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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 2.503 1.312 0.846 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.629 1.449 -0.978 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 THR A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H THR A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA THR A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA THR A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB THR A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB THR A 2 9.279 3.142 -1.206 1.00 0.00 H
ATOM 20 CG2 THR A 2 7.701 1.682 -1.244 1.00 0.00 C
ATOM 21 HG21 THR A 2 6.612 1.666 -1.271 1.00 0.00 H
ATOM 22 HG22 THR A 2 8.093 1.173 -2.125 1.00 0.00 H
ATOM 23 HG23 THR A 2 8.050 1.173 -0.346 1.00 0.00 H
ATOM 24 OG1 THR A 2 7.732 3.795 -2.411 1.00 0.00 O
ATOM 25 HG1 THR A 2 8.077 3.347 -3.187 1.00 0.00 H
ATOM 26 C THR A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 27 O THR A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 28 OXT THR A 2 9.443 5.319 0.037 1.00 0.00 O
TER 29 THR A 2
END
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