Browse entries in the PDBbind-CN Database
HEADER 4IBB_COMPLEX COMPND 4IBB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASP ILE SER ALA LYS ASP LEU ARG ASN ILE MET TYR ASP SEQRES 2 A 123 HIS LEU PRO GLY PHE GLY THR ALA PHE HIS GLN LEU VAL SEQRES 3 A 123 GLN VAL ILE CYS LYS LEU GLY LYS ASP SER ASN SER LEU SEQRES 4 A 123 ASP ILE ILE HIS ALA GLU PHE GLN ALA SER LEU ALA GLU SEQRES 5 A 123 GLY ASP SER PRO GLN CYS ALA LEU ILE GLN ILE THR LYS SEQRES 6 A 123 ARG VAL PRO ILE PHE GLN ASP ALA ALA PRO PRO VAL ILE SEQRES 7 A 123 HIS ILE ARG SER ARG GLY ASP ILE PRO ARG ALA CYS GLN SEQRES 8 A 123 LYS SER LEU ARG PRO VAL PRO PRO SER PRO LYS ILE ASP SEQRES 9 A 123 ARG GLY TRP VAL CYS VAL PHE GLN LEU GLN ASP GLY LYS SEQRES 10 A 123 THR LEU GLY LEU LYS ILE HET UNN A 196 55 ATOM 1 N ASP A 218 -9.516 22.549 -16.627 1.00 46.05 N ATOM 2 CA ASP A 218 -9.145 23.359 -15.470 1.00 35.25 C ATOM 3 C ASP A 218 -7.825 22.918 -14.855 1.00 31.02 C ATOM 4 O ASP A 218 -7.687 21.782 -14.399 1.00 40.48 O ATOM 5 CB ASP A 218 -10.235 23.312 -14.403 1.00 37.27 C ATOM 6 CG ASP A 218 -11.340 24.310 -14.659 1.00 45.27 C ATOM 7 OD1 ASP A 218 -11.452 24.792 -15.805 1.00 44.34 O ATOM 8 OD2 ASP A 218 -12.087 24.622 -13.707 1.00 43.34 O ATOM 9 HN3 ASP A 218 -9.612 21.555 -16.336 1.00 0.00 H ATOM 10 HN2 ASP A 218 -8.778 22.629 -17.356 1.00 0.00 H ATOM 11 HN1 ASP A 218 -10.421 22.888 -17.010 1.00 0.00 H ATOM 12 N ILE A 219 -6.864 23.833 -14.832 1.00 32.13 N ATOM 13 CA ILE A 219 -5.559 23.555 -14.242 1.00 29.30 C ATOM 14 C ILE A 219 -5.699 23.201 -12.755 1.00 24.21 C ATOM 15 O ILE A 219 -6.384 23.892 -11.990 1.00 31.15 O ATOM 16 CB ILE A 219 -4.608 24.760 -14.445 1.00 27.27 C ATOM 17 CG1 ILE A 219 -3.218 24.452 -13.903 1.00 33.15 C ATOM 18 CG2 ILE A 219 -5.181 26.038 -13.809 1.00 28.18 C ATOM 19 CD1 ILE A 219 -2.241 25.569 -14.147 1.00 42.45 C ATOM 20 H ILE A 219 -7.045 24.770 -15.244 1.00 0.00 H ATOM 21 N SER A 220 -5.092 22.083 -12.361 1.00 26.96 N ATOM 22 CA SER A 220 -5.114 21.632 -10.973 1.00 22.40 C ATOM 23 C SER A 220 -3.884 22.125 -10.221 1.00 23.22 C ATOM 24 O SER A 220 -2.929 22.601 -10.841 1.00 22.55 O ATOM 25 CB SER A 220 -5.166 20.112 -10.904 1.00 36.08 C ATOM 26 OG SER A 220 -3.945 19.559 -11.360 1.00 33.59 O ATOM 27 HG SER A 220 -3.788 19.836 -12.297 1.00 0.00 H ATOM 28 H SER A 220 -4.585 21.512 -13.067 1.00 0.00 H ATOM 29 N ALA A 221 -3.896 21.975 -8.900 1.00 22.26 N ATOM 30 CA ALA A 221 -2.757 22.386 -8.079 1.00 22.36 C ATOM 31 C ALA A 221 -1.512 21.603 -8.479 1.00 26.87 C ATOM 32 O ALA A 221 -0.431 22.175 -8.612 1.00 25.23 O ATOM 33 CB ALA A 221 -3.059 22.197 -6.613 1.00 26.74 C ATOM 34 H ALA A 221 -4.731 21.558 -8.442 1.00 0.00 H ATOM 35 N LYS A 222 -1.673 20.295 -8.670 1.00 28.07 N ATOM 36 CA LYS A 222 -0.575 19.426 -9.103 1.00 22.10 C ATOM 37 C LYS A 222 0.000 19.853 -10.453 1.00 27.50 C ATOM 38 O LYS A 222 1.223 19.930 -10.614 1.00 23.00 O ATOM 39 CB LYS A 222 -1.056 17.976 -9.179 1.00 38.71 C ATOM 40 CG LYS A 222 -0.001 16.980 -9.633 1.00 58.12 C ATOM 41 CD LYS A 222 -0.628 15.623 -9.930 1.00 51.94 C ATOM 42 CE LYS A 222 0.381 14.661 -10.534 1.00 63.63 C ATOM 43 NZ LYS A 222 -0.270 13.408 -11.019 1.00 61.34 N ATOM 44 HZ1 LYS A 222 -0.740 12.932 -10.222 1.00 0.00 H ATOM 45 HZ2 LYS A 222 -0.974 13.644 -11.747 1.00 0.00 H ATOM 46 HZ3 LYS A 222 0.452 12.778 -11.424 1.00 0.00 H ATOM 47 H LYS A 222 -2.610 19.875 -8.506 1.00 0.00 H ATOM 48 N ASP A 223 -0.883 20.110 -11.423 1.00 27.00 N ATOM 49 CA ASP A 223 -0.471 20.556 -12.756 1.00 23.89 C ATOM 50 C ASP A 223 0.371 21.827 -12.691 1.00 21.52 C ATOM 51 O ASP A 223 1.392 21.940 -13.372 1.00 23.19 O ATOM 52 CB ASP A 223 -1.685 20.818 -13.654 1.00 32.21 C ATOM 53 CG ASP A 223 -2.393 19.541 -14.079 1.00 46.95 C ATOM 54 OD1 ASP A 223 -3.533 19.641 -14.587 1.00 46.26 O ATOM 55 OD2 ASP A 223 -1.818 18.446 -13.901 1.00 47.29 O ATOM 56 H ASP A 223 -1.897 19.989 -11.225 1.00 0.00 H ATOM 57 N LEU A 224 -0.080 22.788 -11.888 1.00 22.87 N ATOM 58 CA LEU A 224 0.593 24.083 -11.812 1.00 24.29 C ATOM 59 C LEU A 224 1.947 23.942 -11.103 1.00 20.37 C ATOM 60 O LEU A 224 2.934 24.555 -11.504 1.00 20.21 O ATOM 61 CB LEU A 224 -0.287 25.112 -11.099 1.00 18.57 C ATOM 62 CG LEU A 224 0.289 26.527 -10.975 1.00 24.84 C ATOM 63 CD1 LEU A 224 0.659 27.109 -12.336 1.00 19.92 C ATOM 64 CD2 LEU A 224 -0.691 27.428 -10.246 1.00 23.49 C ATOM 65 H LEU A 224 -0.924 22.615 -11.306 1.00 0.00 H ATOM 66 N ARG A 225 1.987 23.125 -10.057 1.00 20.00 N ATOM 67 CA ARG A 225 3.247 22.847 -9.381 1.00 21.37 C ATOM 68 C ARG A 225 4.284 22.310 -10.373 1.00 27.94 C ATOM 69 O ARG A 225 5.434 22.773 -10.412 1.00 20.79 O ATOM 70 CB ARG A 225 3.033 21.855 -8.232 1.00 19.38 C ATOM 71 CG ARG A 225 4.269 21.651 -7.379 1.00 31.33 C ATOM 72 CD ARG A 225 4.069 20.537 -6.367 1.00 39.46 C ATOM 73 NE ARG A 225 4.167 19.228 -7.001 1.00 49.55 N ATOM 74 CZ ARG A 225 3.181 18.340 -7.033 1.00 63.82 C ATOM 75 NH1 ARG A 225 2.017 18.619 -6.459 1.00 62.69 N ATOM 76 NH2 ARG A 225 3.361 17.173 -7.637 1.00 69.66 N ATOM 77 HE ARG A 225 5.066 18.974 -7.457 1.00 0.00 H ATOM 78 HH12 ARG A 225 1.245 17.923 -6.484 1.00 0.00 H ATOM 79 HH11 ARG A 225 1.877 19.534 -5.984 1.00 0.00 H ATOM 80 HH22 ARG A 225 2.589 16.476 -7.663 1.00 0.00 H ATOM 81 HH21 ARG A 225 4.274 16.955 -8.085 1.00 0.00 H ATOM 82 H ARG A 225 1.111 22.680 -9.717 1.00 0.00 H ATOM 83 N ASN A 226 3.869 21.353 -11.197 1.00 25.11 N ATOM 84 CA ASN A 226 4.784 20.746 -12.160 1.00 26.61 C ATOM 85 C ASN A 226 5.195 21.724 -13.251 1.00 24.34 C ATOM 86 O ASN A 226 6.343 21.722 -13.715 1.00 25.74 O ATOM 87 CB ASN A 226 4.151 19.491 -12.776 1.00 27.95 C ATOM 88 CG ASN A 226 4.007 18.363 -11.773 1.00 28.86 C ATOM 89 OD1 ASN A 226 4.741 18.299 -10.786 1.00 40.93 O ATOM 90 ND2 ASN A 226 3.053 17.472 -12.012 1.00 38.15 N ATOM 91 HD22 ASN A 226 2.456 17.564 -12.858 1.00 0.00 H ATOM 92 HD21 ASN A 226 2.903 16.682 -11.353 1.00 0.00 H ATOM 93 H ASN A 226 2.880 21.033 -11.155 1.00 0.00 H ATOM 94 N ILE A 227 4.256 22.564 -13.668 1.00 21.89 N ATOM 95 CA ILE A 227 4.568 23.607 -14.632 1.00 20.28 C ATOM 96 C ILE A 227 5.641 24.549 -14.082 1.00 23.73 C ATOM 97 O ILE A 227 6.614 24.871 -14.760 1.00 20.52 O ATOM 98 CB ILE A 227 3.325 24.402 -15.000 1.00 24.23 C ATOM 99 CG1 ILE A 227 2.470 23.608 -15.995 1.00 24.48 C ATOM 100 CG2 ILE A 227 3.698 25.742 -15.594 1.00 23.83 C ATOM 101 CD1 ILE A 227 1.102 24.186 -16.194 1.00 26.83 C ATOM 102 H ILE A 227 3.287 22.475 -13.301 1.00 0.00 H ATOM 103 N MET A 228 5.479 24.970 -12.834 1.00 19.27 N ATOM 104 CA MET A 228 6.446 25.875 -12.230 1.00 18.08 C ATOM 105 C MET A 228 7.779 25.179 -11.927 1.00 17.23 C ATOM 106 O MET A 228 8.848 25.735 -12.189 1.00 19.82 O ATOM 107 CB MET A 228 5.852 26.495 -10.955 1.00 17.07 C ATOM 108 CG MET A 228 4.656 27.419 -11.243 1.00 18.50 C ATOM 109 SD MET A 228 3.922 28.041 -9.722 1.00 21.35 S ATOM 110 CE MET A 228 2.888 29.350 -10.381 1.00 22.79 C ATOM 111 H MET A 228 4.656 24.651 -12.284 1.00 0.00 H ATOM 112 N TYR A 229 7.722 23.969 -11.379 1.00 21.18 N ATOM 113 CA TYR A 229 8.944 23.201 -11.112 1.00 22.48 C ATOM 114 C TYR A 229 9.819 23.091 -12.355 1.00 28.80 C ATOM 115 O TYR A 229 11.046 23.201 -12.285 1.00 24.18 O ATOM 116 CB TYR A 229 8.624 21.788 -10.615 1.00 26.25 C ATOM 117 CG TYR A 229 8.347 21.653 -9.131 1.00 21.70 C ATOM 118 CD1 TYR A 229 8.169 22.764 -8.319 1.00 21.58 C ATOM 119 CD2 TYR A 229 8.259 20.397 -8.547 1.00 31.02 C ATOM 120 CE1 TYR A 229 7.912 22.618 -6.954 1.00 27.17 C ATOM 121 CE2 TYR A 229 7.999 20.243 -7.200 1.00 41.76 C ATOM 122 CZ TYR A 229 7.824 21.354 -6.405 1.00 30.21 C ATOM 123 OH TYR A 229 7.579 21.178 -5.055 1.00 29.24 O ATOM 124 HH TYR A 229 7.477 22.062 -4.621 1.00 0.00 H ATOM 125 H TYR A 229 6.797 23.560 -11.136 1.00 0.00 H ATOM 126 N ASP A 230 9.171 22.877 -13.493 1.00 22.53 N ATOM 127 CA ASP A 230 9.870 22.691 -14.752 1.00 21.51 C ATOM 128 C ASP A 230 10.750 23.882 -15.122 1.00 28.34 C ATOM 129 O ASP A 230 11.712 23.738 -15.866 1.00 26.78 O ATOM 130 CB ASP A 230 8.846 22.419 -15.855 1.00 28.85 C ATOM 131 CG ASP A 230 9.490 22.188 -17.198 1.00 69.01 C ATOM 132 OD1 ASP A 230 10.197 21.164 -17.340 1.00 73.00 O ATOM 133 OD2 ASP A 230 9.302 23.029 -18.109 1.00 62.79 O ATOM 134 H ASP A 230 8.132 22.841 -13.483 1.00 0.00 H ATOM 135 N HIS A 231 10.426 25.064 -14.609 1.00 18.76 N ATOM 136 CA HIS A 231 11.237 26.250 -14.896 1.00 18.06 C ATOM 137 C HIS A 231 12.342 26.521 -13.857 1.00 19.49 C ATOM 138 O HIS A 231 13.143 27.438 -14.038 1.00 23.19 O ATOM 139 CB HIS A 231 10.333 27.478 -15.006 1.00 20.83 C ATOM 140 CG HIS A 231 9.456 27.473 -16.225 1.00 21.94 C ATOM 141 ND1 HIS A 231 9.820 28.087 -17.404 1.00 25.20 N ATOM 142 CD2 HIS A 231 8.244 26.916 -16.451 1.00 27.01 C ATOM 143 CE1 HIS A 231 8.865 27.915 -18.302 1.00 22.56 C ATOM 144 NE2 HIS A 231 7.896 27.208 -17.749 1.00 30.89 N ATOM 145 H HIS A 231 9.589 25.148 -13.998 1.00 0.00 H ATOM 146 N LEU A 232 12.387 25.745 -12.775 1.00 18.32 N ATOM 147 CA LEU A 232 13.340 26.032 -11.689 1.00 16.91 C ATOM 148 C LEU A 232 14.575 25.135 -11.736 1.00 22.41 C ATOM 149 O LEU A 232 14.456 23.944 -12.021 1.00 19.77 O ATOM 150 CB LEU A 232 12.668 25.875 -10.314 1.00 15.33 C ATOM 151 CG LEU A 232 11.560 26.863 -9.942 1.00 18.04 C ATOM 152 CD1 LEU A 232 10.927 26.474 -8.609 1.00 19.84 C ATOM 153 CD2 LEU A 232 12.167 28.251 -9.853 1.00 18.79 C ATOM 154 H LEU A 232 11.745 24.931 -12.697 1.00 0.00 H ATOM 155 N PRO A 233 15.756 25.702 -11.428 1.00 20.05 N ATOM 156 CA PRO A 233 16.974 24.893 -11.277 1.00 