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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-21
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.495 1.311 0.839 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.641 1.446 -0.986 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 TYR A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 28 H TYR A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 29 CA TYR A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 30 HA TYR A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 31 CB TYR A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 32 HB2 TYR A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 33 HB3 TYR A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 34 CG TYR A 3 10.458 8.835 1.195 1.00 0.00 C
ATOM 35 CD1 TYR A 3 10.251 9.757 2.227 1.00 0.00 C
ATOM 36 HD1 TYR A 3 9.591 9.507 3.058 1.00 0.00 H
ATOM 37 CE1 TYR A 3 10.891 11.002 2.193 1.00 0.00 C
ATOM 38 HE1 TYR A 3 10.730 11.720 2.997 1.00 0.00 H
ATOM 39 CZ TYR A 3 11.738 11.324 1.126 1.00 0.00 C
ATOM 40 OH TYR A 3 12.360 12.533 1.092 1.00 0.00 O
ATOM 41 HH TYR A 3 12.147 13.086 1.848 1.00 0.00 H
ATOM 42 CE2 TYR A 3 11.946 10.401 0.094 1.00 0.00 C
ATOM 43 HE2 TYR A 3 12.606 10.652 -0.737 1.00 0.00 H
ATOM 44 CD2 TYR A 3 11.306 9.157 0.128 1.00 0.00 C
ATOM 45 HD2 TYR A 3 11.467 8.439 -0.676 1.00 0.00 H
ATOM 46 C TYR A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 47 O TYR A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 48 N THR A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 49 H THR A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 50 CA THR A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 51 HA THR A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 52 CB THR A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 53 HB THR A 4 15.470 6.981 -1.206 1.00 0.00 H
ATOM 54 CG2 THR A 4 13.892 5.521 -1.244 1.00 0.00 C
ATOM 55 HG21 THR A 4 12.803 5.505 -1.271 1.00 0.00 H
ATOM 56 HG22 THR A 4 14.284 5.012 -2.125 1.00 0.00 H
ATOM 57 HG23 THR A 4 14.241 5.012 -0.346 1.00 0.00 H
ATOM 58 OG1 THR A 4 13.923 7.633 -2.411 1.00 0.00 O
ATOM 59 HG1 THR A 4 14.268 7.185 -3.187 1.00 0.00 H
ATOM 60 C THR A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 61 O THR A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 62 OXT THR A 4 15.668 9.040 -0.005 1.00 0.00 O
TER 63 THR A 4
END
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