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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.469 0.687 -0.183 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.294 2.176 -0.075 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 PHE A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H PHE A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA PHE A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA PHE A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB PHE A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 PHE A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 PHE A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG PHE A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 21 CD1 PHE A 2 10.311 2.447 -2.410 1.00 0.00 C
ATOM 22 HD1 PHE A 2 9.703 1.995 -3.193 1.00 0.00 H
ATOM 23 CE1 PHE A 2 11.708 2.400 -2.492 1.00 0.00 C
ATOM 24 HE1 PHE A 2 12.188 1.910 -3.340 1.00 0.00 H
ATOM 25 CZ PHE A 2 12.489 2.981 -1.486 1.00 0.00 C
ATOM 26 HZ PHE A 2 13.576 2.944 -1.550 1.00 0.00 H
ATOM 27 CE2 PHE A 2 11.873 3.609 -0.397 1.00 0.00 C
ATOM 28 HE2 PHE A 2 12.481 4.062 0.386 1.00 0.00 H
ATOM 29 CD2 PHE A 2 10.476 3.657 -0.315 1.00 0.00 C
ATOM 30 HD2 PHE A 2 9.997 4.146 0.533 1.00 0.00 H
ATOM 31 C PHE A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 32 O PHE A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 33 N ASP A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 34 H ASP A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 35 CA ASP A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 36 HA ASP A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 37 CB ASP A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 38 HB2 ASP A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 39 HB3 ASP A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 40 CG ASP A 3 10.466 8.850 1.195 1.00 0.00 C
ATOM 41 OD1 ASP A 3 9.860 9.794 0.620 1.00 0.00 O
ATOM 42 OD2 ASP A 3 11.599 8.930 1.741 1.00 0.00 O
ATOM 43 C ASP A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 44 O ASP A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 45 N VAL A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 46 H VAL A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 47 CA VAL A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 48 HA VAL A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 49 CB VAL A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 50 HB VAL A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 51 CG1 VAL A 4 13.892 7.678 -2.490 1.00 0.00 C
ATOM 52 HG11 VAL A 4 14.241 8.710 -2.481 1.00 0.00 H
ATOM 53 HG12 VAL A 4 14.284 7.170 -3.371 1.00 0.00 H
ATOM 54 HG13 VAL A 4 12.803 7.662 -2.517 1.00 0.00 H
ATOM 55 CG2 VAL A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 56 HG21 VAL A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 57 HG22 VAL A 4 16.297 6.479 -2.075 1.00 0.00 H
ATOM 58 HG23 VAL A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 59 C VAL A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 60 O VAL A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 61 OXT VAL A 4 15.667 9.055 0.046 1.00 0.00 O
TER 62 VAL A 4
END
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