26.59 C ATOM 157 C PRO A 233 17.021 24.208 -9.910 1.00 25.92 C ATOM 158 O PRO A 233 16.383 24.665 -8.955 1.00 18.75 O ATOM 159 CB PRO A 233 18.094 25.922 -11.416 1.00 26.66 C ATOM 160 CG PRO A 233 17.500 27.178 -10.841 1.00 19.18 C ATOM 161 CD PRO A 233 16.009 27.130 -11.170 1.00 21.60 C ATOM 162 N GLY A 234 17.764 23.113 -9.813 1.00 24.09 N ATOM 163 CA GLY A 234 17.904 22.429 -8.542 1.00 28.48 C ATOM 164 C GLY A 234 16.654 21.679 -8.125 1.00 31.78 C ATOM 165 O GLY A 234 15.753 21.437 -8.939 1.00 23.21 O ATOM 166 H GLY A 234 18.250 22.743 -10.655 1.00 0.00 H ATOM 167 N PHE A 235 16.604 21.310 -6.845 1.00 22.11 N ATOM 168 CA PHE A 235 15.498 20.531 -6.304 1.00 22.69 C ATOM 169 C PHE A 235 15.387 20.776 -4.795 1.00 16.95 C ATOM 170 O PHE A 235 16.395 20.743 -4.091 1.00 22.83 O ATOM 171 CB PHE A 235 15.706 19.048 -6.598 1.00 33.01 C ATOM 172 CG PHE A 235 14.596 18.175 -6.116 1.00 47.35 C ATOM 173 CD1 PHE A 235 13.377 18.153 -6.773 1.00 56.88 C ATOM 174 CD2 PHE A 235 14.771 17.370 -5.001 1.00 64.76 C ATOM 175 CE1 PHE A 235 12.348 17.342 -6.327 1.00 62.94 C ATOM 176 CE2 PHE A 235 13.749 16.554 -4.548 1.00 59.35 C ATOM 177 CZ PHE A 235 12.535 16.542 -5.212 1.00 63.31 C ATOM 178 H PHE A 235 17.381 21.587 -6.211 1.00 0.00 H ATOM 179 N GLY A 236 14.169 20.999 -4.313 1.00 22.40 N ATOM 180 CA GLY A 236 13.947 21.259 -2.898 1.00 22.69 C ATOM 181 C GLY A 236 14.526 22.584 -2.441 1.00 25.21 C ATOM 182 O GLY A 236 14.918 22.738 -1.277 1.00 25.64 O ATOM 183 H GLY A 236 13.356 20.988 -4.961 1.00 0.00 H ATOM 184 N THR A 237 14.601 23.542 -3.359 1.00 19.31 N ATOM 185 CA THR A 237 15.115 24.873 -3.037 1.00 15.49 C ATOM 186 C THR A 237 14.005 25.695 -2.398 1.00 15.36 C ATOM 187 O THR A 237 12.857 25.265 -2.383 1.00 16.39 O ATOM 188 CB THR A 237 15.621 25.617 -4.265 1.00 21.20 C ATOM 189 OG1 THR A 237 14.508 26.008 -5.085 1.00 17.65 O ATOM 190 CG2 THR A 237 16.594 24.750 -5.072 1.00 19.30 C ATOM 191 HG1 THR A 237 14.010 25.201 -5.371 1.00 0.00 H ATOM 192 H THR A 237 14.287 23.340 -4.330 1.00 0.00 H ATOM 193 N ALA A 238 14.338 26.882 -1.887 1.00 15.96 N ATOM 194 CA ALA A 238 13.312 27.737 -1.295 1.00 19.79 C ATOM 195 C ALA A 238 12.258 28.148 -2.332 1.00 15.26 C ATOM 196 O ALA A 238 11.091 28.348 -1.984 1.00 17.53 O ATOM 197 CB ALA A 238 13.946 28.964 -0.663 1.00 22.06 C ATOM 198 H ALA A 238 15.328 27.199 -1.910 1.00 0.00 H ATOM 199 N PHE A 239 12.649 28.273 -3.599 1.00 15.13 N ATOM 200 CA PHE A 239 11.671 28.617 -4.637 1.00 15.65 C ATOM 201 C PHE A 239 10.748 27.439 -4.931 1.00 17.04 C ATOM 202 O PHE A 239 9.588 27.632 -5.287 1.00 15.66 O ATOM 203 CB PHE A 239 12.372 29.091 -5.921 1.00 13.93 C ATOM 204 CG PHE A 239 12.854 30.503 -5.831 1.00 18.21 C ATOM 205 CD1 PHE A 239 11.964 31.556 -5.971 1.00 20.19 C ATOM 206 CD2 PHE A 239 14.179 30.780 -5.553 1.00 22.90 C ATOM 207 CE1 PHE A 239 12.395 32.868 -5.849 1.00 22.45 C ATOM 208 CE2 PHE A 239 14.619 32.092 -5.442 1.00 29.97 C ATOM 209 CZ PHE A 239 13.719 33.134 -5.588 1.00 21.47 C ATOM 210 H PHE A 239 13.647 28.127 -3.852 1.00 0.00 H ATOM 211 N HIS A 240 11.250 26.219 -4.770 1.00 14.69 N ATOM 212 CA HIS A 240 10.369 25.048 -4.848 1.00 15.64 C ATOM 213 C HIS A 240 9.305 25.065 -3.740 1.00 19.28 C ATOM 214 O HIS A 240 8.126 24.777 -3.968 1.00 16.01 O ATOM 215 CB HIS A 240 11.189 23.766 -4.776 1.00 16.56 C ATOM 216 CG HIS A 240 11.957 23.481 -6.030 1.00 15.72 C ATOM 217 ND1 HIS A 240 13.246 23.927 -6.236 1.00 19.32 N ATOM 218 CD2 HIS A 240 11.594 22.838 -7.167 1.00 20.55 C ATOM 219 CE1 HIS A 240 13.655 23.541 -7.432 1.00 23.29 C ATOM 220 NE2 HIS A 240 12.674 22.874 -8.016 1.00 22.45 N ATOM 221 H HIS A 240 12.266 26.094 -4.589 1.00 0.00 H ATOM 222 N GLN A 241 9.713 25.409 -2.527 1.00 14.74 N ATOM 223 CA GLN A 241 8.748 25.520 -1.440 1.00 13.76 C ATOM 224 C GLN A 241 7.760 26.667 -1.690 1.00 16.07 C ATOM 225 O GLN A 241 6.575 26.550 -1.373 1.00 16.53 O ATOM 226 CB GLN A 241 9.468 25.716 -0.108 1.00 15.78 C ATOM 227 CG GLN A 241 8.535 25.635 1.090 1.00 20.38 C ATOM 228 CD GLN A 241 7.778 24.322 1.177 1.00 31.62 C ATOM 229 OE1 GLN A 241 8.193 23.303 0.625 1.00 31.81 O ATOM 230 NE2 GLN A 241 6.658 24.341 1.885 1.00 29.04 N ATOM 231 HE22 GLN A 241 6.343 25.224 2.336 1.00 0.00 H ATOM 232 HE21 GLN A 241 6.094 23.473 1.990 1.00 0.00 H ATOM 233 H GLN A 241 10.720 25.599 -2.351 1.00 0.00 H ATOM 234 N LEU A 242 8.240 27.769 -2.257 1.00 14.66 N ATOM 235 CA LEU A 242 7.350 28.882 -2.607 1.00 15.75 C ATOM 236 C LEU A 242 6.314 28.431 -3.633 1.00 16.29 C ATOM 237 O LEU A 242 5.143 28.792 -3.527 1.00 15.79 O ATOM 238 CB LEU A 242 8.139 30.082 -3.132 1.00 17.05 C ATOM 239 CG LEU A 242 7.294 31.262 -3.619 1.00 18.51 C ATOM 240 CD1 LEU A 242 6.350 31.747 -2.540 1.00 18.43 C ATOM 241 CD2 LEU A 242 8.191 32.402 -4.115 1.00 17.30 C ATOM 242 H LEU A 242 9.258 27.843 -2.455 1.00 0.00 H ATOM 243 N VAL A 243 6.734 27.640 -4.623 1.00 14.45 N ATOM 244 CA VAL A 243 5.767 27.066 -5.549 1.00 15.95 C ATOM 245 C VAL A 243 4.703 26.280 -4.770 1.00 18.12 C ATOM 246 O VAL A 243 3.507 26.441 -5.009 1.00 18.07 O ATOM 247 CB VAL A 243 6.430 26.155 -6.597 1.00 18.60 C ATOM 248 CG1 VAL A 243 5.378 25.296 -7.289 1.00 19.26 C ATOM 249 CG2 VAL A 243 7.177 26.995 -7.612 1.00 17.69 C ATOM 250 H VAL A 243 7.748 27.434 -4.733 1.00 0.00 H ATOM 251 N GLN A 244 5.135 25.475 -3.801 1.00 15.14 N ATOM 252 CA GLN A 244 4.191 24.689 -3.018 1.00 17.82 C ATOM 253 C GLN A 244 3.176 25.580 -2.290 1.00 19.07 C ATOM 254 O GLN A 244 1.975 25.328 -2.319 1.00 19.00 O ATOM 255 CB GLN A 244 4.940 23.828 -2.004 1.00 22.62 C ATOM 256 CG GLN A 244 5.715 22.688 -2.630 1.00 25.54 C ATOM 257 CD GLN A 244 4.937 21.398 -2.579 1.00 42.46 C ATOM 258 OE1 GLN A 244 3.765 21.358 -2.948 1.00 46.31 O ATOM 259 NE2 GLN A 244 5.576 20.338 -2.100 1.00 40.17 N ATOM 260 HE22 GLN A 244 6.568 20.421 -1.800 1.00 0.00 H ATOM 261 HE21 GLN A 244 5.084 19.425 -2.025 1.00 0.00 H ATOM 262 H GLN A 244 6.153 25.407 -3.602 1.00 0.00 H ATOM 263 N VAL A 245 3.678 26.631 -1.653 1.00 17.50 N ATOM 264 CA VAL A 245 2.835 27.564 -0.903 1.00 16.45 C ATOM 265 C VAL A 245 1.848 28.322 -1.821 1.00 13.97 C ATOM 266 O VAL A 245 0.650 28.441 -1.498 1.00 14.88 O ATOM 267 CB VAL A 245 3.705 28.563 -0.115 1.00 18.16 C ATOM 268 CG1 VAL A 245 2.852 29.682 0.449 1.00 15.81 C ATOM 269 CG2 VAL A 245 4.445 27.836 1.014 1.00 15.41 C ATOM 270 H VAL A 245 4.704 26.797 -1.688 1.00 0.00 H ATOM 271 N ILE A 246 2.345 28.798 -2.959 1.00 16.37 N ATOM 272 CA ILE A 246 1.523 29.498 -3.942 1.00 17.71 C ATOM 273 C ILE A 246 0.412 28.570 -4.438 1.00 17.66 C ATOM 274 O ILE A 246 -0.737 28.988 -4.538 1.00 15.53 O ATOM 275 CB ILE A 246 2.372 30.026 -5.122 1.00 16.56 C ATOM 276 CG1 ILE A 246 3.173 31.257 -4.667 1.00 15.88 C ATOM 277 CG2 ILE A 246 1.492 30.405 -6.297 1.00 14.26 C ATOM 278 CD1 ILE A 246 4.217 31.751 -5.683 1.00 14.54 C ATOM 279 H ILE A 246 3.358 28.667 -3.156 1.00 0.00 H ATOM 280 N CYS A 247 0.734 27.306 -4.690 1.00 14.46 N ATOM 281 CA CYS A 247 -0.266 26.377 -5.189 1.00 18.83 C ATOM 282 C CYS A 247 -1.287 26.016 -4.117 1.00 20.21 C ATOM 283 O CYS A 247 -2.480 25.957 -4.403 1.00 19.47 O ATOM 284 CB CYS A 247 0.397 25.111 -5.743 1.00 17.95 C ATOM 285 SG CYS A 247 1.223 25.396 -7.323 1.00 22.04 S ATOM 286 H CYS A 247 1.708 26.979 -4.529 1.00 0.00 H ATOM 287 N LYS A 248 -0.827 25.760 -2.897 1.00 15.69 N ATOM 288 CA LYS A 248 -1.726 25.456 -1.781 1.00 17.40 C ATOM 289 C LYS A 248 -2.702 26.602 -1.481 1.00 20.10 C ATOM 290 O LYS A 248 -3.909 26.404 -1.412 1.00 19.13 O ATOM 291 CB LYS A 248 -0.906 25.135 -0.524 1.00 15.82 C ATOM 292 CG LYS A 248 -1.732 25.049 0.772 1.00 25.46 C ATOM 293 CD LYS A 248 -2.601 23.815 0.786 1.00 32.29 C ATOM 294 CE LYS A 248 -3.045 23.485 2.213 1.00 27.90 C ATOM 295 NZ LYS A 248 -3.786 24.611 2.840 1.00 37.32 N ATOM 296 HZ1 LYS A 248 -3.173 25.450 2.876 1.00 0.00 H ATOM 297 HZ2 LYS A 248 -4.634 24.823 2.276 1.00 0.00 H ATOM 298 HZ3 LYS A 248 -4.068 24.344 3.805 1.00 0.00 H ATOM 299 H LYS A 248 0.199 25.776 -2.730 1.00 0.00 H ATOM 300 N LEU A 249 -2.172 27.805 -1.299 1.00 17.60 N ATOM 301 CA LEU A 249 -3.025 28.955 -1.011 1.00 17.10 C ATOM 302 C LEU A 249 -3.883 29.315 -2.221 1.00 20.65 C ATOM 303 O LEU A 249 -5.017 29.782 -2.076 1.00 19.83 O ATOM 304 CB LEU A 249 -2.180 30.153 -0.575 1.00 18.64 C ATOM 305 CG LEU A 249 -1.528 29.996 0.800 1.00 23.99 C ATOM 306 CD1 LEU A 249 -0.814 31.271 1.221 1.00 24.38 C ATOM 307 CD2 LEU A 249 -2.562 29.584 1.843 1.00 19.66 C ATOM 308 H LEU A 249 -1.141 27.930 -1.362 1.00 0.00 H ATOM 309 N GLY A 250 -3.341 29.087 -3.414 1.00 17.09 N ATOM 310 CA GLY A 250 -4.068 29.351 -4.645 1.00 16.07 C ATOM 311 C GLY A 250 -5.270 28.431 -4.776 1.00 20.17 C ATOM 312 O GLY A 250 -6.350 28.852 -5.190 1.00 16.77 O ATOM 313 H GLY A 250 -2.373 28.710 -3.468 1.00 0.00 H ATOM 314 N LYS A 251 -5.076 27.161 -4.441 1.00 15.03 N ATOM 315 CA LYS A 251 -6.172 26.201 -4.530 1.00 19.20 C ATOM 316 C LYS A 251 -7.261 26.557 -3.536 1.00 17.48 C ATOM 317 O LYS A 251 -8.443 26.567 -3.864 1.00 22.77 O ATOM 318 CB LYS A 251 -5.672 24.780 -4.283 1.00 20.33 C ATOM 319 CG LYS A 251 -6.772 23.728 -4.379 1.00 31.50 C ATOM 320 CD LYS A 251 -6.243 22.357 -4.040 1.00 40.75 C ATOM 321 CE LYS A 251 -7.307 21.310 -4.252 1.00 40.60 C ATOM 322 NZ LYS A 251 -8.569 21.740 -3.585 1.00 48.92 N ATOM 323 HZ1 LYS A 251 -8.398 21.859 -2.566 1.00 0.00 H ATOM 324 HZ2 LYS A 251 -8.885 22.643 -3.993 1.00 0.00 H ATOM 325 HZ3 LYS A 251 -9.301 21.017 -3.732 1.00 0.00 H ATOM 326 H LYS A 251 -4.139 26.849 -4.114 1.00 