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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.645 1.447 -0.989 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.494 1.311 0.838 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 SER A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H SER A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA SER A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA SER A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB SER A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 SER A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 SER A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 OG SER A 2 9.618 3.148 -1.197 1.00 0.00 O
ATOM 21 HG SER A 2 9.964 2.700 -1.973 1.00 0.00 H
ATOM 22 C SER A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 23 O SER A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 24 N GLY A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 25 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 26 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 27 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 28 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H
ATOM 29 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C
ATOM 30 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O
ATOM 31 N HIS A 4 12.394 7.650 0.000 1.00 0.00 N
ATOM 32 H HIS A 4 11.929 8.547 0.000 1.00 0.00 H
ATOM 33 CA HIS A 4 13.843 7.632 0.000 1.00 0.00 C
ATOM 34 HA HIS A 4 14.200 7.114 0.890 1.00 0.00 H
ATOM 35 CB HIS A 4 14.383 6.914 -1.232 1.00 0.00 C
ATOM 36 HB2 HIS A 4 14.022 5.886 -1.241 1.00 0.00 H
ATOM 37 HB3 HIS A 4 14.041 7.427 -2.131 1.00 0.00 H
ATOM 38 CG HIS A 4 15.889 6.844 -1.321 1.00 0.00 C
ATOM 39 ND1 HIS A 4 16.536 6.223 -2.383 1.00 0.00 N
ATOM 40 CE1 HIS A 4 17.837 6.323 -2.183 1.00 0.00 C
ATOM 41 HE1 HIS A 4 18.534 5.898 -2.905 1.00 0.00 H
ATOM 42 NE2 HIS A 4 18.047 6.968 -1.062 1.00 0.00 N
ATOM 43 HE2 HIS A 4 18.957 7.179 -0.677 1.00 0.00 H
ATOM 44 CD2 HIS A 4 16.861 7.311 -0.492 1.00 0.00 C
ATOM 45 HD2 HIS A 4 16.847 7.856 0.451 1.00 0.00 H
ATOM 46 C HIS A 4 14.408 9.045 0.000 1.00 0.00 C
ATOM 47 O HIS A 4 13.657 10.018 0.000 1.00 0.00 O
ATOM 48 OXT HIS A 4 15.690 8.990 0.086 1.00 0.00 O
TER 49 HIS A 4
END
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