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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.501 1.315 0.845 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.645 1.442 -0.989 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 ASP A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ASP A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ASP A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ASP A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ASP A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 ASP A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 ASP A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG ASP A 2 9.715 3.149 -1.195 1.00 0.00 C
ATOM 21 OD1 ASP A 2 10.291 2.187 -0.620 1.00 0.00 O
ATOM 22 OD2 ASP A 2 10.291 4.128 -1.741 1.00 0.00 O
ATOM 23 C ASP A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 24 O ASP A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 25 N ASP A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 26 H ASP A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 27 CA ASP A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 28 HA ASP A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 29 CB ASP A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 30 HB2 ASP A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 31 HB3 ASP A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 32 CG ASP A 3 10.466 8.850 1.195 1.00 0.00 C
ATOM 33 OD1 ASP A 3 9.860 9.794 0.620 1.00 0.00 O
ATOM 34 OD2 ASP A 3 11.599 8.930 1.741 1.00 0.00 O
ATOM 35 C ASP A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 36 O ASP A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 37 N ARG A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 38 H ARG A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 39 CA ARG A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 40 HA ARG A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 41 CB ARG A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 42 HB2 ARG A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 43 HB3 ARG A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 44 CG ARG A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 45 HG2 ARG A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 46 HG3 ARG A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 47 CD ARG A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 48 HD2 ARG A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 49 HD3 ARG A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 50 NE ARG A 4 17.933 6.277 -2.425 1.00 0.00 N
ATOM 51 HE ARG A 4 18.414 6.722 -1.655 1.00 0.00 H
ATOM 52 CZ ARG A 4 18.660 5.720 -3.389 1.00 0.00 C
ATOM 53 NH1 ARG A 4 18.100 5.117 -4.434 1.00 0.00 N
ATOM 54 HH11 ARG A 4 17.093 5.074 -4.509 1.00 0.00 H
ATOM 55 HH12 ARG A 4 18.683 4.705 -5.148 1.00 0.00 H
ATOM 56 NH2 ARG A 4 19.984 5.779 -3.287 1.00 0.00 N
ATOM 57 HH21 ARG A 4 20.406 6.238 -2.492 1.00 0.00 H
ATOM 58 HH22 ARG A 4 20.562 5.365 -4.004 1.00 0.00 H
ATOM 59 C ARG A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 60 O ARG A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 61 OXT ARG A 4 15.666 9.055 0.047 1.00 0.00 O
TER 62 ARG A 4
END
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