Browse entries in the PDBbind-CN Database
HEADER 3CTR_COMPLEX COMPND 3CTR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 75 GLY PRO LEU GLY SER ASP HIS VAL LEU HIS VAL THR PHE SEQRES 2 A 75 PRO LYS GLU TRP LYS THR SER ASP LEU TYR GLN LEU PHE SEQRES 3 A 75 SER ALA PHE GLY ASN ILE GLN ILE SER TRP ILE ASP ASP SEQRES 4 A 75 THR SER ALA PHE VAL SER LEU SER GLN PRO GLU GLN VAL SEQRES 5 A 75 LYS ILE ALA VAL ASN THR SER LYS TYR ALA GLU SER TYR SEQRES 6 A 75 ARG ILE GLN THR TYR ALA GLU TYR MET GLY HET MGP A 145 49 ATOM 1 N GLY A 440 39.594 13.978 26.457 1.00 57.11 N ATOM 2 CA GLY A 440 40.236 15.263 25.978 1.00 57.35 C ATOM 3 C GLY A 440 41.757 15.167 25.953 1.00 56.34 C ATOM 4 O GLY A 440 42.391 15.355 24.904 1.00 57.34 O ATOM 5 HA3 GLY A 440 39.945 16.073 26.647 1.00 0.00 H ATOM 6 HA2 GLY A 440 39.880 15.480 24.971 1.00 0.00 H ATOM 7 HN3 GLY A 440 39.922 13.766 27.421 1.00 0.00 H ATOM 8 HN2 GLY A 440 39.860 13.200 25.820 1.00 0.00 H ATOM 9 HN1 GLY A 440 38.560 14.088 26.458 1.00 0.00 H ATOM 10 N PRO A 441 42.359 14.913 27.122 1.00 55.22 N ATOM 11 CA PRO A 441 43.629 14.212 27.129 1.00 53.55 C ATOM 12 C PRO A 441 43.428 12.694 26.899 1.00 52.05 C ATOM 13 O PRO A 441 44.400 11.993 26.620 1.00 52.87 O ATOM 14 CB PRO A 441 44.143 14.459 28.545 1.00 53.81 C ATOM 15 CG PRO A 441 42.916 14.583 29.369 1.00 54.44 C ATOM 16 CD PRO A 441 41.930 15.299 28.483 1.00 55.37 C ATOM 17 HA PRO A 441 44.306 14.552 26.345 1.00 0.00 H ATOM 18 HD3 PRO A 441 40.911 14.966 28.682 1.00 0.00 H ATOM 19 HD2 PRO A 441 41.991 16.378 28.621 1.00 0.00 H ATOM 20 HG3 PRO A 441 43.115 15.163 30.270 1.00 0.00 H ATOM 21 HG2 PRO A 441 42.539 13.599 29.648 1.00 0.00 H ATOM 22 HB2 PRO A 441 44.753 13.622 28.885 1.00 0.00 H ATOM 23 HB3 PRO A 441 44.730 15.376 28.588 1.00 0.00 H ATOM 24 N LEU A 442 42.192 12.195 27.007 1.00 48.93 N ATOM 25 CA LEU A 442 41.922 10.758 26.844 1.00 46.06 C ATOM 26 C LEU A 442 41.592 10.379 25.400 1.00 45.47 C ATOM 27 O LEU A 442 41.565 9.202 25.049 1.00 43.95 O ATOM 28 CB LEU A 442 40.828 10.305 27.801 1.00 45.64 C ATOM 29 CG LEU A 442 41.156 10.624 29.268 1.00 44.30 C ATOM 30 CD1 LEU A 442 40.038 10.195 30.174 1.00 43.68 C ATOM 31 CD2 LEU A 442 42.454 9.971 29.663 1.00 40.82 C ATOM 32 HA LEU A 442 42.842 10.230 27.095 1.00 0.00 H ATOM 33 HB2 LEU A 442 39.899 10.809 27.533 1.00 0.00 H ATOM 34 HB3 LEU A 442 40.698 9.228 27.698 1.00 0.00 H ATOM 35 HG LEU A 442 41.268 11.703 29.372 1.00 0.00 H ATOM 36 HD21 LEU A 442 42.368 8.891 29.542 1.00 0.00 H ATOM 37 HD22 LEU A 442 43.256 10.346 29.027 1.00 0.00 H ATOM 38 HD23 LEU A 442 42.675 10.205 30.704 1.00 0.00 H ATOM 39 HD11 LEU A 442 39.125 10.722 29.897 1.00 0.00 H ATOM 40 HD12 LEU A 442 39.884 9.121 30.075 1.00 0.00 H ATOM 41 HD13 LEU A 442 40.297 10.433 31.206 1.00 0.00 H ATOM 42 H LEU A 442 41.402 12.839 27.211 1.00 0.00 H ATOM 43 N GLY A 443 41.349 11.389 24.571 1.00 44.45 N ATOM 44 CA GLY A 443 41.109 11.185 23.134 1.00 44.52 C ATOM 45 C GLY A 443 41.865 12.240 22.353 1.00 44.12 C ATOM 46 O GLY A 443 41.999 13.374 22.829 1.00 44.91 O ATOM 47 HA3 GLY A 443 40.042 11.270 22.926 1.00 0.00 H ATOM 48 HA2 GLY A 443 41.457 10.194 22.842 1.00 0.00 H ATOM 49 H GLY A 443 41.328 12.357 24.951 1.00 0.00 H ATOM 50 N SER A 444 42.408 11.886 21.191 1.00 42.54 N ATOM 51 CA SER A 444 43.071 12.899 20.378 1.00 41.75 C ATOM 52 C SER A 444 42.203 13.311 19.188 1.00 41.59 C ATOM 53 O SER A 444 41.542 12.477 18.556 1.00 40.28 O ATOM 54 CB SER A 444 44.461 12.459 19.936 1.00 41.52 C ATOM 55 OG SER A 444 44.386 11.319 19.101 1.00 42.81 O ATOM 56 HA SER A 444 43.206 13.779 21.007 1.00 0.00 H ATOM 57 HB2 SER A 444 45.057 12.219 20.817 1.00 0.00 H ATOM 58 HB3 SER A 444 44.936 13.273 19.388 1.00 0.00 H ATOM 59 HG SER A 444 43.849 11.534 18.298 1.00 0.00 H ATOM 60 H SER A 444 42.360 10.899 20.867 1.00 0.00 H ATOM 61 N ASP A 445 42.211 14.611 18.902 1.00 40.85 N ATOM 62 CA ASP A 445 41.404 15.166 17.837 1.00 40.21 C ATOM 63 C ASP A 445 42.284 15.304 16.617 1.00 39.53 C ATOM 64 O ASP A 445 43.439 15.743 16.707 1.00 40.17 O ATOM 65 CB ASP A 445 40.800 16.508 18.250 1.00 40.46 C ATOM 66 CG ASP A 445 39.868 16.377 19.436 1.00 42.48 C ATOM 67 OD1 ASP A 445 38.765 15.821 19.279 1.00 45.74 O ATOM 68 OD2 ASP A 445 40.245 16.833 20.528 1.00 44.39 O ATOM 69 HA ASP A 445 40.565 14.507 17.613 1.00 0.00 H ATOM 70 HB2 ASP A 445 41.608 17.191 18.512 1.00 0.00 H ATOM 71 HB3 ASP A 445 40.241 16.915 17.408 1.00 0.00 H ATOM 72 H ASP A 445 42.815 15.247 19.461 1.00 0.00 H ATOM 73 N HIS A 446 41.753 14.882 15.481 1.00 38.10 N ATOM 74 CA HIS A 446 42.516 14.858 14.241 1.00 37.78 C ATOM 75 C HIS A 446 41.643 15.399 13.139 1.00 37.31 C ATOM 76 O HIS A 446 40.425 15.224 13.168 1.00 37.15 O ATOM 77 CB HIS A 446 42.914 13.424 13.863 1.00 38.47 C ATOM 78 CG HIS A 446 43.776 12.744 14.879 1.00 37.88 C ATOM 79 ND1 HIS A 446 45.117 12.514 14.674 1.00 40.31 N ATOM 80 CD2 HIS A 446 43.493 12.260 16.116 1.00 39.07 C ATOM 81 CE1 HIS A 446 45.630 11.923 15.744 1.00 41.03 C ATOM 82 NE2 HIS A 446 44.664 11.748 16.629 1.00 38.92 N ATOM 83 HA HIS A 446 43.418 15.455 14.376 1.00 0.00 H ATOM 84 HB2 HIS A 446 42.004 12.837 13.737 1.00 0.00 H ATOM 85 HB3 HIS A 446 43.457 13.456 12.919 1.00 0.00 H ATOM 86 HD2 HIS A 446 42.521 12.274 16.610 1.00 0.00 H ATOM 87 HE1 HIS A 446 46.672 11.631 15.872 1.00 0.00 H ATOM 88 H HIS A 446 40.764 14.559 15.473 1.00 0.00 H ATOM 89 N VAL A 447 42.267 16.073 12.179 1.00 36.69 N ATOM 90 CA VAL A 447 41.586 16.400 10.951 1.00 36.51 C ATOM 91 C VAL A 447 42.376 15.764 9.837 1.00 36.52 C ATOM 92 O VAL A 447 43.596 15.916 9.781 1.00 36.60 O ATOM 93 CB VAL A 447 41.502 17.944 10.697 1.00 36.82 C ATOM 94 CG1 VAL A 447 40.803 18.230 9.344 1.00 34.92 C ATOM 95 CG2 VAL A 447 40.743 18.636 11.819 1.00 36.13 C ATOM 96 HA VAL A 447 40.561 16.034 11.005 1.00 0.00 H ATOM 97 HB VAL A 447 42.519 18.336 10.667 1.00 0.00 H ATOM 98 HG11 VAL A 447 41.372 17.767 8.538 1.00 0.00 H ATOM 99 HG12 VAL A 447 39.795 17.817 9.363 1.00 0.00 H ATOM 100 HG13 VAL A 447 40.753 19.307 9.183 1.00 0.00 H ATOM 101 HG21 VAL A 447 39.732 18.233 11.874 1.00 0.00 H ATOM 102 HG22 VAL A 447 41.257 18.462 12.764 1.00 0.00 H ATOM 103 HG23 VAL A 447 40.698 19.707 11.619 1.00 0.00 H ATOM 104 H VAL A 447 43.255 16.367 12.315 1.00 0.00 H ATOM 105 N LEU A 448 41.671 15.081 8.942 1.00 36.06 N ATOM 106 CA LEU A 448 42.291 14.366 7.835 1.00 36.55 C ATOM 107 C LEU A 448 41.716 14.859 6.517 1.00 36.46 C ATOM 108 O LEU A 448 40.605 15.394 6.477 1.00 37.11 O ATOM 109 CB LEU A 448 42.011 12.853 7.949 1.00 35.94 C ATOM 110 CG LEU A 448 42.310 12.142 9.294 1.00 36.35 C ATOM 111 CD1 LEU A 448 41.893 10.675 9.212 1.00 34.23 C ATOM 112 CD2 LEU A 448 43.806 12.237 9.593 1.00 36.86 C ATOM 113 HA LEU A 448 43.365 14.546 7.871 1.00 0.00 H ATOM 114 HB2 LEU A 448 40.952 12.705 7.735 1.00 0.00 H ATOM 115 HB3 LEU A 448 42.608 12.357 7.183 1.00 0.00 H ATOM 116 HG LEU A 448 41.746 12.626 10.092 1.00 0.00 H ATOM 117 HD21 LEU A 448 44.367 11.755 8.792 1.00 0.00 H ATOM 118 HD22 LEU A 448 44.096 13.286 9.661 1.00 0.00 H ATOM 119 HD23 LEU A 448 44.019 11.738 10.538 1.00 0.00 H ATOM 120 HD11 LEU A 448 40.825 10.613 9.002 1.00 0.00 H ATOM 121 HD12 LEU A 448 42.450 10.184 8.414 1.00 0.00 H ATOM 122 HD13 LEU A 448 42.107 10.184 10.161 1.00 0.00 H ATOM 123 H LEU A 448 40.636 15.056 9.035 1.00 0.00 H ATOM 124 N HIS A 449 42.455 14.648 5.441 1.00 37.39 N ATOM 125 CA HIS A 449 41.944 14.960 4.105 1.00 38.29 C ATOM 126 C HIS A 449 41.630 13.677 3.331 1.00 38.74 C ATOM 127 O HIS A 449 42.465 12.769 3.248 1.00 38.86 O ATOM 128 CB HIS A 449 42.958 15.821 3.352 1.00 38.49 C ATOM 129 CG HIS A 449 42.585 16.088 1.925 1.00 40.91 C ATOM 130 ND1 HIS A 449 41.816 17.166 1.546 1.00 44.72 N ATOM 131 CD2 HIS A 449 42.881 15.420 0.787 1.00 42.56 C ATOM 132 CE1 HIS A 449 41.655 17.151 0.234 1.00 44.07 C ATOM 133 NE2 HIS A 449 42.294 16.105 -0.253 1.00 43.82 N ATOM 134 HA HIS A 449 41.015 15.521 4.204 1.00 0.00 H ATOM 135 HB2 HIS A 449 43.048 16.777 3.868 1.00 0.00 H ATOM 136 HB3 HIS A 449 43.921 15.310 3.366 1.00 0.00 H ATOM 137 HD2 HIS A 449 43.474 14.509 0.708 1.00 0.00 H ATOM 138 HE1 HIS A 449 41.090 17.880 -0.347 1.00 0.00 H ATOM 139 H HIS A 449 43.412 14.255 5.545 1.00 0.00 H ATOM 140 N VAL A 450 40.430 13.607 2.759 1.00 39.10 N ATOM 141 CA VAL A 450 39.990 12.421 2.030 1.00 39.74 C ATOM 142 C VAL A 450 39.636 12.786 0.588 1.00 40.59 C ATOM 143 O VAL A 450 38.962 13.783 0.364 1.00 40.34 O ATOM 144 CB VAL A 450 38.751 11.782 2.716 1.00 39.49 C ATOM 145 CG1 VAL A 450 38.507 10.384 2.193 1.00 39.23 C ATOM 146 CG2 VAL A 450 38.958 11.728 4.226 1.00 39.73 C ATOM 147 HA VAL A 450 40.809 11.701 2.033 1.00 0.00 H ATOM 148 HB VAL A 450 37.882 12.399 2.488 1.00 0.00 H ATOM 149 HG11 VAL A 450 38.331 10.425 1.118 1.00 0.00 H ATOM 150 HG12 VAL A 450 39.380 9.764 2.396 1.00 0.00 H ATOM 151 HG13 VAL A 450 37.634 9.959 2.689 1.00 0.00 H ATOM 152 HG21 VAL A 450 39.840 11.128 4.449 1.00 0.00 H ATOM 153 HG22 VAL A 450 39.098 12.739 4.609 1.00 0.00 H ATOM 154 HG23 VAL A 450 38.083 11.278 4.696 1.00 0.00 H ATOM 155 H VAL A 450 39.787 14.421 2.834 1.00 0.00 H ATOM 156 N THR A 451 40.124 11.992 -0.363 1.00 41.25 N ATOM 157 CA THR A 451 39.714 12.042 -1.773 1.00 42.72 C ATOM 158 C THR A 451 38.961 10.749 -2.078 1.00 42.99 C ATOM 159 O THR A 451 39.369 9.672 -1.645 1.00 42.53 O ATOM 160 CB THR A 451 40.928 12.155 -2.729 1.00 42.70 C ATOM 161 OG1 THR A 451 41.776 13.229 -2.309 1.00 45.34 O ATOM 162 CG2 THR A 451 40.473 12.439 -4.174 1.00 45.63 C ATOM 163 HA THR A 451 39.092 12.924 -1.929 1.00 0.00 H ATOM 164 HB THR A 451 41.464 11.206 -2.699 1.00 0.00 H ATOM 165 HG1 THR A 451 42.098 13.054 -1.389 1.00 0.00 H ATOM 166 HG23 THR A 451 39.825 11.632 -4.515 1.00 0.00 H ATOM 167 HG21 THR A 451 39.927 13.382 -4.203 1.00 0.00 H ATOM 168 HG22 THR A 451 41.347 12.503 -4.823 1.00 0.00 H ATOM 169 H THR A 451 40.842 11.291 -0.090 1.00 0.00 H ATOM 170 N PHE A 452 37.867 10.856 -2.821 1.00 43.45 N ATOM 171 CA PHE A 452 36.988 9.726 -3.070 1.00 45.04 C ATOM 172 C PHE A 452 36.229 9.912 -4.378 1.00 46.38 C ATOM 173 O PHE A 452 36.255 10.997 -4.936 1.00 47.43 O ATOM 174 CB PHE A 452 35.991 9.591 -1.925 1.00 43.92 C ATOM 175 CG PHE A 452 35.457 10.907 -1.424 1.00 44.34 C ATOM 176 CD1 PHE A 452 36.019 11.514 -0.306 1.00 42.18 C ATOM 177 CD2 PHE A 452 34.384 11.533 -2.059 1.00 44.10 C ATOM 178 CE1 PHE A 452 35.534 12.716 0.163 1.00 43.55 C ATOM 179 CE2 PHE A 452 33.890 12.740 -1.595 1.00 43.84 C ATOM 180 CZ PHE A 452 34.466 13.335 -0.482 1.00 43.83 C ATOM 181 HA PHE A 452 37.596 8.824 -3.141 1.00 0.00 H ATOM 182 HB2 PHE A 452 35.151 8.988 -2.270 1.00 0.00 H ATOM 183 HB3 PHE A 452 36.485 9.083 -1.097 1.00 0.00 H ATOM 184 HD2 PHE A 452 33.929 11.065 -2.932 1.00 0.00 H ATOM 185 HE2 PHE A 452 33.053 13.220 -2.101 1.00 0.00 H ATOM 186 HZ PHE A 452 34.083 14.286 -0.113 1.00 0.00 H ATOM 187 HE1 PHE A 452 35.986 13.182 1.038 1.00 0.00 H ATOM 188 HD1 PHE A 452 36.853 11.033 0.205 1.00 0.00 H ATOM 189 H PHE A 452 37.631 11.779 -3.239 1.00 0.00 H ATOM 190 N PRO A 453 35.536 8.863 -4.865 1.00 47.76 N ATOM 191 CA PRO A 453 34.711 9.048 -6.073 1.00 48.38 C ATOM 192 C PRO A 453 33.504 9.978 -5.855 1.00 49.24 C ATOM 193 O PRO A 453 32.943 10.048 -4.750 1.00 48.50 O ATOM 194 CB PRO A 453 34.219 7.625 -6.391 1.00 48.62 C ATOM 195 CG PRO A 453 35.131 6.692 -5.612 1.00 47.92 C ATOM 196 CD PRO A 453 35.478 7.473 -4.372 1.00 47.82 C ATOM 197 HA PRO A 453 35.286 9.519 -6.870 1.00 0.00 H ATOM 198 HD3 PRO A 453 34.709 7.359 -3.608 1.00 0.00 H ATOM 199 HD2 PRO A 453 36.440 7.160 -3.967 1.00 0.00 H ATOM 200 HG3 PRO A 453 36.027 6.457 -6.186 1.00 0.00 H ATOM 201 HG2 PRO A 453 34.613 5.768 -5.356 1.00 0.00 H ATOM 202 HB2 PRO A 453 33.184 7.500 -6.072 1.00 0.00 H ATOM 203 HB3 PRO A 453 34.295 7.426 -7.460 1.00 0.00 H ATOM 204 N LYS A 454 33.078 10.652 -6.924 1.00 49.92 N ATOM 205 CA LYS A 454 31.949 11.583 -6.845 1.00 51.24 C ATOM 206 C LYS A 454 30.649 10.931 -6.355 1.00 51.10 C ATOM 207 O LYS A 454 29.779 11.612 -5.812 1.00 51.05 O ATOM 208 CB LYS A 454 31.737 12.300 -8.191 1.00 51.41 C ATOM 209 CG LYS A 454 31.475 11.382 -9.377 1.00 52.55 C ATOM 210 CD LYS A 454 31.147 12.182 -10.642 1.00 53.66 C ATOM 211 CE LYS A 454 30.728 11.245 -11.775 1.00 57.07 C ATOM 212 NZ LYS A 454 31.046 11.835 -13.109 1.00 58.59 N ATOM 213 HA LYS A 454 32.215 12.321 -6.089 1.00 0.00 H ATOM 214 HB2 LYS A 454 30.883 12.969 -8.087 1.00 0.00 H ATOM 215 HB3 LYS A 454 32.631 12.885 -8.407 1.00 0.00 H ATOM 216 HG2 LYS A 454 32.363 10.777 -9.560 1.00 0.00 H ATOM 217 HG3 LYS A 454 30.634 10.730 -9.142 1.00 0.00 H ATOM 218 HD2 LYS A 454 30.332 12.873 -10.428 1.00 0.00 H ATOM 219 HD3 LYS A 454 32.028 12.745 -10.949 1.00 0.00 H ATOM 220 HE2 LYS A 454 29.654 11.067 -11.711 1.00 0.00 H ATOM 221 HE3 LYS A 454 31.259 10.299 -11.669 1.00 0.00 H ATOM 222 HZ1 LYS A 454 30.538 12.736 -13.218 1.00 0.00 H ATOM 223 HZ2 LYS A 454 32.070 12.002 -13.178 1.00 0.00 H ATOM 224 HZ3 LYS A 454 30.750 11.176 -13.857 1.00 0.00 H ATOM 225 H LYS A 454 33.559 10.514 -7.836 1.00 0.00 H ATOM 226 N GLU A 455 30.547 9.613 -6.537 1.00 51.32 N ATOM 227 CA GLU A 455 29.368 8.829 -6.180 1.00 51.77 C ATOM 228 C GLU A 455 29.177 8.635 -4.665 1.00 51.84 C ATOM 229 O GLU A 455 28.089 8.260 -4.204 1.00 52.24 O ATOM 230 CB GLU A 455 29.441 7.454 -6.865 1.00 52.40 C ATOM 231 CG GLU A 455 29.223 7.456 -8.386 1.00 54.74 C ATOM 232 CD GLU A 455 30.440 7.908 -9.185 1.00 58.31 C ATOM 233 OE1 GLU A 455 31.584 7.772 -8.688 1.00 58.22 O ATOM 234 OE2 GLU A 455 30.246 8.389 -10.329 1.00 60.02 O ATOM 235 HA GLU A 455 28.506 9.399 -6.527 1.00 0.00 H ATOM 236 HB2 GLU A 455 30.427 7.033 -6.668 1.00 0.00 H ATOM 237 HB3 GLU A 455 28.679 6.816 -6.418 1.00 0.00 H ATOM 238 HG2 GLU A 455 28.965 6.444 -8.697 1.00 0.00 H ATOM 239 HG3 GLU A 455 28.395 8.127 -8.613 1.00 0.00 H ATOM 240 H GLU A 455 31.356 9.114 -6.959 1.00 0.00 H ATOM 241 N TRP A 456 30.234 8.868 -3.894 1.00 51.43 N ATOM 242 CA TRP A 456 30.174 8.730 -2.433 1.00 50.81 C ATOM 243 C TRP A 456 29.241 9.745 -1.791 1.00 51.14 C ATOM 244 O TRP A 456 29.129 10.884 -2.268 1.00 51.59 O ATOM 245 CB TRP A 456 31.575 8.880 -1.837 1.00 50.17 C ATOM 246 CG TRP A 456 32.417 7.627 -1.877 1.00 49.91 C ATOM 247 CD1 TRP A 456 32.351 6.609 -2.791 1.00 49.74 C ATOM 248 CD2 TRP A 456 33.465 7.270 -0.958 1.00 49.67 C ATOM 249 NE1 TRP A 456 33.285 5.640 -2.491 1.00 49.81 N ATOM 250 CE2 TRP A 456 33.990 6.027 -1.382 1.00 49.53 C ATOM 251 CE3 TRP A 456 34.011 7.884 0.180 1.00 49.48 C ATOM 252 CZ2 TRP A 456 35.033 5.384 -0.704 1.00 50.13 C ATOM 253 CZ3 TRP A 456 35.056 7.244 0.853 1.00 49.59 C ATOM 254 CH2 TRP A 456 35.550 6.010 0.412 1.00 49.68 C ATOM 255 HA TRP A 456 29.778 7.737 -2.222 1.00 0.00 H ATOM 256 HB2 TRP A 456 32.098 9.659 -2.392 1.00 0.00 H ATOM 257 HB3 TRP A 456 31.470 9.185 -0.796 1.00 0.00 H ATOM 258 HE1 TRP A 456 33.431 4.757 -3.021 1.00 0.00 H ATOM 259 HD1 TRP A 456 31.660 6.570 -3.633 1.00 0.00 H ATOM 260 HZ2 TRP A 456 35.422 4.425 -1.045 1.00 0.00 H ATOM 261 HH2 TRP A 456 36.361 5.533 0.963 1.00 0.00 H ATOM 262 HZ3 TRP A 456 35.493 7.713 1.735 1.00 0.00 H ATOM 263 HE3 TRP A 456 33.628 8.842 0.532 1.00 0.00 H ATOM 264 H TRP A 456 31.129 9.156 -4.338 1.00 0.00 H ATOM 265 N LYS A 457 28.580 9.317 -0.716 1.00 50.65 N ATOM 266 CA LYS A 457 27.721 10.167 0.102 1.00 50.53 C ATOM 267 C LYS A 457 28.264 10.256 1.531 1.00 50.06 C ATOM 268 O LYS A 457 29.292 9.657 1.861 1.00 48.98 O ATOM 269 CB LYS A 457 26.292 9.607 0.156 1.00 51.45 C ATOM 270 CG LYS A 457 25.585 9.382 -1.203 1.00 52.80 C ATOM 271 CD LYS A 457 25.283 10.704 -1.925 1.00 54.51 C ATOM 272 CE LYS A 457 24.407 10.494 -3.167 1.00 55.30 C ATOM 273 NZ LYS A 457 25.129 9.733 -4.239 1.00 57.41 N ATOM 274 HA LYS A 457 27.707 11.158 -0.352 1.00 0.00 H ATOM 275 HB2 LYS A 457 26.332 8.647 0.672 1.00 0.00 H ATOM 276 HB3 LYS A 457 25.685 10.304 0.734 1.00 0.00 H ATOM 277 HG2 LYS A 457 26.229 8.774 -1.838 1.00 0.00 H ATOM 278 HG3 LYS A 457 24.647 8.855 -1.028 1.00 0.00 H ATOM 279 HD2 LYS A 457 24.764 11.371 -1.236 1.00 0.00 H ATOM 280 HD3 LYS A 457 26.224 11.161 -2.231 1.00 0.00 H ATOM 281 HE2 LYS A 457 24.115 11.467 -3.561 1.00 0.00 H ATOM 282 HE3 LYS A 457 23.515 9.938 -2.879 1.00 0.00 H ATOM 283 HZ1 LYS A 457 25.979 10.260 -4.525 1.00 0.00 H ATOM 284 HZ2 LYS A 457 25.406 8.800 -3.873 1.00 0.00 H ATOM 285 HZ3 LYS A 457 24.502 9.613 -5.060 1.00 0.00 H ATOM 286 H LYS A 457 28.682 8.318 -0.444 1.00 0.00 H ATOM 287 N THR A 458 27.563 11.016 2.368 1.00 49.50 N ATOM 288 CA THR A 458 27.879 11.147 3.790 1.00 49.32 C ATOM 289 C THR A 458 28.089 9.776 4.448 1.00 48.28 C ATOM 290 O THR A 458 29.051 9.579 5.185 1.00 47.86 O ATOM 291 CB THR A 458 26.752 11.895 4.541 1.00 49.51 C ATOM 292 OG1 THR A 458 26.430 13.096 3.831 1.00 52.52 O ATOM 293 CG2 THR A 458 27.186 12.268 5.947 1.00 49.99 C ATOM 294 HA THR A 458 28.804 11.719 3.857 1.00 0.00 H ATOM 295 HB THR A 458 25.886 11.236 4.601 1.00 0.00 H ATOM 296 HG1 THR A 458 26.126 12.866 2.917 1.00 0.00 H ATOM 297 HG23 THR A 458 27.435 11.363 6.501 1.00 0.00 H ATOM 298 HG21 THR A 458 28.061 12.916 5.896 1.00 0.00 H ATOM 299 HG22 THR A 458 26.373 12.791 6.450 1.00 0.00 H ATOM 300 H THR A 458 26.749 11.544 1.992 1.00 0.00 H ATOM 301 N SER A 459 27.186 8.844 4.160 1.00 47.15 N ATOM 302 CA SER A 459 27.178 7.528 4.796 1.00 46.78 C ATOM 303 C SER A 459 28.450 6.746 4.522 1.00 45.40 C ATOM 304 O SER A 459 28.911 6.046 5.402 1.00 45.37 O ATOM 305 CB SER A 459 25.973 6.708 4.346 1.00 46.46 C ATOM 306 OG SER A 459 25.907 6.714 2.931 1.00 49.55 O ATOM 307 HA SER A 459 27.115 7.708 5.869 1.00 0.00 H ATOM 308 HB2 SER A 459 25.062 7.144 4.756 1.00 0.00 H ATOM 309 HB3 SER A 459 26.076 5.683 4.702 1.00 0.00 H ATOM 310 HG SER A 459 25.126 6.182 2.636 1.00 0.00 H ATOM 311 H SER A 459 26.455 9.060 3.453 1.00 0.00 H ATOM 312 N ASP A 460 29.001 6.865 3.310 1.00 44.28 N ATOM 313 CA ASP A 460 30.257 6.206 2.955 1.00 43.16 C ATOM 314 C ASP A 460 31.408 6.696 3.824 1.00 42.23 C ATOM 315 O ASP A 460 32.236 5.908 4.280 1.00 41.13 O ATOM 316 CB ASP A 460 30.593 6.416 1.486 1.00 43.43 C ATOM 317 CG ASP A 460 29.563 5.802 0.576 1.00 46.00 C ATOM 318 OD1 ASP A 460 29.473 4.556 0.545 1.00 46.51 O ATOM 319 OD2 ASP A 460 28.832 6.567 -0.081 1.00 45.38 O ATOM 320 HA ASP A 460 30.119 5.140 3.133 1.00 0.00 H ATOM 321 HB2 ASP A 460 30.645 7.486 1.287 1.00 0.00 H ATOM 322 HB3 ASP A 460 31.562 5.961 1.278 1.00 0.00 H ATOM 323 H ASP A 460 28.520 7.447 2.595 1.00 0.00 H ATOM 324 N LEU A 461 31.457 8.001 4.058 1.00 40.70 N ATOM 325 CA LEU A 461 32.536 8.557 4.879 1.00 39.75 C ATOM 326 C LEU A 461 32.351 8.160 6.347 1.00 39.64 C ATOM 327 O LEU A 461 33.329 7.820 7.014 1.00 38.55 O ATOM 328 CB LEU A 461 32.627 10.073 4.717 1.00 39.01 C ATOM 329 