Browse entries in the PDBbind-CN Database
HEADER 4IR5_COMPLEX COMPND 4IR5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 SER MET SER VAL LYS LYS PRO LYS ARG ASP ASP SER LYS SEQRES 2 A 116 ASP LEU ALA LEU CYS SER MET ILE LEU THR GLU MET GLU SEQRES 3 A 116 THR HIS GLU ASP ALA TRP PRO PHE LEU LEU PRO VAL ASN SEQRES 4 A 116 LEU LYS LEU VAL PRO GLY TYR LYS LYS VAL ILE LYS LYS SEQRES 5 A 116 PRO MET ASP PHE SER THR ILE ARG GLU LYS LEU SER SER SEQRES 6 A 116 GLY GLN TYR PRO ASN LEU GLU THR PHE ALA LEU ASP VAL SEQRES 7 A 116 ARG LEU VAL PHE ASP ASN CYS GLU THR PHE ASN GLU ASP SEQRES 8 A 116 ASP SER ASP ILE GLY ARG ALA GLY HIS ASN MET ARG LYS SEQRES 9 A 116 TYR PHE GLU LYS LYS TRP THR ASP THR PHE LYS VAL HET IR A 5 46 ATOM 1 N SER A1856 -10.737 29.114 -12.242 1.00 25.02 N ATOM 2 CA SER A1856 -11.235 28.413 -13.427 1.00 26.38 C ATOM 3 C SER A1856 -11.134 29.382 -14.607 1.00 26.20 C ATOM 4 O SER A1856 -10.523 30.460 -14.472 1.00 27.22 O ATOM 5 CB SER A1856 -12.688 27.968 -13.194 1.00 27.97 C ATOM 6 OG SER A1856 -13.572 29.064 -13.179 1.00 26.18 O ATOM 7 HG SER A1856 -13.525 29.536 -14.048 1.00 0.00 H ATOM 8 HN3 SER A1856 -11.318 29.959 -12.071 1.00 0.00 H ATOM 9 HN2 SER A1856 -9.749 29.397 -12.398 1.00 0.00 H ATOM 10 HN1 SER A1856 -10.792 28.482 -11.418 1.00 0.00 H ATOM 11 N MET A1857 -11.706 29.002 -15.754 1.00 25.92 N ATOM 12 CA MET A1857 -11.561 29.791 -16.970 1.00 29.55 C ATOM 13 C MET A1857 -11.986 31.245 -16.770 1.00 23.84 C ATOM 14 O MET A1857 -13.111 31.553 -16.353 1.00 23.08 O ATOM 15 CB MET A1857 -12.337 29.159 -18.140 1.00 24.67 C ATOM 16 CG MET A1857 -11.887 29.685 -19.420 1.00 25.94 C ATOM 17 SD MET A1857 -13.009 29.178 -20.773 1.00 25.09 S ATOM 18 CE MET A1857 -13.573 27.551 -20.375 1.00 29.47 C ATOM 19 H MET A1857 -12.266 28.126 -15.779 1.00 0.00 H ATOM 20 N SER A1858 -11.006 32.133 -16.924 1.00 24.61 N ATOM 21 CA SER A1858 -11.213 33.584 -16.851 1.00 27.73 C ATOM 22 C SER A1858 -11.510 34.108 -15.413 1.00 29.13 C ATOM 23 O SER A1858 -12.014 35.244 -15.225 1.00 32.58 O ATOM 24 CB SER A1858 -12.288 34.093 -17.829 1.00 28.38 C ATOM 25 OG SER A1858 -12.040 33.656 -19.190 1.00 28.16 O ATOM 26 HG SER A1858 -12.753 34.005 -19.782 1.00 0.00 H ATOM 27 H SER A1858 -10.045 31.780 -17.105 1.00 0.00 H ATOM 28 N VAL A1859 -11.205 33.283 -14.422 1.00 24.51 N ATOM 29 CA VAL A1859 -11.406 33.647 -13.016 1.00 26.23 C ATOM 30 C VAL A1859 -10.033 33.476 -12.408 1.00 32.36 C ATOM 31 O VAL A1859 -9.618 32.342 -12.096 1.00 37.47 O ATOM 32 CB VAL A1859 -12.487 32.782 -12.294 1.00 31.04 C ATOM 33 CG1 VAL A1859 -12.619 33.182 -10.821 1.00 40.00 C ATOM 34 CG2 VAL A1859 -13.827 32.858 -13.006 1.00 35.69 C ATOM 35 H VAL A1859 -10.811 32.348 -14.649 1.00 0.00 H ATOM 36 N LYS A1860 -9.329 34.600 -12.244 1.00 31.17 N ATOM 37 CA LYS A1860 -7.941 34.565 -11.773 1.00 32.43 C ATOM 38 C LYS A1860 -7.840 34.690 -10.271 1.00 28.52 C ATOM 39 O LYS A1860 -8.460 35.531 -9.658 1.00 29.20 O ATOM 40 CB LYS A1860 -7.046 35.593 -12.467 1.00 40.28 C ATOM 41 CG LYS A1860 -7.300 37.065 -12.210 1.00 58.61 C ATOM 42 CD LYS A1860 -6.065 37.894 -12.578 1.00 88.80 C ATOM 43 CE LYS A1860 -6.193 39.359 -12.167 1.00 91.44 C ATOM 44 NZ LYS A1860 -7.351 40.042 -12.816 1.00 90.07 N ATOM 45 HZ1 LYS A1860 -7.236 40.010 -13.849 1.00 0.00 H ATOM 46 HZ2 LYS A1860 -8.232 39.558 -12.549 1.00 0.00 H ATOM 47 HZ3 LYS A1860 -7.389 41.032 -12.501 1.00 0.00 H ATOM 48 H LYS A1860 -9.774 35.516 -12.454 1.00 0.00 H ATOM 49 N LYS A1861 -7.095 33.766 -9.715 1.00 31.45 N ATOM 50 CA LYS A1861 -6.878 33.651 -8.288 1.00 32.92 C ATOM 51 C LYS A1861 -5.640 34.480 -7.976 1.00 30.83 C ATOM 52 O LYS A1861 -4.665 34.469 -8.771 1.00 34.05 O ATOM 53 CB LYS A1861 -6.618 32.168 -8.017 1.00 36.53 C ATOM 54 CG LYS A1861 -6.322 31.748 -6.608 1.00 56.65 C ATOM 55 CD LYS A1861 -5.725 30.342 -6.626 1.00 62.26 C ATOM 56 CE LYS A1861 -6.267 29.463 -5.524 1.00 61.91 C ATOM 57 NZ LYS A1861 -5.987 29.927 -4.139 1.00 55.24 N ATOM 58 HZ1 LYS A1861 -4.959 29.980 -3.994 1.00 0.00 H ATOM 59 HZ2 LYS A1861 -6.407 30.868 -3.998 1.00 0.00 H ATOM 60 HZ3 LYS A1861 -6.400 29.256 -3.460 1.00 0.00 H ATOM 61 H LYS A1861 -6.631 33.073 -10.337 1.00 0.00 H ATOM 62 N PRO A1862 -5.624 35.140 -6.817 1.00 29.72 N ATOM 63 CA PRO A1862 -4.438 35.768 -6.345 1.00 31.98 C ATOM 64 C PRO A1862 -3.299 34.764 -6.252 1.00 31.51 C ATOM 65 O PRO A1862 -3.520 33.577 -5.903 1.00 32.64 O ATOM 66 CB PRO A1862 -4.821 36.240 -4.958 1.00 35.03 C ATOM 67 CG PRO A1862 -6.290 36.499 -5.062 1.00 37.43 C ATOM 68 CD PRO A1862 -6.776 35.431 -5.939 1.00 33.94 C ATOM 69 N LYS A1863 -2.131 35.219 -6.630 1.00 34.58 N ATOM 70 CA LYS A1863 -0.917 34.397 -6.599 1.00 37.23 C ATOM 71 C LYS A1863 0.200 35.172 -5.929 1.00 35.10 C ATOM 72 O LYS A1863 0.361 36.364 -6.125 1.00 39.00 O ATOM 73 CB LYS A1863 -0.451 34.023 -8.028 1.00 42.58 C ATOM 74 CG LYS A1863 -1.477 33.312 -8.896 1.00 63.34 C ATOM 75 CD LYS A1863 -1.344 31.798 -8.819 1.00 95.72 C ATOM 76 CE LYS A1863 -2.633 31.091 -9.228 1.00 87.11 C ATOM 77 NZ LYS A1863 -2.687 29.710 -8.679 1.00 71.58 N ATOM 78 HZ1 LYS A1863 -1.879 29.163 -9.040 1.00 0.00 H ATOM 79 HZ2 LYS A1863 -2.645 29.749 -7.641 1.00 0.00 H ATOM 80 HZ3 LYS A1863 -3.575 29.255 -8.974 1.00 0.00 H ATOM 81 H LYS A1863 -2.062 36.201 -6.965 1.00 0.00 H ATOM 82 N ARG A1864 1.003 34.469 -5.153 1.00 37.27 N ATOM 83 CA ARG A1864 2.172 35.066 -4.529 1.00 37.70 C ATOM 84 C ARG A1864 3.175 35.588 -5.574 1.00 