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REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-21
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.494 1.316 0.839 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.641 1.445 -0.986 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 N HIS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 38 H HIS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 39 CA HIS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 40 HA HIS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 41 CB HIS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 42 HB2 HIS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 43 HB3 HIS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 44 CG HIS A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 45 ND1 HIS A 3 10.134 9.724 2.383 1.00 0.00 N
ATOM 46 CE1 HIS A 3 10.815 10.836 2.183 1.00 0.00 C
ATOM 47 HE1 HIS A 3 10.754 11.650 2.905 1.00 0.00 H
ATOM 48 NE2 HIS A 3 11.485 10.730 1.062 1.00 0.00 N
ATOM 49 HE2 HIS A 3 12.087 11.444 0.677 1.00 0.00 H
ATOM 50 CD2 HIS A 3 11.250 9.517 0.492 1.00 0.00 C
ATOM 51 HD2 HIS A 3 11.729 9.256 -0.451 1.00 0.00 H
ATOM 52 C HIS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 53 O HIS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 54 N LYS A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 55 H LYS A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 56 CA LYS A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 57 HA LYS A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 58 CB LYS A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 59 HB2 LYS A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 60 HB3 LYS A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 61 CG LYS A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 62 HG2 LYS A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 63 HG3 LYS A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 64 CD LYS A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 65 HD2 LYS A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 66 HD3 LYS A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 67 CE LYS A 4 17.978 6.298 -2.389 1.00 0.00 C
ATOM 68 HE2 LYS A 4 18.327 7.330 -2.380 1.00 0.00 H
ATOM 69 HE3 LYS A 4 18.327 5.789 -1.491 1.00 0.00 H
ATOM 70 NZ LYS A 4 18.507 5.612 -3.577 1.00 0.00 N
ATOM 71 HZ1 LYS A 4 18.184 6.084 -4.410 1.00 0.00 H
ATOM 72 HZ2 LYS A 4 19.517 5.626 -3.552 1.00 0.00 H
ATOM 73 HZ3 LYS A 4 18.184 4.655 -3.585 1.00 0.00 H
ATOM 74 C LYS A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 75 O LYS A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 76 OXT LYS A 4 15.666 9.055 0.027 1.00 0.00 O
TER 77 LYS A 4
END
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