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REMARK 1 CREATED WITH OPENMM 7.7, 2022-04-26
CRYST1 8.809 11.467 12.142 90.00 90.00 90.00 P 1 1
HETATM 1 H1 ACE A 1 6.516 0.749 7.689 1.00 0.00 H
HETATM 2 CH3 ACE A 1 7.221 1.579 7.740 1.00 0.00 C
HETATM 3 H2 ACE A 1 8.207 1.170 7.515 1.00 0.00 H
HETATM 4 H3 ACE A 1 7.179 1.958 8.761 1.00 0.00 H
HETATM 5 C ACE A 1 6.800 2.516 6.666 1.00 0.00 C
HETATM 6 O ACE A 1 5.885 2.196 5.959 1.00 0.00 O
ATOM 7 N PRO A 2 7.484 3.656 6.504 1.00 0.00 N
ATOM 8 CD PRO A 2 8.455 4.179 7.526 1.00 0.00 C
ATOM 9 HD3 PRO A 2 9.285 3.496 7.713 1.00 0.00 H
ATOM 10 HD2 PRO A 2 7.903 4.421 8.434 1.00 0.00 H
ATOM 11 CG PRO A 2 8.928 5.525 7.090 1.00 0.00 C
ATOM 12 HG3 PRO A 2 9.740 5.543 6.363 1.00 0.00 H
ATOM 13 HG2 PRO A 2 9.069 6.266 7.877 1.00 0.00 H
ATOM 14 CB PRO A 2 7.646 6.045 6.350 1.00 0.00 C
ATOM 15 HB3 PRO A 2 7.934 6.924 5.773 1.00 0.00 H
ATOM 16 HB2 PRO A 2 6.876 6.258 7.091 1.00 0.00 H
ATOM 17 CA PRO A 2 7.178 4.797 5.602 1.00 0.00 C
ATOM 18 HA PRO A 2 6.094 4.850 5.493 1.00 0.00 H
ATOM 19 C PRO A 2 7.875 4.708 4.219 1.00 0.00 C
ATOM 20 O PRO A 2 8.814 3.958 4.087 1.00 0.00 O
ATOM 21 N PRO A 3 7.489 5.573 3.237 1.00 0.00 N
ATOM 22 CD PRO A 3 8.282 5.702 2.058 1.00 0.00 C
ATOM 23 HD3 PRO A 3 8.218 4.815 1.427 1.00 0.00 H
ATOM 24 HD2 PRO A 3 9.316 5.763 2.399 1.00 0.00 H
ATOM 25 CG PRO A 3 7.838 7.073 1.468 1.00 0.00 C
ATOM 26 HG3 PRO A 3 7.768 7.111 0.381 1.00 0.00 H
ATOM 27 HG2 PRO A 3 8.537 7.824 1.837 1.00 0.00 H
ATOM 28 CB PRO A 3 6.454 7.383 1.939 1.00 0.00 C
ATOM 29 HB3 PRO A 3 5.666 7.087 1.246 1.00 0.00 H
ATOM 30 HB2 PRO A 3 6.339 8.457 2.089 1.00 0.00 H
ATOM 31 CA PRO A 3 6.357 6.515 3.276 1.00 0.00 C
ATOM 32 HA PRO A 3 6.640 7.188 4.086 1.00 0.00 H
ATOM 33 C PRO A 3 4.922 6.078 3.537 1.00 0.00 C
ATOM 34 O PRO A 3 4.273 6.719 4.359 1.00 0.00 O
ATOM 35 N PRO A 4 4.409 4.934 3.089 1.00 0.00 N
ATOM 36 CD PRO A 4 3.438 4.013 3.771 1.00 0.00 C
ATOM 37 HD3 PRO A 4 2.400 4.290 3.586 1.00 0.00 H
ATOM 38 HD2 PRO A 4 3.721 3.885 4.816 1.00 0.00 H
ATOM 39 CG PRO A 4 3.456 2.640 3.075 1.00 0.00 C
ATOM 40 HG3 PRO A 4 2.536 2.457 2.519 1.00 0.00 H
ATOM 41 HG2 PRO A 4 3.546 1.796 3.759 1.00 0.00 H
ATOM 42 CB PRO A 4 4.694 2.791 2.098 1.00 0.00 C
ATOM 43 HB3 PRO A 4 4.491 2.129 1.256 1.00 0.00 H
ATOM 44 HB2 PRO A 4 5.642 2.599 2.602 1.00 0.00 H
ATOM 45 CA PRO A 4 4.826 4.335 1.861 1.00 0.00 C
ATOM 46 HA PRO A 4 5.873 4.571 1.667 1.00 0.00 H
ATOM 47 C PRO A 4 3.950 4.826 0.625 1.00 0.00 C
ATOM 48 O PRO A 4 2.705 4.925 0.735 1.00 0.00 O
HETATM 49 N NME A 5 4.658 5.033 -0.525 1.00 0.00 N
HETATM 50 H NME A 5 5.656 5.169 -0.449 1.00 0.00 H
HETATM 51 C NME A 5 4.000 5.453 -1.773 1.00 0.00 C
HETATM 52 H1 NME A 5 3.794 4.646 -2.476 1.00 0.00 H
HETATM 53 H2 NME A 5 3.158 6.106 -1.545 1.00 0.00 H
HETATM 54 H3 NME A 5 4.741 6.110 -2.229 1.00 0.00 H
TER 55 NME A 5
CONECT 1 2
CONECT 2 5 1 3 4
CONECT 3 2
CONECT 4 2
CONECT 5 2 6 7
CONECT 6 5
CONECT 7 5
CONECT 47 49
CONECT 49 47 51 50
CONECT 50 49
CONECT 51 52 53 54 49
CONECT 52 51
CONECT 53 51
CONECT 54 51
END
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