41.72 C ATOM 85 O ARG A1864 3.248 35.083 -6.700 1.00 34.12 O ATOM 86 CB ARG A1864 2.818 34.069 -3.587 1.00 34.73 C ATOM 87 CG ARG A1864 3.434 32.834 -4.238 1.00 32.24 C ATOM 88 CD ARG A1864 4.162 31.955 -3.231 1.00 35.15 C ATOM 89 NE ARG A1864 5.441 32.530 -2.820 1.00 31.13 N ATOM 90 CZ ARG A1864 6.519 32.537 -3.581 1.00 28.05 C ATOM 91 NH1 ARG A1864 7.628 33.086 -3.138 1.00 26.79 N ATOM 92 NH2 ARG A1864 6.493 31.973 -4.805 1.00 27.83 N ATOM 93 HE ARG A1864 5.505 32.958 -1.874 1.00 0.00 H ATOM 94 HH12 ARG A1864 8.479 33.093 -3.735 1.00 0.00 H ATOM 95 HH11 ARG A1864 7.654 33.513 -2.190 1.00 0.00 H ATOM 96 HH22 ARG A1864 7.346 31.982 -5.400 1.00 0.00 H ATOM 97 HH21 ARG A1864 5.620 31.529 -5.155 1.00 0.00 H ATOM 98 H ARG A1864 0.795 33.464 -4.984 1.00 0.00 H ATOM 99 N ASP A1865 3.935 36.601 -5.177 1.00 33.91 N ATOM 100 CA ASP A1865 4.967 37.213 -6.027 1.00 32.48 C ATOM 101 C ASP A1865 6.147 36.268 -6.105 1.00 26.52 C ATOM 102 O ASP A1865 6.784 35.955 -5.077 1.00 28.70 O ATOM 103 CB ASP A1865 5.360 38.582 -5.446 1.00 36.86 C ATOM 104 CG ASP A1865 6.507 39.274 -6.204 1.00 43.27 C ATOM 105 OD1 ASP A1865 7.057 38.735 -7.181 1.00 32.34 O ATOM 106 OD2 ASP A1865 6.866 40.385 -5.790 1.00 48.50 O ATOM 107 H ASP A1865 3.794 36.980 -4.219 1.00 0.00 H ATOM 108 N ASP A1866 6.368 35.675 -7.285 1.00 25.98 N ATOM 109 CA ASP A1866 7.456 34.705 -7.425 1.00 21.52 C ATOM 110 C ASP A1866 8.730 35.277 -8.061 1.00 22.65 C ATOM 111 O ASP A1866 9.688 34.529 -8.279 1.00 22.41 O ATOM 112 CB ASP A1866 6.988 33.458 -8.192 1.00 24.42 C ATOM 113 CG ASP A1866 6.638 33.758 -9.641 1.00 29.85 C ATOM 114 OD1 ASP A1866 6.558 34.948 -10.004 1.00 34.64 O ATOM 115 OD2 ASP A1866 6.372 32.775 -10.381 1.00 36.51 O ATOM 116 H ASP A1866 5.767 35.903 -8.102 1.00 0.00 H ATOM 117 N SER A1867 8.770 36.589 -8.237 1.00 26.75 N ATOM 118 CA SER A1867 9.845 37.231 -9.007 1.00 29.36 C ATOM 119 C SER A1867 11.244 37.055 -8.415 1.00 30.77 C ATOM 120 O SER A1867 12.202 37.055 -9.159 1.00 28.13 O ATOM 121 CB SER A1867 9.546 38.719 -9.181 1.00 31.19 C ATOM 122 OG SER A1867 9.521 39.398 -7.928 1.00 30.36 O ATOM 123 HG SER A1867 8.819 39.002 -7.353 1.00 0.00 H ATOM 124 H SER A1867 8.022 37.180 -7.820 1.00 0.00 H ATOM 125 N LYS A1868 11.353 36.908 -7.087 1.00 25.97 N ATOM 126 CA LYS A1868 12.647 36.768 -6.385 1.00 26.48 C ATOM 127 C LYS A1868 13.005 35.323 -6.060 1.00 24.24 C ATOM 128 O LYS A1868 14.052 35.040 -5.475 1.00 23.70 O ATOM 129 CB LYS A1868 12.653 37.578 -5.066 1.00 26.13 C ATOM 130 CG LYS A1868 12.239 39.055 -5.195 1.00 30.36 C ATOM 131 CD LYS A1868 12.405 39.641 -6.600 1.00 35.74 C ATOM 132 CE LYS A1868 13.791 40.201 -6.847 1.00 45.78 C ATOM 133 NZ LYS A1868 13.961 40.738 -8.235 1.00 43.71 N ATOM 134 HZ1 LYS A1868 13.799 39.975 -8.923 1.00 0.00 H ATOM 135 HZ2 LYS A1868 13.275 41.503 -8.396 1.00 0.00 H ATOM 136 HZ3 LYS A1868 14.927 41.107 -8.347 1.00 0.00 H ATOM 137 H LYS A1868 10.481 36.892 -6.520 1.00 0.00 H ATOM 138 N ASP A1869 12.146 34.385 -6.423 1.00 20.68 N ATOM 139 CA ASP A1869 12.338 33.023 -6.040 1.00 18.40 C ATOM 140 C ASP A1869 13.702 32.463 -6.482 1.00 18.10 C ATOM 141 O ASP A1869 14.358 31.744 -5.722 1.00 19.96 O ATOM 142 CB ASP A1869 11.222 32.093 -6.563 1.00 20.29 C ATOM 143 CG ASP A1869 9.878 32.339 -5.890 1.00 22.61 C ATOM 144 OD1 ASP A1869 9.761 33.234 -5.015 1.00 21.86 O ATOM 145 OD2 ASP A1869 8.917 31.619 -6.242 1.00 20.17 O ATOM 146 H ASP A1869 11.318 34.644 -6.996 1.00 0.00 H ATOM 147 N LEU A1870 14.073 32.689 -7.739 1.00 19.01 N ATOM 148 CA LEU A1870 15.385 32.198 -8.211 1.00 18.10 C ATOM 149 C LEU A1870 16.559 32.675 -7.364 1.00 19.54 C ATOM 150 O LEU A1870 17.400 31.845 -6.924 1.00 19.70 O ATOM 151 CB LEU A1870 15.592 32.601 -9.688 1.00 21.93 C ATOM 152 CG LEU A1870 16.887 32.148 -10.351 1.00 27.53 C ATOM 153 CD1 LEU A1870 17.025 30.641 -10.316 1.00 24.24 C ATOM 154 CD2 LEU A1870 16.794 32.698 -11.803 1.00 32.17 C ATOM 155 H LEU A1870 13.445 33.208 -8.385 1.00 0.00 H ATOM 156 N ALA A1871 16.617 33.967 -7.122 1.00 22.32 N ATOM 157 CA ALA A1871 17.682 34.545 -6.286 1.00 21.61 C ATOM 158 C ALA A1871 17.655 33.984 -4.858 1.00 22.40 C ATOM 159 O ALA A1871 18.675 33.664 -4.274 1.00 23.14 O ATOM 160 CB ALA A1871 17.574 36.051 -6.277 1.00 26.27 C ATOM 161 H ALA A1871 15.894 34.594 -7.530 1.00 0.00 H ATOM 162 N LEU A1872 16.456 33.817 -4.324 1.00 20.80 N ATOM 163 CA LEU A1872 16.317 33.313 -2.963 1.00 21.61 C ATOM 164 C LEU A1872 16.685 31.849 -2.849 1.00 21.57 C ATOM 165 O LEU A1872 17.395 31.467 -1.898 1.00 20.38 O ATOM 166 CB LEU A1872 14.912 33.579 -2.432 1.00 21.79 C ATOM 167 CG LEU A1872 14.583 35.037 -2.244 1.00 24.23 C ATOM 168 CD1 LEU A1872 13.076 35.216 -2.094 1.00 27.89 C ATOM 169 CD2 LEU A1872 15.351 35.659 -1.069 1.00 31.46 C ATOM 170 H LEU A1872 15.607 34.047 -4.879 1.00 0.00 H ATOM 171 N CYS A1873 16.264 31.018 -3.808 1.00 17.88 N ATOM 172 CA CYS A1873 16.620 29.612 -3.802 1.00 17.75 C ATOM 173 C CYS A1873 18.135 29.477 -3.978 1.00 19.16 C ATOM 174 O CYS A1873 18.756 28.645 -3.331 1.00 18.91 O ATOM 175 CB CYS A1873 15.956 28.794 -4.879 1.00 15.29 C ATOM 176 SG CYS A1873 14.206 28.549 -4.540 1.00 18.35 S ATOM 177 H CYS A1873 15.668 31.388 -4.576 1.00 0.00 H ATOM 178 N SER A1874 18.718 30.351 -4.823 1.00 18.44 N ATOM 179 CA SER A1874 20.184 30.345 -5.022 1.00 19.11 C ATOM 180 C SER A1874 20.916 30.658 -3.706 1.00 20.30 C ATOM 181 O SER A1874 21.924 30.028 -3.385 1.00 20.14 O ATOM 182 