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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.641 1.445 -0.986 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.491 1.314 0.836 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 ALA A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ALA A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ALA A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ALA A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ALA A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB1 ALA A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 19 HB2 ALA A 2 9.279 3.142 -1.206 1.00 0.00 H
ATOM 20 HB3 ALA A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 21 C ALA A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 22 O ALA A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 23 N TYR A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 24 H TYR A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 25 CA TYR A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 26 HA TYR A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 27 CB TYR A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 28 HB2 TYR A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 29 HB3 TYR A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 30 CG TYR A 3 10.458 8.835 1.195 1.00 0.00 C
ATOM 31 CD1 TYR A 3 10.251 9.757 2.227 1.00 0.00 C
ATOM 32 HD1 TYR A 3 9.591 9.507 3.058 1.00 0.00 H
ATOM 33 CE1 TYR A 3 10.891 11.002 2.193 1.00 0.00 C
ATOM 34 HE1 TYR A 3 10.730 11.720 2.997 1.00 0.00 H
ATOM 35 CZ TYR A 3 11.738 11.324 1.126 1.00 0.00 C
ATOM 36 OH TYR A 3 12.360 12.533 1.092 1.00 0.00 O
ATOM 37 HH TYR A 3 12.147 13.086 1.848 1.00 0.00 H
ATOM 38 CE2 TYR A 3 11.946 10.401 0.094 1.00 0.00 C
ATOM 39 HE2 TYR A 3 12.606 10.652 -0.737 1.00 0.00 H
ATOM 40 CD2 TYR A 3 11.306 9.157 0.128 1.00 0.00 C
ATOM 41 HD2 TYR A 3 11.467 8.439 -0.676 1.00 0.00 H
ATOM 42 C TYR A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 43 O TYR A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 44 N PRO A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 45 CD PRO A 4 11.738 8.985 0.000 1.00 0.00 C
ATOM 46 HD2 PRO A 4 11.431 9.240 1.014 1.00 0.00 H
ATOM 47 HD3 PRO A 4 10.863 8.960 -0.649 1.00 0.00 H
ATOM 48 CG PRO A 4 12.811 9.895 -0.522 1.00 0.00 C
ATOM 49 HG2 PRO A 4 12.767 10.842 0.016 1.00 0.00 H
ATOM 50 HG3 PRO A 4 12.661 10.076 -1.586 1.00 0.00 H
ATOM 51 CB PRO A 4 14.118 9.181 -0.276 1.00 0.00 C
ATOM 52 HB2 PRO A 4 14.615 9.628 0.586 1.00 0.00 H
ATOM 53 HB3 PRO A 4 14.755 9.283 -1.155 1.00 0.00 H
ATOM 54 CA PRO A 4 13.833 7.677 0.000 1.00 0.00 C
ATOM 55 HA PRO A 4 14.231 7.182 -0.886 1.00 0.00 H
ATOM 56 C PRO A 4 14.380 6.999 1.248 1.00 0.00 C
ATOM 57 O PRO A 4 13.617 6.486 2.064 1.00 0.00 O
ATOM 58 OXT PRO A 4 15.667 7.076 1.225 1.00 0.00 O
TER 59 PRO A 4
END
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