File size: 4,371 Bytes
4030900 |
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 57 |
REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.643 1.451 -0.988 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.492 1.311 0.835 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 ALA A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ALA A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ALA A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ALA A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ALA A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB1 ALA A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 19 HB2 ALA A 2 9.279 3.142 -1.206 1.00 0.00 H
ATOM 20 HB3 ALA A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 21 C ALA A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 22 O ALA A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 23 N VAL A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 24 H VAL A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 25 CA VAL A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 26 HA VAL A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 27 CB VAL A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 28 HB VAL A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 29 CG1 VAL A 3 10.189 6.739 2.490 1.00 0.00 C
ATOM 30 HG11 VAL A 3 11.269 6.592 2.481 1.00 0.00 H
ATOM 31 HG12 VAL A 3 9.908 7.316 3.371 1.00 0.00 H
ATOM 32 HG13 VAL A 3 9.691 5.770 2.517 1.00 0.00 H
ATOM 33 CG2 VAL A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 34 HG21 VAL A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 35 HG22 VAL A 3 10.185 9.426 2.075 1.00 0.00 H
ATOM 36 HG23 VAL A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 37 C VAL A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 38 O VAL A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 39 N THR A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 40 H THR A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 41 CA THR A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 42 HA THR A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 43 CB THR A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 44 HB THR A 4 15.470 6.981 -1.206 1.00 0.00 H
ATOM 45 CG2 THR A 4 13.892 5.521 -1.244 1.00 0.00 C
ATOM 46 HG21 THR A 4 12.803 5.505 -1.271 1.00 0.00 H
ATOM 47 HG22 THR A 4 14.284 5.012 -2.125 1.00 0.00 H
ATOM 48 HG23 THR A 4 14.241 5.012 -0.346 1.00 0.00 H
ATOM 49 OG1 THR A 4 13.923 7.633 -2.411 1.00 0.00 O
ATOM 50 HG1 THR A 4 14.268 7.185 -3.187 1.00 0.00 H
ATOM 51 C THR A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 52 O THR A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 53 OXT THR A 4 15.667 9.040 0.032 1.00 0.00 O
TER 54 THR A 4
END
|