0.00 H ATOM 327 N ASP A 252 -6.842 26.859 -2.318 1.00 18.37 N ATOM 328 CA ASP A 252 -7.757 27.195 -1.229 1.00 21.14 C ATOM 329 C ASP A 252 -8.571 28.460 -1.511 1.00 25.58 C ATOM 330 O ASP A 252 -9.618 28.673 -0.912 1.00 23.40 O ATOM 331 CB ASP A 252 -6.978 27.362 0.080 1.00 19.50 C ATOM 332 CG ASP A 252 -6.440 26.037 0.631 1.00 32.53 C ATOM 333 OD1 ASP A 252 -6.808 24.958 0.107 1.00 30.75 O ATOM 334 OD2 ASP A 252 -5.656 26.090 1.606 1.00 30.99 O ATOM 335 H ASP A 252 -5.820 26.857 -2.128 1.00 0.00 H ATOM 336 N SER A 253 -8.089 29.305 -2.418 1.00 20.23 N ATOM 337 CA SER A 253 -8.825 30.514 -2.775 1.00 15.46 C ATOM 338 C SER A 253 -9.257 30.510 -4.241 1.00 16.70 C ATOM 339 O SER A 253 -9.503 31.566 -4.818 1.00 17.19 O ATOM 340 CB SER A 253 -7.984 31.756 -2.473 1.00 27.86 C ATOM 341 OG SER A 253 -7.826 31.924 -1.070 1.00 37.24 O ATOM 342 HG SER A 253 -8.716 32.028 -0.649 1.00 0.00 H ATOM 343 H SER A 253 -7.178 29.102 -2.878 1.00 0.00 H ATOM 344 N ASN A 254 -9.372 29.320 -4.822 1.00 14.70 N ATOM 345 CA ASN A 254 -9.816 29.165 -6.208 1.00 18.48 C ATOM 346 C ASN A 254 -9.151 30.139 -7.152 1.00 23.10 C ATOM 347 O ASN A 254 -9.814 30.720 -8.001 1.00 19.32 O ATOM 348 CB ASN A 254 -11.327 29.347 -6.311 1.00 19.47 C ATOM 349 CG ASN A 254 -12.078 28.111 -5.892 1.00 39.82 C ATOM 350 OD1 ASN A 254 -12.266 27.876 -4.713 1.00 42.40 O ATOM 351 ND2 ASN A 254 -12.486 27.300 -6.855 1.00 31.65 N ATOM 352 HD22 ASN A 254 -12.303 27.541 -7.850 1.00 0.00 H ATOM 353 HD21 ASN A 254 -12.989 26.422 -6.617 1.00 0.00 H ATOM 354 H ASN A 254 -9.138 28.469 -4.272 1.00 0.00 H ATOM 355 N SER A 255 -7.851 30.349 -6.979 1.00 17.36 N ATOM 356 CA SER A 255 -7.157 31.344 -7.793 1.00 17.00 C ATOM 357 C SER A 255 -6.041 30.762 -8.635 1.00 19.18 C ATOM 358 O SER A 255 -5.148 31.496 -9.055 1.00 17.27 O ATOM 359 CB SER A 255 -6.595 32.454 -6.901 1.00 15.94 C ATOM 360 OG SER A 255 -7.632 33.132 -6.206 1.00 21.29 O ATOM 361 HG SER A 255 -8.122 32.487 -5.637 1.00 0.00 H ATOM 362 H SER A 255 -7.327 29.805 -6.264 1.00 0.00 H ATOM 363 N LEU A 256 -6.085 29.461 -8.904 1.00 15.38 N ATOM 364 CA LEU A 256 -4.990 28.845 -9.653 1.00 15.86 C ATOM 365 C LEU A 256 -4.905 29.417 -11.062 1.00 19.12 C ATOM 366 O LEU A 256 -3.814 29.526 -11.623 1.00 19.08 O ATOM 367 CB LEU A 256 -5.141 27.324 -9.721 1.00 17.53 C ATOM 368 CG LEU A 256 -5.098 26.584 -8.383 1.00 21.66 C ATOM 369 CD1 LEU A 256 -5.482 25.146 -8.602 1.00 23.39 C ATOM 370 CD2 LEU A 256 -3.710 26.682 -7.751 1.00 21.73 C ATOM 371 H LEU A 256 -6.891 28.886 -8.585 1.00 0.00 H ATOM 372 N ASP A 257 -6.039 29.812 -11.628 1.00 18.52 N ATOM 373 CA ASP A 257 -6.022 30.293 -13.001 1.00 16.59 C ATOM 374 C ASP A 257 -5.299 31.629 -13.118 1.00 18.04 C ATOM 375 O ASP A 257 -4.443 31.785 -13.986 1.00 18.78 O ATOM 376 CB ASP A 257 -7.436 30.419 -13.564 1.00 20.69 C ATOM 377 CG ASP A 257 -7.431 30.922 -14.987 1.00 27.56 C ATOM 378 OD1 ASP A 257 -7.422 32.155 -15.175 1.00 21.99 O ATOM 379 OD2 ASP A 257 -7.402 30.085 -15.911 1.00 31.54 O ATOM 380 H ASP A 257 -6.931 29.778 -11.095 1.00 0.00 H ATOM 381 N ILE A 258 -5.621 32.589 -12.255 1.00 17.23 N ATOM 382 CA ILE A 258 -4.933 33.880 -12.345 1.00 19.74 C ATOM 383 C ILE A 258 -3.454 33.750 -11.945 1.00 20.32 C ATOM 384 O ILE A 258 -2.599 34.435 -12.509 1.00 20.21 O ATOM 385 CB ILE A 258 -5.611 34.962 -11.486 1.00 16.19 C ATOM 386 CG1 ILE A 258 -4.912 36.311 -11.687 1.00 21.03 C ATOM 387 CG2 ILE A 258 -5.654 34.543 -10.002 1.00 18.23 C ATOM 388 CD1 ILE A 258 -4.850 36.762 -13.148 1.00 26.64 C ATOM 389 H ILE A 258 -6.348 32.426 -11.529 1.00 0.00 H ATOM 390 N ILE A 259 -3.142 32.867 -10.998 1.00 15.54 N ATOM 391 CA ILE A 259 -1.744 32.638 -10.646 1.00 13.95 C ATOM 392 C ILE A 259 -0.979 32.084 -11.858 1.00 14.09 C ATOM 393 O ILE A 259 0.121 32.545 -12.189 1.00 16.26 O ATOM 394 CB ILE A 259 -1.607 31.679 -9.450 1.00 16.91 C ATOM 395 CG1 ILE A 259 -2.138 32.368 -8.183 1.00 16.22 C ATOM 396 CG2 ILE A 259 -0.142 31.269 -9.266 1.00 13.72 C ATOM 397 CD1 ILE A 259 -2.480 31.414 -6.999 1.00 17.55 C ATOM 398 H ILE A 259 -3.894 32.341 -10.509 1.00 0.00 H ATOM 399 N HIS A 260 -1.576 31.130 -12.558 1.00 16.19 N ATOM 400 CA HIS A 260 -0.910 30.586 -13.745 1.00 17.62 C ATOM 401 C HIS A 260 -0.726 31.671 -14.794 1.00 18.10 C ATOM 402 O HIS A 260 0.332 31.780 -15.412 1.00 17.78 O ATOM 403 CB HIS A 260 -1.701 29.420 -14.328 1.00 17.01 C ATOM 404 CG HIS A 260 -1.106 28.868 -15.581 1.00 19.33 C ATOM 405 ND1 HIS A 260 -1.734 28.964 -16.804 1.00 24.61 N ATOM 406 CD2 HIS A 260 0.070 28.241 -15.807 1.00 21.38 C ATOM 407 CE1 HIS A 260 -0.976 28.403 -17.731 1.00 27.21 C ATOM 408 NE2 HIS A 260 0.122 27.952 -17.154 1.00 23.13 N ATOM 409 H HIS A 260 -2.508 30.771 -12.268 1.00 0.00 H ATOM 410 N ALA A 261 -1.753 32.492 -14.986 1.00 16.17 N ATOM 411 CA ALA A 261 -1.693 33.538 -15.993 1.00 16.92 C ATOM 412 C ALA A 261 -0.622 34.592 -15.673 1.00 23.16 C ATOM 413 O ALA A 261 0.069 35.071 -16.582 1.00 19.04 O ATOM 414 CB ALA A 261 -3.071 34.192 -16.165 1.00 17.17 C ATOM 415 H ALA A 261 -2.611 32.385 -14.408 1.00 0.00 H ATOM 416 N GLU A 262 -0.461 34.936 -14.394 1.00 16.69 N ATOM 417 CA GLU A 262 0.545 35.924 -13.998 1.00 16.49 C ATOM 418 C GLU A 262 1.929 35.345 -14.165 1.00 19.72 C ATOM 419 O GLU A 262 2.880 36.034 -14.559 1.00 19.78 O ATOM 420 CB GLU A 262 0.348 36.363 -12.543 1.00 19.70 C ATOM 421 CG GLU A 262 -0.933 37.160 -12.294 1.00 19.26 C ATOM 422 CD GLU A 262 -0.817 38.630 -12.678 1.00 32.23 C ATOM 423 OE1 GLU A 262 0.285 39.070 -13.085 1.00 27.03 O ATOM 424 OE2 GLU A 262 -1.834 39.350 -12.552 1.00 30.25 O ATOM 425 H GLU A 262 -1.060 34.495 -13.666 1.00 0.00 H ATOM 426 N PHE A 263 2.040 34.071 -13.824 1.00 16.90 N ATOM 427 CA PHE A 263 3.299 33.368 -13.986 1.00 14.52 C ATOM 428 C PHE A 263 3.737 33.370 -15.441 1.00 22.19 C ATOM 429 O PHE A 263 4.869 33.756 -15.749 1.00 18.56 O ATOM 430 CB PHE A 263 3.183 31.941 -13.457 1.00 14.84 C ATOM 431 CG PHE A 263 4.464 31.166 -13.561 1.00 19.83 C ATOM 432 CD1 PHE A 263 5.549 31.493 -12.759 1.00 20.26 C ATOM 433 CD2 PHE A 263 4.583 30.122 -14.466 1.00 19.66 C ATOM 434 CE1 PHE A 263 6.747 30.790 -12.853 1.00 18.88 C ATOM 435 CE2 PHE A 263 5.760 29.408 -14.575 1.00 19.42 C ATOM 436 CZ PHE A 263 6.858 29.748 -13.760 1.00 21.44 C ATOM 437 H PHE A 263 1.216 33.569 -13.436 1.00 0.00 H ATOM 438 N GLN A 264 2.835 32.966 -16.335 1.00 15.66 N ATOM 439 CA GLN A 264 3.168 32.912 -17.756 1.00 15.92 C ATOM 440 C GLN A 264 3.422 34.307 -18.324 1.00 24.15 C ATOM 441 O GLN A 264 4.287 34.475 -19.174 1.00 20.73 O ATOM 442 CB GLN A 264 2.063 32.217 -18.551 1.00 18.98 C ATOM 443 CG GLN A 264 1.861 30.729 -18.252 1.00 23.38 C ATOM 444 CD GLN A 264 3.085 29.864 -18.532 1.00 27.54 C ATOM 445 OE1 GLN A 264 4.057 30.306 -19.152 1.00 26.97 O ATOM 446 NE2 GLN A 264 3.038 28.616 -18.071 1.00 31.18 N ATOM 447 HE22 GLN A 264 2.199 28.284 -17.553 1.00 0.00 H ATOM 448 HE21 GLN A 264 3.840 27.973 -18.228 1.00 0.00 H ATOM 449 H GLN A 264 1.885 32.686 -16.018 1.00 0.00 H ATOM 450 N ALA A 265 2.669 35.304 -17.865 1.00 18.57 N ATOM 451 CA ALA A 265 2.838 36.665 -18.376 1.00 22.28 C ATOM 452 C ALA A 265 4.210 37.235 -18.012 1.00 22.04 C ATOM 453 O ALA A 265 4.854 37.901 -18.827 1.00 23.83 O ATOM 454 CB ALA A 265 1.736 37.580 -17.857 1.00 20.97 C ATOM 455 H ALA A 265 1.953 35.114 -17.135 1.00 0.00 H ATOM 456 N SER A 266 4.651 36.984 -16.784 1.00 19.71 N ATOM 457 CA SER A 266 5.974 37.414 -16.351 1.00 18.10 C ATOM 458 C SER A 266 7.083 36.768 -17.168 1.00 19.43 C ATOM 459 O SER A 266 8.038 37.437 -17.561 1.00 17.73 O ATOM 460 CB SER A 266 6.185 37.103 -14.869 1.00 17.79 C ATOM 461 OG SER A 266 5.429 37.983 -14.064 1.00 18.62 O ATOM 462 HG SER A 266 4.468 37.882 -14.280 1.00 0.00 H ATOM 463 H SER A 266 4.039 36.470 -16.118 1.00 0.00 H ATOM 464 N LEU A 267 6.971 35.467 -17.405 1.00 15.67 N ATOM 465 CA LEU A 267 7.970 34.778 -18.230 1.00 15.23 C ATOM 466 C LEU A 267 8.010 35.365 -19.647 1.00 17.70 C ATOM 467 O LEU A 267 9.098 35.611 -20.215 1.00 18.46 O ATOM 468 CB LEU A 267 7.676 33.279 -18.313 1.00 20.26 C ATOM 469 CG LEU A 267 7.776 32.464 -17.031 1.00 21.19 C ATOM 470 CD1 LEU A 267 7.460 31.010 -17.333 1.00 23.92 C ATOM 471 CD2 LEU A 267 9.157 32.597 -16.402 1.00 19.92 C ATOM 472 H LEU A 267 6.173 34.934 -17.005 1.00 0.00 H ATOM 473 N ALA A 268 6.827 35.601 -20.205 1.00 17.03 N ATOM 474 CA ALA A 268 6.706 36.164 -21.551 1.00 18.44 C ATOM 475 C ALA A 268 7.291 37.578 -21.648 1.00 32.84 C ATOM 476 O ALA A 268 7.677 38.028 -22.727 1.00 23.96 O ATOM 477 CB ALA A 268 5.252 36.178 -21.982 1.00 17.59 C ATOM 478 H ALA A 268 5.963 35.379 -19.670 1.00 0.00 H ATOM 479 N GLU A 269 7.323 38.279 -20.523 1.00 21.54 N ATOM 480 CA GLU A 269 7.973 39.585 -20.432 1.00 21.84 C ATOM 481 C GLU A 269 9.494 39.489 -20.344 1.00 25.05 C ATOM 482 O GLU A 269 10.195 40.497 -20.484 1.00 23.20 O ATOM 483 CB GLU A 269 7.474 40.352 -19.220 1.00 34.34 C ATOM 484 CG GLU A 269 6.236 41.187 -19.456 1.00 40.29 C ATOM 485 CD GLU A 269 6.026 42.209 -18.343 1.00 75.17 C ATOM 486 OE1 GLU A 269 6.054 41.819 -17.153 1.00 74.14 O ATOM 487 OE2 GLU A 269 5.865 43.410 -18.658 1.00 94.56 O ATOM 488 H GLU A 269 6.869 37.885 -19.674 1.00 0.00 H ATOM 489 N GLY A 270 9.999 38.294 -20.056 1.00 17.75 N ATOM 490 CA GLY A 270 11.431 38.084 -19.959 1.00 18.91 C ATOM 491 C GLY A 270 11.954 37.988 -18.534 1.00 19.58 C ATOM 492 O GLY A 270 13.157 37.917 -18.306 1.00 17.50 O ATOM 493 H GLY A 270 9.355 37.493 -19.897 1.00 0.00 H ATOM 494 N ASP A 271 11.057 37.989 -17.558 