REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-09 ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ALA A 1 2.506 1.303 0.847 1.00 0.00 H ATOM 3 H3 ALA A 1 2.624 1.450 -0.975 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 N ASN A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 28 H ASN A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 29 CA ASN A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 30 HA ASN A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 31 CB ASN A 3 9.768 7.492 1.232 1.00 0.00 C ATOM 32 HB2 ASN A 3 8.688 7.640 1.241 1.00 0.00 H ATOM 33 HB3 ASN A 3 10.068 6.954 2.131 1.00 0.00 H ATOM 34 CG ASN A 3 10.445 8.856 1.232 1.00 0.00 C ATOM 35 OD1 ASN A 3 11.196 9.179 0.315 1.00 0.00 O ATOM 36 ND2 ASN A 3 10.176 9.656 2.266 1.00 0.00 N ATOM 37 HD21 ASN A 3 10.599 10.572 2.315 1.00 0.00 H ATOM 38 HD22 ASN A 3 9.551 9.343 2.994 1.00 0.00 H ATOM 39 C ASN A 3 11.677 6.544 0.000 1.00 0.00 C ATOM 40 O ASN A 3 12.200 5.432 0.000 1.00 0.00 O ATOM 41 N THR A 4 12.382 7.677 0.000 1.00 0.00 N ATOM 42 H THR A 4 11.906 8.568 0.000 1.00 0.00 H ATOM 43 CA THR A 4 13.831 7.677 0.000 1.00 0.00 C ATOM 44 HA THR A 4 14.195 7.163 0.890 1.00 0.00 H ATOM 45 CB THR A 4 14.380 6.966 -1.232 1.00 0.00 C ATOM 46 HB THR A 4 15.470 6.981 -1.206 1.00 0.00 H ATOM 47 CG2 THR A 4 13.892 5.521 -1.244 1.00 0.00 C ATOM 48 HG21 THR A 4 12.803 5.505 -1.271 1.00 0.00 H ATOM 49 HG22 THR A 4 14.284 5.012 -2.125 1.00 0.00 H ATOM 50 HG23 THR A 4 14.241 5.012 -0.346 1.00 0.00 H ATOM 51 OG1 THR A 4 13.923 7.633 -2.411 1.00 0.00 O ATOM 52 HG1 THR A 4 14.268 7.185 -3.187 1.00 0.00 H ATOM 53 C THR A 4 14.379 9.097 0.000 1.00 0.00 C ATOM 54 O THR A 4 13.616 10.060 0.000 1.00 0.00 O ATOM 55 OXT THR A 4 15.667 9.044 0.024 1.00 0.00 O TER 56 THR A 4 END