CB SER A1874 20.611 31.333 -6.105 1.00 21.41 C ATOM 183 OG SER A1874 22.026 31.329 -6.267 1.00 15.76 O ATOM 184 HG SER A1874 22.455 31.587 -5.413 1.00 0.00 H ATOM 185 H SER A1874 18.131 31.036 -5.340 1.00 0.00 H ATOM 186 N MET A1875 20.436 31.666 -2.985 1.00 21.16 N ATOM 187 CA MET A1875 21.004 32.033 -1.677 1.00 21.04 C ATOM 188 C MET A1875 20.917 30.863 -0.684 1.00 21.24 C ATOM 189 O MET A1875 21.872 30.564 -0.003 1.00 21.35 O ATOM 190 CB MET A1875 20.283 33.235 -1.153 1.00 23.58 C ATOM 191 CG MET A1875 20.854 33.779 0.127 1.00 29.19 C ATOM 192 SD MET A1875 19.907 35.269 0.496 1.00 48.92 S ATOM 193 CE MET A1875 20.281 36.319 -0.913 1.00 66.65 C ATOM 194 H MET A1875 19.633 32.213 -3.357 1.00 0.00 H ATOM 195 N ILE A1876 19.747 30.220 -0.603 1.00 18.62 N ATOM 196 CA ILE A1876 19.590 29.059 0.277 1.00 18.65 C ATOM 197 C ILE A1876 20.581 27.959 -0.100 1.00 16.93 C ATOM 198 O ILE A1876 21.239 27.389 0.767 1.00 18.61 O ATOM 199 CB ILE A1876 18.141 28.529 0.272 1.00 17.58 C ATOM 200 CG1 ILE A1876 17.195 29.555 0.846 1.00 22.47 C ATOM 201 CG2 ILE A1876 18.052 27.225 1.071 1.00 20.08 C ATOM 202 CD1 ILE A1876 15.714 29.201 0.766 1.00 22.87 C ATOM 203 H ILE A1876 18.940 30.548 -1.171 1.00 0.00 H ATOM 204 N LEU A1877 20.728 27.698 -1.397 1.00 17.32 N ATOM 205 CA LEU A1877 21.606 26.649 -1.839 1.00 15.62 C ATOM 206 C LEU A1877 23.048 26.970 -1.487 1.00 16.53 C ATOM 207 O LEU A1877 23.762 26.092 -1.067 1.00 19.02 O ATOM 208 CB LEU A1877 21.472 26.448 -3.366 1.00 15.73 C ATOM 209 CG LEU A1877 22.220 25.248 -3.928 1.00 16.26 C ATOM 210 CD1 LEU A1877 21.868 23.945 -3.273 1.00 19.44 C ATOM 211 CD2 LEU A1877 21.939 25.123 -5.426 1.00 20.64 C ATOM 212 H LEU A1877 20.202 28.259 -2.098 1.00 0.00 H ATOM 213 N THR A1878 23.415 28.229 -1.639 1.00 17.58 N ATOM 214 CA THR A1878 24.751 28.717 -1.259 1.00 19.06 C ATOM 215 C THR A1878 25.005 28.448 0.240 1.00 18.12 C ATOM 216 O THR A1878 26.067 27.916 0.607 1.00 20.84 O ATOM 217 CB THR A1878 24.974 30.172 -1.602 1.00 23.91 C ATOM 218 OG1 THR A1878 24.894 30.341 -3.032 1.00 22.04 O ATOM 219 CG2 THR A1878 26.344 30.639 -1.125 1.00 26.40 C ATOM 220 HG1 THR A1878 23.999 30.059 -3.347 1.00 0.00 H ATOM 221 H THR A1878 22.733 28.903 -2.043 1.00 0.00 H ATOM 222 N GLU A1879 24.011 28.765 1.064 1.00 20.13 N ATOM 223 CA GLU A1879 24.134 28.525 2.511 1.00 20.93 C ATOM 224 C GLU A1879 24.296 27.012 2.802 1.00 17.72 C ATOM 225 O GLU A1879 25.071 26.645 3.702 1.00 21.76 O ATOM 226 CB GLU A1879 22.933 29.123 3.257 1.00 22.88 C ATOM 227 CG GLU A1879 22.966 30.629 3.214 1.00 24.96 C ATOM 228 CD GLU A1879 21.678 31.328 3.629 1.00 33.51 C ATOM 229 OE1 GLU A1879 20.601 30.703 3.651 1.00 33.55 O ATOM 230 OE2 GLU A1879 21.750 32.544 3.812 1.00 46.71 O ATOM 231 H GLU A1879 23.140 29.186 0.683 1.00 0.00 H ATOM 232 N MET A1880 23.565 26.185 2.071 1.00 18.00 N ATOM 233 CA MET A1880 23.663 24.708 2.166 1.00 15.83 C ATOM 234 C MET A1880 25.070 24.251 1.774 1.00 20.05 C ATOM 235 O MET A1880 25.684 23.449 2.451 1.00 19.68 O ATOM 236 CB MET A1880 22.654 24.016 1.258 1.00 19.63 C ATOM 237 CG MET A1880 21.210 24.437 1.479 1.00 22.81 C ATOM 238 SD MET A1880 20.579 23.860 3.051 1.00 22.76 S ATOM 239 CE MET A1880 20.343 22.168 2.524 1.00 24.70 C ATOM 240 H MET A1880 22.887 26.592 1.395 1.00 0.00 H ATOM 241 N GLU A1881 25.537 24.758 0.639 1.00 19.24 N ATOM 242 CA GLU A1881 26.838 24.351 0.102 1.00 21.69 C ATOM 243 C GLU A1881 27.985 24.682 1.003 1.00 21.80 C ATOM 244 O GLU A1881 28.978 23.962 1.007 1.00 21.98 O ATOM 245 CB GLU A1881 27.088 25.033 -1.253 1.00 21.23 C ATOM 246 CG GLU A1881 26.271 24.507 -2.412 1.00 20.50 C ATOM 247 CD GLU A1881 26.245 25.475 -3.600 1.00 20.60 C ATOM 248 OE1 GLU A1881 26.585 26.683 -3.517 1.00 27.34 O ATOM 249 OE2 GLU A1881 25.785 25.044 -4.673 1.00 23.62 O ATOM 250 H GLU A1881 24.968 25.458 0.121 1.00 0.00 H ATOM 251 N THR A1882 27.874 25.724 1.829 1.00 20.55 N ATOM 252 CA THR A1882 28.982 26.171 2.651 1.00 24.72 C ATOM 253 C THR A1882 28.852 25.712 4.140 1.00 21.84 C ATOM 254 O THR A1882 29.711 25.960 4.965 1.00 25.57 O ATOM 255 CB THR A1882 29.128 27.689 2.597 1.00 30.32 C ATOM 256 OG1 THR A1882 27.924 28.292 3.019 1.00 27.21 O ATOM 257 CG2 THR A1882 29.410 28.149 1.196 1.00 29.22 C ATOM 258 HG1 THR A1882 27.187 28.009 2.421 1.00 0.00 H ATOM 259 H THR A1882 26.967 26.230 1.885 1.00 0.00 H ATOM 260 N HIS A1883 27.771 24.987 4.426 1.00 19.50 N ATOM 261 CA HIS A1883 27.597 24.382 5.747 1.00 21.41 C ATOM 262 C HIS A1883 28.687 23.338 6.002 1.00 20.22 C ATOM 263 O HIS A1883 28.965 22.523 5.149 1.00 21.34 O ATOM 264 CB HIS A1883 26.236 23.702 5.841 1.00 21.19 C ATOM 265 CG HIS A1883 25.771 23.423 7.248 1.00 21.04 C ATOM 266 ND1 HIS A1883 26.367 22.495 8.062 1.00 24.31 N ATOM 267 CD2 HIS A1883 24.684 23.872 7.928 1.00 25.15 C ATOM 268 CE1 HIS A1883 25.726 22.434 9.217 1.00 28.34 C ATOM 269 NE2 HIS A1883 24.670 23.237 9.144 1.00 24.36 N ATOM 270 H HIS A1883 27.040 24.849 3.699 1.00 0.00 H ATOM 271 N GLU A1884 29.196 23.307 7.207 1.00 24.87 N ATOM 272 CA GLU A1884 30.273 22.355 7.518 1.00 27.23 C ATOM 273 C GLU A1884 29.835 20.886 7.353 1.00 26.46 C ATOM 274 O GLU A1884 30.651 20.040 7.002 1.00 24.99 O ATOM 275 CB GLU A1884 30.924 22.649 8.874 1.00 36.85 C ATOM 276 CG GLU A1884 30.364 21.956 10.087 1.00 40.24 C ATOM 277 CD GLU A1884 31.313 22.002 11.337 1.00 35.41 C ATOM 278 OE1 GLU A1884 31.292 22.990 12.060 1.00 47.75 O ATOM 279 OE2 GLU A1884 32.112 21.057 