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REMARK 1 CREATED WITH OPENMM 7.1.1, 2017-09-12
CRYST1 25.580 25.580 25.580 90.00 90.00 90.00 P 1 1
HETATM 1 H1 ACE A 1 19.745 3.573 20.603 1.00 0.00 H
HETATM 2 CH3 ACE A 1 18.882 3.072 21.040 1.00 0.00 C
HETATM 3 H2 ACE A 1 19.299 2.583 21.920 1.00 0.00 H
HETATM 4 H3 ACE A 1 18.428 2.368 20.342 1.00 0.00 H
HETATM 5 C ACE A 1 17.901 4.069 21.635 1.00 0.00 C
HETATM 6 O ACE A 1 16.732 3.819 21.870 1.00 0.00 O
ATOM 7 N ALA A 2 18.376 5.305 21.721 1.00 0.00 N
ATOM 8 H ALA A 2 19.385 5.264 21.729 1.00 0.00 H
ATOM 9 CA ALA A 2 17.741 6.537 22.185 1.00 0.00 C
ATOM 10 HA ALA A 2 16.674 6.456 21.975 1.00 0.00 H
ATOM 11 CB ALA A 2 18.128 6.686 23.697 1.00 0.00 C
ATOM 12 HB1 ALA A 2 17.646 7.564 24.127 1.00 0.00 H
ATOM 13 HB2 ALA A 2 19.202 6.812 23.836 1.00 0.00 H
ATOM 14 HB3 ALA A 2 17.804 5.840 24.302 1.00 0.00 H
ATOM 15 C ALA A 2 18.239 7.806 21.423 1.00 0.00 C
ATOM 16 O ALA A 2 19.120 7.699 20.619 1.00 0.00 O
HETATM 17 N NME A 3 17.667 8.950 21.653 1.00 0.00 N
HETATM 18 H NME A 3 16.917 8.869 22.326 1.00 0.00 H
HETATM 19 C NME A 3 17.764 10.096 20.832 1.00 0.00 C
HETATM 20 H1 NME A 3 16.789 10.514 20.583 1.00 0.00 H
HETATM 21 H2 NME A 3 18.366 10.885 21.283 1.00 0.00 H
HETATM 22 H3 NME A 3 18.270 9.740 19.934 1.00 0.00 H
TER 23 NME A 3
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 15 17
CONECT 17 15 19 18
CONECT 18 17
CONECT 19 20 21 22 17
CONECT 20 19
CONECT 21 19
CONECT 22 19
END
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