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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-01
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.494 1.314 0.838 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.633 1.451 -0.982 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 ASP A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ASP A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ASP A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ASP A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ASP A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 ASP A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 ASP A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG ASP A 2 9.715 3.149 -1.195 1.00 0.00 C
ATOM 21 OD1 ASP A 2 10.291 2.187 -0.620 1.00 0.00 O
ATOM 22 OD2 ASP A 2 10.291 4.128 -1.741 1.00 0.00 O
ATOM 23 C ASP A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 24 O ASP A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 25 N VAL A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 26 H VAL A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 27 CA VAL A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 28 HA VAL A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 29 CB VAL A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 30 HB VAL A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 31 CG1 VAL A 3 10.189 6.739 2.490 1.00 0.00 C
ATOM 32 HG11 VAL A 3 11.269 6.592 2.481 1.00 0.00 H
ATOM 33 HG12 VAL A 3 9.908 7.316 3.371 1.00 0.00 H
ATOM 34 HG13 VAL A 3 9.691 5.770 2.517 1.00 0.00 H
ATOM 35 CG2 VAL A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 36 HG21 VAL A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 37 HG22 VAL A 3 10.185 9.426 2.075 1.00 0.00 H
ATOM 38 HG23 VAL A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 39 C VAL A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 40 O VAL A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 41 N PHE A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 42 H PHE A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 43 CA PHE A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 44 HA PHE A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 45 CB PHE A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 46 HB2 PHE A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 47 HB3 PHE A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 48 CG PHE A 4 15.887 6.914 -1.321 1.00 0.00 C
ATOM 49 CD1 PHE A 4 16.502 6.286 -2.410 1.00 0.00 C
ATOM 50 HD1 PHE A 4 15.894 5.833 -3.193 1.00 0.00 H
ATOM 51 CE1 PHE A 4 17.899 6.238 -2.492 1.00 0.00 C
ATOM 52 HE1 PHE A 4 18.379 5.749 -3.340 1.00 0.00 H
ATOM 53 CZ PHE A 4 18.680 6.819 -1.486 1.00 0.00 C
ATOM 54 HZ PHE A 4 19.768 6.782 -1.550 1.00 0.00 H
ATOM 55 CE2 PHE A 4 18.064 7.448 -0.397 1.00 0.00 C
ATOM 56 HE2 PHE A 4 18.672 7.900 0.386 1.00 0.00 H
ATOM 57 CD2 PHE A 4 16.667 7.495 -0.315 1.00 0.00 C
ATOM 58 HD2 PHE A 4 16.188 7.985 0.533 1.00 0.00 H
ATOM 59 C PHE A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 60 O PHE A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 61 OXT PHE A 4 15.661 9.063 0.074 1.00 0.00 O
TER 62 PHE A 4
END
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