11.560 1.00 46.39 O ATOM 280 H GLU A1884 28.841 23.952 7.941 1.00 0.00 H ATOM 281 N ASP A1885 28.554 20.587 7.539 1.00 20.63 N ATOM 282 CA ASP A1885 28.006 19.223 7.377 1.00 19.85 C ATOM 283 C ASP A1885 27.527 18.873 5.981 1.00 17.23 C ATOM 284 O ASP A1885 26.868 17.838 5.763 1.00 19.76 O ATOM 285 CB ASP A1885 26.895 18.934 8.389 1.00 22.43 C ATOM 286 CG ASP A1885 27.371 18.961 9.805 1.00 24.62 C ATOM 287 OD1 ASP A1885 28.608 18.799 10.151 1.00 22.27 O ATOM 288 OD2 ASP A1885 26.484 19.103 10.680 1.00 25.80 O ATOM 289 H ASP A1885 27.904 21.351 7.812 1.00 0.00 H ATOM 290 N ALA A1886 27.806 19.755 5.005 1.00 17.30 N ATOM 291 CA ALA A1886 27.413 19.550 3.631 1.00 17.11 C ATOM 292 C ALA A1886 28.246 18.508 2.902 1.00 16.38 C ATOM 293 O ALA A1886 27.876 18.111 1.784 1.00 15.94 O ATOM 294 CB ALA A1886 27.460 20.854 2.870 1.00 19.45 C ATOM 295 H ALA A1886 28.327 20.621 5.250 1.00 0.00 H ATOM 296 N TRP A1887 29.383 18.147 3.489 1.00 19.43 N ATOM 297 CA TRP A1887 30.353 17.354 2.769 1.00 19.35 C ATOM 298 C TRP A1887 29.826 16.071 2.117 1.00 18.32 C ATOM 299 O TRP A1887 30.380 15.694 1.063 1.00 18.63 O ATOM 300 CB TRP A1887 31.564 17.074 3.638 1.00 20.35 C ATOM 301 CG TRP A1887 31.266 16.324 4.920 1.00 19.57 C ATOM 302 CD1 TRP A1887 31.053 16.896 6.171 1.00 23.86 C ATOM 303 CD2 TRP A1887 31.174 14.921 5.105 1.00 19.96 C ATOM 304 NE1 TRP A1887 30.781 15.915 7.090 1.00 23.88 N ATOM 305 CE2 TRP A1887 30.862 14.689 6.473 1.00 20.30 C ATOM 306 CE3 TRP A1887 31.359 13.809 4.265 1.00 22.38 C ATOM 307 CZ2 TRP A1887 30.699 13.416 6.983 1.00 22.35 C ATOM 308 CZ3 TRP A1887 31.174 12.550 4.790 1.00 20.73 C ATOM 309 CH2 TRP A1887 30.862 12.362 6.130 1.00 23.83 C ATOM 310 HE1 TRP A1887 30.551 16.073 8.092 1.00 0.00 H ATOM 311 H TRP A1887 29.575 18.436 4.469 1.00 0.00 H ATOM 312 N PRO A1888 28.834 15.347 2.713 1.00 16.72 N ATOM 313 CA PRO A1888 28.365 14.139 2.004 1.00 17.69 C ATOM 314 C PRO A1888 27.592 14.426 0.713 1.00 16.74 C ATOM 315 O PRO A1888 27.355 13.527 -0.062 1.00 17.18 O ATOM 316 CB PRO A1888 27.425 13.432 3.039 1.00 16.24 C ATOM 317 CG PRO A1888 27.794 14.025 4.357 1.00 17.21 C ATOM 318 CD PRO A1888 28.160 15.459 4.031 1.00 18.25 C ATOM 319 N PHE A1889 27.132 15.672 0.536 1.00 14.60 N ATOM 320 CA PHE A1889 26.091 16.029 -0.401 1.00 17.76 C ATOM 321 C PHE A1889 26.585 16.922 -1.535 1.00 16.49 C ATOM 322 O PHE A1889 25.790 17.361 -2.360 1.00 16.76 O ATOM 323 CB PHE A1889 24.939 16.734 0.345 1.00 16.20 C ATOM 324 CG PHE A1889 24.481 15.994 1.552 1.00 15.23 C ATOM 325 CD1 PHE A1889 23.947 14.714 1.426 1.00 15.34 C ATOM 326 CD2 PHE A1889 24.684 16.483 2.819 1.00 14.53 C ATOM 327 CE1 PHE A1889 23.597 13.960 2.542 1.00 16.41 C ATOM 328 CE2 PHE A1889 24.330 15.739 3.959 1.00 16.81 C ATOM 329 CZ PHE A1889 23.801 14.463 3.823 1.00 15.68 C ATOM 330 H PHE A1889 27.551 16.431 1.110 1.00 0.00 H ATOM 331 N LEU A1890 27.859 17.229 -1.572 1.00 15.63 N ATOM 332 CA LEU A1890 28.355 18.243 -2.485 1.00 17.22 C ATOM 333 C LEU A1890 28.392 17.735 -3.952 1.00 19.01 C ATOM 334 O LEU A1890 28.203 18.524 -4.869 1.00 21.57 O ATOM 335 CB LEU A1890 29.729 18.697 -2.059 1.00 19.14 C ATOM 336 CG LEU A1890 29.854 19.411 -0.703 1.00 18.95 C ATOM 337 CD1 LEU A1890 31.298 19.832 -0.489 1.00 25.76 C ATOM 338 CD2 LEU A1890 28.881 20.545 -0.638 1.00 21.67 C ATOM 339 H LEU A1890 28.523 16.740 -0.939 1.00 0.00 H ATOM 340 N LEU A1891 28.678 16.449 -4.120 1.00 16.41 N ATOM 341 CA LEU A1891 28.779 15.781 -5.424 1.00 17.82 C ATOM 342 C LEU A1891 27.876 14.556 -5.427 1.00 18.54 C ATOM 343 O LEU A1891 27.579 13.996 -4.370 1.00 19.25 O ATOM 344 CB LEU A1891 30.220 15.351 -5.688 1.00 19.98 C ATOM 345 CG LEU A1891 31.217 16.514 -5.794 1.00 22.04 C ATOM 346 CD1 LEU A1891 32.666 16.055 -5.893 1.00 24.46 C ATOM 347 CD2 LEU A1891 30.889 17.439 -6.957 1.00 27.69 C ATOM 348 H LEU A1891 28.842 15.875 -3.269 1.00 0.00 H ATOM 349 N PRO A1892 27.568 14.021 -6.630 1.00 18.16 N ATOM 350 CA PRO A1892 26.839 12.762 -6.690 1.00 18.52 C ATOM 351 C PRO A1892 27.595 11.705 -5.874 1.00 16.99 C ATOM 352 O PRO A1892 28.855 11.660 -5.887 1.00 19.64 O ATOM 353 CB PRO A1892 26.867 12.396 -8.182 1.00 18.42 C ATOM 354 CG PRO A1892 26.974 13.731 -8.851 1.00 22.09 C ATOM 355 CD PRO A1892 27.835 14.583 -7.974 1.00 21.25 C ATOM 356 N VAL A1893 26.838 10.855 -5.222 1.00 18.75 N ATOM 357 CA VAL A1893 27.413 9.650 -4.595 1.00 18.10 C ATOM 358 C VAL A1893 28.086 8.823 -5.680 1.00 19.62 C ATOM 359 O VAL A1893 27.514 8.627 -6.758 1.00 21.94 O ATOM 360 CB VAL A1893 26.328 8.803 -3.881 1.00 18.77 C ATOM 361 CG1 VAL A1893 26.918 7.497 -3.373 1.00 21.45 C ATOM 362 CG2 VAL A1893 25.693 9.591 -2.760 1.00 20.91 C ATOM 363 H VAL A1893 25.816 11.034 -5.146 1.00 0.00 H ATOM 364 N ASN A1894 29.332 8.415 -5.459 1.00 21.93 N ATOM 365 CA ASN A1894 30.087 7.769 -6.472 1.00 22.54 C ATOM 366 C ASN A1894 29.645 6.303 -6.634 1.00 25.66 C ATOM 367 O ASN A1894 29.889 5.475 -5.754 1.00 27.70 O ATOM 368 CB ASN A1894 31.588 7.837 -6.142 1.00 25.92 C ATOM 369 CG ASN A1894 32.447 7.213 -7.221 1.00 32.38 C ATOM 370 OD1 ASN A1894 31.996 6.373 -7.983 1.00 37.29 O ATOM 371 ND2 ASN A1894 33.701 7.638 -7.290 1.00 42.08 N ATOM 372 HD22 ASN A1894 34.044 8.356 -6.620 1.00 0.00 H ATOM 373 HD21 ASN A1894 34.341 7.254 -8.014 1.00 0.00 H ATOM 374 H ASN A1894 29.762 8.572 -4.525 1.00 0.00 H ATOM 375 N LEU A1895 28.982 6.043 -7.752 1.00 27.89 N ATOM 376 CA LEU A1895 28.202 4.814 -7.959 1.00 41.16 