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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.493 1.314 0.837 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.646 1.446 -0.990 1.00 0.00 H
ATOM 4 H ALA A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA ALA A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA ALA A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB ALA A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB1 ALA A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 9 HB2 ALA A 1 4.075 4.623 1.206 1.00 0.00 H
ATOM 10 HB3 ALA A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 11 C ALA A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 12 O ALA A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 13 N CYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H CYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA CYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA CYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB CYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 CYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 CYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 SG CYS A 2 9.992 3.050 -1.366 1.00 0.00 S
ATOM 21 HG CYS A 2 10.018 2.385 -2.518 1.00 0.00 H
ATOM 22 C CYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 23 O CYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 24 N ILE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 25 H ILE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 26 CA ILE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 27 HA ILE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 28 CB ILE A 3 9.743 7.459 1.245 1.00 0.00 C
ATOM 29 HB ILE A 3 8.661 7.591 1.246 1.00 0.00 H
ATOM 30 CG2 ILE A 3 10.161 6.684 2.490 1.00 0.00 C
ATOM 31 HG21 ILE A 3 11.243 6.553 2.491 1.00 0.00 H
ATOM 32 HG22 ILE A 3 9.863 7.238 3.381 1.00 0.00 H
ATOM 33 HG23 ILE A 3 9.677 5.708 2.491 1.00 0.00 H
ATOM 34 CG1 ILE A 3 10.421 8.825 1.245 1.00 0.00 C
ATOM 35 HG12 ILE A 3 11.503 8.694 1.245 1.00 0.00 H
ATOM 36 HG13 ILE A 3 10.123 9.380 0.355 1.00 0.00 H
ATOM 37 CD1 ILE A 3 10.003 9.600 2.490 1.00 0.00 C
ATOM 38 HD11 ILE A 3 10.302 9.047 3.381 1.00 0.00 H
ATOM 39 HD12 ILE A 3 10.488 10.577 2.491 1.00 0.00 H
ATOM 40 HD13 ILE A 3 8.921 9.732 2.491 1.00 0.00 H
ATOM 41 C ILE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 42 O ILE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 43 N SER A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 44 H SER A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 45 CA SER A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 46 HA SER A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 47 CB SER A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 48 HB2 SER A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 49 HB3 SER A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 50 OG SER A 4 15.809 6.986 -1.197 1.00 0.00 O
ATOM 51 HG SER A 4 16.155 6.538 -1.973 1.00 0.00 H
ATOM 52 C SER A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 53 O SER A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 54 OXT SER A 4 15.666 9.049 0.042 1.00 0.00 O
TER 55 SER A 4
END
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