CG LEU A 461 33.226 10.604 3.410 1.00 39.83 C ATOM 330 CD1 LEU A 461 33.060 12.135 3.363 1.00 37.41 C ATOM 331 CD2 LEU A 461 34.712 10.243 3.285 1.00 37.98 C ATOM 332 HA LEU A 461 33.481 8.138 4.533 1.00 0.00 H ATOM 333 HB2 LEU A 461 31.617 10.473 4.801 1.00 0.00 H ATOM 334 HB3 LEU A 461 33.237 10.454 5.536 1.00 0.00 H ATOM 335 HG LEU A 461 32.697 10.141 2.577 1.00 0.00 H ATOM 336 HD21 LEU A 461 35.262 10.679 4.119 1.00 0.00 H ATOM 337 HD22 LEU A 461 34.824 9.159 3.301 1.00 0.00 H ATOM 338 HD23 LEU A 461 35.102 10.636 2.346 1.00 0.00 H ATOM 339 HD11 LEU A 461 32.000 12.386 3.409 1.00 0.00 H ATOM 340 HD12 LEU A 461 33.578 12.582 4.212 1.00 0.00 H ATOM 341 HD13 LEU A 461 33.485 12.517 2.435 1.00 0.00 H ATOM 342 H LEU A 461 30.730 8.629 3.659 1.00 0.00 H ATOM 343 N TYR A 462 31.109 8.187 6.833 1.00 39.66 N ATOM 344 CA TYR A 462 30.784 7.675 8.177 1.00 40.93 C ATOM 345 C TYR A 462 31.188 6.196 8.351 1.00 40.23 C ATOM 346 O TYR A 462 31.761 5.824 9.384 1.00 40.42 O ATOM 347 CB TYR A 462 29.283 7.848 8.491 1.00 42.62 C ATOM 348 CG TYR A 462 28.856 9.271 8.848 1.00 45.34 C ATOM 349 CD1 TYR A 462 29.788 10.217 9.244 1.00 47.63 C ATOM 350 CD2 TYR A 462 27.511 9.652 8.825 1.00 49.06 C ATOM 351 CE1 TYR A 462 29.419 11.515 9.586 1.00 49.49 C ATOM 352 CE2 TYR A 462 27.124 10.976 9.173 1.00 49.81 C ATOM 353 CZ TYR A 462 28.096 11.889 9.552 1.00 48.78 C ATOM 354 OH TYR A 462 27.781 13.187 9.910 1.00 49.36 O ATOM 355 HA TYR A 462 31.366 8.267 8.883 1.00 0.00 H ATOM 356 HB3 TYR A 462 29.037 7.200 9.332 1.00 0.00 H ATOM 357 HB2 TYR A 462 28.716 7.535 7.614 1.00 0.00 H ATOM 358 HD2 TYR A 462 26.750 8.926 8.537 1.00 0.00 H ATOM 359 HE2 TYR A 462 26.075 11.269 9.142 1.00 0.00 H ATOM 360 HE1 TYR A 462 30.181 12.237 9.881 1.00 0.00 H ATOM 361 HD1 TYR A 462 30.840 9.937 9.289 1.00 0.00 H ATOM 362 HH TYR A 462 28.610 13.674 10.145 1.00 0.00 H ATOM 363 H TYR A 462 30.346 8.581 6.246 1.00 0.00 H ATOM 364 N GLN A 463 30.900 5.363 7.345 1.00 38.95 N ATOM 365 CA GLN A 463 31.288 3.942 7.362 1.00 38.76 C ATOM 366 C GLN A 463 32.808 3.773 7.369 1.00 38.09 C ATOM 367 O GLN A 463 33.367 2.998 8.180 1.00 37.89 O ATOM 368 CB GLN A 463 30.711 3.203 6.152 1.00 38.63 C ATOM 369 CG GLN A 463 29.194 3.019 6.150 1.00 39.42 C ATOM 370 CD GLN A 463 28.735 2.335 4.870 1.00 40.76 C ATOM 371 OE1 GLN A 463 29.198 1.241 4.539 1.00 41.50 O ATOM 372 NE2 GLN A 463 27.859 2.999 4.119 1.00 42.77 N ATOM 373 HA GLN A 463 30.882 3.515 8.279 1.00 0.00 H ATOM 374 HB2 GLN A 463 30.982 3.763 5.257 1.00 0.00 H ATOM 375 HB3 GLN A 463 31.169 2.214 6.113 1.00 0.00 H ATOM 376 HG2 GLN A 463 28.907 2.408 7.005 1.00 0.00 H ATOM 377 HG3 GLN A 463 28.715 3.995 6.226 1.00 0.00 H ATOM 378 HE22 GLN A 463 27.494 3.920 4.437 1.00 0.00 H ATOM 379 HE21 GLN A 463 27.540 2.597 3.214 1.00 0.00 H ATOM 380 H GLN A 463 30.384 5.732 6.521 1.00 0.00 H ATOM 381 N LEU A 464 33.474 4.486 6.460 1.00 37.52 N ATOM 382 CA LEU A 464 34.929 4.450 6.337 1.00 37.07 C ATOM 383 C LEU A 464 35.614 4.775 7.658 1.00 37.00 C ATOM 384 O LEU A 464 36.601 4.124 8.033 1.00 36.58 O ATOM 385 CB LEU A 464 35.390 5.424 5.249 1.00 37.08 C ATOM 386 CG LEU A 464 36.868 5.449 4.873 1.00 38.15 C ATOM 387 CD1 LEU A 464 37.345 4.096 4.315 1.00 38.08 C ATOM 388 CD2 LEU A 464 37.115 6.536 3.859 1.00 37.26 C ATOM 389 HA LEU A 464 35.214 3.436 6.057 1.00 0.00 H ATOM 390 HB2 LEU A 464 34.832 5.184 4.344 1.00 0.00 H ATOM 391 HB3 LEU A 464 35.125 6.428 5.582 1.00 0.00 H ATOM 392 HG LEU A 464 37.438 5.649 5.780 1.00 0.00 H ATOM 393 HD21 LEU A 464 36.518 6.342 2.968 1.00 0.00 H ATOM 394 HD22 LEU A 464 36.833 7.499 4.285 1.00 0.00 H ATOM 395 HD23 LEU A 464 38.172 6.550 3.593 1.00 0.00 H ATOM 396 HD11 LEU A 464 37.198 3.322 5.068 1.00 0.00 H ATOM 397 HD12 LEU A 464 36.770 3.850 3.422 1.00 0.00 H ATOM 398 HD13 LEU A 464 38.403 4.162 4.061 1.00 0.00 H ATOM 399 H LEU A 464 32.934 5.094 5.811 1.00 0.00 H ATOM 400 N PHE A 465 35.091 5.778 8.364 1.00 36.51 N ATOM 401 CA PHE A 465 35.674 6.222 9.644 1.00 36.49 C ATOM 402 C PHE A 465 34.969 5.716 10.905 1.00 37.09 C ATOM 403 O PHE A 465 35.106 6.294 11.994 1.00 36.14 O ATOM 404 CB PHE A 465 35.784 7.749 9.661 1.00 36.03 C ATOM 405 CG PHE A 465 36.779 8.273 8.664 1.00 35.97 C ATOM 406 CD1 PHE A 465 36.362 8.753 7.420 1.00 34.74 C ATOM 407 CD2 PHE A 465 38.136 8.211 8.934 1.00 36.24 C ATOM 408 CE1 PHE A 465 37.281 9.207 6.473 1.00 34.05 C ATOM 409 CE2 PHE A 465 39.077 8.671 7.988 1.00 35.73 C ATOM 410 CZ PHE A 465 38.634 9.164 6.745 1.00 34.54 C ATOM 411 HA PHE A 465 36.661 5.761 9.685 1.00 0.00 H ATOM 412 HB2 PHE A 465 34.806 8.171 9.432 1.00 0.00 H ATOM 413 HB3 PHE A 465 36.090 8.065 10.658 1.00 0.00 H ATOM 414 HD2 PHE A 465 38.480 7.804 9.885 1.00 0.00 H ATOM 415 HE2 PHE A 465 40.142 8.645 8.218 1.00 0.00 H ATOM 416 HZ PHE A 465 39.354 9.509 6.003 1.00 0.00 H ATOM 417 HE1 PHE A 465 36.930 9.596 5.517 1.00 0.00 H ATOM 418 HD1 PHE A 465 35.298 8.773 7.184 1.00 0.00 H ATOM 419 H PHE A 465 34.245 6.262 8.001 1.00 0.00 H ATOM 420 N SER A 466 34.231 4.618 10.771 1.00 37.57 N ATOM 421 CA SER A 466 33.461 4.109 11.901 1.00 38.26 C ATOM 422 C SER A 466 34.290 3.602 13.079 1.00 38.66 C ATOM 423 O SER A 466 33.758 3.462 14.169 1.00 38.35 O ATOM 424 CB SER A 466 32.468 3.049 11.443 1.00 38.86 C ATOM 425 OG SER A 466 33.127 2.148 10.583 1.00 41.48 O ATOM 426 HA SER A 466 32.927 4.976 12.289 1.00 0.00 H ATOM 427 HB2 SER A 466 31.643 3.525 10.913 1.00 0.00 H ATOM 428 HB3 SER A 466 32.080 2.512 12.309 1.00 0.00 H ATOM 429 HG SER A 466 33.479 2.639 9.799 1.00 0.00 H ATOM 430 H SER A 466 34.203 4.121 9.858 1.00 0.00 H ATOM 431 N ALA A 467 35.588 3.379 12.879 1.00 39.89 N ATOM 432 CA ALA A 467 36.475 3.048 13.993 1.00 41.04 C ATOM 433 C ALA A 467 36.700 4.233 14.942 1.00 41.80 C ATOM 434 O ALA A 467 37.155 4.032 16.068 1.00 42.27 O ATOM 435 CB ALA A 467 37.803 2.524 13.472 1.00 41.62 C ATOM 436 HA ALA A 467 35.982 2.268 14.573 1.00 0.00 H ATOM 437 HB1 ALA A 467 37.630 1.628 12.876 1.00 0.00 H ATOM 438 HB2 ALA A 467 38.276 3.287 12.854 1.00 0.00 H ATOM 439 HB3 ALA A 467 38.452 2.282 14.314 1.00 0.00 H ATOM 440 H ALA A 467 35.976 3.441 11.916 1.00 0.00 H ATOM 441 N PHE A 468 36.349 5.451 14.504 1.00 41.50 N ATOM 442 CA PHE A 468 36.611 6.682 15.281 1.00 41.33 C ATOM 443 C PHE A 468 35.377 7.333 15.914 1.00 42.31 C ATOM 444 O PHE A 468 34.265 6.965 15.608 1.00 43.78 O ATOM 445 CB PHE A 468 37.326 7.692 14.392 1.00 40.35 C ATOM 446 CG PHE A 468 38.582 7.168 13.798 1.00 38.28 C ATOM 447 CD1 PHE A 468 38.586 6.633 12.517 1.00 37.49 C ATOM 448 CD2 PHE A 468 39.764 7.180 14.527 1.00 37.33 C ATOM 449 CE1 PHE A 468 39.762 6.136 11.961 1.00 38.69 C ATOM 450 CE2 PHE A 468 40.938 6.692 13.978 1.00 36.28 C ATOM 451 CZ PHE A 468 40.937 6.171 12.695 1.00 37.61 C ATOM 452 HA PHE A 468 37.232 6.373 16.122 1.00 0.00 H ATOM 453 HB2 PHE A 468 36.654 7.978 13.583 1.00 0.00 H ATOM 454 HB3 PHE A 468 37.567 8.571 14.991 1.00 0.00 H ATOM 455 HD2 PHE A 468 39.768 7.578 15.542 1.00 0.00 H ATOM 456 HE2 PHE A 468 41.862 6.718 14.555 1.00 0.00 H ATOM 457 HZ PHE A 468 41.861 5.788 12.262 1.00 0.00 H ATOM 458 HE1 PHE A 468 39.758 5.721 10.953 1.00 0.00 H ATOM 459 HD1 PHE A 468 37.661 6.602 11.942 1.00 0.00 H ATOM 460 H PHE A 468 35.874 5.533 13.582 1.00 0.00 H ATOM 461 N GLY A 469 35.579 8.314 16.787 1.00 42.90 N ATOM 462 CA GLY A 469 34.467 9.035 17.399 1.00 44.13 C ATOM 463 C GLY A 469 34.317 10.448 16.865 1.00 44.90 C ATOM 464 O GLY A 469 35.197 10.945 16.162 1.00 44.71 O ATOM 465 HA3 GLY A 469 34.634 9.085 18.475 1.00 0.00 H ATOM 466 HA2 GLY A 469 33.545 8.488 17.201 1.00 0.00 H ATOM 467 H GLY A 469 36.553 8.575 17.041 1.00 0.00 H ATOM 468 N ASN A 470 33.182 11.072 17.188 1.00 45.64 N ATOM 469 CA ASN A 470 32.879 12.463 16.826 1.00 46.28 C ATOM 470 C ASN A 470 33.288 12.820 15.398 1.00 45.48 C ATOM 471 O ASN A 470 34.080 13.753 15.204 1.00 46.38 O ATOM 472 CB ASN A 470 33.549 13.416 17.837 1.00 46.88 C ATOM 473 CG ASN A 470 33.066 14.866 17.706 1.00 50.27 C ATOM 474 OD1 ASN A 470 32.037 15.144 17.073 1.00 53.07 O ATOM 475 ND2 ASN A 470 33.822 15.801 18.301 1.00 52.04 N ATOM 476 HA ASN A 470 31.796 12.577 16.865 1.00 0.00 H ATOM 477 HB2 ASN A 470 33.327 13.065 18.845 1.00 0.00 H ATOM 478 HB3 ASN A 470 34.627 13.393 17.675 1.00 0.00 H ATOM 479 HD22 ASN A 470 34.678 15.523 18.822 1.00 0.00 H ATOM 480 HD21 ASN A 470 33.552 16.804 18.241 1.00 0.00 H ATOM 481 H ASN A 470 32.469 10.541 17.728 1.00 0.00 H ATOM 482 N ILE A 471 32.816 12.064 14.404 1.00 44.25 N ATOM 483 CA ILE A 471 33.189 12.391 13.020 1.00 43.28 C ATOM 484 C ILE A 471 32.343 13.500 12.373 1.00 42.47 C ATOM 485 O ILE A 471 31.109 13.469 12.423 1.00 42.60 O ATOM 486 CB ILE A 471 33.483 11.163 12.050 1.00 43.88 C ATOM 487 CG1 ILE A 471 32.760 11.325 10.718 1.00 42.95 C ATOM 488 CG2 ILE A 471 33.249 9.804 12.717 1.00 43.95 C ATOM 489 CD1 ILE A 471 33.413 10.627 9.550 1.00 45.87 C ATOM 490 HA ILE A 471 34.178 12.826 13.162 1.00 0.00 H ATOM 491 HB ILE A 471 34.550 11.176 11.826 1.00 0.00 H ATOM 492 HG12 ILE A 471 31.751 10.927 10.830 1.00 0.00 H ATOM 493 HG13 ILE A 471 32.706 12.389 10.489 1.00 0.00 H ATOM 494 HD11 ILE A 471 34.420 11.020 9.410 1.00 0.00 H ATOM 495 HD12 ILE A 471 33.464 9.557 9.750 1.00 0.00 H ATOM 496 HD13 ILE A 471 32.825 10.801 8.649 1.00 0.00 H ATOM 497 HG21 ILE A 471 33.905 9.708 13.582 1.00 0.00 H ATOM 498 HG22 ILE A 471 32.210 9.732 