C ATOM 377 C LEU A1895 29.070 3.632 -8.221 1.00 44.17 C ATOM 378 O LEU A1895 28.585 2.484 -8.169 1.00 47.85 O ATOM 379 CB LEU A1895 27.222 4.977 -9.125 1.00 34.51 C ATOM 380 CG LEU A1895 26.093 5.973 -9.000 1.00 42.22 C ATOM 381 CD1 LEU A1895 25.184 5.888 -10.219 1.00 53.74 C ATOM 382 CD2 LEU A1895 25.323 5.715 -7.723 1.00 33.97 C ATOM 383 H LEU A1895 29.015 6.743 -8.521 1.00 0.00 H ATOM 384 N LYS A1896 30.354 3.880 -8.507 1.00 48.89 N ATOM 385 CA LYS A1896 31.318 2.798 -8.716 1.00 53.53 C ATOM 386 C LYS A1896 32.062 2.464 -7.423 1.00 47.48 C ATOM 387 O LYS A1896 32.636 1.394 -7.293 1.00 54.72 O ATOM 388 CB LYS A1896 32.293 3.162 -9.852 1.00 58.19 C ATOM 389 CG LYS A1896 31.590 3.301 -11.197 1.00 56.98 C ATOM 390 CD LYS A1896 32.490 3.001 -12.394 1.00 75.13 C ATOM 391 CE LYS A1896 33.236 4.232 -12.882 1.00100.31 C ATOM 392 NZ LYS A1896 33.707 4.065 -14.284 1.00103.99 N ATOM 393 HZ1 LYS A1896 34.348 3.248 -14.338 1.00 0.00 H ATOM 394 HZ2 LYS A1896 32.889 3.907 -14.907 1.00 0.00 H ATOM 395 HZ3 LYS A1896 34.211 4.924 -14.584 1.00 0.00 H ATOM 396 H LYS A1896 30.675 4.866 -8.583 1.00 0.00 H ATOM 397 N LEU A1897 31.934 3.351 -6.446 1.00 38.76 N ATOM 398 CA LEU A1897 32.609 3.275 -5.164 1.00 32.13 C ATOM 399 C LEU A1897 31.710 2.879 -3.957 1.00 38.24 C ATOM 400 O LEU A1897 32.206 2.544 -2.862 1.00 40.18 O ATOM 401 CB LEU A1897 33.254 4.638 -4.883 1.00 55.81 C ATOM 402 CG LEU A1897 34.041 4.885 -3.588 1.00 74.16 C ATOM 403 CD1 LEU A1897 35.274 5.727 -3.888 1.00106.58 C ATOM 404 CD2 LEU A1897 33.202 5.564 -2.519 1.00 90.57 C ATOM 405 H LEU A1897 31.303 4.161 -6.611 1.00 0.00 H ATOM 406 N VAL A1898 30.393 2.995 -4.121 1.00 26.97 N ATOM 407 CA VAL A1898 29.461 2.736 -3.030 1.00 23.60 C ATOM 408 C VAL A1898 28.550 1.580 -3.502 1.00 22.62 C ATOM 409 O VAL A1898 27.588 1.834 -4.235 1.00 25.92 O ATOM 410 CB VAL A1898 28.599 3.959 -2.674 1.00 23.27 C ATOM 411 CG1 VAL A1898 27.695 3.670 -1.488 1.00 25.41 C ATOM 412 CG2 VAL A1898 29.485 5.173 -2.387 1.00 25.38 C ATOM 413 H VAL A1898 30.020 3.277 -5.050 1.00 0.00 H ATOM 414 N PRO A1899 28.884 0.351 -3.102 1.00 25.09 N ATOM 415 CA PRO A1899 28.103 -0.842 -3.457 1.00 28.90 C ATOM 416 C PRO A1899 26.636 -0.627 -3.089 1.00 24.14 C ATOM 417 O PRO A1899 26.336 0.006 -2.103 1.00 26.81 O ATOM 418 CB PRO A1899 28.727 -1.951 -2.603 1.00 37.10 C ATOM 419 CG PRO A1899 30.130 -1.519 -2.388 1.00 43.43 C ATOM 420 CD PRO A1899 30.122 -0.015 -2.367 1.00 34.51 C ATOM 421 N GLY A1900 25.758 -1.012 -3.983 1.00 28.78 N ATOM 422 CA GLY A1900 24.334 -0.999 -3.684 1.00 35.75 C ATOM 423 C GLY A1900 23.636 0.303 -4.027 1.00 28.86 C ATOM 424 O GLY A1900 22.412 0.314 -4.183 1.00 25.81 O ATOM 425 H GLY A1900 26.083 -1.331 -4.918 1.00 0.00 H ATOM 426 N TYR A1901 24.371 1.425 -4.092 1.00 25.97 N ATOM 427 CA TYR A1901 23.707 2.724 -4.161 1.00 23.28 C ATOM 428 C TYR A1901 22.813 2.856 -5.375 1.00 22.27 C ATOM 429 O TYR A1901 21.665 3.310 -5.322 1.00 22.71 O ATOM 430 CB TYR A1901 24.708 3.897 -4.089 1.00 22.45 C ATOM 431 CG TYR A1901 24.023 5.158 -3.646 1.00 18.91 C ATOM 432 CD1 TYR A1901 23.536 6.075 -4.563 1.00 19.93 C ATOM 433 CD2 TYR A1901 23.827 5.412 -2.305 1.00 21.15 C ATOM 434 CE1 TYR A1901 22.868 7.236 -4.164 1.00 19.86 C ATOM 435 CE2 TYR A1901 23.184 6.571 -1.878 1.00 21.68 C ATOM 436 CZ TYR A1901 22.703 7.483 -2.812 1.00 19.33 C ATOM 437 OH TYR A1901 22.018 8.588 -2.384 1.00 18.95 O ATOM 438 HH TYR A1901 21.747 9.130 -3.167 1.00 0.00 H ATOM 439 H TYR A1901 25.409 1.369 -4.093 1.00 0.00 H ATOM 440 N LYS A1902 23.365 2.483 -6.506 1.00 26.68 N ATOM 441 CA LYS A1902 22.649 2.607 -7.745 1.00 29.45 C ATOM 442 C LYS A1902 21.349 1.776 -7.742 1.00 28.27 C ATOM 443 O LYS A1902 20.365 2.199 -8.332 1.00 30.58 O ATOM 444 CB LYS A1902 23.539 2.131 -8.916 1.00 33.71 C ATOM 445 CG LYS A1902 22.919 2.458 -10.280 1.00 39.82 C ATOM 446 CD LYS A1902 23.830 2.141 -11.445 1.00 50.72 C ATOM 447 CE LYS A1902 23.090 2.391 -12.751 1.00 57.83 C ATOM 448 NZ LYS A1902 23.901 1.966 -13.917 1.00 73.36 N ATOM 449 HZ1 LYS A1902 24.792 2.502 -13.932 1.00 0.00 H ATOM 450 HZ2 LYS A1902 24.108 0.950 -13.842 1.00 0.00 H ATOM 451 HZ3 LYS A1902 23.370 2.149 -14.792 1.00 0.00 H ATOM 452 H LYS A1902 24.330 2.094 -6.505 1.00 0.00 H ATOM 453 N LYS A1903 21.387 0.579 -7.138 1.00 23.93 N ATOM 454 CA LYS A1903 20.203 -0.272 -7.105 1.00 26.58 C ATOM 455 C LYS A1903 19.153 0.265 -6.135 1.00 26.44 C ATOM 456 O LYS A1903 17.969 0.233 -6.428 1.00 31.14 O ATOM 457 CB LYS A1903 20.574 -1.679 -6.697 1.00 26.63 C ATOM 458 CG LYS A1903 19.400 -2.671 -6.652 1.00 27.82 C ATOM 459 CD LYS A1903 18.615 -2.688 -7.955 1.00 33.40 C ATOM 460 CE LYS A1903 17.448 -3.703 -7.888 1.00 31.91 C ATOM 461 NZ LYS A1903 17.881 -4.963 -8.190 1.00 39.47 N ATOM 462 HZ1 LYS A1903 18.277 -4.971 -9.151 1.00 0.00 H ATOM 463 HZ2 LYS A1903 18.614 -5.249 -7.509 1.00 0.00 H ATOM 464 HZ3 LYS A1903 17.081 -5.625 -8.138 1.00 0.00 H ATOM 465 H LYS A1903 22.268 0.255 -6.690 1.00 0.00 H ATOM 466 N VAL A1904 19.595 0.626 -4.938 1.00 24.08 N ATOM 467 CA VAL A1904 18.714 0.992 -3.874 1.00 25.27 C ATOM 468 C VAL A1904 18.079 2.385 -4.063 1.00 25.15 C ATOM 469 O VAL A1904 16.866 2.509 -3.831 1.00 25.00 O ATOM 470 CB VAL A1904 19.466 0.941 -2.511 1.00 25.69 C ATOM 471 CG1 VAL A1904 18.621 1.515 -1.390 1.00 24.52 C ATOM 472 CG2 VAL A1904 19.868 -0.480 -2.182 1.00 27.42 C ATOM 473 H VAL A1904 20.621 0.643 -4.767 1.00 0.00 H ATOM 474 N ILE A1905 18.858 