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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 2.496 1.307 0.838 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.641 1.455 -0.987 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 ASN A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ASN A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ASN A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ASN A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ASN A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 ASN A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 ASN A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG ASN A 2 9.711 3.127 -1.232 1.00 0.00 C
ATOM 21 OD1 ASN A 2 10.335 3.657 -0.315 1.00 0.00 O
ATOM 22 ND2 ASN A 2 10.309 2.530 -2.266 1.00 0.00 N
ATOM 23 HD21 ASN A 2 11.317 2.502 -2.315 1.00 0.00 H
ATOM 24 HD22 ASN A 2 9.750 2.110 -2.994 1.00 0.00 H
ATOM 25 C ASN A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 26 O ASN A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 27 N PHE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 28 H PHE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 29 CA PHE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 30 HA PHE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 31 CB PHE A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 32 HB2 PHE A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 33 HB3 PHE A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 34 CG PHE A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 35 CD1 PHE A 3 10.103 9.696 2.410 1.00 0.00 C
ATOM 36 HD1 PHE A 3 9.427 9.352 3.193 1.00 0.00 H
ATOM 37 CE1 PHE A 3 10.681 10.968 2.492 1.00 0.00 C
ATOM 38 HE1 PHE A 3 10.456 11.615 3.340 1.00 0.00 H
ATOM 39 CZ PHE A 3 11.549 11.409 1.486 1.00 0.00 C
ATOM 40 HZ PHE A 3 11.999 12.400 1.550 1.00 0.00 H
ATOM 41 CE2 PHE A 3 11.838 10.578 0.397 1.00 0.00 C
ATOM 42 HE2 PHE A 3 12.513 10.921 -0.386 1.00 0.00 H
ATOM 43 CD2 PHE A 3 11.259 9.306 0.315 1.00 0.00 C
ATOM 44 HD2 PHE A 3 11.485 8.659 -0.533 1.00 0.00 H
ATOM 45 C PHE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 46 O PHE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 47 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 48 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 49 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 50 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 51 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H
ATOM 52 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C
ATOM 53 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O
ATOM 54 OXT GLY A 4 15.647 9.043 -0.040 1.00 0.00 O
TER 55 GLY A 4
END
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