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REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04
ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 CYS A 1 2.499 1.313 0.843 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.637 1.448 -0.983 1.00 0.00 H
ATOM 4 H CYS A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA CYS A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA CYS A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB CYS A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB2 CYS A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 9 HB3 CYS A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 10 SG CYS A 1 4.310 5.304 1.366 1.00 0.00 S
ATOM 11 HG CYS A 1 3.725 5.622 2.518 1.00 0.00 H
ATOM 12 C CYS A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 13 O CYS A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 14 N VAL A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H VAL A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA VAL A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA VAL A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB VAL A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB VAL A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 CG1 VAL A 2 7.701 3.839 -2.490 1.00 0.00 C
ATOM 21 HG11 VAL A 2 8.050 4.872 -2.481 1.00 0.00 H
ATOM 22 HG12 VAL A 2 8.093 3.331 -3.371 1.00 0.00 H
ATOM 23 HG13 VAL A 2 6.612 3.824 -2.517 1.00 0.00 H
ATOM 24 CG2 VAL A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 25 HG21 VAL A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 26 HG22 VAL A 2 10.106 2.641 -2.075 1.00 0.00 H
ATOM 27 HG23 VAL A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 28 C VAL A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 29 O VAL A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 30 OXT VAL A 2 9.441 5.325 0.067 1.00 0.00 O
TER 31 VAL A 2
END
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