File size: 4,290 Bytes
523459f |
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 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 |
REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-21
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.649 1.450 -0.992 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.491 1.309 0.834 1.00 0.00 H
ATOM 4 H ALA A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA ALA A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA ALA A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB ALA A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB1 ALA A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 9 HB2 ALA A 1 4.075 4.623 1.206 1.00 0.00 H
ATOM 10 HB3 ALA A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 11 C ALA A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 12 O ALA A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 13 N GLY A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLY A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLY A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA2 GLY A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 HA3 GLY A 2 8.004 3.325 -0.890 1.00 0.00 H
ATOM 18 C GLY A 2 8.171 5.265 0.000 1.00 0.00 C
ATOM 19 O GLY A 2 7.395 6.219 0.000 1.00 0.00 O
ATOM 20 N ALA A 3 9.498 5.409 0.000 1.00 0.00 N
ATOM 21 H ALA A 3 10.094 4.594 0.000 1.00 0.00 H
ATOM 22 CA ALA A 3 10.126 6.715 0.000 1.00 0.00 C
ATOM 23 HA ALA A 3 9.821 7.266 -0.890 1.00 0.00 H
ATOM 24 CB ALA A 3 9.723 7.518 1.232 1.00 0.00 C
ATOM 25 HB1 ALA A 3 10.030 6.984 2.131 1.00 0.00 H
ATOM 26 HB2 ALA A 3 10.209 8.493 1.206 1.00 0.00 H
ATOM 27 HB3 ALA A 3 8.641 7.652 1.241 1.00 0.00 H
ATOM 28 C ALA A 3 11.643 6.593 0.000 1.00 0.00 C
ATOM 29 O ALA A 3 12.180 5.487 0.000 1.00 0.00 O
ATOM 30 N LYS A 4 12.335 7.735 0.000 1.00 0.00 N
ATOM 31 H LYS A 4 11.848 8.620 0.000 1.00 0.00 H
ATOM 32 CA LYS A 4 13.784 7.753 0.000 1.00 0.00 C
ATOM 33 HA LYS A 4 14.154 7.243 0.890 1.00 0.00 H
ATOM 34 CB LYS A 4 14.341 7.048 -1.232 1.00 0.00 C
ATOM 35 HB2 LYS A 4 14.006 6.011 -1.241 1.00 0.00 H
ATOM 36 HB3 LYS A 4 13.987 7.552 -2.131 1.00 0.00 H
ATOM 37 CG LYS A 4 15.865 7.088 -1.195 1.00 0.00 C
ATOM 38 HG2 LYS A 4 16.202 8.125 -1.186 1.00 0.00 H
ATOM 39 HG3 LYS A 4 16.221 6.584 -0.296 1.00 0.00 H
ATOM 40 CD LYS A 4 16.423 6.384 -2.427 1.00 0.00 C
ATOM 41 HD2 LYS A 4 16.087 5.347 -2.436 1.00 0.00 H
ATOM 42 HD3 LYS A 4 16.068 6.888 -3.326 1.00 0.00 H
ATOM 43 CE LYS A 4 17.947 6.424 -2.389 1.00 0.00 C
ATOM 44 HE2 LYS A 4 18.283 7.461 -2.380 1.00 0.00 H
ATOM 45 HE3 LYS A 4 18.302 5.920 -1.491 1.00 0.00 H
ATOM 46 NZ LYS A 4 18.484 5.745 -3.577 1.00 0.00 N
ATOM 47 HZ1 LYS A 4 18.156 6.212 -4.410 1.00 0.00 H
ATOM 48 HZ2 LYS A 4 19.494 5.771 -3.552 1.00 0.00 H
ATOM 49 HZ3 LYS A 4 18.173 4.784 -3.585 1.00 0.00 H
ATOM 50 C LYS A 4 14.314 9.179 0.000 1.00 0.00 C
ATOM 51 O LYS A 4 13.539 10.133 0.000 1.00 0.00 O
ATOM 52 OXT LYS A 4 15.601 9.146 0.063 1.00 0.00 O
TER 53 LYS A 4
END
|