REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04 ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ALA A 1 2.629 1.451 -0.978 1.00 0.00 H ATOM 3 H3 ALA A 1 2.501 1.309 0.844 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 THR A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 14 H THR A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 15 CA THR A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 16 HA THR A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 17 CB THR A 2 8.189 3.127 -1.232 1.00 0.00 C ATOM 18 HB THR A 2 9.279 3.142 -1.206 1.00 0.00 H ATOM 19 CG2 THR A 2 7.701 1.682 -1.244 1.00 0.00 C ATOM 20 HG21 THR A 2 6.612 1.666 -1.271 1.00 0.00 H ATOM 21 HG22 THR A 2 8.093 1.173 -2.125 1.00 0.00 H ATOM 22 HG23 THR A 2 8.050 1.173 -0.346 1.00 0.00 H ATOM 23 OG1 THR A 2 7.732 3.795 -2.411 1.00 0.00 O ATOM 24 HG1 THR A 2 8.077 3.347 -3.187 1.00 0.00 H ATOM 25 C THR A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 26 O THR A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 27 OXT THR A 2 9.443 5.318 0.044 1.00 0.00 O TER 28 THR A 2 END