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REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04
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 1.443 -0.986 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.496 1.311 0.839 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 ARG A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ARG A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ARG A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ARG A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ARG A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 ARG A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 ARG A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG ARG A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 ARG A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 ARG A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 CD ARG A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 24 HD2 ARG A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 25 HD3 ARG A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 26 NE ARG A 2 11.742 2.439 -2.424 1.00 0.00 N
ATOM 27 HE ARG A 2 12.223 2.883 -1.655 1.00 0.00 H
ATOM 28 CZ ARG A 2 12.469 1.882 -3.389 1.00 0.00 C
ATOM 29 NH1 ARG A 2 11.909 1.279 -4.434 1.00 0.00 N
ATOM 30 HH11 ARG A 2 10.902 1.235 -4.509 1.00 0.00 H
ATOM 31 HH12 ARG A 2 12.492 0.866 -5.148 1.00 0.00 H
ATOM 32 NH2 ARG A 2 13.793 1.941 -3.287 1.00 0.00 N
ATOM 33 HH21 ARG A 2 14.215 2.400 -2.492 1.00 0.00 H
ATOM 34 HH22 ARG A 2 14.371 1.527 -4.004 1.00 0.00 H
ATOM 35 C ARG A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 36 O ARG A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 37 OXT ARG A 2 9.439 5.324 0.075 1.00 0.00 O
TER 38 ARG A 2
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