13.037 1.00 0.00 H ATOM 499 HG23 ILE A 471 33.467 9.009 12.004 1.00 0.00 H ATOM 500 H ILE A 471 32.194 11.256 14.606 1.00 0.00 H ATOM 501 N GLN A 472 33.044 14.467 11.792 1.00 40.87 N ATOM 502 CA GLN A 472 32.438 15.647 11.192 1.00 40.18 C ATOM 503 C GLN A 472 33.058 15.833 9.812 1.00 39.64 C ATOM 504 O GLN A 472 34.280 15.868 9.655 1.00 39.95 O ATOM 505 CB GLN A 472 32.596 16.877 12.100 1.00 39.99 C ATOM 506 CG GLN A 472 31.927 16.671 13.471 1.00 40.84 C ATOM 507 CD GLN A 472 32.138 17.799 14.468 1.00 40.74 C ATOM 508 OE1 GLN A 472 33.064 17.759 15.297 1.00 43.97 O ATOM 509 NE2 GLN A 472 31.271 18.793 14.418 1.00 38.62 N ATOM 510 HA GLN A 472 31.362 15.517 11.079 1.00 0.00 H ATOM 511 HB2 GLN A 472 33.658 17.069 12.252 1.00 0.00 H ATOM 512 HB3 GLN A 472 32.139 17.737 11.611 1.00 0.00 H ATOM 513 HG2 GLN A 472 30.855 16.558 13.310 1.00 0.00 H ATOM 514 HG3 GLN A 472 32.326 15.755 13.907 1.00 0.00 H ATOM 515 HE22 GLN A 472 30.512 18.785 13.707 1.00 0.00 H ATOM 516 HE21 GLN A 472 31.347 19.584 15.089 1.00 0.00 H ATOM 517 H GLN A 472 34.080 14.377 11.764 1.00 0.00 H ATOM 518 N ILE A 473 32.209 15.885 8.806 1.00 39.62 N ATOM 519 CA ILE A 473 32.666 16.043 7.427 1.00 40.52 C ATOM 520 C ILE A 473 32.609 17.523 7.021 1.00 41.23 C ATOM 521 O ILE A 473 31.579 18.164 7.185 1.00 42.15 O ATOM 522 CB ILE A 473 31.818 15.193 6.471 1.00 40.13 C ATOM 523 CG1 ILE A 473 31.948 13.700 6.837 1.00 40.27 C ATOM 524 CG2 ILE A 473 32.208 15.447 4.996 1.00 39.79 C ATOM 525 CD1 ILE A 473 30.745 12.894 6.462 1.00 42.88 C ATOM 526 HA ILE A 473 33.698 15.698 7.362 1.00 0.00 H ATOM 527 HB ILE A 473 30.774 15.486 6.581 1.00 0.00 H ATOM 528 HG12 ILE A 473 32.815 13.290 6.319 1.00 0.00 H ATOM 529 HG13 ILE A 473 32.098 13.619 7.914 1.00 0.00 H ATOM 530 HD11 ILE A 473 29.870 13.286 6.981 1.00 0.00 H ATOM 531 HD12 ILE A 473 30.588 12.957 5.385 1.00 0.00 H ATOM 532 HD13 ILE A 473 30.903 11.854 6.747 1.00 0.00 H ATOM 533 HG21 ILE A 473 32.052 16.499 4.756 1.00 0.00 H ATOM 534 HG22 ILE A 473 33.257 15.191 4.850 1.00 0.00 H ATOM 535 HG23 ILE A 473 31.588 14.829 4.346 1.00 0.00 H ATOM 536 H ILE A 473 31.189 15.812 8.998 1.00 0.00 H ATOM 537 N SER A 474 33.723 18.059 6.525 1.00 41.32 N ATOM 538 CA SER A 474 33.734 19.407 5.950 1.00 41.50 C ATOM 539 C SER A 474 33.971 19.277 4.434 1.00 41.35 C ATOM 540 O SER A 474 35.091 19.124 4.003 1.00 41.06 O ATOM 541 CB SER A 474 34.812 20.248 6.615 1.00 40.83 C ATOM 542 OG SER A 474 34.535 20.452 7.997 1.00 41.23 O ATOM 543 HA SER A 474 32.782 19.909 6.122 1.00 0.00 H ATOM 544 HB2 SER A 474 34.864 21.216 6.117 1.00 0.00 H ATOM 545 HB3 SER A 474 35.770 19.738 6.517 1.00 0.00 H ATOM 546 HG SER A 474 34.492 19.576 8.456 1.00 0.00 H ATOM 547 H SER A 474 34.605 17.508 6.546 1.00 0.00 H ATOM 548 N TRP A 475 32.907 19.254 3.641 1.00 42.20 N ATOM 549 CA TRP A 475 33.056 19.035 2.189 1.00 43.42 C ATOM 550 C TRP A 475 33.855 20.144 1.538 1.00 44.25 C ATOM 551 O TRP A 475 33.664 21.314 1.872 1.00 44.18 O ATOM 552 CB TRP A 475 31.704 18.937 1.519 1.00 43.54 C ATOM 553 CG TRP A 475 30.846 17.852 2.066 1.00 44.54 C ATOM 554 CD1 TRP A 475 29.917 17.963 3.055 1.00 44.18 C ATOM 555 CD2 TRP A 475 30.820 16.486 1.640 1.00 44.63 C ATOM 556 NE1 TRP A 475 29.306 16.760 3.268 1.00 43.20 N ATOM 557 CE2 TRP A 475 29.843 15.830 2.419 1.00 44.87 C ATOM 558 CE3 TRP A 475 31.533 15.751 0.681 1.00 44.88 C ATOM 559 CZ2 TRP A 475 29.563 14.463 2.284 1.00 43.67 C ATOM 560 CZ3 TRP A 475 31.243 14.396 0.534 1.00 44.45 C ATOM 561 CH2 TRP A 475 30.269 13.769 1.337 1.00 44.09 C ATOM 562 HA TRP A 475 33.594 18.096 2.062 1.00 0.00 H ATOM 563 HB2 TRP A 475 31.185 19.886 1.650 1.00 0.00 H ATOM 564 HB3 TRP A 475 31.858 18.752 0.456 1.00 0.00 H ATOM 565 HE1 TRP A 475 28.554 16.580 3.963 1.00 0.00 H ATOM 566 HD1 TRP A 475 29.693 18.881 3.599 1.00 0.00 H ATOM 567 HZ2 TRP A 475 28.815 13.973 2.907 1.00 0.00 H ATOM 568 HH2 TRP A 475 30.073 12.705 1.201 1.00 0.00 H ATOM 569 HZ3 TRP A 475 31.778 13.811 -0.214 1.00 0.00 H ATOM 570 HE3 TRP A 475 32.296 16.228 0.066 1.00 0.00 H ATOM 571 H TRP A 475 31.959 19.392 4.047 1.00 0.00 H ATOM 572 N ILE A 476 34.780 19.755 0.659 1.00 45.44 N ATOM 573 CA ILE A 476 35.589 20.667 -0.134 1.00 46.95 C ATOM 574 C ILE A 476 34.985 20.796 -1.548 1.00 48.58 C ATOM 575 O ILE A 476 34.691 21.906 -2.014 1.00 49.39 O ATOM 576 CB ILE A 476 37.072 20.205 -0.204 1.00 46.42 C ATOM 577 CG1 ILE A 476 37.749 20.354 1.169 1.00 46.55 C ATOM 578 CG2 ILE A 476 37.835 20.960 -1.296 1.00 46.80 C ATOM 579 CD1 ILE A 476 39.022 19.567 1.325 1.00 45.62 C ATOM 580 HA ILE A 476 35.582 21.644 0.350 1.00 0.00 H ATOM 581 HB ILE A 476 37.090 19.148 -0.471 1.00 0.00 H ATOM 582 HG12 ILE A 476 37.979 21.408 1.323 1.00 0.00 H ATOM 583 HG13 ILE A 476 37.047 20.021 1.933 1.00 0.00 H ATOM 584 HD11 ILE A 476 38.811 18.506 1.188 1.00 0.00 H ATOM 585 HD12 ILE A 476 39.744 19.895 0.577 1.00 0.00 H ATOM 586 HD13 ILE A 476 39.430 19.732 2.322 1.00 0.00 H ATOM 587 HG21 ILE A 476 37.365 20.772 -2.262 1.00 0.00 H ATOM 588 HG22 ILE A 476 37.812 22.028 -1.081 1.00 0.00 H ATOM 589 HG23 ILE A 476 38.869 20.615 -1.320 1.00 0.00 H ATOM 590 H ILE A 476 34.932 18.734 0.533 1.00 0.00 H ATOM 591 N ASP A 477 34.784 19.664 -2.213 1.00 49.24 N ATOM 592 CA ASP A 477 34.151 19.627 -3.531 1.00 50.22 C ATOM 593 C ASP A 477 33.557 18.240 -3.760 1.00 50.51 C ATOM 594 O ASP A 477 33.285 17.520 -2.789 1.00 50.34 O ATOM 595 CB ASP A 477 35.134 20.039 -4.644 1.00 50.30 C ATOM 596 CG ASP A 477 36.386 19.172 -4.684 1.00 51.75 C ATOM 597 OD1 ASP A 477 36.308 17.977 -4.344 1.00 55.04 O ATOM 598 OD2 ASP A 477 37.461 19.682 -5.049 1.00 52.92 O ATOM 599 HA ASP A 477 33.343 20.358 -3.565 1.00 0.00 H ATOM 600 HB2 ASP A 477 34.625 19.959 -5.604 1.00 0.00 H ATOM 601 HB3 ASP A 477 35.433 21.074 -4.478 1.00 0.00 H ATOM 602 H ASP A 477 35.089 18.769 -1.780 1.00 0.00 H ATOM 603 N ASP A 478 33.354 17.864 -5.024 1.00 50.11 N ATOM 604 CA ASP A 478 32.628 16.629 -5.349 1.00 50.25 C ATOM 605 C ASP A 478 33.380 15.379 -4.908 1.00 48.81 C ATOM 606 O ASP A 478 32.777 14.349 -4.607 1.00 48.75 O ATOM 607 CB ASP A 478 32.346 16.530 -6.865 1.00 50.82 C ATOM 608 CG ASP A 478 31.033 17.194 -7.269 1.00 54.15 C ATOM 609 OD1 ASP A 478 30.403 17.868 -6.411 1.00 55.01 O ATOM 610 OD2 ASP A 478 30.627 17.029 -8.459 1.00 57.05 O ATOM 611 HA ASP A 478 31.688 16.680 -4.800 1.00 0.00 H ATOM 612 HB2 ASP A 478 33.161 17.014 -7.403 1.00 0.00 H ATOM 613 HB3 ASP A 478 32.304 15.477 -7.143 1.00 0.00 H ATOM 614 H ASP A 478 33.718 18.458 -5.796 1.00 0.00 H ATOM 615 N THR A 479 34.702 15.478 -4.903 1.00 47.99 N ATOM 616 CA THR A 479 35.547 14.319 -4.717 1.00 46.90 C ATOM 617 C THR A 479 36.533 14.500 -3.568 1.00 45.26 C ATOM 618 O THR A 479 37.552 13.832 -3.548 1.00 44.89 O ATOM 619 CB THR A 479 36.359 14.022 -5.982 1.00 46.68 C ATOM 620 OG1 THR A 479 37.196 15.145 -6.266 1.00 47.55 O ATOM 621 CG2 THR A 479 35.452 13.710 -7.194 1.00 48.16 C ATOM 622 HA THR A 479 34.873 13.493 -4.489 1.00 0.00 H ATOM 623 HB THR A 479 36.965 13.134 -5.802 1.00 0.00 H ATOM 624 HG1 THR A 479 37.807 15.301 -5.503 1.00 0.00 H ATOM 625 HG23 THR A 479 34.820 12.852 -6.962 1.00 0.00 H ATOM 626 HG21 THR A 479 34.826 14.576 -7.410 1.00 0.00 H ATOM 627 HG22 THR A 479 36.072 13.483 -8.061 1.00 0.00 H ATOM 628 H THR A 479 35.142 16.411 -5.036 1.00 0.00 H ATOM 629 N SER A 480 36.245 15.399 -2.625 1.00 44.41 N ATOM 630 CA SER A 480 37.122 15.590 -1.457 1.00 42.85 C ATOM 631 C SER A 480 36.454 16.318 -0.280 1.00 42.30 C ATOM 632 O SER A 480 35.478 17.061 -0.456 1.00 41.46 O ATOM 633 CB SER A 480 38.464 16.224 -1.842 1.00 42.98 C ATOM 634 OG SER A 480 38.358 17.619 -2.114 1.00 45.67 O ATOM 635 HA SER A 480 37.327 14.585 -1.088 1.00 0.00 H ATOM 636 HB2 SER A 480 38.843 15.723 -2.733 1.00 0.00 H ATOM 637 HB3 SER A 480 39.165 16.081 -1.020 1.00 0.00 H ATOM 638 HG SER A 480 39.249 17.975 -2.356 1.00 0.00 H ATOM 639 H SER A 480 35.385 15.976 -2.716 1.00 0.00 H ATOM 640 N ALA A 481 36.980 16.067 0.923 1.00 40.25 N ATOM 641 CA ALA A 481 36.419 16.589 2.167 1.00 39.00 C ATOM 642 C ALA A 481 37.506 16.556 3.221 1.00 38.53 C ATOM 643 O ALA A 481 38.438 15.755 3.107 1.00 37.64 O ATOM 644 CB ALA A 481 35.237 15.741 2.620 1.00 38.77 C ATOM 645 HA ALA A 481 36.064 17.608 2.013 1.00 0.00 H ATOM 646 HB1 ALA A 481 34.465 15.755 1.851 1.00 0.00 H ATOM 647 HB2 ALA A 481 35.569 14.716 2.784 1.00 0.00 H ATOM 648 HB3 ALA A 481 34.834 16.147 3.548 1.00 0.00 H ATOM 649 H ALA A 481 37.830 15.471 0.976 1.00 0.00 H ATOM 650 N PHE A 482 37.420 17.440 4.221 1.00 37.57 N ATOM 651 CA PHE A 482 38.176 17.220 5.442 1.00 37.13 C ATOM 652 C PHE A 482 37.271 16.409 6.348 1.00 36.24 C ATOM 653 O PHE A 482 36.059 16.554 6.302 1.00 35.88 O ATOM 654 CB PHE A 482 38.577 18.521 6.166 1.00 37.09 C ATOM 655 CG PHE A 482 39.505 19.384 5.383 1.00 37.87 C ATOM 656 CD1 PHE A 482 39.056 20.602 4.856 1.00 37.53 C ATOM 657 CD2 PHE A 482 40.816 18.979 5.132 1.00 36.52 C ATOM 658 CE1 PHE A 482 39.927 21.426 4.113 1.00 37.75 C ATOM 659 CE2 PHE A 482 41.696 19.787 4.376 1.00 36.78 C ATOM 660 CZ PHE A 482 41.245 21.013 3.866 1.00 36.91 C ATOM 661 HA PHE A 482 39.111 16.718 5.195 1.00 0.00 H ATOM 662 HB2 PHE A 482 37.672 19.091 6.375 1.00 0.00 H ATOM 663 HB3 PHE A 482 39.063 18.256 7.105 1.00 0.00 H ATOM 664 HD2 PHE A 482 41.167 18.025 5.525 1.00 0.00 H ATOM 665 HE2 PHE A 482 42.719 19.459 4.191 1.00 0.00 H ATOM 