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dipeptide_nowater.pdb
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REMARK 1 CREATED WITH OPENMM 7.6, 2021-11-05
CRYST1 34.224 39.133 33.011 90.00 90.00 90.00 P 1 1
HETATM 1 HH31 ACE A 1 16.548 15.057 17.037 1.00 0.00 H
HETATM 2 CH3 ACE A 1 16.003 15.960 16.763 1.00 0.00 C
HETATM 3 HH32 ACE A 1 15.137 15.987 17.425 1.00 0.00 H
HETATM 4 HH33 ACE A 1 16.000 16.042 15.676 1.00 0.00 H
HETATM 5 C ACE A 1 16.745 17.229 17.149 1.00 0.00 C
HETATM 6 O ACE A 1 17.845 17.104 17.750 1.00 0.00 O
ATOM 7 N ALA A 2 16.324 18.333 16.582 1.00 0.00 N
ATOM 8 H ALA A 2 15.385 18.357 16.213 1.00 0.00 H
ATOM 9 CA ALA A 2 17.074 19.555 16.665 1.00 0.00 C
ATOM 10 HA ALA A 2 17.250 19.742 17.725 1.00 0.00 H
ATOM 11 CB ALA A 2 18.392 19.541 15.893 1.00 0.00 C
ATOM 12 HB1 ALA A 2 18.071 19.476 14.854 1.00 0.00 H
ATOM 13 HB2 ALA A 2 18.926 20.477 16.059 1.00 0.00 H
ATOM 14 HB3 ALA A 2 19.041 18.750 16.270 1.00 0.00 H
ATOM 15 C ALA A 2 16.135 20.774 16.356 1.00 0.00 C
ATOM 16 O ALA A 2 15.200 20.621 15.614 1.00 0.00 O
HETATM 17 N NME A 3 16.567 22.016 16.783 1.00 0.00 N
HETATM 18 H NME A 3 17.473 22.130 17.214 1.00 0.00 H
HETATM 19 CH3 NME A 3 15.941 23.320 16.599 1.00 0.00 C
HETATM 20 HH31 NME A 3 14.862 23.237 16.466 1.00 0.00 H
HETATM 21 HH32 NME A 3 16.109 23.973 17.455 1.00 0.00 H
HETATM 22 HH33 NME A 3 16.354 23.845 15.738 1.00 0.00 H
CONECT 1 2
CONECT 2 3 4 1 5
CONECT 3 2
CONECT 4 2
CONECT 5 6 7 2
CONECT 6 5
CONECT 7 5
CONECT 15 17
CONECT 17 18 15 19
CONECT 18 17
CONECT 19 20 21 22 17
CONECT 20 19
CONECT 21 19
CONECT 22 19
END