File size: 2,994 Bytes
29a3abb |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 |
REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04
ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 CYS A 1 2.509 1.310 0.852 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.632 1.453 -0.981 1.00 0.00 H
ATOM 4 H CYS A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA CYS A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA CYS A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB CYS A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB2 CYS A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 9 HB3 CYS A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 10 SG CYS A 1 4.310 5.304 1.366 1.00 0.00 S
ATOM 11 HG CYS A 1 3.725 5.622 2.518 1.00 0.00 H
ATOM 12 C CYS A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 13 O CYS A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 14 N LYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H LYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA LYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA LYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB LYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB2 LYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 HB3 LYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 21 CG LYS A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 22 HG2 LYS A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 23 HG3 LYS A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 24 CD LYS A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 25 HD2 LYS A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 26 HD3 LYS A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 27 CE LYS A 2 11.787 2.459 -2.389 1.00 0.00 C
ATOM 28 HE2 LYS A 2 12.136 3.492 -2.380 1.00 0.00 H
ATOM 29 HE3 LYS A 2 12.136 1.951 -1.491 1.00 0.00 H
ATOM 30 NZ LYS A 2 12.316 1.773 -3.577 1.00 0.00 N
ATOM 31 HZ1 LYS A 2 11.993 2.245 -4.410 1.00 0.00 H
ATOM 32 HZ2 LYS A 2 13.326 1.788 -3.552 1.00 0.00 H
ATOM 33 HZ3 LYS A 2 11.993 0.817 -3.585 1.00 0.00 H
ATOM 34 C LYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 35 O LYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 36 OXT LYS A 2 9.440 5.325 0.067 1.00 0.00 O
TER 37 LYS A 2
END
|