File size: 5,505 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 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 |
REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-11
ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 CYS A 1 2.642 1.447 -0.986 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.492 1.319 0.837 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 PHE A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H PHE A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA PHE A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA PHE A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB PHE A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB2 PHE A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 HB3 PHE A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 21 CG PHE A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 22 CD1 PHE A 2 10.311 2.447 -2.410 1.00 0.00 C
ATOM 23 HD1 PHE A 2 9.703 1.995 -3.193 1.00 0.00 H
ATOM 24 CE1 PHE A 2 11.708 2.400 -2.492 1.00 0.00 C
ATOM 25 HE1 PHE A 2 12.188 1.910 -3.340 1.00 0.00 H
ATOM 26 CZ PHE A 2 12.489 2.981 -1.486 1.00 0.00 C
ATOM 27 HZ PHE A 2 13.576 2.944 -1.550 1.00 0.00 H
ATOM 28 CE2 PHE A 2 11.873 3.609 -0.397 1.00 0.00 C
ATOM 29 HE2 PHE A 2 12.481 4.062 0.386 1.00 0.00 H
ATOM 30 CD2 PHE A 2 10.476 3.657 -0.315 1.00 0.00 C
ATOM 31 HD2 PHE A 2 9.997 4.146 0.533 1.00 0.00 H
ATOM 32 C PHE A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 33 O PHE A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 34 N TYR A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 35 H TYR A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 36 CA TYR A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 37 HA TYR A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 38 CB TYR A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 39 HB2 TYR A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 40 HB3 TYR A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 41 CG TYR A 3 10.458 8.835 1.195 1.00 0.00 C
ATOM 42 CD1 TYR A 3 10.251 9.757 2.227 1.00 0.00 C
ATOM 43 HD1 TYR A 3 9.591 9.507 3.058 1.00 0.00 H
ATOM 44 CE1 TYR A 3 10.891 11.002 2.193 1.00 0.00 C
ATOM 45 HE1 TYR A 3 10.730 11.720 2.997 1.00 0.00 H
ATOM 46 CZ TYR A 3 11.738 11.324 1.126 1.00 0.00 C
ATOM 47 OH TYR A 3 12.360 12.533 1.092 1.00 0.00 O
ATOM 48 HH TYR A 3 12.147 13.086 1.848 1.00 0.00 H
ATOM 49 CE2 TYR A 3 11.946 10.401 0.094 1.00 0.00 C
ATOM 50 HE2 TYR A 3 12.606 10.652 -0.737 1.00 0.00 H
ATOM 51 CD2 TYR A 3 11.306 9.157 0.128 1.00 0.00 C
ATOM 52 HD2 TYR A 3 11.467 8.439 -0.676 1.00 0.00 H
ATOM 53 C TYR A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 54 O TYR A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 55 N ASP A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 56 H ASP A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 57 CA ASP A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 58 HA ASP A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 59 CB ASP A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 60 HB2 ASP A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 61 HB3 ASP A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 62 CG ASP A 4 15.906 6.988 -1.195 1.00 0.00 C
ATOM 63 OD1 ASP A 4 16.482 6.025 -0.620 1.00 0.00 O
ATOM 64 OD2 ASP A 4 16.482 7.966 -1.741 1.00 0.00 O
ATOM 65 C ASP A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 66 O ASP A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 67 OXT ASP A 4 15.666 9.059 0.054 1.00 0.00 O
TER 68 ASP A 4
END
|