File size: 5,505 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 |
REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-01
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 1.446 -0.987 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.495 1.311 0.839 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 CYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H CYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA CYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA CYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB CYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 CYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 CYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 SG CYS A 2 9.992 3.050 -1.366 1.00 0.00 S
ATOM 21 HG CYS A 2 10.018 2.385 -2.518 1.00 0.00 H
ATOM 22 C CYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 23 O CYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 24 N LYS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 25 H LYS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 26 CA LYS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 27 HA LYS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 28 CB LYS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 29 HB2 LYS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 30 HB3 LYS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 31 CG LYS A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 32 HG2 LYS A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 33 HG3 LYS A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 34 CD LYS A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 35 HD2 LYS A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 36 HD3 LYS A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 37 CE LYS A 3 10.769 11.012 2.389 1.00 0.00 C
ATOM 38 HE2 LYS A 3 11.849 10.866 2.380 1.00 0.00 H
ATOM 39 HE3 LYS A 3 10.469 11.551 1.491 1.00 0.00 H
ATOM 40 NZ LYS A 3 10.390 11.791 3.577 1.00 0.00 N
ATOM 41 HZ1 LYS A 3 10.669 11.292 4.410 1.00 0.00 H
ATOM 42 HZ2 LYS A 3 10.852 12.689 3.552 1.00 0.00 H
ATOM 43 HZ3 LYS A 3 9.390 11.927 3.585 1.00 0.00 H
ATOM 44 C LYS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 45 O LYS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 46 N TYR A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 47 H TYR A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 48 CA TYR A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 49 HA TYR A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 50 CB TYR A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 51 HB2 TYR A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 52 HB3 TYR A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 53 CG TYR A 4 15.889 6.987 -1.195 1.00 0.00 C
ATOM 54 CD1 TYR A 4 16.624 6.391 -2.227 1.00 0.00 C
ATOM 55 HD1 TYR A 4 16.106 5.912 -3.058 1.00 0.00 H
ATOM 56 CE1 TYR A 4 18.023 6.411 -2.193 1.00 0.00 C
ATOM 57 HE1 TYR A 4 18.595 5.947 -2.997 1.00 0.00 H
ATOM 58 CZ TYR A 4 18.688 7.027 -1.126 1.00 0.00 C
ATOM 59 OH TYR A 4 20.048 7.046 -1.092 1.00 0.00 O
ATOM 60 HH TYR A 4 20.448 6.610 -1.848 1.00 0.00 H
ATOM 61 CE2 TYR A 4 17.954 7.623 -0.094 1.00 0.00 C
ATOM 62 HE2 TYR A 4 18.472 8.103 0.737 1.00 0.00 H
ATOM 63 CD2 TYR A 4 16.555 7.603 -0.128 1.00 0.00 C
ATOM 64 HD2 TYR A 4 15.983 8.067 0.676 1.00 0.00 H
ATOM 65 C TYR A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 66 O TYR A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 67 OXT TYR A 4 15.662 9.066 0.052 1.00 0.00 O
TER 68 TYR A 4
END
|