1.00 17.89 N ATOM 495 CA ASP A 271 11.507 37.799 -16.172 1.00 23.11 C ATOM 496 C ASP A 271 12.016 36.377 -15.958 1.00 17.40 C ATOM 497 O ASP A 271 11.546 35.438 -16.598 1.00 19.92 O ATOM 498 CB ASP A 271 10.379 38.090 -15.174 1.00 23.55 C ATOM 499 CG ASP A 271 10.050 39.589 -15.041 1.00 28.25 C ATOM 500 OD1 ASP A 271 10.942 40.445 -15.223 1.00 35.20 O ATOM 501 OD2 ASP A 271 8.879 39.904 -14.732 1.00 36.32 O ATOM 502 H ASP A 271 10.048 38.123 -17.770 1.00 0.00 H ATOM 503 N SER A 272 12.970 36.212 -15.043 1.00 20.78 N ATOM 504 CA SER A 272 13.375 34.871 -14.636 1.00 18.15 C ATOM 505 C SER A 272 12.202 34.184 -13.945 1.00 22.32 C ATOM 506 O SER A 272 11.298 34.851 -13.448 1.00 17.56 O ATOM 507 CB SER A 272 14.576 34.928 -13.690 1.00 24.27 C ATOM 508 OG SER A 272 14.183 35.573 -12.496 1.00 17.53 O ATOM 509 HG SER A 272 13.875 36.490 -12.704 1.00 0.00 H ATOM 510 H SER A 272 13.428 37.043 -14.617 1.00 0.00 H ATOM 511 N PRO A 273 12.195 32.845 -13.917 1.00 14.77 N ATOM 512 CA PRO A 273 11.083 32.183 -13.223 1.00 17.02 C ATOM 513 C PRO A 273 11.038 32.505 -11.730 1.00 15.58 C ATOM 514 O PRO A 273 9.959 32.582 -11.149 1.00 16.80 O ATOM 515 CB PRO A 273 11.349 30.690 -13.456 1.00 19.47 C ATOM 516 CG PRO A 273 12.750 30.600 -13.958 1.00 32.97 C ATOM 517 CD PRO A 273 13.048 31.895 -14.650 1.00 25.55 C ATOM 518 N GLN A 274 12.202 32.694 -11.123 1.00 19.12 N ATOM 519 CA GLN A 274 12.255 33.124 -9.733 1.00 19.89 C ATOM 520 C GLN A 274 11.568 34.486 -9.543 1.00 18.29 C ATOM 521 O GLN A 274 10.786 34.661 -8.609 1.00 18.45 O ATOM 522 CB GLN A 274 13.706 33.176 -9.255 1.00 17.75 C ATOM 523 CG GLN A 274 14.429 31.820 -9.233 1.00 16.23 C ATOM 524 CD GLN A 274 15.097 31.462 -10.543 1.00 21.73 C ATOM 525 OE1 GLN A 274 14.958 32.169 -11.538 1.00 24.63 O ATOM 526 NE2 GLN A 274 15.837 30.360 -10.547 1.00 24.16 N ATOM 527 HE22 GLN A 274 15.927 29.791 -9.681 1.00 0.00 H ATOM 528 HE21 GLN A 274 16.327 30.066 -11.416 1.00 0.00 H ATOM 529 H GLN A 274 13.087 32.533 -11.646 1.00 0.00 H ATOM 530 N CYS A 275 11.872 35.435 -10.427 1.00 17.65 N ATOM 531 CA CYS A 275 11.262 36.761 -10.386 1.00 19.94 C ATOM 532 C CYS A 275 9.750 36.666 -10.607 1.00 17.93 C ATOM 533 O CYS A 275 8.965 37.345 -9.943 1.00 20.39 O ATOM 534 CB CYS A 275 11.908 37.672 -11.438 1.00 18.09 C ATOM 535 SG CYS A 275 11.252 39.367 -11.562 1.00 22.04 S ATOM 536 H CYS A 275 12.567 35.224 -11.171 1.00 0.00 H ATOM 537 N ALA A 276 9.357 35.799 -11.535 1.00 19.07 N ATOM 538 CA ALA A 276 7.940 35.554 -11.822 1.00 18.60 C ATOM 539 C ALA A 276 7.194 35.074 -10.565 1.00 19.67 C ATOM 540 O ALA A 276 6.060 35.478 -10.314 1.00 18.28 O ATOM 541 CB ALA A 276 7.805 34.533 -12.939 1.00 21.46 C ATOM 542 H ALA A 276 10.077 35.278 -12.075 1.00 0.00 H ATOM 543 N LEU A 277 7.837 34.219 -9.772 1.00 19.95 N ATOM 544 CA LEU A 277 7.196 33.692 -8.565 1.00 18.95 C ATOM 545 C LEU A 277 7.066 34.790 -7.501 1.00 18.29 C ATOM 546 O LEU A 277 6.038 34.899 -6.835 1.00 18.35 O ATOM 547 CB LEU A 277 7.969 32.479 -8.004 1.00 16.67 C ATOM 548 CG LEU A 277 7.934 31.198 -8.854 1.00 20.66 C ATOM 549 CD1 LEU A 277 8.970 30.186 -8.363 1.00 19.80 C ATOM 550 CD2 LEU A 277 6.528 30.579 -8.886 1.00 25.03 C ATOM 551 H LEU A 277 8.804 33.922 -10.012 1.00 0.00 H ATOM 552 N ILE A 278 8.103 35.613 -7.356 1.00 21.45 N ATOM 553 CA ILE A 278 8.044 36.720 -6.415 1.00 16.34 C ATOM 554 C ILE A 278 6.977 37.733 -6.849 1.00 17.32 C ATOM 555 O ILE A 278 6.231 38.253 -6.015 1.00 22.14 O ATOM 556 CB ILE A 278 9.415 37.415 -6.277 1.00 18.08 C ATOM 557 CG1 ILE A 278 10.414 36.443 -5.654 1.00 17.90 C ATOM 558 CG2 ILE A 278 9.305 38.646 -5.396 1.00 22.03 C ATOM 559 CD1 ILE A 278 10.000 35.989 -4.275 1.00 22.21 C ATOM 560 H ILE A 278 8.963 35.463 -7.921 1.00 0.00 H ATOM 561 N GLN A 279 6.883 37.980 -8.157 1.00 18.81 N ATOM 562 CA GLN A 279 5.897 38.923 -8.669 1.00 21.24 C ATOM 563 C GLN A 279 4.474 38.437 -8.369 1.00 25.58 C ATOM 564 O GLN A 279 3.570 39.242 -8.122 1.00 25.08 O ATOM 565 CB GLN A 279 6.075 39.155 -10.173 1.00 25.06 C ATOM 566 CG GLN A 279 7.261 40.057 -10.531 1.00 29.50 C ATOM 567 CD GLN A 279 7.262 41.387 -9.771 1.00 51.25 C ATOM 568 OE1 GLN A 279 6.209 41.946 -9.452 1.00 61.87 O ATOM 569 NE2 GLN A 279 8.453 41.893 -9.475 1.00 65.84 N ATOM 570 HE22 GLN A 279 9.317 41.391 -9.762 1.00 0.00 H ATOM 571 HE21 GLN A 279 8.522 42.792 -8.956 1.00 0.00 H ATOM 572 H GLN A 279 7.521 37.494 -8.819 1.00 0.00 H ATOM 573 N ILE A 280 4.282 37.123 -8.372 1.00 20.44 N ATOM 574 CA ILE A 280 2.981 36.555 -8.012 1.00 20.89 C ATOM 575 C ILE A 280 2.603 36.946 -6.590 1.00 22.66 C ATOM 576 O ILE A 280 1.477 37.387 -6.343 1.00 20.17 O ATOM 577 CB ILE A 280 2.977 35.023 -8.156 1.00 23.03 C ATOM 578 CG1 ILE A 280 2.813 34.643 -9.624 1.00 22.83 C ATOM 579 CG2 ILE A 280 1.844 34.393 -7.339 1.00 17.39 C ATOM 580 CD1 ILE A 280 3.055 33.161 -9.892 1.00 21.68 C ATOM 581 H ILE A 280 5.065 36.490 -8.633 1.00 0.00 H ATOM 582 N THR A 281 3.536 36.817 -5.651 1.00 23.39 N ATOM 583 CA THR A 281 3.229 37.176 -4.265 1.00 24.57 C ATOM 584 C THR A 281 2.926 38.663 -4.108 1.00 26.42 C ATOM 585 O THR A 281 2.342 39.084 -3.105 1.00 25.93 O ATOM 586 CB THR A 281 4.369 36.828 -3.303 1.00 23.27 C ATOM 587 OG1 THR A 281 5.469 37.726 -3.510 1.00 20.80 O ATOM 588 CG2 THR A 281 4.805 35.384 -3.490 1.00 21.39 C ATOM 589 HG1 THR A 281 5.790 37.643 -4.443 1.00 0.00 H ATOM 590 H THR A 281 4.481 36.462 -5.900 1.00 0.00 H ATOM 591 N LYS A 282 3.306 39.450 -5.107 1.00 26.19 N ATOM 592 CA LYS A 282 3.118 40.891 -5.034 1.00 33.53 C ATOM 593 C LYS A 282 1.933 41.386 -5.871 1.00 33.99 C ATOM 594 O LYS A 282 1.349 42.423 -5.559 1.00 43.53 O ATOM 595 CB LYS A 282 4.415 41.596 -5.450 1.00 34.00 C ATOM 596 CG LYS A 282 5.527 41.474 -4.392 1.00 30.79 C ATOM 597 CD LYS A 282 6.859 41.989 -4.925 1.00 44.92 C ATOM 598 CE LYS A 282 8.015 41.678 -3.987 1.00 36.91 C ATOM 599 NZ LYS A 282 7.912 42.381 -2.683 1.00 57.63 N ATOM 600 HZ1 LYS A 282 7.904 43.408 -2.844 1.00 0.00 H ATOM 601 HZ2 LYS A 282 7.033 42.097 -2.206 1.00 0.00 H ATOM 602 HZ3 LYS A 282 8.728 42.129 -2.089 1.00 0.00 H ATOM 603 H LYS A 282 3.744 39.031 -5.953 1.00 0.00 H ATOM 604 N ARG A 283 1.560 40.637 -6.906 1.00 26.16 N ATOM 605 CA ARG A 283 0.511 41.072 -7.824 1.00 24.55 C ATOM 606 C ARG A 283 -0.799 40.299 -7.689 1.00 36.54 C ATOM 607 O ARG A 283 -1.827 40.754 -8.172 1.00 26.59 O ATOM 608 CB ARG A 283 0.988 40.971 -9.276 1.00 26.64 C ATOM 609 CG ARG A 283 2.145 41.887 -9.630 1.00 41.44 C ATOM 610 CD ARG A 283 2.502 41.720 -11.106 1.00 35.44 C ATOM 611 NE ARG A 283 3.763 42.364 -11.453 1.00 53.28 N ATOM 612 CZ ARG A 283 4.679 41.827 -12.255 1.00 62.19 C ATOM 613 NH1 ARG A 283 4.474 40.628 -12.791 1.00 45.30 N ATOM 614 NH2 ARG A 283 5.802 42.483 -12.517 1.00 57.77 N ATOM 615 HE ARG A 283 3.959 43.302 -11.048 1.00 0.00 H ATOM 616 HH12 ARG A 283 5.191 40.209 -13.418 1.00 0.00 H ATOM 617 HH11 ARG A 283 3.597 40.109 -12.584 1.00 0.00 H ATOM 618 HH22 ARG A 283 6.516 42.061 -13.144 1.00 0.00 H ATOM 619 HH21 ARG A 283 5.968 43.419 -12.095 1.00 0.00 H ATOM 620 H ARG A 283 2.026 39.721 -7.065 1.00 0.00 H ATOM 621 N VAL A 284 -0.777 39.122 -7.067 1.00 22.04 N ATOM 622 CA VAL A 284 -2.027 38.386 -6.884 1.00 21.26 C ATOM 623 C VAL A 284 -2.566 38.677 -5.486 1.00 20.68 C ATOM 624 O VAL A 284 -1.906 38.386 -4.487 1.00 20.58 O ATOM 625 CB VAL A 284 -1.841 36.884 -7.088 1.00 21.22 C ATOM 626 CG1 VAL A 284 -3.128 36.152 -6.780 1.00 19.58 C ATOM 627 CG2 VAL A 284 -1.394 36.612 -8.528 1.00 22.93 C ATOM 628 H VAL A 284 0.120 38.730 -6.715 1.00 0.00 H ATOM 629 N PRO A 285 -3.774 39.256 -5.418 1.00 25.10 N ATOM 630 CA PRO A 285 -4.285 39.877 -4.193 1.00 27.02 C ATOM 631 C PRO A 285 -4.375 38.949 -2.991 1.00 23.62 C ATOM 632 O PRO A 285 -4.248 39.451 -1.883 1.00 25.66 O ATOM 633 CB PRO A 285 -5.679 40.369 -4.602 1.00 24.60 C ATOM 634 CG PRO A 285 -6.001 39.678 -5.869 1.00 38.65 C ATOM 635 CD PRO A 285 -4.701 39.433 -6.548 1.00 39.48 C ATOM 636 N ILE A 286 -4.544 37.643 -3.172 1.00 20.80 N ATOM 637 CA ILE A 286 -4.568 36.765 -1.993 1.00 18.24 C ATOM 638 C ILE A 286 -3.235 36.716 -1.228 1.00 21.91 C ATOM 639 O ILE A 286 -3.206 36.302 -0.060 1.00 24.26 O ATOM 640 CB ILE A 286 -4.974 35.314 -2.348 1.00 21.49 C ATOM 641 CG1 ILE A 286 -3.953 34.676 -3.294 1.00 27.60 C ATOM 642 CG2 ILE A 286 -6.402 35.274 -2.912 1.00 25.51 C ATOM 643 CD1 ILE A 286 -4.127 33.168 -3.457 1.00 26.74 C ATOM 644 H ILE A 286 -4.657 37.250 -4.128 1.00 0.00 H ATOM 645 N PHE A 287 -2.143 37.146 -1.851 1.00 21.89 N ATOM 646 CA PHE A 287 -0.842 37.130 -1.179 1.00 19.75 C ATOM 647 C PHE A 287 -0.442 38.484 -0.603 1.00 28.58 C ATOM 648 O PHE A 287 0.476 38.570 0.213 1.00 28.45 O ATOM 649 CB PHE A 287 0.254 36.646 -2.134 1.00 17.99 C ATOM 650 CG PHE A 287 0.004 35.283 -2.675 1.00 23.22 C ATOM 651 CD1 PHE A 287 0.066 34.183 -1.845 1.00 25.43 C ATOM 652 CD2 PHE A 287 -0.325 35.100 -4.004 1.00 23.35 C ATOM 653 CE1 PHE A 287 -0.180 32.914 -2.336 1.00 25.64 C ATOM 654 CE2 PHE A 287 -0.571 33.838 -4.503 1.00 20.85 C ATOM 655 CZ PHE A 287 -0.502 32.740 -3.669 1.00 22.17 C ATOM 656 H PHE A 287 -2.213 37.498 -2.827 1.00 0.00 H ATOM 657 N GLN A 288 -1.130 39.541 -1.023 1.00 24.90 N ATOM 658 CA GLN A 288 -0.774 40.886 -0.570 1.00 29.02 C ATOM 659 C GLN A 288 -1.049 41.018 0.928 1.00 33.31 C ATOM 660 O GLN A 288 -2.173 40.821 1.384 1.00 30.96 O ATOM 661 CB GLN A 288 -1.533 41.942 -1.390 1.00 32.25 C ATOM 662 CG GLN A 288 -0.985 42.072 -2.824 1.00 41.48 C ATOM 663 CD GLN A 288 -1.998 42.612 -3.833 1.00 34.29 