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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.501 1.313 0.845 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.639 1.447 -0.985 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 GLY A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 26 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 27 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 28 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 29 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H
ATOM 30 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C
ATOM 31 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O
ATOM 32 N PRO A 4 12.394 7.650 0.000 1.00 0.00 N
ATOM 33 CD PRO A 4 11.766 8.966 0.000 1.00 0.00 C
ATOM 34 HD2 PRO A 4 11.462 9.224 1.014 1.00 0.00 H
ATOM 35 HD3 PRO A 4 10.891 8.951 -0.649 1.00 0.00 H
ATOM 36 CG PRO A 4 12.850 9.862 -0.522 1.00 0.00 C
ATOM 37 HG2 PRO A 4 12.817 10.809 0.016 1.00 0.00 H
ATOM 38 HG3 PRO A 4 12.702 10.045 -1.586 1.00 0.00 H
ATOM 39 CB PRO A 4 14.149 9.132 -0.276 1.00 0.00 C
ATOM 40 HB2 PRO A 4 14.650 9.573 0.586 1.00 0.00 H
ATOM 41 HB3 PRO A 4 14.786 9.227 -1.155 1.00 0.00 H
ATOM 42 CA PRO A 4 13.845 7.632 0.000 1.00 0.00 C
ATOM 43 HA PRO A 4 14.237 7.132 -0.886 1.00 0.00 H
ATOM 44 C PRO A 4 14.383 6.948 1.248 1.00 0.00 C
ATOM 45 O PRO A 4 13.614 6.443 2.064 1.00 0.00 O
ATOM 46 OXT PRO A 4 15.669 7.025 1.229 1.00 0.00 O
TER 47 PRO A 4
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