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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 2.640 1.450 -0.987 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.493 1.313 0.837 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 HIS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H HIS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA HIS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA HIS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB HIS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 HIS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 HIS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG HIS A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 21 ND1 HIS A 2 10.350 2.463 -2.383 1.00 0.00 N
ATOM 22 CE1 HIS A 2 11.650 2.579 -2.183 1.00 0.00 C
ATOM 23 HE1 HIS A 2 12.352 2.162 -2.905 1.00 0.00 H
ATOM 24 NE2 HIS A 2 11.852 3.226 -1.062 1.00 0.00 N
ATOM 25 HE2 HIS A 2 12.759 3.448 -0.677 1.00 0.00 H
ATOM 26 CD2 HIS A 2 10.662 3.554 -0.492 1.00 0.00 C
ATOM 27 HD2 HIS A 2 10.641 4.099 0.451 1.00 0.00 H
ATOM 28 C HIS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 29 O HIS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 30 OXT HIS A 2 9.436 5.326 0.097 1.00 0.00 O
TER 31 HIS A 2
END
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