666 HZ PHE A 482 41.915 21.642 3.280 1.00 0.00 H ATOM 667 HE1 PHE A 482 39.576 22.384 3.730 1.00 0.00 H ATOM 668 HD1 PHE A 482 38.025 20.915 5.021 1.00 0.00 H ATOM 669 H PHE A 482 36.815 18.281 4.125 1.00 0.00 H ATOM 670 N VAL A 483 37.868 15.565 7.183 1.00 36.12 N ATOM 671 CA VAL A 483 37.098 14.816 8.157 1.00 35.18 C ATOM 672 C VAL A 483 37.775 15.035 9.497 1.00 35.11 C ATOM 673 O VAL A 483 38.975 14.828 9.632 1.00 35.31 O ATOM 674 CB VAL A 483 37.033 13.308 7.818 1.00 36.04 C ATOM 675 CG1 VAL A 483 36.421 12.519 9.007 1.00 33.74 C ATOM 676 CG2 VAL A 483 36.242 13.078 6.520 1.00 33.31 C ATOM 677 HA VAL A 483 36.065 15.163 8.165 1.00 0.00 H ATOM 678 HB VAL A 483 38.045 12.938 7.654 1.00 0.00 H ATOM 679 HG11 VAL A 483 37.040 12.661 9.893 1.00 0.00 H ATOM 680 HG12 VAL A 483 35.414 12.885 9.204 1.00 0.00 H ATOM 681 HG13 VAL A 483 36.381 11.459 8.756 1.00 0.00 H ATOM 682 HG21 VAL A 483 35.227 13.457 6.642 1.00 0.00 H ATOM 683 HG22 VAL A 483 36.731 13.604 5.700 1.00 0.00 H ATOM 684 HG23 VAL A 483 36.209 12.011 6.301 1.00 0.00 H ATOM 685 H VAL A 483 38.899 15.440 7.137 1.00 0.00 H ATOM 686 N SER A 484 37.023 15.495 10.477 1.00 35.04 N ATOM 687 CA SER A 484 37.579 15.581 11.809 1.00 35.95 C ATOM 688 C SER A 484 37.004 14.464 12.667 1.00 35.71 C ATOM 689 O SER A 484 35.868 14.055 12.482 1.00 36.35 O ATOM 690 CB SER A 484 37.335 16.952 12.435 1.00 35.45 C ATOM 691 OG SER A 484 36.007 17.098 12.845 1.00 38.59 O ATOM 692 HA SER A 484 38.660 15.459 11.747 1.00 0.00 H ATOM 693 HB2 SER A 484 37.566 17.723 11.701 1.00 0.00 H ATOM 694 HB3 SER A 484 37.988 17.068 13.300 1.00 0.00 H ATOM 695 HG SER A 484 35.792 16.403 13.517 1.00 0.00 H ATOM 696 H SER A 484 36.043 15.792 10.295 1.00 0.00 H ATOM 697 N LEU A 485 37.802 13.988 13.602 1.00 36.11 N ATOM 698 CA LEU A 485 37.447 12.820 14.382 1.00 36.71 C ATOM 699 C LEU A 485 38.200 12.805 15.703 1.00 36.28 C ATOM 700 O LEU A 485 39.118 13.615 15.937 1.00 36.12 O ATOM 701 CB LEU A 485 37.715 11.535 13.576 1.00 36.56 C ATOM 702 CG LEU A 485 39.092 11.352 12.947 1.00 38.51 C ATOM 703 CD1 LEU A 485 40.099 10.795 13.956 1.00 38.59 C ATOM 704 CD2 LEU A 485 38.969 10.448 11.700 1.00 42.15 C ATOM 705 HA LEU A 485 36.381 12.864 14.607 1.00 0.00 H ATOM 706 HB2 LEU A 485 37.552 10.692 14.248 1.00 0.00 H ATOM 707 HB3 LEU A 485 36.984 11.501 12.768 1.00 0.00 H ATOM 708 HG LEU A 485 39.473 12.325 12.636 1.00 0.00 H ATOM 709 HD21 LEU A 485 38.570 9.477 11.994 1.00 0.00 H ATOM 710 HD22 LEU A 485 38.297 10.915 10.979 1.00 0.00 H ATOM 711 HD23 LEU A 485 39.953 10.317 11.250 1.00 0.00 H ATOM 712 HD11 LEU A 485 40.191 11.485 14.795 1.00 0.00 H ATOM 713 HD12 LEU A 485 39.752 9.827 14.317 1.00 0.00 H ATOM 714 HD13 LEU A 485 41.069 10.678 13.473 1.00 0.00 H ATOM 715 H LEU A 485 38.709 14.463 13.784 1.00 0.00 H ATOM 716 N SER A 486 37.801 11.870 16.554 1.00 35.87 N ATOM 717 CA SER A 486 38.428 11.659 17.851 1.00 35.65 C ATOM 718 C SER A 486 38.908 10.205 17.894 1.00 35.57 C ATOM 719 O SER A 486 38.202 9.299 17.459 1.00 34.09 O ATOM 720 CB SER A 486 37.418 11.909 18.959 1.00 35.16 C ATOM 721 OG SER A 486 38.016 11.623 20.223 1.00 40.37 O ATOM 722 HA SER A 486 39.264 12.343 17.994 1.00 0.00 H ATOM 723 HB2 SER A 486 36.551 11.264 18.813 1.00 0.00 H ATOM 724 HB3 SER A 486 37.102 12.952 18.934 1.00 0.00 H ATOM 725 HG SER A 486 38.302 10.675 20.245 1.00 0.00 H ATOM 726 H SER A 486 37.004 11.260 16.283 1.00 0.00 H ATOM 727 N GLN A 487 40.129 10.006 18.378 1.00 35.92 N ATOM 728 CA GLN A 487 40.733 8.704 18.439 1.00 36.83 C ATOM 729 C GLN A 487 41.002 8.445 19.923 1.00 36.21 C ATOM 730 O GLN A 487 41.692 9.233 20.562 1.00 35.69 O ATOM 731 CB GLN A 487 42.052 8.745 17.660 1.00 37.14 C ATOM 732 CG GLN A 487 42.986 7.581 17.917 1.00 40.38 C ATOM 733 CD GLN A 487 44.126 7.536 16.928 1.00 45.54 C ATOM 734 OE1 GLN A 487 45.241 7.979 17.219 1.00 48.71 O ATOM 735 NE2 GLN A 487 43.848 7.032 15.739 1.00 45.46 N ATOM 736 HA GLN A 487 40.104 7.924 18.011 1.00 0.00 H ATOM 737 HB2 GLN A 487 41.816 8.760 16.596 1.00 0.00 H ATOM 738 HB3 GLN A 487 42.575 9.663 17.928 1.00 0.00 H ATOM 739 HG2 GLN A 487 43.396 7.675 18.922 1.00 0.00 H ATOM 740 HG3 GLN A 487 42.419 6.653 17.843 1.00 0.00 H ATOM 741 HE22 GLN A 487 42.894 6.670 15.538 1.00 0.00 H ATOM 742 HE21 GLN A 487 44.583 6.997 15.004 1.00 0.00 H ATOM 743 H GLN A 487 40.668 10.824 18.726 1.00 0.00 H ATOM 744 N PRO A 488 40.454 7.353 20.481 1.00 36.16 N ATOM 745 CA PRO A 488 40.804 7.012 21.881 1.00 35.46 C ATOM 746 C PRO A 488 42.317 6.775 22.056 1.00 35.41 C ATOM 747 O PRO A 488 42.960 6.167 21.181 1.00 35.26 O ATOM 748 CB PRO A 488 40.014 5.720 22.127 1.00 35.21 C ATOM 749 CG PRO A 488 38.834 5.820 21.145 1.00 36.52 C ATOM 750 CD PRO A 488 39.508 6.380 19.908 1.00 35.88 C ATOM 751 HA PRO A 488 40.563 7.812 22.581 1.00 0.00 H ATOM 752 HD3 PRO A 488 40.030 5.599 19.355 1.00 0.00 H ATOM 753 HD2 PRO A 488 38.787 6.868 19.252 1.00 0.00 H ATOM 754 HG3 PRO A 488 38.063 6.495 21.517 1.00 0.00 H ATOM 755 HG2 PRO A 488 38.395 4.841 20.950 1.00 0.00 H ATOM 756 HB2 PRO A 488 40.625 4.844 21.912 1.00 0.00 H ATOM 757 HB3 PRO A 488 39.660 5.671 23.157 1.00 0.00 H ATOM 758 N GLU A 489 42.881 7.294 23.144 1.00 35.04 N ATOM 759 CA GLU A 489 44.302 7.100 23.458 1.00 36.12 C ATOM 760 C GLU A 489 44.401 6.054 24.546 1.00 35.63 C ATOM 761 O GLU A 489 44.313 6.378 25.728 1.00 34.44 O ATOM 762 CB GLU A 489 44.952 8.421 23.912 1.00 36.92 C ATOM 763 CG GLU A 489 45.109 9.467 22.784 1.00 39.04 C ATOM 764 CD GLU A 489 45.927 8.947 21.591 1.00 43.01 C ATOM 765 OE1 GLU A 489 46.881 8.163 21.804 1.00 45.62 O ATOM 766 OE2 GLU A 489 45.612 9.311 20.429 1.00 42.17 O ATOM 767 HA GLU A 489 44.837 6.768 22.568 1.00 0.00 H ATOM 768 HB2 GLU A 489 44.334 8.855 24.698 1.00 0.00 H ATOM 769 HB3 GLU A 489 45.941 8.197 24.312 1.00 0.00 H ATOM 770 HG2 GLU A 489 44.117 9.747 22.429 1.00 0.00 H ATOM 771 HG3 GLU A 489 45.609 10.345 23.192 1.00 0.00 H ATOM 772 H GLU A 489 42.295 7.856 23.794 1.00 0.00 H ATOM 773 N GLN A 490 44.553 4.802 24.131 1.00 35.92 N ATOM 774 CA GLN A 490 44.340 3.666 25.028 1.00 37.18 C ATOM 775 C GLN A 490 45.328 3.654 26.180 1.00 36.33 C ATOM 776 O GLN A 490 44.947 3.321 27.278 1.00 36.06 O ATOM 777 CB GLN A 490 44.358 2.323 24.284 1.00 37.53 C ATOM 778 CG GLN A 490 43.221 2.115 23.251 1.00 42.61 C ATOM 779 CD GLN A 490 41.821 1.868 23.860 1.00 49.05 C ATOM 780 OE1 GLN A 490 41.663 1.512 25.056 1.00 50.98 O ATOM 781 NE2 GLN A 490 40.789 2.040 23.018 1.00 51.22 N ATOM 782 HA GLN A 490 43.342 3.797 25.446 1.00 0.00 H ATOM 783 HB2 GLN A 490 45.309 2.244 23.757 1.00 0.00 H ATOM 784 HB3 GLN A 490 44.288 1.527 25.026 1.00 0.00 H ATOM 785 HG2 GLN A 490 43.165 3.006 22.625 1.00 0.00 H ATOM 786 HG3 GLN A 490 43.478 1.254 22.634 1.00 0.00 H ATOM 787 HE22 GLN A 490 40.963 2.335 22.036 1.00 0.00 H ATOM 788 HE21 GLN A 490 39.816 1.878 23.348 1.00 0.00 H ATOM 789 H GLN A 490 44.830 4.625 23.144 1.00 0.00 H ATOM 790 N VAL A 491 46.578 4.027 25.919 1.00 36.75 N ATOM 791 CA VAL A 491 47.596 4.131 26.977 1.00 37.16 C ATOM 792 C VAL A 491 47.210 5.185 28.031 1.00 36.89 C ATOM 793 O VAL A 491 47.232 4.907 29.230 1.00 37.90 O ATOM 794 CB VAL A 491 49.037 4.402 26.417 1.00 37.24 C ATOM 795 CG1 VAL A 491 49.966 4.768 27.542 1.00 37.75 C ATOM 796 CG2 VAL A 491 49.595 3.176 25.665 1.00 36.08 C ATOM 797 HA VAL A 491 47.626 3.155 27.462 1.00 0.00 H ATOM 798 HB VAL A 491 48.967 5.230 25.711 1.00 0.00 H ATOM 799 HG11 VAL A 491 49.598 5.667 28.037 1.00 0.00 H ATOM 800 HG12 VAL A 491 50.008 3.948 28.259 1.00 0.00 H ATOM 801 HG13 VAL A 491 50.963 4.954 27.142 1.00 0.00 H ATOM 802 HG21 VAL A 491 49.644 2.326 26.345 1.00 0.00 H ATOM 803 HG22 VAL A 491 48.940 2.936 24.828 1.00 0.00 H ATOM 804 HG23 VAL A 491 50.594 3.403 25.293 1.00 0.00 H ATOM 805 H VAL A 491 46.844 4.252 24.939 1.00 0.00 H ATOM 806 N LYS A 492 46.829 6.376 27.583 1.00 36.66 N ATOM 807 CA LYS A 492 46.416 7.445 28.487 1.00 36.81 C ATOM 808 C LYS A 492 45.166 7.029 29.270 1.00 35.48 C ATOM 809 O LYS A 492 45.035 7.345 30.459 1.00 34.61 O ATOM 810 CB LYS A 492 46.160 8.757 27.720 1.00 36.72 C ATOM 811 CG LYS A 492 47.430 9.450 27.211 1.00 40.33 C ATOM 812 CD LYS A 492 47.105 10.461 26.092 1.00 39.83 C ATOM 813 CE LYS A 492 48.379 10.996 25.427 1.00 47.71 C ATOM 814 NZ LYS A 492 48.140 12.324 24.744 1.00 51.41 N ATOM 815 HA LYS A 492 47.228 7.622 29.192 1.00 0.00 H ATOM 816 HB2 LYS A 492 45.526 8.533 26.862 1.00 0.00 H ATOM 817 HB3 LYS A 492 45.639 9.445 28.385 1.00 0.00 H ATOM 818 HG2 LYS A 492 47.904 9.977 28.039 1.00 0.00 H ATOM 819 HG3 LYS A 492 48.115 8.696 26.822 1.00 0.00 H ATOM 820 HD2 LYS A 492 46.492 9.969 25.337 1.00 0.00 H ATOM 821 HD3 LYS A 492 46.551 11.297 26.520 1.00 0.00 H ATOM 822 HE2 LYS A 492 48.720 10.274 24.685 1.00 0.00 H ATOM 823 HE3 LYS A 492 49.148 11.124 26.189 1.00 0.00 H ATOM 824 HZ1 LYS A 492 47.411 12.209 24.011 1.00 0.00 H ATOM 825 HZ2 LYS A 492 47.820 13.021 25.446 1.00 0.00 H ATOM 826 HZ3 LYS A 492 49.025 12.652 24.307 1.00 0.00 H ATOM 827 H LYS A 492 46.825 6.552 26.558 1.00 0.00 H ATOM 828 N ILE A 493 44.261 6.308 28.612 1.00 34.24 N ATOM 829 CA ILE A 493 43.039 5.846 29.300 1.00 34.37 C ATOM 830 C ILE A 493 43.387 4.825 30.381 1.00 34.02 C ATOM 831 O ILE A 493 42.886 4.931 31.505 1.00 33.83 O ATOM 832 CB ILE A 493 41.979 5.273 28.317 1.00 34.19 C ATOM 833 CG1 ILE A 493 41.441 6.388 27.386 1.00 35.37 C ATOM 834 