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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 2.496 1.314 0.840 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.643 1.448 -0.988 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 GLU A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H GLU A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA GLU A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA GLU A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB GLU A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB2 GLU A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 HB3 GLU A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 21 CG GLU A 2 9.698 3.149 -1.195 1.00 0.00 C
ATOM 22 HG2 GLU A 2 10.047 4.181 -1.186 1.00 0.00 H
ATOM 23 HG3 GLU A 2 10.047 2.640 -0.296 1.00 0.00 H
ATOM 24 CD GLU A 2 10.248 2.436 -2.429 1.00 0.00 C
ATOM 25 OE1 GLU A 2 10.455 3.138 -3.454 1.00 0.00 O
ATOM 26 OE2 GLU A 2 10.455 1.197 -2.334 1.00 0.00 O
ATOM 27 C GLU A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 28 O GLU A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 29 OXT GLU A 2 9.440 5.326 0.071 1.00 0.00 O
TER 30 GLU A 2
END
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