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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-18
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.632 1.445 -0.980 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.503 1.309 0.846 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 TYR A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H TYR A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA TYR A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA TYR A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB TYR A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 TYR A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 TYR A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG TYR A 2 9.698 3.149 -1.195 1.00 0.00 C
ATOM 21 CD1 TYR A 2 10.433 2.553 -2.227 1.00 0.00 C
ATOM 22 HD1 TYR A 2 9.915 2.073 -3.058 1.00 0.00 H
ATOM 23 CE1 TYR A 2 11.832 2.573 -2.193 1.00 0.00 C
ATOM 24 HE1 TYR A 2 12.404 2.109 -2.997 1.00 0.00 H
ATOM 25 CZ TYR A 2 12.497 3.189 -1.126 1.00 0.00 C
ATOM 26 OH TYR A 2 13.857 3.208 -1.092 1.00 0.00 O
ATOM 27 HH TYR A 2 14.257 2.772 -1.848 1.00 0.00 H
ATOM 28 CE2 TYR A 2 11.763 3.785 -0.094 1.00 0.00 C
ATOM 29 HE2 TYR A 2 12.281 4.264 0.737 1.00 0.00 H
ATOM 30 CD2 TYR A 2 10.364 3.765 -0.128 1.00 0.00 C
ATOM 31 HD2 TYR A 2 9.792 4.229 0.676 1.00 0.00 H
ATOM 32 C TYR A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 33 O TYR A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 34 N THR A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 35 H THR A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 36 CA THR A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 37 HA THR A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 38 CB THR A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 39 HB THR A 3 10.266 8.462 1.206 1.00 0.00 H
ATOM 40 CG2 THR A 3 8.257 7.698 1.244 1.00 0.00 C
ATOM 41 HG21 THR A 3 7.758 6.729 1.271 1.00 0.00 H
ATOM 42 HG22 THR A 3 7.975 8.276 2.125 1.00 0.00 H
ATOM 43 HG23 THR A 3 7.956 8.236 0.346 1.00 0.00 H
ATOM 44 OG1 THR A 3 10.163 6.786 2.411 1.00 0.00 O
ATOM 45 HG1 THR A 3 9.915 7.295 3.187 1.00 0.00 H
ATOM 46 C THR A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 47 O THR A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 48 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 49 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 50 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 51 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 52 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H
ATOM 53 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C
ATOM 54 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O
ATOM 55 OXT GLY A 4 15.647 9.042 -0.001 1.00 0.00 O
TER 56 GLY A 4
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