CG2 ILE A 493 40.840 4.526 29.084 1.00 33.86 C ATOM 835 CD1 ILE A 493 40.606 5.854 26.185 1.00 34.20 C ATOM 836 HA ILE A 493 42.588 6.720 29.771 1.00 0.00 H ATOM 837 HB ILE A 493 42.459 4.529 27.681 1.00 0.00 H ATOM 838 HG12 ILE A 493 40.810 7.053 27.975 1.00 0.00 H ATOM 839 HG13 ILE A 493 42.290 6.948 26.993 1.00 0.00 H ATOM 840 HD11 ILE A 493 41.226 5.195 25.577 1.00 0.00 H ATOM 841 HD12 ILE A 493 39.745 5.301 26.560 1.00 0.00 H ATOM 842 HD13 ILE A 493 40.264 6.694 25.580 1.00 0.00 H ATOM 843 HG21 ILE A 493 41.268 3.701 29.654 1.00 0.00 H ATOM 844 HG22 ILE A 493 40.345 5.220 29.763 1.00 0.00 H ATOM 845 HG23 ILE A 493 40.116 4.138 28.368 1.00 0.00 H ATOM 846 H ILE A 493 44.415 6.070 27.611 1.00 0.00 H ATOM 847 N ALA A 494 44.249 3.852 30.050 1.00 34.02 N ATOM 848 CA ALA A 494 44.683 2.848 31.038 1.00 34.91 C ATOM 849 C ALA A 494 45.344 3.500 32.248 1.00 35.43 C ATOM 850 O ALA A 494 45.047 3.133 33.399 1.00 36.58 O ATOM 851 CB ALA A 494 45.608 1.800 30.405 1.00 34.82 C ATOM 852 HA ALA A 494 43.788 2.334 31.387 1.00 0.00 H ATOM 853 HB1 ALA A 494 45.079 1.288 29.601 1.00 0.00 H ATOM 854 HB2 ALA A 494 46.492 2.294 30.002 1.00 0.00 H ATOM 855 HB3 ALA A 494 45.908 1.076 31.163 1.00 0.00 H ATOM 856 H ALA A 494 44.618 3.805 29.079 1.00 0.00 H ATOM 857 N VAL A 495 46.227 4.464 31.994 1.00 36.14 N ATOM 858 CA VAL A 495 46.839 5.250 33.071 1.00 36.61 C ATOM 859 C VAL A 495 45.769 5.976 33.914 1.00 37.06 C ATOM 860 O VAL A 495 45.733 5.847 35.146 1.00 36.31 O ATOM 861 CB VAL A 495 47.856 6.267 32.531 1.00 36.70 C ATOM 862 CG1 VAL A 495 48.231 7.289 33.611 1.00 36.85 C ATOM 863 CG2 VAL A 495 49.101 5.548 31.980 1.00 36.60 C ATOM 864 HA VAL A 495 47.370 4.544 33.710 1.00 0.00 H ATOM 865 HB VAL A 495 47.395 6.813 31.708 1.00 0.00 H ATOM 866 HG11 VAL A 495 47.336 7.823 33.931 1.00 0.00 H ATOM 867 HG12 VAL A 495 48.671 6.771 34.463 1.00 0.00 H ATOM 868 HG13 VAL A 495 48.952 7.998 33.204 1.00 0.00 H ATOM 869 HG21 VAL A 495 49.568 4.970 32.778 1.00 0.00 H ATOM 870 HG22 VAL A 495 48.805 4.880 31.171 1.00 0.00 H ATOM 871 HG23 VAL A 495 49.808 6.287 31.603 1.00 0.00 H ATOM 872 H VAL A 495 46.489 4.665 31.008 1.00 0.00 H ATOM 873 N ASN A 496 44.904 6.739 33.249 1.00 37.14 N ATOM 874 CA ASN A 496 43.870 7.485 33.954 1.00 37.24 C ATOM 875 C ASN A 496 42.982 6.570 34.802 1.00 37.67 C ATOM 876 O ASN A 496 42.783 6.818 36.000 1.00 38.15 O ATOM 877 CB ASN A 496 43.049 8.311 32.963 1.00 37.50 C ATOM 878 CG ASN A 496 42.074 9.260 33.659 1.00 37.69 C ATOM 879 OD1 ASN A 496 40.864 9.018 33.686 1.00 39.38 O ATOM 880 ND2 ASN A 496 42.599 10.334 34.223 1.00 31.24 N ATOM 881 HA ASN A 496 44.359 8.169 34.648 1.00 0.00 H ATOM 882 HB2 ASN A 496 43.731 8.899 32.348 1.00 0.00 H ATOM 883 HB3 ASN A 496 42.482 7.632 32.327 1.00 0.00 H ATOM 884 HD22 ASN A 496 43.625 10.498 34.175 1.00 0.00 H ATOM 885 HD21 ASN A 496 41.986 11.016 34.714 1.00 0.00 H ATOM 886 H ASN A 496 44.967 6.803 32.213 1.00 0.00 H ATOM 887 N THR A 497 42.491 5.492 34.201 1.00 36.66 N ATOM 888 CA THR A 497 41.584 4.568 34.887 1.00 37.29 C ATOM 889 C THR A 497 42.213 3.944 36.139 1.00 37.39 C ATOM 890 O THR A 497 41.513 3.701 37.117 1.00 38.01 O ATOM 891 CB THR A 497 41.014 3.506 33.902 1.00 37.33 C ATOM 892 OG1 THR A 497 40.197 4.172 32.926 1.00 37.88 O ATOM 893 CG2 THR A 497 40.192 2.390 34.616 1.00 37.26 C ATOM 894 HA THR A 497 40.739 5.153 35.250 1.00 0.00 H ATOM 895 HB THR A 497 41.859 3.008 33.426 1.00 0.00 H ATOM 896 HG1 THR A 497 40.747 4.829 32.430 1.00 0.00 H ATOM 897 HG23 THR A 497 40.822 1.892 35.353 1.00 0.00 H ATOM 898 HG21 THR A 497 39.331 2.837 35.114 1.00 0.00 H ATOM 899 HG22 THR A 497 39.851 1.664 33.878 1.00 0.00 H ATOM 900 H THR A 497 42.758 5.298 33.215 1.00 0.00 H ATOM 901 N SER A 498 43.533 3.742 36.124 1.00 37.55 N ATOM 902 CA SER A 498 44.252 3.217 37.290 1.00 37.21 C ATOM 903 C SER A 498 44.114 4.070 38.569 1.00 38.52 C ATOM 904 O SER A 498 44.240 3.548 39.694 1.00 38.32 O ATOM 905 CB SER A 498 45.734 2.952 36.954 1.00 36.75 C ATOM 906 OG SER A 498 46.512 4.138 36.908 1.00 33.57 O ATOM 907 HA SER A 498 43.764 2.271 37.526 1.00 0.00 H ATOM 908 HB2 SER A 498 45.788 2.463 35.982 1.00 0.00 H ATOM 909 HB3 SER A 498 46.151 2.292 37.715 1.00 0.00 H ATOM 910 HG SER A 498 46.149 4.743 36.213 1.00 0.00 H ATOM 911 H SER A 498 44.067 3.964 35.260 1.00 0.00 H ATOM 912 N LYS A 499 43.856 5.365 38.404 1.00 39.73 N ATOM 913 CA LYS A 499 43.674 6.268 39.556 1.00 41.78 C ATOM 914 C LYS A 499 42.420 5.930 40.360 1.00 42.49 C ATOM 915 O LYS A 499 42.297 6.324 41.525 1.00 42.29 O ATOM 916 CB LYS A 499 43.638 7.743 39.113 1.00 42.44 C ATOM 917 CG LYS A 499 42.305 8.193 38.453 1.00 43.37 C ATOM 918 CD LYS A 499 42.308 9.688 38.104 1.00 43.16 C ATOM 919 CE LYS A 499 41.134 10.043 37.189 1.00 44.41 C ATOM 920 NZ LYS A 499 41.185 11.455 36.689 1.00 41.46 N ATOM 921 HA LYS A 499 44.537 6.120 40.205 1.00 0.00 H ATOM 922 HB2 LYS A 499 43.809 8.365 39.991 1.00 0.00 H ATOM 923 HB3 LYS A 499 44.443 7.901 38.395 1.00 0.00 H ATOM 924 HG2 LYS A 499 42.154 7.619 37.539 1.00 0.00 H ATOM 925 HG3 LYS A 499 41.486 7.995 39.144 1.00 0.00 H ATOM 926 HD2 LYS A 499 42.231 10.269 39.023 1.00 0.00 H ATOM 927 HD3 LYS A 499 43.241 9.934 37.597 1.00 0.00 H ATOM 928 HE2 LYS A 499 40.206 9.905 37.745 1.00 0.00 H ATOM 929 HE3 LYS A 499 41.146 9.370 36.331 1.00 0.00 H ATOM 930 HZ1 LYS A 499 41.164 12.109 37.498 1.00 0.00 H ATOM 931 HZ2 LYS A 499 42.062 11.598 36.148 1.00 0.00 H ATOM 932 HZ3 LYS A 499 40.364 11.634 36.076 1.00 0.00 H ATOM 933 H LYS A 499 43.781 5.749 37.441 1.00 0.00 H ATOM 934 N TYR A 500 41.486 5.204 39.743 1.00 42.62 N ATOM 935 CA TYR A 500 40.227 4.872 40.415 1.00 43.02 C ATOM 936 C TYR A 500 40.377 3.621 41.255 1.00 44.33 C ATOM 937 O TYR A 500 39.446 3.233 41.977 1.00 45.28 O ATOM 938 CB TYR A 500 39.100 4.694 39.398 1.00 42.04 C ATOM 939 CG TYR A 500 38.695 5.974 38.712 1.00 41.30 C ATOM 940 CD1 TYR A 500 38.210 7.064 39.449 1.00 41.51 C ATOM 941 CD2 TYR A 500 38.772 6.095 37.329 1.00 40.75 C ATOM 942 CE1 TYR A 500 37.824 8.243 38.825 1.00 41.91 C ATOM 943 CE2 TYR A 500 38.392 7.275 36.687 1.00 41.21 C ATOM 944 CZ TYR A 500 37.914 8.339 37.447 1.00 41.78 C ATOM 945 OH TYR A 500 37.528 9.504 36.841 1.00 42.26 O ATOM 946 HA TYR A 500 39.971 5.701 41.074 1.00 0.00 H ATOM 947 HB3 TYR A 500 38.230 4.290 39.915 1.00 0.00 H ATOM 948 HB2 TYR A 500 39.430 3.986 38.638 1.00 0.00 H ATOM 949 HD2 TYR A 500 39.135 5.255 36.737 1.00 0.00 H ATOM 950 HE2 TYR A 500 38.469 7.362 35.603 1.00 0.00 H ATOM 951 HE1 TYR A 500 37.455 9.083 39.413 1.00 0.00 H ATOM 952 HD1 TYR A 500 38.134 6.984 40.533 1.00 0.00 H ATOM 953 HH TYR A 500 37.218 10.145 37.529 1.00 0.00 H ATOM 954 H TYR A 500 41.654 4.869 38.773 1.00 0.00 H ATOM 955 N ALA A 501 41.547 2.985 41.149 1.00 44.71 N ATOM 956 CA ALA A 501 41.852 1.766 41.893 1.00 45.54 C ATOM 957 C ALA A 501 42.995 2.000 42.886 1.00 46.13 C ATOM 958 O ALA A 501 44.091 2.410 42.503 1.00 45.86 O ATOM 959 CB ALA A 501 42.215 0.674 40.951 1.00 44.93 C ATOM 960 HA ALA A 501 40.964 1.478 42.455 1.00 0.00 H ATOM 961 HB1 ALA A 501 41.379 0.485 40.277 1.00 0.00 H ATOM 962 HB2 ALA A 501 43.090 0.971 40.373 1.00 0.00 H ATOM 963 HB3 ALA A 501 42.441 -0.231 41.515 1.00 0.00 H ATOM 964 H ALA A 501 42.270 3.374 40.511 1.00 0.00 H ATOM 965 N GLU A 502 42.734 1.745 44.165 1.00 46.86 N ATOM 966 CA GLU A 502 43.771 1.904 45.192 1.00 47.83 C ATOM 967 C GLU A 502 44.862 0.856 45.074 1.00 46.83 C ATOM 968 O GLU A 502 46.027 1.120 45.369 1.00 47.35 O ATOM 969 CB GLU A 502 43.162 1.829 46.601 1.00 48.58 C ATOM 970 CG GLU A 502 42.429 3.097 47.017 1.00 54.54 C ATOM 971 CD GLU A 502 43.228 4.364 46.727 1.00 60.98 C ATOM 972 OE1 GLU A 502 44.397 4.460 47.186 1.00 63.98 O ATOM 973 OE2 GLU A 502 42.683 5.262 46.038 1.00 63.65 O ATOM 974 HA GLU A 502 44.215 2.886 45.030 1.00 0.00 H ATOM 975 HB2 GLU A 502 42.457 0.998 46.628 1.00 0.00 H ATOM 976 HB3 GLU A 502 43.965 1.645 47.315 1.00 0.00 H ATOM 977 HG2 GLU A 502 41.485 3.148 46.474 1.00 0.00 H ATOM 978 HG3 GLU A 502 42.229 3.049 48.087 1.00 0.00 H ATOM 979 H GLU A 502 41.783 1.429 44.441 1.00 0.00 H ATOM 980 N SER A 503 44.466 -0.348 44.687 1.00 46.06 N ATOM 981 CA SER A 503 45.370 -1.475 44.631 1.00 45.77 C ATOM 982 C SER A 503 46.464 -1.393 43.551 1.00 44.89 C ATOM 983 O SER A 503 47.528 -1.994 43.704 1.00 44.85 O ATOM 984 CB SER A 503 44.558 -2.756 44.470 1.00 46.47 C ATOM 985 OG SER A 503 43.925 -2.806 43.201 1.00 48.83 O ATOM 986 HA SER A 503 45.918 -1.466 45.573 1.00 0.00 H ATOM 987 HB2 SER A 503 43.797 -2.795 45.249 1.00 0.00 H ATOM 988 HB3 SER A 503 45.223 -3.614 44.570 1.00 0.00 H ATOM 989 HG SER A 503 43.407 -3.646 43.125 1.00 0.00 H ATOM 990 H SER A 503 43.472 -0.487 44.415 1.00 0.00 H ATOM 991 N TYR A 504 46.216 -0.681 42.451 1.00 43.16 N ATOM 992 CA TYR A 504 47.200 -0.657 41.355 1.00 41.87 C ATOM 993 C TYR A 504 47.288 0.732 40.726 1.00 41.68 C ATOM 994 O TYR A 504 46.320 1.500 40.793 1.00 41.21 O ATOM 995 CB TYR A 504 46.908 -1.756 40.312 1.00 40.99 C ATOM 996 CG TYR A 504 45.830 -1.377 39.306 1.00 40.45 C ATOM 997 CD1 TYR A 504 44.478 -1.580 39.586 1.00 38.76 C ATOM 998 CD2 TYR A 504 46.167 -0.790 38.085 1.00 40.23 C ATOM 999 CE1 TYR A 504 43.482 -1.220 38.655 1.00 37.84 C ATOM 1000 CE2 TYR A 504 45.189 -0.437 37.155 1.00 39.39 C ATOM 1001 CZ TYR A 504 43.851 -0.649 37.447 1.00 38.75 C ATOM 1002 OH TYR A 504 42.909 -0.258 36.523 1.00 37.70 O ATOM 1003 HA TYR A 504 48.180 -0.879 41.777 1.00 0.00 H ATOM 1004 HB3 TYR A 504 46.586 -2.654 40.839 1.00 0.00 H ATOM 1005 HB2 TYR A 504 47.828 -1.966 39.767 1.00 0.00 H ATOM 1006 HD2 TYR A 504 47.216 -0.604 37.854 1.00 0.00 H ATOM 1007 HE2 TYR A 504 45.477 0.005 36.201 1.00 0.00 H ATOM 1008 HE1 TYR A 504 42.430 -1.389 38.884 1.00 0.00 H ATOM 1009 HD1 TYR A 504 44.188 -2.023 40.538 1.00 0.00 H ATOM 1010 HH TYR A 504 42.005 -0.471 36.865 1.00 0.00 H ATOM 1011 H TYR A 504 45.330 -0.144 42.367 1.00 0.00 H ATOM 1012 N ARG A 505 48.451 1.051 40.148 1.00 41.48 N ATOM 1013 CA ARG A 505 48.679 2.319 39.452 1.00 42.10 C ATOM 1014 C ARG A 505 49.530 2.135 38.194 1.00 41.28 C ATOM 1015 O ARG A 505 50.596 1.540 38.248 1.00 40.15 O ATOM 1016 CB ARG A 505 49.351 3.342 40.376 1.00 42.28 C ATOM 1017 CG ARG A 505 49.501 4.737 39.759 1.00 44.82 C ATOM 1018 CD ARG A 505 49.918 5.794 40.811 1.00 46.37 C ATOM 1019 NE ARG A 505 49.757 7.154 40.287 1.00 55.42 N ATOM 1020 CZ ARG A 505 50.755 7.954 39.905 1.00 58.55 C ATOM 1021 NH1 ARG A 505 52.022 7.552 39.992 1.00 61.21 N ATOM 1022 NH2 ARG A 505 50.484 9.168 39.436 1.00 58.78 N ATOM 1023 HA ARG A 505 47.699 2.692 39.153 1.00 0.00 H ATOM 1024 HB2 ARG A 505 48.752 3.431 41.282 1.00 0.00 H ATOM 1025 HB3 ARG A 505 50.344 2.972 40.633 1.00 0.00 H ATOM 1026 HG2 ARG A 505 50.261 4.697 38.979 1.00 0.00 H ATOM 1027 HG3 ARG A 505 48.548 5.033 39.321 1.00 0.00 H ATOM 1028 HD2 ARG A 505 50.963 5.637 41.079 1.00 0.00 H ATOM 1029 HD3 ARG A 505 49.295 5.678 41.698 1.00 0.00 H ATOM 1030 HE ARG A 505 48.789 7.525 40.207 1.00 0.00 H ATOM 1031 HH12 ARG A 505 52.790 8.185 39.691 1.00 0.00 H ATOM 1032 HH11 ARG A 505 52.243 6.605 40.361 1.00 0.00 H ATOM 1033 HH22 ARG A 505 51.258 9.795 39.137 1.00 0.00 H ATOM 1034 HH21 ARG A 505 49.498 9.491 39.368 1.00 0.00 H ATOM 1035 H ARG A 505 49.231 0.365 40.195 1.00 0.00 H ATOM 1036 N ILE A 506 49.051 2.645 37.061 1.00 40.35 N ATOM 1037 CA ILE A 506 49.827 2.606 35.822 1.00 39.59 C ATOM 1038 C ILE A 506 50.326 4.013 35.575 1.00 40.35 C ATOM 1039 O ILE A 506 49.570 4.970 35.717 1.00 40.94 O ATOM 1040 CB ILE A 506 48.987 2.102 34.614 1.00 39.71 C ATOM 1041 CG1 ILE A 506 48.433 0.692 34.887 1.00 38.40 C ATOM 1042 CG2 ILE A 506 49.805 2.118 33.308 1.00 39.00 C ATOM 1043 CD1 ILE A 506 47.297 0.241 33.896 1.00 37.86 C ATOM 1044 HA ILE A 506 50.652 1.902 35.925 1.00 0.00 H ATOM 1045 HB ILE A 506 48.149 2.788 34.488 1.00 0.00 H ATOM 1046 HG12 ILE A 506 49.255 -0.019 34.811 1.00 0.00 H ATOM 1047 HG13 ILE A 506 48.031 0.673 35.900 1.00 0.00 H ATOM 1048 HD11 ILE A 506 46.458 0.934 33.967 1.00 0.00 H ATOM 1049 HD12 ILE A 506 47.684 0.241 32.877 1.00 0.00 H ATOM 1050 HD13 ILE A 506 46.964 -0.763 34.160 1.00 0.00 H ATOM 1051 HG21 ILE A 506 50.133 3.136 33.099 1.00 0.00 H ATOM 1052 HG22 ILE A 506 50.675 1.470 33.417 1.00 0.00 H ATOM 1053 HG23 ILE A 506 49.184 1.759 32.487 1.00 0.00 H ATOM 1054 H ILE A 506 48.106 3.080 37.057 1.00 0.00 H ATOM 1055 N GLN A 507 51.605 4.152 35.238 1.00 40.20 N ATOM 1056 CA GLN A 507 52.131 5.444 34.836 1.00 41.17 C ATOM 1057 C GLN A 507 53.081 5.311 33.647 1.00 40.99 C ATOM 1058 O GLN A 507 53.640 4.228 33.398 1.00 40.39 O ATOM 1059 CB GLN A 507 52.795 6.162 36.023 1.00 42.15 C ATOM 1060 CG GLN A 507 54.171 5.661 36.434 1.00 42.67 C ATOM 1061 CD GLN A 507 54.590 6.176 37.822 1.00 43.58 C ATOM 1062 OE1 GLN A 507 54.326 7.324 38.182 1.00 46.86 O ATOM 1063 NE2 GLN A 507 55.258 5.320 38.596 1.00 45.67 N ATOM 1064 HA GLN A 507 51.294 6.061 34.509 1.00 0.00 H ATOM 1065 HB2 GLN A 507 52.890 7.216 35.762 1.00 0.00 H ATOM 1066 HB3 GLN A 507 52.134 6.060 36.884 1.00 0.00 H ATOM 1067 HG2 GLN A 507 54.156 4.571 36.454 1.00 0.00 H ATOM 1068 HG3 GLN A 507 54.901 5.999 35.699 1.00 0.00 H ATOM 1069 HE22 GLN A 507 55.461 4.359 38.254 1.00 0.00 H ATOM 1070 HE21 GLN A 507 55.576 5.613 39.542 1.00 0.00 H ATOM 1071 H GLN A 507 52.236 3.325 35.263 1.00 0.00 H ATOM 1072 N THR A 508 53.250 6.396 32.899 1.00 40.67 N ATOM 1073 CA THR A 508 54.179 6.369 31.776 1.00 41.27 C ATOM 1074 C THR A 508 55.611 6.370 32.322 1.00 41.42 C ATOM 1075 O THR A 508 55.847 6.719 33.488 1.00 40.57 O ATOM 1076 CB THR A 508 53.969 7.546 30.791 1.00 41.15 C ATOM 1077 OG1 THR A 508 54.218 8.784 31.454 1.00 41.67 O ATOM 1078 CG2 THR A 508 52.527 7.551 30.181 1.00 42.02 C ATOM 1079 HA THR A 508 53.991 5.461 31.204 1.00 0.00 H ATOM 1080 HB THR A 508 54.674 7.417 29.970 1.00 0.00 H ATOM 1081 HG1 THR A 508 54.082 9.531 30.818 1.00 0.00 H ATOM 1082 HG23 THR A 508 52.344 6.602 29.676 1.00 0.00 H ATOM 1083 HG21 THR A 508 51.797 7.686 30.979 1.00 0.00 H ATOM 1084 HG22 THR A 508 52.440 8.368 29.465 1.00 0.00 H ATOM 1085 H THR A 508 52.720 7.264 33.115 1.00 0.00 H ATOM 1086 N TYR A 509 56.554 5.957 31.484 1.00 42.51 N ATOM 1087 CA TYR A 509 57.967 5.957 31.878 1.00 43.43 C ATOM 1088 C TYR A 509 58.436 7.355 32.302 1.00 44.63 C ATOM 1089 O TYR A 509 59.139 7.487 33.305 1.00 44.83 O ATOM 1090 CB TYR A 509 58.869 5.360 30.780 1.00 42.43 C ATOM 1091 CG TYR A 509 60.268 5.088 31.291 1.00 42.61 C ATOM 1092 CD1 TYR A 509 60.587 3.874 31.913 1.00 42.80 C ATOM 1093 CD2 TYR A 509 61.263 6.062 31.204 1.00 41.98 C ATOM 1094 CE1 TYR A 509 61.882 3.626 32.405 1.00 40.84 C ATOM 1095 CE2 TYR A 509 62.565 5.815 31.679 1.00 42.58 C ATOM 1096 CZ TYR A 509 62.848 4.604 32.292 1.00 40.53 C ATOM 1097 OH TYR A 509 64.115 4.376 32.756 1.00 40.26 O ATOM 1098 HA TYR A 509 58.057 5.309 32.750 1.00 0.00 H ATOM 1099 HB3 TYR A 509 58.927 6.063 29.949 1.00 0.00 H ATOM 1100 HB2 TYR A 509 58.431 4.424 30.433 1.00 0.00 H ATOM 1101 HD2 TYR A 509 61.029 7.030 30.761 1.00 0.00 H ATOM 1102 HE2 TYR A 509 63.344 6.569 31.566 1.00 0.00 H ATOM 1103 HE1 TYR A 509 62.119 2.670 32.871 1.00 0.00 H ATOM 1104 HD1 TYR A 509 59.819 3.108 32.018 1.00 0.00 H ATOM 1105 HH TYR A 509 64.344 5.059 33.435 1.00 0.00 H ATOM 1106 H TYR A 509 56.287 5.629 30.534 1.00 0.00 H ATOM 1107 N ALA A 510 58.006 8.385 31.566 1.00 46.67 N ATOM 1108 CA ALA A 510 58.271 9.790 31.923 1.00 48.44 C ATOM 1109 C ALA A 510 57.772 10.170 33.321 1.00 50.17 C ATOM 1110 O ALA A 510 58.528 10.783 34.091 1.00 51.01 O ATOM 1111 CB ALA A 510 57.711 10.742 30.873 1.00 48.09 C ATOM 1112 HA ALA A 510 59.356 9.890 31.946 1.00 0.00 H ATOM 1113 HB1 ALA A 510 58.177 10.534 29.910 1.00 0.00 H ATOM 1114 HB2 ALA A 510 56.633 10.601 30.794 1.00 0.00 H ATOM 1115 HB3 ALA A 510 57.923 11.770 31.166 1.00 0.00 H ATOM 1116 H ALA A 510 57.460 8.186 30.703 1.00 0.00 H ATOM 1117 N GLU A 511 56.531 9.800 33.665 1.00 51.61 N ATOM 1118 CA GLU A 511 56.001 10.082 35.011 1.00 53.50 C ATOM 1119 C GLU A 511 56.771 9.303 36.076 1.00 53.82 C ATOM 1120 O GLU A 511 56.982 9.804 37.177 1.00 54.08 O ATOM 1121 CB GLU A 511 54.512 9.736 35.168 1.00 53.25 C ATOM 1122 CG GLU A 511 53.589 9.975 33.979 1.00 55.63 C ATOM 1123 CD GLU A 511 52.213 9.300 34.167 1.00 55.58 C ATOM 1124 OE1 GLU A 511 51.696 9.287 35.314 1.00 59.14 O ATOM 1125 OE2 GLU A 511 51.652 8.785 33.174 1.00 56.80 O ATOM 1126 HA GLU A 511 56.123 11.157 35.143 1.00 0.00 H ATOM 1127 HB2 GLU A 511 54.450 8.677 35.418 1.00 0.00 H ATOM 1128 HB3 GLU A 511 54.128 10.327 36.000 1.00 0.00 H ATOM 1129 HG2 GLU A 511 53.441 11.048 33.859 1.00 0.00 H ATOM 1130 HG3 GLU A 511 54.059 9.572 33.082 1.00 0.00 H ATOM 1131 H GLU A 511 55.933 9.307 32.972 1.00 0.00 H ATOM 1132 N TYR A 512 57.153 8.068 35.756 1.00 54.56 N ATOM 1133 CA TYR A 512 57.938 7.225 36.666 1.00 55.37 C ATOM 1134 C TYR A 512 59.279 7.877 37.020 1.00 56.58 C ATOM 1135 O TYR A 512 59.735 7.802 38.167 1.00 56.20 O ATOM 1136 CB TYR A 512 58.157 5.844 36.044 1.00 54.92 C ATOM 1137 CG TYR A 512 59.308 5.058 36.634 1.00 53.88 C ATOM 1138 CD1 TYR A 512 59.207 4.481 37.900 1.00 53.22 C ATOM 1139 CD2 TYR A 512 60.494 4.881 35.915 1.00 53.28 C ATOM 1140 CE1 TYR A 512 60.258 3.761 38.442 1.00 53.62 C ATOM 1141 CE2 TYR A 512 61.551 4.162 36.447 1.00 53.55 C ATOM 1142 CZ TYR A 512 61.422 3.607 37.706 1.00 54.02 C ATOM 1143 OH TYR A 512 62.457 2.893 38.240 1.00 55.34 O ATOM 1144 HA TYR A 512 57.375 7.112 37.592 1.00 0.00 H ATOM 1145 HB3 TYR A 512 58.348 5.978 34.979 1.00 0.00 H ATOM 1146 HB2 TYR A 512 57.245 5.263 36.178 1.00 0.00 H ATOM 1147 HD2 TYR A 512 60.588 5.316 34.920 1.00 0.00 H ATOM 1148 HE2 TYR A 512 62.473 4.035 35.880 1.00 0.00 H ATOM 1149 HE1 TYR A 512 60.171 3.321 39.435 1.00 0.00 H ATOM 1150 HD1 TYR A 512 58.286 4.599 38.471 1.00 0.00 H ATOM 1151 HH TYR A 512 62.202 2.568 39.140 1.00 0.00 H ATOM 1152 H TYR A 512 56.885 7.686 34.826 1.00 0.00 H ATOM 1153 N MET A 513 59.893 8.507 36.018 1.00 58.12 N ATOM 1154 CA MET A 513 61.121 9.280 36.188 1.00 59.95 C ATOM 1155 C MET A 513 60.869 10.550 37.004 1.00 60.75 C ATOM 1156 O MET A 513 61.494 10.752 38.045 1.00 61.18 O ATOM 1157 CB MET A 513 61.728 9.632 34.821 1.00 60.23 C ATOM 1158 CG MET A 513 62.300 8.436 34.085 1.00 61.39 C ATOM 1159 SD MET A 513 63.464 7.528 35.131 1.00 65.77 S ATOM 1160 CE MET A 513 64.960 8.478 34.800 1.00 65.84 C ATOM 1161 HA MET A 513 61.831 8.663 36.738 1.00 0.00 H ATOM 1162 HB2 MET A 513 60.949 10.078 34.202 1.00 0.00 H ATOM 1163 HB3 MET A 513 62.527 10.357 34.975 1.00 0.00 H ATOM 1164 HG2 MET A 513 62.819 8.782 33.191 1.00 0.00 H ATOM 1165 HG3 MET A 513 61.486 7.771 33.797 1.00 0.00 H ATOM 1166 HE1 MET A 513 65.188 8.436 33.735 1.00 0.00 H ATOM 1167 HE2 MET A 513 64.804 9.515 35.098 1.00 0.00 