C ATOM 664 OE1 GLN A 288 -3.122 42.982 -3.481 1.00 30.64 O ATOM 665 NE2 GLN A 288 -1.604 42.633 -5.099 1.00 39.36 N ATOM 666 HE22 GLN A 288 -0.648 42.312 -5.351 1.00 0.00 H ATOM 667 HE21 GLN A 288 -2.251 42.971 -5.840 1.00 0.00 H ATOM 668 H GLN A 288 -1.927 39.411 -1.678 1.00 0.00 H ATOM 669 N ASP A 289 0.009 41.304 1.683 1.00 36.18 N ATOM 670 CA ASP A 289 -0.047 41.412 3.150 1.00 38.40 C ATOM 671 C ASP A 289 -0.569 40.166 3.851 1.00 40.88 C ATOM 672 O ASP A 289 -1.105 40.255 4.952 1.00 37.29 O ATOM 673 CB ASP A 289 -0.891 42.614 3.575 1.00 49.41 C ATOM 674 CG ASP A 289 -0.064 43.870 3.733 1.00 64.38 C ATOM 675 OD1 ASP A 289 0.625 44.000 4.769 1.00 71.23 O ATOM 676 OD2 ASP A 289 -0.094 44.719 2.819 1.00 63.30 O ATOM 677 H ASP A 289 0.923 41.459 1.212 1.00 0.00 H ATOM 678 N ALA A 290 -0.402 39.007 3.223 1.00 32.84 N ATOM 679 CA ALA A 290 -0.763 37.743 3.854 1.00 25.26 C ATOM 680 C ALA A 290 0.391 37.222 4.698 1.00 30.65 C ATOM 681 O ALA A 290 1.557 37.478 4.396 1.00 24.79 O ATOM 682 CB ALA A 290 -1.154 36.713 2.809 1.00 22.56 C ATOM 683 H ALA A 290 -0.006 39.001 2.262 1.00 0.00 H ATOM 684 N ALA A 291 0.056 36.493 5.757 1.00 22.79 N ATOM 685 CA ALA A 291 1.046 35.842 6.592 1.00 23.43 C ATOM 686 C ALA A 291 1.422 34.510 5.960 1.00 24.60 C ATOM 687 O ALA A 291 0.600 33.875 5.300 1.00 25.37 O ATOM 688 CB ALA A 291 0.514 35.637 8.003 1.00 31.81 C ATOM 689 H ALA A 291 -0.951 36.386 5.995 1.00 0.00 H ATOM 690 N PRO A 292 2.669 34.085 6.145 1.00 25.43 N ATOM 691 CA PRO A 292 3.033 32.764 5.628 1.00 27.34 C ATOM 692 C PRO A 292 2.258 31.662 6.329 1.00 23.93 C ATOM 693 O PRO A 292 1.936 31.797 7.512 1.00 24.94 O ATOM 694 CB PRO A 292 4.523 32.654 5.944 1.00 20.74 C ATOM 695 CG PRO A 292 4.793 33.687 6.984 1.00 25.73 C ATOM 696 CD PRO A 292 3.800 34.773 6.791 1.00 23.44 C ATOM 697 N PRO A 293 1.961 30.579 5.609 1.00 18.88 N ATOM 698 CA PRO A 293 1.259 29.446 6.206 1.00 22.58 C ATOM 699 C PRO A 293 2.148 28.702 7.187 1.00 23.03 C ATOM 700 O PRO A 293 3.372 28.678 7.039 1.00 17.15 O ATOM 701 CB PRO A 293 0.917 28.570 5.004 1.00 22.55 C ATOM 702 CG PRO A 293 1.970 28.903 3.985 1.00 19.85 C ATOM 703 CD PRO A 293 2.280 30.361 4.184 1.00 18.01 C ATOM 704 N VAL A 294 1.528 28.096 8.193 1.00 20.01 N ATOM 705 CA VAL A 294 2.256 27.283 9.153 1.00 20.78 C ATOM 706 C VAL A 294 2.200 25.833 8.721 1.00 19.64 C ATOM 707 O VAL A 294 1.121 25.314 8.428 1.00 22.12 O ATOM 708 CB VAL A 294 1.675 27.398 10.562 1.00 22.88 C ATOM 709 CG1 VAL A 294 2.335 26.385 11.465 1.00 19.48 C ATOM 710 CG2 VAL A 294 1.858 28.815 11.100 1.00 21.93 C ATOM 711 H VAL A 294 0.499 28.206 8.296 1.00 0.00 H ATOM 712 N ILE A 295 3.356 25.187 8.667 1.00 19.01 N ATOM 713 CA ILE A 295 3.431 23.797 8.249 1.00 20.73 C ATOM 714 C ILE A 295 4.017 22.990 9.388 1.00 24.49 C ATOM 715 O ILE A 295 5.156 23.225 9.802 1.00 23.35 O ATOM 716 CB ILE A 295 4.290 23.633 6.983 1.00 20.19 C ATOM 717 CG1 ILE A 295 3.785 24.573 5.884 1.00 18.87 C ATOM 718 CG2 ILE A 295 4.276 22.186 6.507 1.00 27.50 C ATOM 719 CD1 ILE A 295 4.685 24.591 4.640 1.00 22.06 C ATOM 720 H ILE A 295 4.230 25.686 8.930 1.00 0.00 H ATOM 721 N HIS A 296 3.232 22.056 9.914 1.00 22.01 N ATOM 722 CA HIS A 296 3.711 21.238 11.014 1.00 23.99 C ATOM 723 C HIS A 296 4.574 20.113 10.485 1.00 25.79 C ATOM 724 O HIS A 296 4.172 19.398 9.568 1.00 33.14 O ATOM 725 CB HIS A 296 2.544 20.686 11.834 1.00 28.37 C ATOM 726 CG HIS A 296 2.049 21.647 12.867 1.00 38.77 C ATOM 727 ND1 HIS A 296 1.047 22.560 12.615 1.00 43.80 N ATOM 728 CD2 HIS A 296 2.454 21.871 14.139 1.00 39.91 C ATOM 729 CE1 HIS A 296 0.841 23.292 13.697 1.00 41.60 C ATOM 730 NE2 HIS A 296 1.685 22.896 14.635 1.00 39.87 N ATOM 731 H HIS A 296 2.273 21.911 9.538 1.00 0.00 H ATOM 732 N ILE A 297 5.771 19.979 11.052 1.00 22.21 N ATOM 733 CA ILE A 297 6.687 18.900 10.689 1.00 25.96 C ATOM 734 C ILE A 297 7.289 18.297 11.952 1.00 36.42 C ATOM 735 O ILE A 297 7.254 18.918 13.020 1.00 31.06 O ATOM 736 CB ILE A 297 7.826 19.376 9.772 1.00 29.45 C ATOM 737 CG1 ILE A 297 8.649 20.456 10.475 1.00 30.74 C ATOM 738 CG2 ILE A 297 7.275 19.881 8.446 1.00 27.07 C ATOM 739 CD1 ILE A 297 9.920 20.795 9.760 1.00 31.27 C ATOM 740 H ILE A 297 6.064 20.665 11.777 1.00 0.00 H ATOM 741 N ARG A 298 7.849 17.096 11.841 1.00 35.98 N ATOM 742 CA ARG A 298 8.458 16.468 13.009 1.00 39.10 C ATOM 743 C ARG A 298 9.781 17.106 13.390 1.00 45.35 C ATOM 744 O ARG A 298 9.911 17.662 14.479 1.00 44.42 O ATOM 745 CB ARG A 298 8.632 14.965 12.789 1.00 54.26 C ATOM 746 CG ARG A 298 9.429 14.291 13.874 1.00 60.34 C ATOM 747 CD ARG A 298 9.475 12.782 13.675 1.00 73.72 C ATOM 748 NE ARG A 298 10.177 11.972 14.690 1.00 88.89 N ATOM 749 CZ ARG A 298 10.211 12.174 16.010 1.00 83.37 C ATOM 750 NH1 ARG A 298 9.607 13.208 16.576 1.00 80.89 N ATOM 751 NH2 ARG A 298 10.900 11.342 16.781 1.00 67.98 N ATOM 752 HE ARG A 298 10.706 11.149 14.337 1.00 0.00 H ATOM 753 HH12 ARG A 298 9.653 13.336 17.607 1.00 0.00 H ATOM 754 HH11 ARG A 298 9.087 13.891 15.989 1.00 0.00 H ATOM 755 HH22 ARG A 298 10.932 11.492 17.810 1.00 0.00 H ATOM 756 HH21 ARG A 298 11.408 10.540 16.357 1.00 0.00 H ATOM 757 H ARG A 298 7.853 16.605 10.924 1.00 0.00 H ATOM 758 N SER A 299 10.754 17.056 12.491 1.00 42.03 N ATOM 759 CA SER A 299 12.084 17.555 12.802 1.00 42.71 C ATOM 760 C SER A 299 12.595 18.424 11.671 1.00 38.46 C ATOM 761 O SER A 299 11.954 18.527 10.622 1.00 35.32 O ATOM 762 CB SER A 299 13.044 16.395 13.052 1.00 46.16 C ATOM 763 OG SER A 299 13.146 15.579 11.897 1.00 56.55 O ATOM 764 HG SER A 299 13.771 14.833 12.076 1.00 0.00 H ATOM 765 H SER A 299 10.564 16.655 11.551 1.00 0.00 H ATOM 766 N ARG A 300 13.752 19.036 11.888 1.00 34.50 N ATOM 767 CA ARG A 300 14.380 19.890 10.891 1.00 39.21 C ATOM 768 C ARG A 300 14.716 19.105 9.616 1.00 34.02 C ATOM 769 O ARG A 300 14.806 19.679 8.531 1.00 33.00 O ATOM 770 CB ARG A 300 15.638 20.529 11.479 1.00 37.33 C ATOM 771 CG ARG A 300 16.065 21.797 10.797 1.00 33.14 C ATOM 772 CD ARG A 300 17.441 22.195 11.250 1.00 34.15 C ATOM 773 NE ARG A 300 18.060 23.131 10.325 1.00 37.26 N ATOM 774 CZ ARG A 300 18.224 24.424 10.576 1.00 48.68 C ATOM 775 NH1 ARG A 300 17.810 24.930 11.728 1.00 46.68 N ATOM 776 NH2 ARG A 300 18.800 25.208 9.679 1.00 39.17 N ATOM 777 HE ARG A 300 18.395 22.765 9.411 1.00 0.00 H ATOM 778 HH12 ARG A 300 17.937 25.943 11.927 1.00 0.00 H ATOM 779 HH11 ARG A 300 17.357 24.314 12.434 1.00 0.00 H ATOM 780 HH22 ARG A 300 18.927 26.221 9.879 1.00 0.00 H ATOM 781 HH21 ARG A 300 19.126 24.811 8.774 1.00 0.00 H ATOM 782 H ARG A 300 14.227 18.901 12.803 1.00 0.00 H ATOM 783 N GLY A 301 14.876 17.790 9.751 1.00 41.32 N ATOM 784 CA GLY A 301 15.208 16.932 8.624 1.00 33.36 C ATOM 785 C GLY A 301 14.074 16.681 7.642 1.00 35.36 C ATOM 786 O GLY A 301 14.292 16.151 6.559 1.00 39.76 O ATOM 787 H GLY A 301 14.760 17.363 10.692 1.00 0.00 H ATOM 788 N ASP A 302 12.856 17.053 8.015 1.00 27.67 N ATOM 789 CA ASP A 302 11.725 16.941 7.108 1.00 29.94 C ATOM 790 C ASP A 302 11.739 18.087 6.095 1.00 31.68 C ATOM 791 O ASP A 302 11.010 18.064 5.104 1.00 40.17 O ATOM 792 CB ASP A 302 10.412 16.940 7.889 1.00 39.55 C ATOM 793 CG ASP A 302 10.230 15.677 8.706 1.00 63.03 C ATOM 794 OD1 ASP A 302 10.561 14.588 8.189 1.00 56.37 O ATOM 795 OD2 ASP A 302 9.771 15.774 9.865 1.00 60.95 O ATOM 796 H ASP A 302 12.708 17.431 8.972 1.00 0.00 H ATOM 797 N ILE A 303 12.565 19.092 6.368 1.00 31.19 N ATOM 798 CA ILE A 303 12.782 20.203 5.444 1.00 30.61 C ATOM 799 C ILE A 303 13.871 19.836 4.439 1.00 20.68 C ATOM 800 O ILE A 303 14.927 19.337 4.827 1.00 30.56 O ATOM 801 CB ILE A 303 13.175 21.489 6.206 1.00 30.43 C ATOM 802 CG1 ILE A 303 12.070 21.860 7.189 1.00 33.47 C ATOM 803 CG2 ILE A 303 13.417 22.663 5.248 1.00 27.38 C ATOM 804 CD1 ILE A 303 12.498 22.870 8.228 1.00 22.70 C ATOM 805 H ILE A 303 13.076 19.087 7.274 1.00 0.00 H ATOM 806 N PRO A 304 13.612 20.073 3.140 1.00 33.78 N ATOM 807 CA PRO A 304 14.555 19.695 2.085 1.00 40.93 C ATOM 808 C PRO A 304 15.936 20.315 2.283 1.00 32.73 C ATOM 809 O PRO A 304 16.047 21.453 2.735 1.00 24.70 O ATOM 810 CB PRO A 304 13.889 20.230 0.810 1.00 32.27 C ATOM 811 CG PRO A 304 12.457 20.314 1.136 1.00 36.79 C ATOM 812 CD PRO A 304 12.399 20.697 2.588 1.00 25.88 C ATOM 813 N ARG A 305 16.966 19.547 1.941 1.00 29.68 N ATOM 814 CA ARG A 305 18.366 19.944 2.059 1.00 27.55 C ATOM 815 C ARG A 305 18.654 21.342 1.520 1.00 37.17 C ATOM 816 O ARG A 305 19.297 22.148 2.194 1.00 26.26 O ATOM 817 CB ARG A 305 19.247 18.916 1.335 1.00 39.15 C ATOM 818 CG ARG A 305 20.734 19.253 1.276 1.00 38.37 C ATOM 819 CD ARG A 305 21.413 19.085 2.636 1.00 71.42 C ATOM 820 NE ARG A 305 21.441 17.693 3.087 1.00 82.18 N ATOM 821 CZ ARG A 305 22.029 17.281 4.207 1.00 77.33 C ATOM 822 NH1 ARG A 305 22.636 18.155 4.999 1.00 84.79 N ATOM 823 NH2 ARG A 305 22.008 15.997 4.541 1.00 68.29 N ATOM 824 HE ARG A 305 20.971 16.980 2.494 1.00 0.00 H ATOM 825 HH12 ARG A 305 23.095 17.832 5.874 1.00 0.00 H ATOM 826 HH11 ARG A 305 22.653 19.163 4.745 1.00 0.00 H ATOM 827 HH22 ARG A 305 22.469 15.680 5.418 1.00 0.00 H ATOM 828 HH21 ARG A 305 21.530 15.307 3.926 1.00 0.00 H ATOM 829 H ARG A 305 16.761 18.600 1.564 1.00 0.00 H ATOM 830 N ALA A 306 18.176 21.632 0.309 1.00 26.89 N ATOM 831 CA ALA A 306 18.495 22.893 -0.348 1.00 20.70 C ATOM 832 C ALA A 306 17.783 24.086 0.282 1.00 24.44 C ATOM 833 O ALA A 306 18.066 25.238 -0.067 1.00 26.54 O ATOM 834 CB ALA A 306 18.163 22.814 -1.837 1.00 20.43 C ATOM 835 H ALA A 306 17.564 20.945 -0.176 1.00 0.00 H ATOM 836 N CYS A 307 16.869 23.812 1.210 1.00 17.98 N ATOM 837 CA CYS A 307 16.206 24.865 1.977 1.00 19.70 C ATOM 838 C CYS A 307 16.904 25.223 3.286 1.00 24.75 C ATOM 839 O CYS A 307 16.586 26.243 3.891 1.00 21.91 O ATOM 840 CB CYS A 307 14.767 24.461 2.308 1.00 19.77 C ATOM 841 SG CYS A 307 13.592 24.770 0.996 1.00 22.65 S ATOM 842 H CYS A 307 16.619 22.820 1.395 1.00 0.00 H ATOM 843 N GLN A 308 17.838 24.390 3.730 1.00 21.45 N ATOM 844 CA GLN A 308 18.334 24.493 5.108 1.00 23.26 C ATOM 845 C GLN A 308 18.999 25.835 5.430 1.00 18.26 C ATOM 846 O GLN A 308 18.808 26.377 6.518 1.00 21.52 O ATOM 847 CB GLN A 308 19.297 23.339 5.408 1.00 24.71 C ATOM 848 CG GLN A 308 18.623 21.957 5.437 1.00 23.39 C ATOM 849 CD GLN A 308 17.753 21.738 6.667 1.00 33.98 C ATOM 850 OE1 GLN A 308 17.985 22.340 7.717 1.00 30.07 O ATOM 851 NE2 GLN A 308 16.751 20.876 6.544 1.00 25.61 N ATOM 852 HE22 GLN A 308 16.591 20.390 5.639 1.00 0.00 H ATOM 853 HE21 GLN A 308 16.125 20.687 7.353 1.00 0.00 H ATOM 854 H GLN A 308 18.221 23.659 3.097 1.00 0.00 H ATOM 855 N LYS A 309 19.759 26.391 4.494 1.00 17.52 N ATOM 856 CA LYS A 309 20.454 27.637 4.781 1.00 14.17 C ATOM 857 C LYS A 309 19.536 28.858 4.661 1.00 19.11 C ATOM 858 O LYS A 309 19.946 29.981 4.979 1.00 21.04 O ATOM 859 CB LYS A 309 21.668 27.784 3.853 1.00 17.15 C ATOM 860 CG LYS A 309 22.748 26.735 4.098 1.00 19.81 C ATOM 861 CD LYS A 309 24.047 27.108 3.382 1.00 26.05 C ATOM 862 CE LYS A 309 25.151 26.075 3.633 1.00 28.47 C ATOM 863 NZ LYS A 309 24.765 24.719 3.155 1.00 28.73 N ATOM 864 HZ1 LYS A 309 23.908 24.407 3.655 1.00 0.00 H ATOM 865 HZ2 LYS A 309 24.578 24.753 2.133 1.00 0.00 H ATOM 866 HZ3 LYS A 309 25.540 24.052 3.345 1.00 0.00 H ATOM 867 H LYS A 309 19.857 25.939 3.562 1.00 0.00 H ATOM 868 N SER A 310 18.305 28.638 4.198 1.00 19.14 N ATOM 869 CA SER A 310 17.308 29.709 4.093 1.00 16.91 C ATOM 870 C SER A 310 16.395 29.776 5.316 1.00 22.06 C ATOM 871 O SER A 310 15.476 30.600 5.361 1.00 20.23 O ATOM 872 CB SER A 310 16.453 29.532 2.836 1.00 20.65 C ATOM 873 OG SER A 310 17.254 29.612 1.668 1.00 22.88 O ATOM 874 HG SER A 310 16.682 29.495 0.868 1.00 0.00 H ATOM 875 H SER A 310 18.043 27.676 3.902 1.00 0.00 H ATOM 876 N LEU A 311 16.621 28.901 6.288 1.00 16.59 N ATOM 877 CA LEU A 311 15.784 28.888 7.486 1.00 16.92 C ATOM 878 C LEU A 311 16.276 29.917 8.502 1.00 19.09 C ATOM 879 O LEU A 311 17.486 30.075 8.705 1.00 21.46 O ATOM 880 CB LEU A 311 15.753 27.484 8.097 1.00 18.37 C ATOM 881 CG LEU A 311 15.137 26.419 7.184 1.00 19.36 C ATOM 882 CD1 LEU A 311 15.396 25.016 7.739 1.00 19.59 C ATOM 883 CD2 LEU A 311 13.647 26.649 6.981 1.00 16.42 C ATOM 884 H LEU A 311 17.400 28.219 6.196 1.00 0.00 H ATOM 885 N ARG A 312 15.339 30.639 9.115 1.00 18.21 N ATOM 886 CA ARG A 312 15.674 31.757 10.000 1.00 21.25 C ATOM 887 C ARG A 312 14.770 31.776 11.215 1.00 16.42 C ATOM 888 O ARG A 312 13.665 31.218 11.191 1.00 20.11 O ATOM 889 CB ARG A 312 15.522 33.102 9.272 1.00 15.34 C ATOM 890 CG ARG A 312 16.284 33.204 7.948 1.00 18.31 C ATOM 891 CD ARG A 312 17.791 33.243 8.166 1.00 20.47 C ATOM 892 NE ARG A 312 18.497 32.687 7.007 1.00 23.14 N ATOM 893 CZ ARG A 312 18.648 33.331 5.857 1.00 25.35 C ATOM 894 NH1 ARG A 312 18.173 34.566 5.725 1.00 28.83 N ATOM 895 NH2 ARG A 312 19.283 32.747 4.844 1.00 22.18 N ATOM 896 HE ARG A 312 18.903 31.733 7.091 1.00 0.00 H ATOM 897 HH12 ARG A 312 18.289 35.074 4.825 1.00 0.00 H ATOM 898 HH11 ARG A 312 17.685 35.023 6.522 1.00 0.00 H ATOM 899 HH22 ARG A 312 19.401 33.253 3.943 1.00 0.00 H ATOM 900 HH21 ARG A 312 19.662 31.785 4.953 1.00 0.00 H ATOM 901 H ARG A 312 14.338 30.401 8.960 1.00 0.00 H ATOM 902 N PRO A 313 15.206 32.457 12.272 1.00 19.25 N ATOM 903 CA PRO A 313 14.267 32.735 13.362 1.00 22.48 C ATOM 904 C PRO A 313 13.039 33.474 12.822 1.00 21.11 C ATOM 905 O PRO A 313 13.176 34.281 11.892 1.00 19.47 O ATOM 906 CB PRO A 313 15.090 33.615 14.308 1.00 24.14 C ATOM 907 CG PRO A 313 16.517 33.218 14.029 1.00 21.49 C ATOM 908 CD PRO A 313 16.562 32.956 12.556 1.00 16.93 C ATOM 909 N VAL A 314 11.857 33.174 13.345 1.00 19.31 N ATOM 910 CA VAL A 314 10.640 33.821 12.847 1.00 24.15 C ATOM 911 C VAL A 314 10.513 35.234 13.413 1.00 25.37 C ATOM 912 O VAL A 314 10.524 35.402 14.633 1.00 25.68 O ATOM 913 CB VAL A 314 9.376 33.006 13.214 1.00 28.07 C ATOM 914 CG1 VAL A 314 8.148 33.588 12.539 1.00 24.57 C ATOM 915 CG2 VAL A 314 9.540 31.556 12.807 1.00 26.11 C ATOM 916 H VAL A 314 11.794 32.476 14.113 1.00 0.00 H ATOM 917 N PRO A 315 10.389 36.249 12.537 1.00 26.05 N ATOM 918 CA PRO A 315 10.219 37.648 12.948 1.00 30.25 C ATOM 919 C PRO A 315 8.787 37.929 13.436 1.00 30.98 C ATOM 920 O PRO A 315 7.915 37.071 13.280 1.00 24.61 O ATOM 921 CB PRO A 315 10.532 38.417 11.661 1.00 30.88 C ATOM 922 CG PRO A 315 10.065 37.516 10.582 1.00 27.85 C ATOM 923 CD PRO A 315 10.359 36.109 11.066 1.00 26.37 C ATOM 924 N PRO A 316 8.552 39.100 14.063 1.00 30.79 N ATOM 925 CA PRO A 316 7.255 39.371 14.700 1.00 29.37 C ATOM 926 C PRO A 316 6.042 39.267 13.772 1.00 28.47 C ATOM 927 O PRO A 316 5.064 38.609 14.132 1.00 26.36 O ATOM 928 CB PRO A 316 7.413 40.810 15.204 1.00 31.38 C ATOM 929 CG PRO A 316 8.861 40.954 15.446 1.00 37.27 C ATOM 930 CD PRO A 316 9.528 40.168 14.351 1.00 35.94 C ATOM 931 N SER A 317 6.105 39.911 12.609 1.00 28.77 N ATOM 932 CA SER A 317 4.988 39.917 11.667 1.00 30.30 C ATOM 933 C SER A 317 5.439 39.522 10.267 1.00 30.18 C ATOM 934 O SER A 317 5.539 40.374 9.387 1.00 27.43 O ATOM 935 CB SER A 317 4.327 41.297 11.617 1.00 31.37 C ATOM 936 OG SER A 317 3.456 41.492 12.715 1.00 38.80 O ATOM 937 HG SER A 317 3.046 42.391 12.654 1.00 0.00 H ATOM 938 H SER A 317 6.975 40.425 12.363 1.00 0.00 H ATOM 939 N PRO A 318 5.703 38.227 10.048 1.00 26.23 N ATOM 940 CA PRO A 318 6.229 37.859 8.723 1.00 20.62 C ATOM 941 C PRO A 318 5.149 37.976 7.633 1.00 21.26 C ATOM 942 O PRO A 318 3.979 37.752 7.914 1.00 24.73 O ATOM 943 CB PRO A 318 6.670 36.407 8.911 1.00 24.60 C ATOM 944 CG PRO A 318 5.774 35.888 10.014 1.00 25.26 C ATOM 945 CD PRO A 318 5.589 37.064 10.950 1.00 28.43 C ATOM 946 N LYS A 319 5.551 38.330 6.415 1.00 22.27 N ATOM 947 CA LYS A 319 4.632 38.473 5.286 1.00 21.23 C ATOM 948 C LYS A 319 5.187 37.743 4.070 1.00 18.55 C ATOM 949 O LYS A 319 6.381 37.832 3.784 1.00 19.62 O ATOM 950 CB LYS A 319 4.424 39.943 4.933 1.00 25.73 C ATOM 951 CG LYS A 319 3.891 40.802 6.081 1.00 25.55 C ATOM 952 CD LYS A 319 2.454 40.457 6.395 1.00 30.11 C ATOM 953 CE LYS A 319 1.847 41.489 7.337 1.00 44.48 C ATOM 954 NZ LYS A 319 0.524 41.044 7.834 1.00 49.19 N ATOM 955 HZ1 LYS A 319 -0.120 40.908 7.029 1.00 0.00 H ATOM 956 HZ2 LYS A 319 0.632 40.146 8.348 1.00 0.00 H ATOM 957 HZ3 LYS A 319 0.134 41.766 8.473 1.00 0.00 H ATOM 958 H LYS A 319 6.563 38.513 6.259 1.00 0.00 H ATOM 959 N ILE A 320 4.318 37.040 3.357 1.00 19.74 N ATOM 960 CA ILE A 320 4.713 36.339 2.136 1.00 20.72 C ATOM 961 C ILE A 320 5.331 37.295 1.109 1.00 26.08 C ATOM 962 O ILE A 320 6.377 36.991 0.504 1.00 22.84 O ATOM 963 CB ILE A 320 3.514 35.614 1.510 1.00 20.75 C ATOM 964 CG1 ILE A 320 3.053 34.486 2.432 1.00 20.51 C ATOM 965 CG2 ILE A 320 3.884 35.040 0.139 1.00 20.03 C ATOM 966 CD1 ILE A 320 1.760 33.820 1.984 1.00 22.51 C ATOM 967 H ILE A 320 3.329 36.986 3.675 1.00 0.00 H ATOM 968 N ASP A 321 4.711 38.462 0.928 1.00 22.42 N ATOM 969 CA ASP A 321 5.200 39.403 -0.075 1.00 26.73 C ATOM 970 C ASP A 321 6.421 40.200 0.390 1.00 25.88 C ATOM 971 O ASP A 321 6.887 41.098 -0.312 1.00 30.55 O ATOM 972 CB ASP A 321 4.075 40.352 -0.539 1.00 29.17 C ATOM 973 CG ASP A 321 3.468 41.175 0.589 1.00 40.45 C ATOM 974 OD1 ASP A 321 3.956 41.111 1.733 1.00 34.52 O ATOM 975 OD2 ASP A 321 2.482 41.902 0.314 1.00 36.50 O ATOM 976 H ASP A 321 3.878 38.702 1.502 1.00 0.00 H ATOM 977 N ARG A 322 6.963 39.851 1.552 1.00 24.66 N ATOM 978 CA ARG A 322 8.259 40.377 1.955 1.00 26.80 C ATOM 979 C ARG A 322 9.305 39.267 1.973 1.00 26.12 C ATOM 980 O ARG A 322 10.423 39.488 2.424 1.00 23.91 O ATOM 981 CB ARG A 322 8.177 41.047 3.328 1.00 27.53 C ATOM 982 CG ARG A 322 7.386 42.346 3.323 1.00 30.46 C ATOM 983 CD ARG A 322 8.080 43.412 2.482 1.00 45.51 C ATOM 984 NE ARG A 322 8.723 44.428 3.316 1.00 84.88 N ATOM 985 CZ ARG A 322 10.022 44.457 3.604 1.00 71.66 C ATOM 986 NH1 ARG A 322 10.836 43.528 3.121 1.00 67.64 N ATOM 987 NH2 ARG A 322 10.510 45.420 4.374 1.00 71.91 N ATOM 988 HE ARG A 322 8.123 45.180 3.711 1.00 0.00 H ATOM 989 HH12 ARG A 322 11.850 43.556 3.349 1.00 0.00 H ATOM 990 HH11 ARG A 322 10.460 42.772 2.514 1.00 0.00 H ATOM 991 HH22 ARG A 322 11.525 45.442 4.599 1.00 0.00 H ATOM 992 HH21 ARG A 322 9.878 46.153 4.753 1.00 0.00 H ATOM 993 H ARG A 322 6.456 39.195 2.180 1.00 0.00 H ATOM 994 N GLY A 323 8.938 38.080 1.485 1.00 23.53 N ATOM 995 CA GLY A 323 9.889 36.989 1.316 1.00 23.79 C ATOM 996 C GLY A 323 9.781 35.810 2.271 1.00 23.15 C ATOM 997 O GLY A 323 10.546 34.841 2.173 1.00 22.89 O ATOM 998 H GLY A 323 7.944 37.929 1.218 1.00 0.00 H ATOM 999 N TRP A 324 8.842 35.877 3.207 1.00 20.07 N ATOM 1000 CA TRP A 324 8.666 34.784 4.164 1.00 17.01 C ATOM 1001 C TRP A 324 7.702 33.769 3.567 1.00 20.10 C ATOM 1002 O TRP A 324 6.488 33.975 3.543 1.00 21.76 O ATOM 1003 CB TRP A 324 8.175 35.316 5.515 1.00 16.76 C ATOM 1004 CG TRP A 324 9.233 36.162 6.157 1.00 18.77 C ATOM 1005 CD1 TRP A 324 9.329 37.521 6.120 1.00 21.51 C ATOM 1006 CD2 TRP A 324 10.375 35.696 6.886 1.00 22.09 C ATOM 1007 NE1 TRP A 324 10.455 37.937 6.796 1.00 