOM 43 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H ATOM 44 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C ATOM 45 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H ATOM 46 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H ATOM 47 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C ATOM 48 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O ATOM 49 OXT GLY A 4 15.647 9.043 -0.020 1.00 0.00 O TER 50 GLY A 4 END