File size: 6,153 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 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 |
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 2.635 1.450 -0.983 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.492 1.315 0.836 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 ARG A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ARG A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ARG A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ARG A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ARG A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 ARG A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 ARG A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG ARG A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 ARG A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 ARG A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 CD ARG A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 24 HD2 ARG A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 25 HD3 ARG A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 26 NE ARG A 2 11.742 2.439 -2.424 1.00 0.00 N
ATOM 27 HE ARG A 2 12.223 2.883 -1.655 1.00 0.00 H
ATOM 28 CZ ARG A 2 12.469 1.882 -3.389 1.00 0.00 C
ATOM 29 NH1 ARG A 2 11.909 1.279 -4.434 1.00 0.00 N
ATOM 30 HH11 ARG A 2 10.902 1.235 -4.509 1.00 0.00 H
ATOM 31 HH12 ARG A 2 12.492 0.866 -5.148 1.00 0.00 H
ATOM 32 NH2 ARG A 2 13.793 1.941 -3.287 1.00 0.00 N
ATOM 33 HH21 ARG A 2 14.215 2.400 -2.492 1.00 0.00 H
ATOM 34 HH22 ARG A 2 14.371 1.527 -4.004 1.00 0.00 H
ATOM 35 C ARG A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 36 O ARG A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 37 N LYS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 38 H LYS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 39 CA LYS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 40 HA LYS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 41 CB LYS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 42 HB2 LYS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 43 HB3 LYS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 44 CG LYS A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 45 HG2 LYS A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 46 HG3 LYS A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 47 CD LYS A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 48 HD2 LYS A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 49 HD3 LYS A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 50 CE LYS A 3 10.769 11.012 2.389 1.00 0.00 C
ATOM 51 HE2 LYS A 3 11.849 10.866 2.380 1.00 0.00 H
ATOM 52 HE3 LYS A 3 10.469 11.551 1.491 1.00 0.00 H
ATOM 53 NZ LYS A 3 10.390 11.791 3.577 1.00 0.00 N
ATOM 54 HZ1 LYS A 3 10.669 11.292 4.410 1.00 0.00 H
ATOM 55 HZ2 LYS A 3 10.852 12.689 3.552 1.00 0.00 H
ATOM 56 HZ3 LYS A 3 9.390 11.927 3.585 1.00 0.00 H
ATOM 57 C LYS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 58 O LYS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 59 N VAL A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 60 H VAL A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 61 CA VAL A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 62 HA VAL A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 63 CB VAL A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 64 HB VAL A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 65 CG1 VAL A 4 13.892 7.678 -2.490 1.00 0.00 C
ATOM 66 HG11 VAL A 4 14.241 8.710 -2.481 1.00 0.00 H
ATOM 67 HG12 VAL A 4 14.284 7.170 -3.371 1.00 0.00 H
ATOM 68 HG13 VAL A 4 12.803 7.662 -2.517 1.00 0.00 H
ATOM 69 CG2 VAL A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 70 HG21 VAL A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 71 HG22 VAL A 4 16.297 6.479 -2.075 1.00 0.00 H
ATOM 72 HG23 VAL A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 73 C VAL A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 74 O VAL A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 75 OXT VAL A 4 15.667 9.052 0.043 1.00 0.00 O
TER 76 VAL A 4
END
|