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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-18
ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 CYS A 1 2.498 1.313 0.842 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.641 1.450 -0.987 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 MET A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H MET A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA MET A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA MET A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB MET A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB2 MET A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 HB3 MET A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 21 CG MET A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 22 HG2 MET A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 23 HG3 MET A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 24 SD MET A 2 10.381 2.308 -2.652 1.00 0.00 S
ATOM 25 CE MET A 2 12.124 2.487 -2.341 1.00 0.00 C
ATOM 26 HE1 MET A 2 12.377 2.005 -1.397 1.00 0.00 H
ATOM 27 HE2 MET A 2 12.688 2.021 -3.149 1.00 0.00 H
ATOM 28 HE3 MET A 2 12.377 3.546 -2.287 1.00 0.00 H
ATOM 29 C MET A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 30 O MET A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 31 N SER A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 32 H SER A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 33 CA SER A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 34 HA SER A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 35 CB SER A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 36 HB2 SER A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 37 HB3 SER A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 38 OG SER A 3 10.422 8.764 1.197 1.00 0.00 O
ATOM 39 HG SER A 3 10.174 9.272 1.973 1.00 0.00 H
ATOM 40 C SER A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 41 O SER A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 42 N THR A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 43 H THR A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 44 CA THR A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 45 HA THR A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 46 CB THR A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 47 HB THR A 4 15.470 6.981 -1.206 1.00 0.00 H
ATOM 48 CG2 THR A 4 13.892 5.521 -1.244 1.00 0.00 C
ATOM 49 HG21 THR A 4 12.803 5.505 -1.271 1.00 0.00 H
ATOM 50 HG22 THR A 4 14.284 5.012 -2.125 1.00 0.00 H
ATOM 51 HG23 THR A 4 14.241 5.012 -0.346 1.00 0.00 H
ATOM 52 OG1 THR A 4 13.923 7.633 -2.411 1.00 0.00 O
ATOM 53 HG1 THR A 4 14.268 7.185 -3.187 1.00 0.00 H
ATOM 54 C THR A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 55 O THR A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 56 OXT THR A 4 15.667 9.040 0.033 1.00 0.00 O
TER 57 THR A 4
END
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