3.374 -4.501 1.00 23.02 N ATOM 475 CA ILE A1905 18.428 4.788 -4.557 1.00 22.51 C ATOM 476 C ILE A1905 18.047 5.087 -6.011 1.00 22.42 C ATOM 477 O ILE A1905 18.915 5.262 -6.878 1.00 25.36 O ATOM 478 CB ILE A1905 19.557 5.732 -4.064 1.00 19.93 C ATOM 479 CG1 ILE A1905 19.856 5.483 -2.573 1.00 20.31 C ATOM 480 CG2 ILE A1905 19.175 7.216 -4.212 1.00 20.49 C ATOM 481 CD1 ILE A1905 18.664 5.556 -1.636 1.00 23.90 C ATOM 482 H ILE A1905 19.819 3.139 -4.820 1.00 0.00 H ATOM 483 N LYS A1906 16.756 5.140 -6.293 1.00 24.45 N ATOM 484 CA LYS A1906 16.297 5.213 -7.678 1.00 25.28 C ATOM 485 C LYS A1906 16.501 6.568 -8.332 1.00 26.42 C ATOM 486 O LYS A1906 16.641 6.629 -9.532 1.00 26.40 O ATOM 487 CB LYS A1906 14.814 4.822 -7.781 1.00 28.09 C ATOM 488 CG LYS A1906 14.526 3.403 -7.308 1.00 33.76 C ATOM 489 CD LYS A1906 15.465 2.387 -7.936 1.00 42.32 C ATOM 490 CE LYS A1906 15.113 0.974 -7.517 1.00 42.72 C ATOM 491 NZ LYS A1906 15.863 -0.037 -8.320 1.00 38.58 N ATOM 492 HZ1 LYS A1906 15.627 0.077 -9.326 1.00 0.00 H ATOM 493 HZ2 LYS A1906 16.885 0.103 -8.184 1.00 0.00 H ATOM 494 HZ3 LYS A1906 15.598 -0.993 -8.007 1.00 0.00 H ATOM 495 H LYS A1906 16.060 5.130 -5.520 1.00 0.00 H ATOM 496 N LYS A1907 16.506 7.634 -7.526 1.00 22.66 N ATOM 497 CA LYS A1907 16.676 9.010 -8.003 1.00 20.82 C ATOM 498 C LYS A1907 17.744 9.715 -7.205 1.00 20.44 C ATOM 499 O LYS A1907 17.470 10.462 -6.260 1.00 19.54 O ATOM 500 CB LYS A1907 15.355 9.762 -7.890 1.00 21.94 C ATOM 501 CG LYS A1907 14.246 9.144 -8.685 1.00 30.15 C ATOM 502 CD LYS A1907 13.911 9.989 -9.906 1.00 58.69 C ATOM 503 CE LYS A1907 13.522 11.444 -9.559 1.00 56.68 C ATOM 504 NZ LYS A1907 12.137 11.658 -9.043 1.00 53.30 N ATOM 505 HZ1 LYS A1907 11.450 11.342 -9.757 1.00 0.00 H ATOM 506 HZ2 LYS A1907 12.006 11.112 -8.168 1.00 0.00 H ATOM 507 HZ3 LYS A1907 11.994 12.669 -8.846 1.00 0.00 H ATOM 508 H LYS A1907 16.383 7.479 -6.505 1.00 0.00 H ATOM 509 N PRO A1908 19.022 9.411 -7.503 1.00 21.37 N ATOM 510 CA PRO A1908 20.081 10.125 -6.824 1.00 17.06 C ATOM 511 C PRO A1908 19.994 11.647 -6.986 1.00 17.71 C ATOM 512 O PRO A1908 19.559 12.148 -8.060 1.00 19.36 O ATOM 513 CB PRO A1908 21.365 9.589 -7.458 1.00 21.04 C ATOM 514 CG PRO A1908 20.962 8.313 -8.086 1.00 25.77 C ATOM 515 CD PRO A1908 19.539 8.518 -8.540 1.00 22.27 C ATOM 516 N MET A1909 20.390 12.375 -5.953 1.00 17.38 N ATOM 517 CA MET A1909 20.449 13.825 -6.050 1.00 16.84 C ATOM 518 C MET A1909 21.497 14.344 -5.103 1.00 17.91 C ATOM 519 O MET A1909 21.761 13.739 -4.060 1.00 17.33 O ATOM 520 CB MET A1909 19.046 14.458 -5.793 1.00 15.71 C ATOM 521 CG MET A1909 18.912 15.952 -6.022 1.00 17.94 C ATOM 522 SD MET A1909 19.425 16.474 -7.657 1.00 18.78 S ATOM 523 CE MET A1909 18.455 15.431 -8.726 1.00 21.92 C ATOM 524 H MET A1909 20.661 11.906 -5.065 1.00 0.00 H ATOM 525 N ASP A1910 22.077 15.486 -5.464 1.00 14.95 N ATOM 526 CA ASP A1910 23.096 16.127 -4.670 1.00 13.12 C ATOM 527 C ASP A1910 23.115 17.614 -4.960 1.00 15.04 C ATOM 528 O ASP A1910 22.496 18.068 -5.932 1.00 16.29 O ATOM 529 CB ASP A1910 24.464 15.509 -4.986 1.00 16.64 C ATOM 530 CG ASP A1910 24.933 15.925 -6.360 1.00 18.88 C ATOM 531 OD1 ASP A1910 24.464 15.352 -7.337 1.00 19.38 O ATOM 532 OD2 ASP A1910 25.716 16.886 -6.451 1.00 20.30 O ATOM 533 H ASP A1910 21.783 15.935 -6.355 1.00 0.00 H ATOM 534 N PHE A1911 23.828 18.357 -4.126 1.00 15.81 N ATOM 535 CA PHE A1911 23.827 19.810 -4.227 1.00 15.33 C ATOM 536 C PHE A1911 24.421 20.311 -5.568 1.00 15.02 C ATOM 537 O PHE A1911 23.950 21.322 -6.093 1.00 16.24 O ATOM 538 CB PHE A1911 24.554 20.496 -3.095 1.00 16.53 C ATOM 539 CG PHE A1911 23.992 20.254 -1.698 1.00 14.83 C ATOM 540 CD1 PHE A1911 22.686 19.736 -1.490 1.00 16.16 C ATOM 541 CD2 PHE A1911 24.697 20.692 -0.599 1.00 15.94 C ATOM 542 CE1 PHE A1911 22.174 19.581 -0.206 1.00 17.21 C ATOM 543 CE2 PHE A1911 24.187 20.548 0.668 1.00 17.31 C ATOM 544 CZ PHE A1911 22.913 19.986 0.844 1.00 15.47 C ATOM 545 H PHE A1911 24.397 17.895 -3.388 1.00 0.00 H ATOM 546 N SER A1912 25.486 19.690 -6.085 1.00 15.73 N ATOM 547 CA SER A1912 26.060 20.155 -7.378 1.00 17.76 C ATOM 548 C SER A1912 25.064 19.968 -8.518 1.00 17.78 C ATOM 549 O SER A1912 24.991 20.813 -9.418 1.00 17.52 O ATOM 550 CB SER A1912 27.401 19.492 -7.672 1.00 17.91 C ATOM 551 OG SER A1912 27.189 18.133 -8.129 1.00 21.02 O ATOM 552 HG SER A1912 26.717 17.620 -7.426 1.00 0.00 H ATOM 553 H SER A1912 25.913 18.884 -5.585 1.00 0.00 H ATOM 554 N THR A1913 24.250 18.906 -8.464 1.00 16.76 N ATOM 555 CA THR A1913 23.222 18.663 -9.507 1.00 18.04 C ATOM 556 C THR A1913 22.090 19.691 -9.393 1.00 18.18 C ATOM 557 O THR A1913 21.614 20.264 -10.379 1.00 17.49 O ATOM 558 CB THR A1913 22.720 17.230 -9.402 1.00 18.19 C ATOM 559 OG1 THR A1913 23.869 16.345 -9.664 1.00 17.51 O ATOM 560 CG2 THR A1913 21.634 16.955 -10.426 1.00 18.71 C ATOM 561 HG1 THR A1913 24.223 16.525 -10.571 1.00 0.00 H ATOM 562 H THR A1913 24.340 18.236 -7.673 1.00 0.00 H ATOM 563 N ILE A1914 21.700 19.966 -8.165 1.00 17.79 N ATOM 564 CA ILE A1914 20.702 21.012 -7.904 1.00 16.80 C ATOM 565 C ILE A1914 21.211 22.386 -8.382 1.00 15.97 C ATOM 566 O ILE A1914 20.492 23.136 -9.015 1.00 16.97 O ATOM 567 CB ILE A1914 20.327 21.065 -6.403 1.00 14.48 C ATOM 568 CG1 ILE A1914 19.652 19.783 -5.972 1.00 16.18 C ATOM 569 CG2 ILE A1914 19.359 22.242 -6.150 1.00 16.66 C ATOM 570 CD1 ILE A1914 19.388 19.719 -4.496 1.00 17.08 C ATOM 571 H ILE A1914 