File size: 3,561 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 |
REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-21
ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 CYS A 1 2.658 1.443 -0.998 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.481 1.313 0.824 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 SER A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H SER A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA SER A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA SER A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB SER A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB2 SER A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 HB3 SER A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 21 OG SER A 2 9.618 3.148 -1.197 1.00 0.00 O
ATOM 22 HG SER A 2 9.964 2.700 -1.973 1.00 0.00 H
ATOM 23 C SER A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 24 O SER A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 25 N GLY A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 26 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 27 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 28 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 29 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H
ATOM 30 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C
ATOM 31 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O
ATOM 32 N SER A 4 12.394 7.650 0.000 1.00 0.00 N
ATOM 33 H SER A 4 11.929 8.547 0.000 1.00 0.00 H
ATOM 34 CA SER A 4 13.843 7.632 0.000 1.00 0.00 C
ATOM 35 HA SER A 4 14.200 7.114 0.890 1.00 0.00 H
ATOM 36 CB SER A 4 14.383 6.914 -1.232 1.00 0.00 C
ATOM 37 HB2 SER A 4 14.022 5.886 -1.241 1.00 0.00 H
ATOM 38 HB3 SER A 4 14.041 7.427 -2.131 1.00 0.00 H
ATOM 39 OG SER A 4 15.813 6.917 -1.197 1.00 0.00 O
ATOM 40 HG SER A 4 16.153 6.465 -1.973 1.00 0.00 H
ATOM 41 C SER A 4 14.408 9.045 0.000 1.00 0.00 C
ATOM 42 O SER A 4 13.657 10.018 0.000 1.00 0.00 O
ATOM 43 OXT SER A 4 15.694 8.977 0.052 1.00 0.00 O
TER 44 SER A 4
END
|