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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-14
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.649 1.445 -0.992 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.490 1.306 0.832 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 PRO A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 CD PRO A 2 5.547 5.147 0.000 1.00 0.00 C
ATOM 15 HD2 PRO A 2 5.240 5.401 1.014 1.00 0.00 H
ATOM 16 HD3 PRO A 2 4.672 5.121 -0.649 1.00 0.00 H
ATOM 17 CG PRO A 2 6.620 6.056 -0.522 1.00 0.00 C
ATOM 18 HG2 PRO A 2 6.576 7.003 0.016 1.00 0.00 H
ATOM 19 HG3 PRO A 2 6.470 6.237 -1.586 1.00 0.00 H
ATOM 20 CB PRO A 2 7.927 5.342 -0.276 1.00 0.00 C
ATOM 21 HB2 PRO A 2 8.424 5.789 0.586 1.00 0.00 H
ATOM 22 HB3 PRO A 2 8.564 5.445 -1.155 1.00 0.00 H
ATOM 23 CA PRO A 2 7.642 3.839 0.000 1.00 0.00 C
ATOM 24 HA PRO A 2 8.040 3.343 -0.886 1.00 0.00 H
ATOM 25 C PRO A 2 8.189 3.161 1.248 1.00 0.00 C
ATOM 26 O PRO A 2 7.426 2.647 2.064 1.00 0.00 O
ATOM 27 N ASP A 3 9.515 3.161 1.396 1.00 0.00 N
ATOM 28 H ASP A 3 10.101 3.596 0.698 1.00 0.00 H
ATOM 29 CA ASP A 3 10.158 2.548 2.541 1.00 0.00 C
ATOM 30 HA ASP A 3 9.811 3.031 3.455 1.00 0.00 H
ATOM 31 CB ASP A 3 9.833 1.060 2.622 1.00 0.00 C
ATOM 32 HB2 ASP A 3 8.755 0.928 2.716 1.00 0.00 H
ATOM 33 HB3 ASP A 3 10.183 0.562 1.718 1.00 0.00 H
ATOM 34 CG ASP A 3 10.528 0.453 3.839 1.00 0.00 C
ATOM 35 OD1 ASP A 3 9.891 0.455 4.926 1.00 0.00 O
ATOM 36 OD2 ASP A 3 11.689 -0.006 3.670 1.00 0.00 O
ATOM 37 C ASP A 3 11.671 2.690 2.461 1.00 0.00 C
ATOM 38 O ASP A 3 12.194 3.267 1.510 1.00 0.00 O
ATOM 39 N ALA A 4 12.375 2.162 3.465 1.00 0.00 N
ATOM 40 H ALA A 4 11.900 1.698 4.226 1.00 0.00 H
ATOM 41 CA ALA A 4 13.822 2.231 3.505 1.00 0.00 C
ATOM 42 HA ALA A 4 14.235 1.732 2.629 1.00 0.00 H
ATOM 43 CB ALA A 4 14.303 3.679 3.512 1.00 0.00 C
ATOM 44 HB1 ALA A 4 13.905 4.190 4.389 1.00 0.00 H
ATOM 45 HB2 ALA A 4 15.392 3.700 3.543 1.00 0.00 H
ATOM 46 HB3 ALA A 4 13.955 4.182 2.610 1.00 0.00 H
ATOM 47 C ALA A 4 14.369 1.554 4.754 1.00 0.00 C
ATOM 48 O ALA A 4 13.606 1.040 5.569 1.00 0.00 O
ATOM 49 OXT ALA A 4 15.654 1.643 4.736 1.00 0.00 O
TER 50 ALA A 4
END
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