H ATOM 1168 HE3 MET A 513 65.790 8.056 35.367 1.00 0.00 H ATOM 1169 H MET A 513 59.477 8.445 35.067 1.00 0.00 H ATOM 1170 N GLY A 514 59.940 11.384 36.533 1.00 61.61 N ATOM 1171 CA GLY A 514 59.611 12.657 37.187 1.00 62.40 C ATOM 1172 C GLY A 514 58.765 12.507 38.438 1.00 63.05 C ATOM 1173 O GLY A 514 58.979 11.599 39.252 1.00 63.85 O ATOM 1174 HA3 GLY A 514 59.065 13.277 36.476 1.00 0.00 H ATOM 1175 HA2 GLY A 514 60.542 13.153 37.460 1.00 0.00 H ATOM 1176 H GLY A 514 59.428 11.122 35.667 1.00 0.00 H TER 1177 GLY A 514 HETATM 1178 O HOH 1 43.610 0.709 34.046 1.00 31.52 O HETATM 1179 O HOH 2 37.319 3.457 10.594 1.00 37.36 O HETATM 1180 O HOH 3 46.066 15.252 10.336 1.00 45.28 O HETATM 1181 O HOH 4 57.208 8.203 28.803 1.00 40.97 O HETATM 1182 O HOH 5 39.816 1.347 44.655 1.00 41.92 O HETATM 1183 O HOH 6 42.572 1.775 27.435 1.00 38.20 O HETATM 1184 O HOH 7 40.026 6.740 32.149 1.00 42.11 O HETATM 1185 O HOH 8 40.809 18.771 -1.813 1.00 41.51 O HETATM 1186 O HOH 9 45.102 4.332 21.317 1.00 40.72 O HETATM 1187 O HOH 10 39.143 2.502 31.248 1.00 39.06 O HETATM 1188 O HOH 11 42.596 4.482 19.097 1.00 42.70 O HETATM 1189 O HOH 12 47.668 6.786 23.980 1.00 41.78 O HETATM 1190 O HOH 13 37.915 16.051 16.462 1.00 45.72 O HETATM 1191 O HOH 14 46.353 9.680 31.401 1.00 42.02 O HETATM 1192 O HOH 15 35.312 18.334 9.489 1.00 40.54 O HETATM 1193 O HOH 16 65.942 6.135 33.066 1.00 51.78 O HETATM 1194 O HOH 17 31.907 20.265 9.728 1.00 40.69 O HETATM 1195 O HOH 18 43.499 12.694 0.410 1.00 41.86 O HETATM 1196 O HOH 19 49.282 9.324 30.526 1.00 43.28 O HETATM 1197 O HOH 20 29.213 15.623 9.370 1.00 43.91 O HETATM 1198 O HOH 21 24.062 9.576 3.298 1.00 50.10 O HETATM 1199 O HOH 22 30.681 9.745 15.164 1.00 49.57 O HETATM 1200 O HOH 23 34.785 10.321 -9.351 1.00 51.75 O HETATM 1201 O HOH 24 35.413 16.048 15.212 1.00 52.88 O HETATM 1202 O HOH 25 49.263 7.143 37.352 1.00 46.94 O HETATM 1203 O HOH 26 46.308 4.349 41.876 1.00 43.87 O HETATM 1204 O HOH 27 37.663 9.396 21.565 1.00 45.44 O HETATM 1205 O HOH 28 50.198 7.942 24.611 1.00 49.24 O HETATM 1206 O HOH 29 31.585 2.082 14.965 1.00 45.16 O HETATM 1207 O HOH 30 59.846 9.307 27.943 1.00 59.82 O HETATM 1208 O HOH 31 52.381 10.032 37.536 1.00 64.20 O HETATM 1209 O HOH 32 46.695 13.008 12.218 1.00 47.86 O HETATM 1210 O HOH 33 45.771 10.461 33.997 1.00 49.19 O HETATM 1211 O HOH 34 38.047 11.003 -6.826 1.00 55.22 O HETATM 1212 O HOH 35 33.590 19.482 -7.815 1.00 64.08 O HETATM 1213 O HOH 36 37.238 4.590 18.446 1.00 55.55 O HETATM 1214 O HOH 37 40.501 -0.849 37.532 1.00 27.15 O HETATM 1215 O HOH 38 33.813 3.049 -4.237 1.00 49.15 O HETATM 1216 O HOH 39 25.202 21.949 -2.599 1.00 69.54 O HETATM 1217 O HOH 40 41.050 2.341 19.935 1.00 62.26 O HETATM 1218 O HOH 41 54.116 11.011 29.875 1.00 64.83 O HETATM 1219 O HOH 42 47.754 0.545 47.696 1.00 65.18 O HETATM 1220 O HOH 43 24.691 12.624 1.898 1.00 63.58 O HETATM 1221 O HOH 44 27.146 2.263 1.908 1.00 72.75 O HETATM 1222 O HOH 45 27.128 8.713 -10.867 1.00 72.04 O HETATM 1223 O HOH 46 25.777 17.553 -2.580 1.00 58.64 O HETATM 1224 O HOH 47 64.633 3.521 40.187 1.00 46.02 O HETATM 1225 O HOH 48 35.743 8.235 20.372 1.00 64.97 O HETATM 1226 O HOH 49 34.854 5.285 18.632 1.00 50.72 O HETATM 1227 O HOH 50 34.107 10.253 20.985 1.00 67.20 O HETATM 1228 O HOH 51 39.091 -0.068 32.073 1.00 46.01 O HETATM 1229 O HOH 52 38.524 13.755 21.614 1.00 61.28 O HETATM 1230 O HOH 53 32.086 7.354 14.499 1.00 66.95 O HETATM 1231 O HOH 54 46.431 6.323 19.884 1.00 41.87 O HETATM 1232 O HOH 55 34.584 12.760 -10.732 1.00 58.69 O HETATM 1233 O HOH 56 25.714 13.902 -3.583 1.00 72.73 O HETATM 1234 O HOH 57 44.618 15.689 23.070 1.00 73.82 O HETATM 1235 O HOH 58 61.947 1.132 40.574 1.00 56.52 O HETATM 1236 O HOH 59 46.151 10.264 36.980 1.00 57.38 O HETATM 1237 O HOH 60 59.226 6.712 40.388 1.00 62.67 O HETATM 1238 O HOH 61 45.787 12.704 23.613 1.00 64.70 O HETATM 1239 O HOH 62 53.012 4.744 41.063 1.00 66.10 O HETATM 1240 O HOH 63 27.107 23.730 -2.671 1.00 81.26 O HETATM 1241 O HOH 64 39.622 13.006 -7.629 1.00 66.98 O HETATM 1242 O HOH 65 46.568 7.568 37.445 1.00 65.50 O HETATM 1243 O HOH 66 46.119 15.305 17.015 1.00 57.10 O HETATM 1244 O HOH 67 45.682 11.956 30.359 1.00 55.01 O HETATM 1245 O HOH 68 30.496 23.091 1.628 1.00 67.80 O HETATM 1246 O HOH 69 36.092 15.588 19.758 1.00 63.11 O HETATM 1247 PA MGP A 70 26.430 21.075 0.589 1.00 0.33 P HETATM 1248 O1A MGP A 70 25.622 19.989 -0.029 1.00 -0.57 O HETATM 1249 O2A MGP A 70 26.095 22.500 0.292 1.00 -0.57 O HETATM 1250 O3A MGP A 70 26.429 20.832 2.180 1.00 -0.12 O HETATM 1251 PB MGP A 70 27.443 21.627 3.144 1.00 0.36 P HETATM 1252 O1B MGP A 70 27.308 23.079 2.882 1.00 -0.57 O HETATM 1253 O2B MGP A 70 28.776 20.992 3.068 1.00 -0.57 O HETATM 1254 O3B MGP A 70 26.793 21.312 4.578 1.00 -0.15 O HETATM 1255 PC MGP A 70 26.761 19.820 5.197 1.00 0.19 P HETATM 1256 O1C MGP A 70 28.099 19.217 5.433 1.00 -0.61 O HETATM 1257 O2C MGP A 70 25.834 18.894 4.247 1.00 -0.61 O HETATM 1258 O3C MGP A 70 25.929 19.996 6.579 1.00 -0.61 O HETATM 1259 O5' MGP A 70 27.996 20.800 0.244 1.00 -0.24 O HETATM 1260 C5' MGP A 70 28.745 21.618 -0.664 1.00 0.11 C HETATM 1261 C4' MGP A 70 29.581 20.788 -1.650 1.00 0.12 C HETATM 1262 O4' MGP A 70 30.173 19.607 -1.019 1.00 -0.35 O HETATM 1263 C1' MGP A 70 30.080 18.485 -1.932 1.00 0.17 C HETATM 1264 C2' MGP A 70 29.478 19.024 -3.245 1.00 0.12 C HETATM 1265 C3' MGP A 70 28.694 20.253 -2.778 1.00 0.11 C HETATM 1266 O3' MGP A 70 28.624 21.239 -3.826 1.00 -0.39 O HETATM 1267 H5 MGP A 70 28.253 22.042 -3.479 1.00 0.21 H HETATM 1268 H4 MGP A 70 27.686 19.989 -2.427 1.00 0.06 H HETATM 1269 O2' MGP A 70 30.540 19.418 -4.124 1.00 -0.39 O HETATM 1270 H7 MGP A 70 31.018 18.647 -4.406 1.00 0.21 H HETATM 1271 H6 MGP A 70 28.826 18.285 -3.734 1.00 0.07 H HETATM 1272 N9 MGP A 70 29.176 17.475 -1.325 1.00 -0.16 N HETATM 1273 C8 MGP A 70 28.265 17.691 -0.373 1.00 0.23 C HETATM 1274 N7 MGP A 70 27.653 16.541 -0.113 1.00 -0.05 N HETATM 1275 CM7 MGP A 70 26.580 16.415 0.905 1.00 0.10 C HETATM 1276 H10 MGP A 70 26.392 17.397 1.363 1.00 0.07 H HETATM 1277 H11 MGP A 70 26.893 15.702 1.682 1.00 0.07 H HETATM 1278 H12 MGP A 70 25.659 16.052 0.424 1.00 0.07 H HETATM 1279 C5 MGP A 70 28.157 15.567 -0.879 1.00 0.45 C HETATM 1280 C6 MGP A 70 27.934 14.192 -1.035 1.00 0.41 C HETATM 1281 O6 MGP A 70 27.095 13.579 -0.371 1.00 -0.28 O HETATM 1282 N1 MGP A 70 28.695 13.498 -1.977 1.00 -0.22 N HETATM 1283 C2 MGP A 70 29.661 14.187 -2.724 1.00 0.23 C HETATM 1284 N2 MGP A 70 30.411 13.558 -3.623 1.00 -0.33 N HETATM 1285 H14 MGP A 70 31.116 14.081 -4.162 1.00 0.18 H HETATM 1286 H15 MGP A 70 30.288 12.548 -3.780 1.00 0.18 H HETATM 1287 N3 MGP A 70 29.846 15.497 -2.553 1.00 -0.15 N HETATM 1288 C4 MGP A 70 29.136 16.187 -1.654 1.00 0.41 C HETATM 1289 H16 MGP A 70 30.549 15.986 -3.124 1.00 0.29 H HETATM 1290 H13 MGP A 70 28.553 12.518 -2.118 1.00 0.19 H HETATM 1291 H9 MGP A 70 28.059 18.646 0.108 1.00 0.22 H HETATM 1292 H8 MGP A 70 31.071 18.046 -2.116 1.00 0.08 H HETATM 1293 H3 MGP A 70 30.376 21.425 -2.064 1.00 0.07 H HETATM 1294 H1 MGP A 70 29.421 22.262 -0.083 1.00 0.06 H HETATM 1295 H2 MGP A 70 28.044 22.244 -1.236 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1247 1248 1249 1250 1259 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 1251 CONECT 1251 1250 1252 1253 1254 CONECT 1252 1251 CONECT 1253 1251 CONECT 1254 1251 1255 CONECT 1255 1254 1256 1257 1258 CONECT 1256 1255 CONECT 1257 1255 CONECT 1258 1255 CONECT 1259 1247 1260 CONECT 1260 1259 1261 1294 1295 CONECT 1261 1260 1262 1265 1293 CONECT 1262 1261 1263 CONECT 1263 1262 1264 1272 1292 CONECT 1264 1263 1265 1269 1271 CONECT 1265 1261 1264 1266 1268 CONECT 1266 1265 1267 CONECT 1267 1266 CONECT 1268 1265 CONECT 1269 1264 1270 CONECT 1270 1269 CONECT 1271 1264 CONECT 1272 1263 1273 1288 CONECT 1273 1272 1274 1291 CONECT 1274 1273 1275 1279 CONECT 1275 1274 1276 1277 1278 CONECT 1276 1275 CONECT 1277 1275 CONECT 1278 1275 CONECT 1279 1274 1280 1288 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 1283 1290 CONECT 1283 1282 1284 1287 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 CONECT 1287 1283 1288 1289 CONECT 1288 1272 1279 1287 CONECT 1289 1287 CONECT 1290 1282 CONECT 1291 1273 CONECT 1292 1263 CONECT 1293 1261 CONECT 1294 1260 CONECT 1295 1260 MASTER 0 0 0 0 0 0 0 0 1294 1 53 6 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3ctr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4emr
RCSB PDB
PDBbind
MGP
Entry Information
PDB ID
3ctr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
m7GTP
Ligand Name
MGP
EC.Number
E.C.3.1.13.4
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=6.94uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 382: pp. 827-834
Ligand Properties
Formula
C
1
1
H
2
3
N
5
O
1
4
P
3
Molecular Weight
542.247
Exact Mass
542.045
No. of atoms
56
No. of bonds
58
Polar Surface Area
342.64
LOGP Value
-5.48 (
Computed with XLOGP3
)
-3.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cn(c2c1[nH]c(N)[nH+]c2=O)C
InChI String
InChI=1S/C11H25N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18,20-26,31-33H,2H2,1H3,(H3,12,13,14,19)/p+1/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O95453
Entrez Gene ID
NCBI Entrez Gene ID:
5073
ASD
Information of known allosteric effects of PDB entries
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