22.97 N ATOM 1008 CE2 TRP A 324 11.118 36.838 7.271 1.00 23.02 C ATOM 1009 CE3 TRP A 324 10.847 34.428 7.249 1.00 21.67 C ATOM 1010 CZ2 TRP A 324 12.305 36.747 8.004 1.00 24.36 C ATOM 1011 CZ3 TRP A 324 12.027 34.340 7.989 1.00 21.75 C ATOM 1012 CH2 TRP A 324 12.736 35.496 8.358 1.00 23.99 C ATOM 1013 HE1 TRP A 324 10.753 38.925 6.924 1.00 0.00 H ATOM 1014 H TRP A 324 8.226 36.713 3.261 1.00 0.00 H ATOM 1015 N VAL A 325 8.281 32.689 3.062 1.00 18.64 N ATOM 1016 CA VAL A 325 7.568 31.662 2.302 1.00 17.98 C ATOM 1017 C VAL A 325 6.607 30.871 3.162 1.00 17.50 C ATOM 1018 O VAL A 325 5.436 30.690 2.814 1.00 17.93 O ATOM 1019 CB VAL A 325 8.560 30.676 1.649 1.00 17.13 C ATOM 1020 CG1 VAL A 325 7.811 29.492 1.000 1.00 15.93 C ATOM 1021 CG2 VAL A 325 9.415 31.402 0.646 1.00 14.12 C ATOM 1022 H VAL A 325 9.302 32.564 3.215 1.00 0.00 H ATOM 1023 N CYS A 326 7.121 30.374 4.277 1.00 15.57 N ATOM 1024 CA CYS A 326 6.305 29.621 5.205 1.00 15.26 C ATOM 1025 C CYS A 326 6.973 29.610 6.558 1.00 16.66 C ATOM 1026 O CYS A 326 8.110 30.073 6.719 1.00 16.33 O ATOM 1027 CB CYS A 326 6.073 28.192 4.716 1.00 20.04 C ATOM 1028 SG CYS A 326 7.594 27.276 4.443 1.00 22.67 S ATOM 1029 H CYS A 326 8.128 30.527 4.489 1.00 0.00 H ATOM 1030 N VAL A 327 6.235 29.123 7.546 1.00 15.41 N ATOM 1031 CA VAL A 327 6.782 28.913 8.868 1.00 17.50 C ATOM 1032 C VAL A 327 6.649 27.449 9.208 1.00 18.80 C ATOM 1033 O VAL A 327 5.558 26.878 9.146 1.00 23.05 O ATOM 1034 CB VAL A 327 6.073 29.763 9.941 1.00 16.27 C ATOM 1035 CG1 VAL A 327 6.538 29.336 11.345 1.00 17.95 C ATOM 1036 CG2 VAL A 327 6.375 31.237 9.707 1.00 19.89 C ATOM 1037 H VAL A 327 5.238 28.886 7.366 1.00 0.00 H ATOM 1038 N PHE A 328 7.771 26.838 9.546 1.00 18.79 N ATOM 1039 CA PHE A 328 7.764 25.451 9.966 1.00 15.50 C ATOM 1040 C PHE A 328 7.623 25.374 11.476 1.00 24.16 C ATOM 1041 O PHE A 328 8.392 25.993 12.207 1.00 22.89 O ATOM 1042 CB PHE A 328 9.037 24.753 9.518 1.00 16.10 C ATOM 1043 CG PHE A 328 9.136 24.578 8.017 1.00 20.94 C ATOM 1044 CD1 PHE A 328 10.046 25.319 7.270 1.00 17.66 C ATOM 1045 CD2 PHE A 328 8.308 23.677 7.360 1.00 25.92 C ATOM 1046 CE1 PHE A 328 10.136 25.156 5.893 1.00 19.37 C ATOM 1047 CE2 PHE A 328 8.392 23.510 5.975 1.00 22.60 C ATOM 1048 CZ PHE A 328 9.305 24.248 5.251 1.00 21.47 C ATOM 1049 H PHE A 328 8.670 27.359 9.510 1.00 0.00 H ATOM 1050 N GLN A 329 6.626 24.626 11.929 1.00 21.28 N ATOM 1051 CA GLN A 329 6.435 24.376 13.360 1.00 21.28 C ATOM 1052 C GLN A 329 6.887 22.955 13.678 1.00 26.07 C ATOM 1053 O GLN A 329 6.257 21.990 13.248 1.00 27.69 O ATOM 1054 CB GLN A 329 4.969 24.571 13.754 1.00 23.28 C ATOM 1055 CG GLN A 329 4.683 24.152 15.189 1.00 35.04 C ATOM 1056 CD GLN A 329 5.194 25.158 16.203 1.00 56.73 C ATOM 1057 OE1 GLN A 329 4.802 26.328 16.180 1.00 57.27 O ATOM 1058 NE2 GLN A 329 6.077 24.711 17.099 1.00 46.08 N ATOM 1059 HE22 GLN A 329 6.379 23.716 17.080 1.00 0.00 H ATOM 1060 HE21 GLN A 329 6.463 25.358 17.816 1.00 0.00 H ATOM 1061 H GLN A 329 5.961 24.205 11.249 1.00 0.00 H ATOM 1062 N LEU A 330 7.978 22.827 14.421 1.00 24.29 N ATOM 1063 CA LEU A 330 8.510 21.516 14.760 1.00 28.61 C ATOM 1064 C LEU A 330 7.810 20.999 16.016 1.00 34.83 C ATOM 1065 O LEU A 330 7.362 21.772 16.870 1.00 27.88 O ATOM 1066 CB LEU A 330 10.028 21.561 14.971 1.00 36.12 C ATOM 1067 CG LEU A 330 10.965 21.627 13.759 1.00 28.78 C ATOM 1068 CD1 LEU A 330 10.726 22.874 12.936 1.00 36.83 C ATOM 1069 CD2 LEU A 330 12.408 21.585 14.236 1.00 32.46 C ATOM 1070 H LEU A 330 8.462 23.680 14.768 1.00 0.00 H ATOM 1071 N GLN A 331 7.724 19.682 16.120 1.00 40.69 N ATOM 1072 CA GLN A 331 6.941 19.046 17.170 1.00 44.21 C ATOM 1073 C GLN A 331 7.427 19.322 18.583 1.00 37.15 C ATOM 1074 O GLN A 331 6.663 19.174 19.539 1.00 47.84 O ATOM 1075 CB GLN A 331 6.900 17.552 16.918 1.00 39.31 C ATOM 1076 CG GLN A 331 5.490 17.014 16.880 1.00 69.30 C ATOM 1077 CD GLN A 331 5.352 15.870 15.906 1.00 74.98 C ATOM 1078 OE1 GLN A 331 6.339 15.226 15.553 1.00 90.73 O ATOM 1079 NE2 GLN A 331 4.127 15.604 15.467 1.00 72.71 N ATOM 1080 HE22 GLN A 331 3.322 16.176 15.793 1.00 0.00 H ATOM 1081 HE21 GLN A 331 3.973 14.824 14.797 1.00 0.00 H ATOM 1082 H GLN A 331 8.229 19.086 15.434 1.00 0.00 H ATOM 1083 N ASP A 332 8.680 19.740 18.720 1.00 34.74 N ATOM 1084 CA ASP A 332 9.227 20.021 20.038 1.00 32.90 C ATOM 1085 C ASP A 332 9.000 21.478 20.421 1.00 35.87 C ATOM 1086 O ASP A 332 9.455 21.934 21.463 1.00 38.92 O ATOM 1087 CB ASP A 332 10.718 19.682 20.090 1.00 37.68 C ATOM 1088 CG ASP A 332 11.568 20.627 19.258 1.00 54.05 C ATOM 1089 OD1 ASP A 332 11.016 21.353 18.403 1.00 33.91 O ATOM 1090 OD2 ASP A 332 12.799 20.651 19.470 1.00 60.22 O ATOM 1091 H ASP A 332 9.276 19.868 17.877 1.00 0.00 H ATOM 1092 N GLY A 333 8.313 22.212 19.556 1.00 32.48 N ATOM 1093 CA GLY A 333 8.024 23.602 19.829 1.00 35.54 C ATOM 1094 C GLY A 333 8.887 24.596 19.073 1.00 27.93 C ATOM 1095 O GLY A 333 8.549 25.778 19.027 1.00 24.81 O ATOM 1096 H GLY A 333 7.978 21.782 18.670 1.00 0.00 H ATOM 1097 N LYS A 334 10.003 24.136 18.507 1.00 20.45 N ATOM 1098 CA LYS A 334 10.862 25.004 17.696 1.00 19.74 C ATOM 1099 C LYS A 334 10.081 25.523 16.487 1.00 20.41 C ATOM 1100 O LYS A 334 9.213 24.828 15.969 1.00 23.43 O ATOM 1101 CB LYS A 334 12.110 24.261 17.223 1.00 19.34 C ATOM 1102 CG LYS A 334 13.117 23.934 18.329 1.00 27.63 C ATOM 1103 CD LYS A 334 14.191 23.003 17.773 1.00 23.02 C ATOM 1104 CE LYS A 334 15.417 22.941 18.681 1.00 52.24 C ATOM 1105 NZ LYS A 334 15.110 22.367 20.020 1.00 38.92 N ATOM 1106 HZ1 LYS A 334 14.392 22.954 20.491 1.00 0.00 H ATOM 1107 HZ2 LYS A 334 14.747 21.399 19.906 1.00 0.00 H ATOM 1108 HZ3 LYS A 334 15.977 22.348 20.595 1.00 0.00 H ATOM 1109 H LYS A 334 10.270 23.140 18.644 1.00 0.00 H ATOM 1110 N THR A 335 10.376 26.746 16.053 1.00 18.14 N ATOM 1111 CA THR A 335 9.758 27.294 14.840 1.00 16.94 C ATOM 1112 C THR A 335 10.827 27.946 13.987 1.00 17.22 C ATOM 1113 O THR A 335 11.759 28.553 14.511 1.00 18.16 O ATOM 1114 CB THR A 335 8.664 28.343 15.138 1.00 23.76 C ATOM 1115 OG1 THR A 335 9.244 29.467 15.815 1.00 29.93 O ATOM 1116 CG2 THR A 335 7.570 27.745 16.004 1.00 28.01 C ATOM 1117 HG1 THR A 335 9.941 29.873 15.241 1.00 0.00 H ATOM 1118 H THR A 335 11.058 27.325 16.584 1.00 0.00 H ATOM 1119 N LEU A 336 10.696 27.805 12.669 1.00 17.61 N ATOM 1120 CA LEU A 336 11.652 28.383 11.736 1.00 15.44 C ATOM 1121 C LEU A 336 10.934 28.973 10.528 1.00 19.77 C ATOM 1122 O LEU A 336 10.001 28.367 10.013 1.00 24.89 O ATOM 1123 CB LEU A 336 12.645 27.319 11.272 1.00 20.20 C ATOM 1124 CG LEU A 336 13.687 26.921 12.316 1.00 24.36 C ATOM 1125 CD1 LEU A 336 14.423 25.660 11.904 1.00 30.97 C ATOM 1126 CD2 LEU A 336 14.657 28.063 12.532 1.00 20.48 C ATOM 1127 H LEU A 336 9.888 27.267 12.296 1.00 0.00 H ATOM 1128 N GLY A 337 11.371 30.141 10.068 1.00 17.07 N ATOM 1129 CA GLY A 337 10.767 30.746 8.890 1.00 13.73 C ATOM 1130 C GLY A 337 11.672 30.479 7.703 1.00 19.31 C ATOM 1131 O GLY A 337 12.894 30.434 7.827 1.00 19.96 O ATOM 1132 H GLY A 337 12.151 30.627 10.554 1.00 0.00 H ATOM 1133 N LEU A 338 11.065 30.290 6.544 1.00 14.95 N ATOM 1134 CA LEU A 338 11.826 30.101 5.310 1.00 14.45 C ATOM 1135 C LEU A 338 11.838 31.420 4.563 1.00 20.17 C ATOM 1136 O LEU A 338 10.784 31.952 4.209 1.00 19.05 O ATOM 1137 CB LEU A 338 11.205 29.000 4.464 1.00 18.04 C ATOM 1138 CG LEU A 338 11.930 28.708 3.151 1.00 16.20 C ATOM 1139 CD1 LEU A 338 13.231 27.974 3.425 1.00 22.98 C ATOM 1140 CD2 LEU A 338 11.036 27.885 2.283 1.00 18.68 C ATOM 1141 H LEU A 338 10.026 30.275 6.509 1.00 0.00 H ATOM 1142 N LYS A 339 13.033 31.948 4.346 1.00 17.83 N ATOM 1143 CA LYS A 339 13.183 33.284 3.801 1.00 15.83 C ATOM 1144 C LYS A 339 13.802 33.262 2.416 1.00 18.85 C ATOM 1145 O LYS A 339 14.818 32.601 2.181 1.00 20.55 O ATOM 1146 CB LYS A 339 14.046 34.142 4.739 1.00 17.62 C ATOM 1147 CG LYS A 339 14.275 35.557 4.250 1.00 22.73 C ATOM 1148 CD LYS A 339 12.956 36.291 4.135 1.00 24.81 C ATOM 1149 CE LYS A 339 13.144 37.801 4.168 1.00 30.81 C ATOM 1150 NZ LYS A 339 13.850 38.312 2.963 1.00 31.36 N ATOM 1151 HZ1 LYS A 339 14.790 37.872 2.901 1.00 0.00 H ATOM 1152 HZ2 LYS A 339 13.299 38.075 2.113 1.00 0.00 H ATOM 1153 HZ3 LYS A 339 13.953 39.344 3.035 1.00 0.00 H ATOM 1154 H LYS A 339 13.883 31.392 4.571 1.00 0.00 H ATOM 1155 N ILE A 340 13.165 33.978 1.501 1.00 15.42 N ATOM 1156 CA ILE A 340 13.758 34.320 0.213 1.00 20.69 C ATOM 1157 C ILE A 340 14.052 35.821 0.196 1.00 35.22 C ATOM 1158 O ILE A 340 13.234 36.617 0.678 1.00 27.59 O ATOM 1159 CB ILE A 340 12.826 33.974 -0.959 1.00 25.45 C ATOM 1160 CG1 ILE A 340 12.650 32.456 -1.066 1.00 26.11 C ATOM 1161 CG2 ILE A 340 13.378 34.551 -2.244 1.00 22.77 C ATOM 1162 CD1 ILE A 340 11.694 32.020 -2.171 1.00 16.78 C ATOM 1163 OXT ILE A 340 15.089 36.287 -0.280 1.00 29.04 O ATOM 1164 H ILE A 340 12.202 34.310 1.710 1.00 0.00 H TER 1165 ILE A 340 HETATM 1166 O HOH 1 15.323 26.989 -7.667 1.00 22.38 O HETATM 1167 O HOH 2 -8.371 27.582 -8.708 1.00 20.64 O HETATM 1168 O HOH 3 15.492 36.367 -17.739 1.00 26.14 O HETATM 1169 O HOH 4 -8.747 33.902 -13.651 1.00 24.06 O HETATM 1170 O HOH 5 -3.883 18.812 -7.749 1.00 31.17 O HETATM 1171 O HOH 6 11.360 34.621 -19.171 1.00 19.66 O HETATM 1172 O HOH 7 2.173 38.117 9.972 1.00 29.12 O HETATM 1173 O HOH 8 -11.205 27.709 1.265 1.00 23.04 O HETATM 1174 O HOH 9 11.447 20.053 -5.159 1.00 34.66 O HETATM 1175 O HOH 10 0.919 21.016 8.712 1.00 35.52 O HETATM 1176 O HOH 11 -6.405 21.391 -7.671 1.00 25.58 O HETATM 1177 