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REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04
ATOM 1 N HIS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 HIS A 1 2.495 1.304 0.837 1.00 0.00 H
ATOM 3 H3 HIS A 1 2.642 1.447 -0.987 1.00 0.00 H
ATOM 4 H HIS A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA HIS A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA HIS A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB HIS A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB2 HIS A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 9 HB3 HIS A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 10 CG HIS A 1 4.201 5.026 1.321 1.00 0.00 C
ATOM 11 ND1 HIS A 1 3.943 5.885 2.383 1.00 0.00 N
ATOM 12 CE1 HIS A 1 4.624 6.998 2.183 1.00 0.00 C
ATOM 13 HE1 HIS A 1 4.563 7.812 2.905 1.00 0.00 H
ATOM 14 NE2 HIS A 1 5.294 6.891 1.062 1.00 0.00 N
ATOM 15 HE2 HIS A 1 5.896 7.605 0.677 1.00 0.00 H
ATOM 16 CD2 HIS A 1 5.059 5.679 0.492 1.00 0.00 C
ATOM 17 HD2 HIS A 1 5.538 5.418 -0.451 1.00 0.00 H
ATOM 18 C HIS A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 19 O HIS A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 20 N ASP A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 21 H ASP A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 22 CA ASP A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 23 HA ASP A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 24 CB ASP A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 25 HB2 ASP A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 26 HB3 ASP A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 27 CG ASP A 2 9.715 3.149 -1.195 1.00 0.00 C
ATOM 28 OD1 ASP A 2 10.291 2.187 -0.620 1.00 0.00 O
ATOM 29 OD2 ASP A 2 10.291 4.128 -1.741 1.00 0.00 O
ATOM 30 C ASP A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 31 O ASP A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 32 OXT ASP A 2 9.439 5.332 0.077 1.00 0.00 O
TER 33 ASP A 2
END
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