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REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04 |
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ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N |
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ATOM 2 H2 CYS A 1 2.640 1.450 -0.986 1.00 0.00 H |
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ATOM 3 H3 CYS A 1 2.496 1.313 0.840 1.00 0.00 H |
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ATOM 4 H CYS A 1 3.909 0.724 0.000 1.00 0.00 H |
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ATOM 5 CA CYS A 1 3.970 2.846 0.000 1.00 0.00 C |
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ATOM 6 HA CYS A 1 3.672 3.400 -0.890 1.00 0.00 H |
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ATOM 7 CB CYS A 1 3.577 3.654 1.232 1.00 0.00 C |
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ATOM 8 HB2 CYS A 1 2.497 3.801 1.241 1.00 0.00 H |
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ATOM 9 HB3 CYS A 1 3.877 3.116 2.131 1.00 0.00 H |
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ATOM 10 SG CYS A 1 4.310 5.304 1.366 1.00 0.00 S |
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ATOM 11 HG CYS A 1 3.725 5.622 2.518 1.00 0.00 H |
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ATOM 12 C CYS A 1 5.486 2.705 0.000 1.00 0.00 C |
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ATOM 13 O CYS A 1 6.009 1.593 0.000 1.00 0.00 O |
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ATOM 14 N ASP A 2 6.191 3.839 0.000 1.00 0.00 N |
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ATOM 15 H ASP A 2 5.715 4.730 0.000 1.00 0.00 H |
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ATOM 16 CA ASP A 2 7.640 3.839 0.000 1.00 0.00 C |
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ATOM 17 HA ASP A 2 8.004 3.325 0.890 1.00 0.00 H |
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ATOM 18 CB ASP A 2 8.189 3.127 -1.232 1.00 0.00 C |
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ATOM 19 HB2 ASP A 2 7.841 2.094 -1.241 1.00 0.00 H |
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ATOM 20 HB3 ASP A 2 7.841 3.636 -2.131 1.00 0.00 H |
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ATOM 21 CG ASP A 2 9.715 3.149 -1.195 1.00 0.00 C |
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ATOM 22 OD1 ASP A 2 10.291 2.187 -0.620 1.00 0.00 O |
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ATOM 23 OD2 ASP A 2 10.291 4.128 -1.741 1.00 0.00 O |
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ATOM 24 C ASP A 2 8.188 5.259 0.000 1.00 0.00 C |
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ATOM 25 O ASP A 2 7.425 6.222 0.000 1.00 0.00 O |
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ATOM 26 OXT ASP A 2 9.436 5.331 0.108 1.00 0.00 O |
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TER 27 ASP A 2 |
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END |
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