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REMARK 1 CREATED WITH OPENMM 7.7, 2022-04-23
HETATM 1 H1 ACE A 1 2.000 1.000 0.000 1.00 0.00 H
HETATM 2 CH3 ACE A 1 2.000 2.090 0.000 1.00 0.00 C
HETATM 3 H2 ACE A 1 1.486 2.454 0.890 1.00 0.00 H
HETATM 4 H3 ACE A 1 1.486 2.454 -0.890 1.00 0.00 H
HETATM 5 C ACE A 1 3.427 2.641 0.000 1.00 0.00 C
HETATM 6 O ACE A 1 4.391 1.877 0.000 1.00 0.00 O
ATOM 7 N ALA A 2 3.555 3.970 0.000 1.00 0.00 N
ATOM 8 H ALA A 2 2.733 4.556 0.000 1.00 0.00 H
ATOM 9 CA ALA A 2 4.853 4.614 0.000 1.00 0.00 C
ATOM 10 HA ALA A 2 5.408 4.316 0.890 1.00 0.00 H
ATOM 11 CB ALA A 2 5.661 4.221 -1.232 1.00 0.00 C
ATOM 12 HB1 ALA A 2 5.123 4.521 -2.131 1.00 0.00 H
ATOM 13 HB2 ALA A 2 6.630 4.719 -1.206 1.00 0.00 H
ATOM 14 HB3 ALA A 2 5.809 3.141 -1.241 1.00 0.00 H
ATOM 15 C ALA A 2 4.713 6.129 0.000 1.00 0.00 C
ATOM 16 O ALA A 2 3.601 6.653 0.000 1.00 0.00 O
HETATM 17 N NME A 3 5.846 6.835 0.000 1.00 0.00 N
HETATM 18 H NME A 3 6.737 6.359 0.000 1.00 0.00 H
HETATM 19 C NME A 3 5.846 8.284 0.000 1.00 0.00 C
HETATM 20 H1 NME A 3 4.819 8.648 0.000 1.00 0.00 H
HETATM 21 H2 NME A 3 6.360 8.648 0.890 1.00 0.00 H
HETATM 22 H3 NME A 3 6.360 8.648 -0.890 1.00 0.00 H
TER 23 NME A 3
CONECT 1 2 2
CONECT 2 5 1 3
CONECT 2 1 5 3 4
CONECT 3 2 2
CONECT 4 2 2
CONECT 5 2 6 7
CONECT 5 6 7
CONECT 6 5 5
CONECT 7 5 5
CONECT 15 17 17
CONECT 17 15 19 18
CONECT 17 19 18
CONECT 18 17 17
CONECT 19 20 21 22
CONECT 19 17 20 21 22
CONECT 20 19 19
CONECT 21 19 19
CONECT 22 19 19
END
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