22.105 19.434 -7.368 1.00 0.00 H ATOM 572 N ARG A1915 22.480 22.712 -8.114 1.00 15.88 N ATOM 573 CA ARG A1915 23.051 23.956 -8.552 1.00 16.55 C ATOM 574 C ARG A1915 23.016 24.045 -10.067 1.00 21.10 C ATOM 575 O ARG A1915 22.702 25.104 -10.597 1.00 18.76 O ATOM 576 CB ARG A1915 24.513 24.120 -8.071 1.00 17.69 C ATOM 577 CG ARG A1915 25.240 25.323 -8.590 1.00 20.23 C ATOM 578 CD ARG A1915 24.627 26.641 -8.172 1.00 21.46 C ATOM 579 NE ARG A1915 24.767 26.886 -6.702 1.00 19.63 N ATOM 580 CZ ARG A1915 24.246 27.964 -6.103 1.00 24.19 C ATOM 581 NH1 ARG A1915 23.564 28.838 -6.802 1.00 22.82 N ATOM 582 NH2 ARG A1915 24.397 28.166 -4.802 1.00 23.54 N ATOM 583 HE ARG A1915 25.287 26.194 -6.126 1.00 0.00 H ATOM 584 HH12 ARG A1915 23.160 29.675 -6.336 1.00 0.00 H ATOM 585 HH11 ARG A1915 23.427 28.694 -7.823 1.00 0.00 H ATOM 586 HH22 ARG A1915 23.985 29.010 -4.355 1.00 0.00 H ATOM 587 HH21 ARG A1915 24.928 27.481 -4.228 1.00 0.00 H ATOM 588 H ARG A1915 23.070 22.047 -7.574 1.00 0.00 H ATOM 589 N GLU A1916 23.430 22.980 -10.744 1.00 17.53 N ATOM 590 CA GLU A1916 23.419 22.963 -12.209 1.00 19.61 C ATOM 591 C GLU A1916 22.000 23.163 -12.759 1.00 17.13 C ATOM 592 O GLU A1916 21.816 23.967 -13.695 1.00 20.77 O ATOM 593 CB GLU A1916 24.022 21.670 -12.742 1.00 20.55 C ATOM 594 CG GLU A1916 24.059 21.618 -14.266 1.00 25.71 C ATOM 595 CD GLU A1916 24.964 22.651 -14.889 1.00 39.31 C ATOM 596 OE1 GLU A1916 26.071 22.854 -14.336 1.00 33.52 O ATOM 597 OE2 GLU A1916 24.590 23.242 -15.957 1.00 39.25 O ATOM 598 H GLU A1916 23.768 22.144 -10.226 1.00 0.00 H ATOM 599 N LYS A1917 21.027 22.482 -12.186 1.00 18.98 N ATOM 600 CA LYS A1917 19.636 22.636 -12.553 1.00 19.52 C ATOM 601 C LYS A1917 19.086 24.024 -12.326 1.00 16.74 C ATOM 602 O LYS A1917 18.430 24.584 -13.205 1.00 19.52 O ATOM 603 CB LYS A1917 18.781 21.595 -11.856 1.00 19.89 C ATOM 604 CG LYS A1917 19.017 20.197 -12.406 1.00 19.87 C ATOM 605 CD LYS A1917 18.265 19.122 -11.652 1.00 18.27 C ATOM 606 CE LYS A1917 16.774 19.231 -11.825 1.00 22.14 C ATOM 607 NZ LYS A1917 16.083 17.998 -11.349 1.00 21.22 N ATOM 608 HZ1 LYS A1917 16.422 17.180 -11.895 1.00 0.00 H ATOM 609 HZ2 LYS A1917 16.290 17.853 -10.340 1.00 0.00 H ATOM 610 HZ3 LYS A1917 15.057 18.104 -11.481 1.00 0.00 H ATOM 611 H LYS A1917 21.270 21.804 -11.436 1.00 0.00 H ATOM 612 N LEU A1918 19.431 24.615 -11.192 1.00 16.58 N ATOM 613 CA LEU A1918 19.016 25.963 -10.899 1.00 18.64 C ATOM 614 C LEU A1918 19.639 26.983 -11.841 1.00 23.68 C ATOM 615 O LEU A1918 18.993 27.902 -12.244 1.00 23.09 O ATOM 616 CB LEU A1918 19.352 26.269 -9.442 1.00 19.65 C ATOM 617 CG LEU A1918 18.784 27.566 -8.839 1.00 21.49 C ATOM 618 CD1 LEU A1918 17.281 27.492 -8.835 1.00 21.04 C ATOM 619 CD2 LEU A1918 19.331 27.766 -7.443 1.00 24.70 C ATOM 620 H LEU A1918 20.011 24.097 -10.502 1.00 0.00 H ATOM 621 N SER A1919 20.896 26.829 -12.187 1.00 19.53 N ATOM 622 CA SER A1919 21.593 27.699 -13.129 1.00 20.52 C ATOM 623 C SER A1919 21.146 27.602 -14.589 1.00 19.96 C ATOM 624 O SER A1919 21.470 28.453 -15.362 1.00 24.25 O ATOM 625 CB SER A1919 23.105 27.377 -13.066 1.00 24.68 C ATOM 626 OG SER A1919 23.627 27.822 -11.836 1.00 24.60 O ATOM 627 HG SER A1919 24.594 27.616 -11.796 1.00 0.00 H ATOM 628 H SER A1919 21.427 26.040 -11.765 1.00 0.00 H ATOM 629 N SER A1920 20.430 26.535 -14.943 1.00 20.17 N ATOM 630 CA SER A1920 20.106 26.250 -16.339 1.00 21.66 C ATOM 631 C SER A1920 18.602 26.213 -16.583 1.00 21.86 C ATOM 632 O SER A1920 18.152 25.681 -17.580 1.00 22.75 O ATOM 633 CB SER A1920 20.730 24.917 -16.731 1.00 23.28 C ATOM 634 OG SER A1920 20.233 23.888 -15.931 1.00 20.56 O ATOM 635 HG SER A1920 20.447 24.076 -14.983 1.00 0.00 H ATOM 636 H SER A1920 20.092 25.886 -14.204 1.00 0.00 H ATOM 637 N GLY A1921 17.827 26.752 -15.637 1.00 22.94 N ATOM 638 CA GLY A1921 16.387 26.888 -15.847 1.00 23.98 C ATOM 639 C GLY A1921 15.622 25.609 -15.840 1.00 19.58 C ATOM 640 O GLY A1921 14.551 25.516 -16.445 1.00 24.05 O ATOM 641 H GLY A1921 18.252 27.077 -14.745 1.00 0.00 H ATOM 642 N GLN A1922 16.139 24.624 -15.115 1.00 19.28 N ATOM 643 CA GLN A1922 15.474 23.336 -15.053 1.00 20.03 C ATOM 644 C GLN A1922 14.512 23.174 -13.896 1.00 21.91 C ATOM 645 O GLN A1922 13.894 22.114 -13.807 1.00 23.06 O ATOM 646 CB GLN A1922 16.533 22.229 -15.034 1.00 21.53 C ATOM 647 CG GLN A1922 17.287 22.130 -16.336 1.00 26.86 C ATOM 648 CD GLN A1922 18.229 20.932 -16.339 1.00 28.56 C ATOM 649 OE1 GLN A1922 17.784 19.797 -16.239 1.00 27.92 O ATOM 650 NE2 GLN A1922 19.522 21.195 -16.365 1.00 25.82 N ATOM 651 HE22 GLN A1922 19.851 22.178 -16.451 1.00 0.00 H ATOM 652 HE21 GLN A1922 20.212 20.420 -16.299 1.00 0.00 H ATOM 653 H GLN A1922 17.024 24.776 -14.590 1.00 0.00 H ATOM 654 N TYR A1923 14.364 24.190 -13.032 1.00 21.26 N ATOM 655 CA TYR A1923 13.255 24.214 -12.033 1.00 19.50 C ATOM 656 C TYR A1923 12.139 25.148 -12.495 1.00 18.11 C ATOM 657 O TYR A1923 12.314 26.355 -12.551 1.00 19.47 O ATOM 658 CB TYR A1923 13.702 24.606 -10.601 1.00 18.69 C ATOM 659 CG TYR A1923 14.672 23.598 -10.027 1.00 18.03 C ATOM 660 CD1 TYR A1923 14.273 22.301 -9.728 1.00 19.93 C ATOM 661 CD2 TYR A1923 15.975 23.934 -9.796 1.00 16.67 C ATOM 662 CE1 TYR A1923 15.145 21.365 -9.212 1.00 19.74 C ATOM 663 CE2 TYR A1923 16.885 22.996 -9.302 1.00 16.27 C ATOM 664 CZ TYR A1923 16.446 21.706 -8.995 1.00 16.63 C ATOM 665 OH TYR A1923 17.346 20.720 -8.529 1.00 19.07 O ATOM 666 HH TYR A1923 16.854 