O HOH 12 7.679 40.462 6.864 1.00 28.06 O HETATM 1178 O HOH 13 16.882 36.446 7.502 1.00 33.69 O HETATM 1179 O HOH 14 2.627 39.009 -14.424 1.00 28.40 O HETATM 1180 O HOH 15 14.533 36.460 11.696 1.00 31.00 O HETATM 1181 O HOH 16 7.780 37.561 -1.829 1.00 25.99 O HETATM 1182 O HOH 17 9.402 42.685 -21.626 1.00 31.66 O HETATM 1183 O HOH 18 7.205 36.388 -24.831 1.00 32.96 O HETATM 1184 O HOH 19 16.977 36.433 10.305 1.00 31.27 O HETATM 1185 O HOH 20 -0.767 34.850 -19.263 1.00 25.87 O HETATM 1186 O HOH 21 4.175 36.768 -11.829 1.00 29.61 O HETATM 1187 O HOH 22 4.726 32.418 -21.079 1.00 29.60 O HETATM 1188 O HOH 23 3.255 40.768 -16.445 1.00 42.69 O HETATM 1189 O HOH 24 17.032 19.788 -1.637 1.00 28.51 O HETATM 1190 O HOH 25 19.621 28.320 8.301 1.00 28.11 O HETATM 1191 O HOH 26 14.217 22.707 -14.549 1.00 42.94 O HETATM 1192 O HOH 27 -13.946 24.485 -16.663 1.00 41.81 O HETATM 1193 O HOH 28 -8.592 33.834 0.756 1.00 28.93 O HETATM 1194 O HOH 29 5.283 27.183 -18.926 1.00 34.24 O HETATM 1195 O HOH 30 23.146 24.735 0.930 1.00 36.64 O HETATM 1196 O HOH 31 17.182 32.319 -13.539 1.00 25.89 O HETATM 1197 O HOH 32 9.254 27.998 20.148 1.00 26.48 O HETATM 1198 O HOH 33 16.728 38.096 2.936 1.00 36.20 O HETATM 1199 O HOH 34 12.533 32.502 -18.389 1.00 32.29 O HETATM 1200 O HOH 35 20.494 25.122 1.976 1.00 28.05 O HETATM 1201 O HOH 36 -4.434 30.197 -16.677 1.00 34.33 O HETATM 1202 O HOH 37 15.685 28.142 -14.656 1.00 34.65 O HETATM 1203 O HOH 38 -9.067 25.627 -6.630 1.00 27.04 O HETATM 1204 O HOH 39 17.488 29.577 -13.156 1.00 29.89 O HETATM 1205 O HOH 40 -1.293 31.729 -19.552 1.00 34.38 O HETATM 1206 O HOH 41 1.025 35.340 -21.234 1.00 36.98 O HETATM 1207 O HOH 42 -8.244 25.933 -11.187 1.00 28.72 O HETATM 1208 O HOH 43 9.986 39.329 -1.760 1.00 31.90 O HETATM 1209 O HOH 44 -5.646 22.264 0.497 1.00 37.90 O HETATM 1210 O HOH 45 12.643 38.711 -0.880 1.00 40.13 O HETATM 1211 O HOH 46 -3.575 39.683 -10.257 1.00 32.75 O HETATM 1212 O HOH 47 2.609 33.162 9.981 1.00 41.71 O HETATM 1213 O HOH 48 -0.011 32.191 11.655 1.00 33.39 O HETATM 1214 O HOH 49 1.718 37.508 -22.026 1.00 30.37 O HETATM 1215 O HOH 50 3.570 39.320 -20.799 1.00 26.43 O HETATM 1216 O HOH 51 16.597 29.122 -8.125 1.00 30.21 O HETATM 1217 O HOH 52 -9.022 28.076 -15.739 1.00 40.71 O HETATM 1218 O HOH 53 -8.675 22.767 -10.535 1.00 38.97 O HETATM 1219 O HOH 54 3.584 43.390 3.306 1.00 37.72 O HETATM 1220 O HOH 55 16.859 25.826 -14.979 1.00 45.94 O HETATM 1221 O HOH 56 11.926 31.086 15.599 1.00 20.43 O HETATM 1222 O HOH 57 6.022 35.752 14.660 1.00 33.07 O HETATM 1223 O HOH 58 -1.446 31.743 4.956 1.00 35.22 O HETATM 1224 O HOH 59 -8.853 30.400 -10.702 1.00 21.79 O HETATM 1225 O HOH 60 14.423 38.399 -14.024 1.00 26.46 O HETATM 1226 O HOH 61 -9.144 35.128 -9.666 1.00 32.01 O HETATM 1227 O HOH 62 17.099 27.642 -0.355 1.00 27.64 O HETATM 1228 O HOH 63 -8.431 32.903 -11.124 1.00 18.69 O HETATM 1229 O HOH 64 -1.299 28.895 8.433 1.00 26.79 O HETATM 1230 O HOH 65 -0.585 31.449 8.917 1.00 36.35 O HETATM 1231 O HOH 66 2.156 38.992 2.097 1.00 36.61 O HETATM 1232 O HOH 67 -6.329 36.558 -5.850 1.00 39.96 O HETATM 1233 O HOH 68 19.174 21.685 -5.484 1.00 28.21 O HETATM 1234 O HOH 69 -8.569 23.173 -7.962 1.00 40.99 O HETATM 1235 O HOH 70 10.488 33.818 16.897 1.00 37.88 O HETATM 1236 O HOH 71 1.770 25.679 15.476 1.00 40.73 O HETATM 1237 O HOH 72 6.771 40.392 -15.288 1.00 45.34 O HETATM 1238 CAC UNN A 73 2.603 24.139 0.974 1.00 -0.04 C HETATM 1239 CBA UNN A 73 1.876 23.493 2.122 1.00 -0.05 C HETATM 1240 CAP UNN A 73 1.242 24.289 3.070 1.00 -0.07 C HETATM 1241 CAY UNN A 73 0.573 23.688 4.126 1.00 -0.06 C HETATM 1242 CAA UNN A 73 -0.119 24.526 5.169 1.00 -0.04 C HETATM 1243 H5 UNN A 73 0.009 25.591 4.927 1.00 0.04 H HETATM 1244 H6 UNN A 73 0.320 24.319 6.156 1.00 0.04 H HETATM 1245 H7 UNN A 73 -1.191 24.280 5.185 1.00 0.04 H HETATM 1246 CAZ UNN A 73 0.533 22.288 4.244 1.00 -0.06 C HETATM 1247 CAB UNN A 73 -0.177 21.706 5.365 1.00 -0.04 C HETATM 1248 H8 UNN A 73 -0.113 20.609 5.310 1.00 0.04 H HETATM 1249 H9 UNN A 73 -1.232 22.014 5.330 1.00 0.04 H HETATM 1250 H10 UNN A 73 0.276 22.053 6.306 1.00 0.04 H HETATM 1251 CAQ UNN A 73 1.164 21.489 3.299 1.00 -0.07 C HETATM 1252 CBE UNN A 73 1.842 22.086 2.234 1.00 -0.02 C HETATM 1253 CBF UNN A 73 2.526 21.244 1.198 1.00 0.13 C HETATM 1254 CAX UNN A 73 3.594 20.507 1.771 1.00 0.09 C HETATM 1255 CAU UNN A 73 4.727 21.210 2.527 1.00 0.15 C HETATM 1256 OAE UNN A 73 5.271 22.199 1.812 1.00 -0.39 O HETATM 1257 CBC UNN A 73 5.730 20.428 3.314 1.00 0.08 C HETATM 1258 CAK UNN A 73 5.355 19.224 4.251 1.00 -0.06 C HETATM 1259 CAI UNN A 73 6.786 18.782 4.911 1.00 -0.07 C HETATM 1260 CAJ UNN A 73 7.930 19.712 4.416 1.00 0.00 C HETATM 1261 SAS UNN A 73 7.303 20.849 3.357 1.00 -0.03 S HETATM 1262 H15 UNN A 73 8.975 19.636 4.712 1.00 0.08 H HETATM 1263 H14 UNN A 73 6.919 17.951 5.602 1.00 0.04 H HETATM 1264 H13 UNN A 73 4.373 18.786 4.421 1.00 0.05 H HETATM 1265 CAW UNN A 73 3.361 19.156 1.481 1.00 0.18 C HETATM 1266 OAG UNN A 73 4.123 18.142 1.821 1.00 -0.32 O HETATM 1267 H22 UNN A 73 3.736 17.335 1.501 1.00 0.25 H HETATM 1268 CAV UNN A 73 2.146 19.054 0.736 1.00 0.27 C HETATM 1269 OAF UNN A 73 1.589 17.905 0.274 1.00 -0.37 O HETATM 1270 NBG UNN A 73 1.623 20.287 0.565 1.00 -0.20 N HETATM 1271 CBD UNN A 73 0.470 20.632 -0.238 1.00 0.07 C HETATM 1272 CAO UNN A 73 0.630 21.463 -1.357 1.00 -0.05 C HETATM 1273 CAM UNN A 73 -0.475 21.811 -2.127 1.00 -0.07 C HETATM 1274 CBB UNN A 73 -1.734 21.328 -1.765 1.00 -0.04 C HETATM 1275 CAL UNN A 73 -1.885 20.504 -0.656 1.00 -0.07 C HETATM 1276 CAN UNN A 73 -0.782 20.162 0.118 1.00 -0.05 C HETATM 1277 H18 UNN A 73 -0.902 19.533 0.993 1.00 0.05 H HETATM 1278 H19 UNN A 73 -2.867 20.127 -0.394 1.00 0.05 H HETATM 1279 CAR UNN A 73 -2.954 21.653 -2.580 1.00 0.03 C HETATM 1280 CAT UNN A 73 -3.476 20.452 -3.345 1.00 0.04 C HETATM 1281 OAH UNN A 73 -4.581 19.940 -3.039 1.00 -0.57 O HETATM 1282 OAD UNN A 73 -2.795 19.949 -4.262 1.00 -0.57 O HETATM 1283 H20 UNN A 73 -2.698 22.445 -3.299 1.00 0.06 H HETATM 1284 H21 UNN A 73 -3.744 22.012 -1.905 1.00 0.06 H HETATM 1285 H17 UNN A 73 -0.360 22.448 -2.996 1.00 0.05 H HETATM 1286 H16 UNN A 73 1.614 21.834 -1.621 1.00 0.05 H HETATM 1287 H12 UNN A 73 2.927 21.915 0.424 1.00 0.09 H HETATM 1288 H11 UNN A 73 1.130 20.409 3.388 1.00 0.05 H HETATM 1289 H4 UNN A 73 1.270 25.369 2.984 1.00 0.05 H HETATM 1290 H1 UNN A 73 2.520 25.233 1.056 1.00 0.04 H HETATM 1291 H2 UNN A 73 2.157 23.808 0.025 1.00 0.04 H HETATM 1292 H3 UNN A 73 3.664 23.849 1.002 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1238 1239 1290 1291 1292 CONECT 1239 1238 1240 1252 CONECT 1240 1239 1241 1289 CONECT 1241 1240 1242 1246 CONECT 1242 1241 1243 1244 1245 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1242 CONECT 1246 1241 1247 1251 CONECT 1247 1246 1248 1249 1250 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 CONECT 1251 1246 1252 1288 CONECT 1252 1239 1251 1253 CONECT 1253 1252 1254 1270 1287 CONECT 1254 1253 1255 1265 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1261 CONECT 1258 1257 1259 1264 CONECT 1259 1258 1260 1263 CONECT 1260 1259 1261 1262 CONECT 1261 1257 1260 CONECT 1262 1260 CONECT 1263 1259 CONECT 1264 1258 CONECT 1265 1254 1266 1268 CONECT 1266 1265 1267 CONECT 1267 1266 CONECT 1268 1265 1269 1270 CONECT 1269 1268 CONECT 1270 1253 1268 1271 CONECT 1271 1270 1272 1276 CONECT 1272 1271 1273 1286 CONECT 1273 1272 1274 1285 CONECT 1274 1273 1275 1279 CONECT 1275 1274 1276 1278 CONECT 1276 1271 1275 1277 CONECT 1277 1276 CONECT 1278 1275 CONECT 1279 1274 1280 1283 1284 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1279 CONECT 1284 1279 CONECT 1285 1273 CONECT 1286 1272 CONECT 1287 1253 CONECT 1288 1251 CONECT 1289 1240 CONECT 1290 1238 CONECT 1291 1238 CONECT 1292 1238 MASTER 0 0 0 0 0 0 0 0 1291 1 59 10 END
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Structure:
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Related entries of code: 4ibb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3l25
RCSB PDB
PDBbind
129aa, >3L25_1|Chains... *
4ibc
RCSB PDB
PDBbind
129aa, >4IBC_1|Chains... at 100%
4ibd
RCSB PDB
PDBbind
129aa, >4IBD_1|Chains... at 100%
4ibe
RCSB PDB
PDBbind
129aa, >4IBE_1|Chains... at 100%
4ibf
RCSB PDB
PDBbind
129aa, >4IBF_1|Chains... at 100%
4ibg
RCSB PDB
PDBbind
129aa, >4IBG_1|Chains... at 100%
4ibi
RCSB PDB
PDBbind
129aa, >4IBI_1|Chains... at 100%
4ibj
RCSB PDB
PDBbind
129aa, >4IBJ_1|Chains... at 100%
4ibk
RCSB PDB
PDBbind
129aa, >4IBK_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ibb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
1DK
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=270.7uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Mol.Biol. Vol. 426: pp. 2045-2058
Ligand Properties
Formula
C
2
6
H
2
3
NO
5
S
Molecular Weight
461.530
Exact Mass
461.130
No. of atoms
56
No. of bonds
59
Polar Surface Area
123.15
LOGP Value
6.56 (
Computed with XLOGP3
)
5.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
OC(=O)Cc1ccc(cc1)N1C(=O)C(=C([C@@H]1c1cc(C)c(cc1C)C)C(=O)c1cccs1)O
InChI String
InChI=1S/C26H23NO5S/c1-14-11-16(3)19(12-15(14)2)23-22(24(30)20-5-4-10-33-20)25(31)26(32)27(23)18-8-6-17(7-9-18)13-21(28)29/h4-12,23,31H,13H2,1-3H3,(H,28,29)/t23-/m0/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):
Q05127
Entrez Gene ID
NCBI Entrez Gene ID:
911827
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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