19.876 -8.367 1.00 0.00 H ATOM 667 H TYR A1923 15.039 24.981 -13.059 1.00 0.00 H ATOM 668 N PRO A1924 10.968 24.578 -12.749 1.00 19.50 N ATOM 669 CA PRO A1924 9.886 25.425 -13.128 1.00 20.29 C ATOM 670 C PRO A1924 9.437 26.417 -12.090 1.00 23.99 C ATOM 671 O PRO A1924 8.901 27.508 -12.457 1.00 25.30 O ATOM 672 CB PRO A1924 8.729 24.450 -13.438 1.00 28.91 C ATOM 673 CG PRO A1924 9.360 23.125 -13.629 1.00 36.46 C ATOM 674 CD PRO A1924 10.679 23.137 -12.940 1.00 26.30 C ATOM 675 N ASN A1925 9.533 26.006 -10.837 1.00 20.73 N ATOM 676 CA ASN A1925 9.047 26.792 -9.713 1.00 22.16 C ATOM 677 C ASN A1925 9.813 26.395 -8.440 1.00 21.54 C ATOM 678 O ASN A1925 10.587 25.432 -8.393 1.00 20.71 O ATOM 679 CB ASN A1925 7.549 26.631 -9.553 1.00 23.19 C ATOM 680 CG ASN A1925 7.171 25.213 -9.319 1.00 22.67 C ATOM 681 OD1 ASN A1925 7.667 24.598 -8.363 1.00 23.75 O ATOM 682 ND2 ASN A1925 6.330 24.661 -10.181 1.00 25.98 N ATOM 683 HD22 ASN A1925 5.944 25.225 -10.965 1.00 0.00 H ATOM 684 HD21 ASN A1925 6.055 23.664 -10.074 1.00 0.00 H ATOM 685 H ASN A1925 9.974 25.083 -10.647 1.00 0.00 H ATOM 686 N LEU A1926 9.623 27.192 -7.402 1.00 20.81 N ATOM 687 CA LEU A1926 10.335 26.987 -6.180 1.00 20.85 C ATOM 688 C LEU A1926 10.012 25.623 -5.543 1.00 19.42 C ATOM 689 O LEU A1926 10.862 25.075 -4.866 1.00 19.00 O ATOM 690 CB LEU A1926 10.117 28.170 -5.194 1.00 22.21 C ATOM 691 CG LEU A1926 8.836 28.137 -4.374 1.00 21.26 C ATOM 692 CD1 LEU A1926 8.891 29.218 -3.260 1.00 25.70 C ATOM 693 CD2 LEU A1926 7.634 28.372 -5.237 1.00 24.21 C ATOM 694 H LEU A1926 8.946 27.978 -7.476 1.00 0.00 H ATOM 695 N GLU A1927 8.804 25.089 -5.736 1.00 20.42 N ATOM 696 CA GLU A1927 8.463 23.815 -5.139 1.00 20.26 C ATOM 697 C GLU A1927 9.286 22.664 -5.742 1.00 20.67 C ATOM 698 O GLU A1927 9.687 21.770 -5.021 1.00 18.67 O ATOM 699 CB GLU A1927 6.999 23.531 -5.226 1.00 22.56 C ATOM 700 CG GLU A1927 6.121 24.568 -4.532 1.00 30.75 C ATOM 701 CD GLU A1927 6.437 24.693 -3.033 1.00 38.96 C ATOM 702 OE1 GLU A1927 7.052 23.776 -2.443 1.00 36.44 O ATOM 703 OE2 GLU A1927 6.040 25.701 -2.439 1.00 42.79 O ATOM 704 H GLU A1927 8.104 25.591 -6.319 1.00 0.00 H ATOM 705 N THR A1928 9.543 22.716 -7.051 1.00 21.65 N ATOM 706 CA THR A1928 10.361 21.682 -7.684 1.00 19.55 C ATOM 707 C THR A1928 11.790 21.724 -7.136 1.00 18.01 C ATOM 708 O THR A1928 12.448 20.676 -7.033 1.00 17.67 O ATOM 709 CB THR A1928 10.342 21.797 -9.229 1.00 21.00 C ATOM 710 OG1 THR A1928 10.856 23.070 -9.631 1.00 20.61 O ATOM 711 CG2 THR A1928 8.940 21.610 -9.781 1.00 24.88 C ATOM 712 HG1 THR A1928 10.296 23.788 -9.243 1.00 0.00 H ATOM 713 H THR A1928 9.160 23.495 -7.623 1.00 0.00 H ATOM 714 N PHE A1929 12.273 22.913 -6.801 1.00 16.59 N ATOM 715 CA PHE A1929 13.592 23.039 -6.166 1.00 16.92 C ATOM 716 C PHE A1929 13.572 22.379 -4.789 1.00 15.15 C ATOM 717 O PHE A1929 14.407 21.537 -4.488 1.00 17.15 O ATOM 718 CB PHE A1929 13.968 24.504 -6.062 1.00 18.10 C ATOM 719 CG PHE A1929 15.118 24.771 -5.190 1.00 15.69 C ATOM 720 CD1 PHE A1929 16.428 24.663 -5.669 1.00 17.29 C ATOM 721 CD2 PHE A1929 14.933 25.222 -3.891 1.00 15.86 C ATOM 722 CE1 PHE A1929 17.498 24.942 -4.852 1.00 16.24 C ATOM 723 CE2 PHE A1929 15.999 25.509 -3.095 1.00 16.08 C ATOM 724 CZ PHE A1929 17.300 25.334 -3.559 1.00 18.03 C ATOM 725 H PHE A1929 11.711 23.767 -6.990 1.00 0.00 H ATOM 726 N ALA A1930 12.547 22.682 -3.982 1.00 16.37 N ATOM 727 CA ALA A1930 12.490 22.107 -2.638 1.00 17.06 C ATOM 728 C ALA A1930 12.395 20.586 -2.714 1.00 17.40 C ATOM 729 O ALA A1930 12.918 19.874 -1.833 1.00 17.95 O ATOM 730 CB ALA A1930 11.342 22.656 -1.845 1.00 20.07 C ATOM 731 H ALA A1930 11.796 23.323 -4.309 1.00 0.00 H ATOM 732 N LEU A1931 11.643 20.066 -3.702 1.00 19.07 N ATOM 733 CA LEU A1931 11.517 18.605 -3.846 1.00 17.28 C ATOM 734 C LEU A1931 12.910 17.976 -4.024 1.00 18.24 C ATOM 735 O LEU A1931 13.165 16.912 -3.456 1.00 18.72 O ATOM 736 CB LEU A1931 10.643 18.225 -5.023 1.00 18.35 C ATOM 737 CG LEU A1931 9.153 18.461 -4.755 1.00 26.92 C ATOM 738 CD1 LEU A1931 8.403 18.282 -6.049 1.00 29.98 C ATOM 739 CD2 LEU A1931 8.632 17.487 -3.724 1.00 33.17 C ATOM 740 H LEU A1931 11.150 20.697 -4.365 1.00 0.00 H ATOM 741 N ASP A1932 13.740 18.582 -4.855 1.00 17.40 N ATOM 742 CA ASP A1932 15.108 18.032 -5.097 1.00 15.81 C ATOM 743 C ASP A1932 15.980 18.158 -3.867 1.00 14.98 C ATOM 744 O ASP A1932 16.706 17.233 -3.515 1.00 15.26 O ATOM 745 CB ASP A1932 15.782 18.710 -6.271 1.00 17.15 C ATOM 746 CG ASP A1932 15.703 17.908 -7.567 1.00 18.48 C ATOM 747 OD1 ASP A1932 15.119 16.733 -7.631 1.00 21.94 O ATOM 748 OD2 ASP A1932 16.226 18.445 -8.596 1.00 19.36 O ATOM 749 H ASP A1932 13.439 19.449 -5.344 1.00 0.00 H ATOM 750 N VAL A1933 15.869 19.259 -3.128 1.00 16.07 N ATOM 751 CA VAL A1933 16.620 19.358 -1.864 1.00 16.86 C ATOM 752 C VAL A1933 16.195 18.260 -0.869 1.00 16.11 C ATOM 753 O VAL A1933 17.019 17.560 -0.290 1.00 16.85 O ATOM 754 CB VAL A1933 16.468 20.731 -1.220 1.00 15.03 C ATOM 755 CG1 VAL A1933 17.105 20.753 0.145 1.00 17.46 C ATOM 756 CG2 VAL A1933 17.026 21.820 -2.107 1.00 18.03 C ATOM 757 H VAL A1933 15.259 20.041 -3.439 1.00 0.00 H ATOM 758 N ARG A1934 14.890 18.068 -0.731 1.00 14.21 N ATOM 759 CA ARG A1934 14.400 17.091 0.195 1.00 16.17 C ATOM 760 C ARG A1934 14.795 15.681 -0.258 1.00 17.26 C ATOM 761 O ARG A1934 15.040 14.815 0.575 1.00 16.88 O ATOM 762 CB ARG A1934 12.885 17.237 0.320 1.00 19.07 C ATOM 763 CG ARG A1934 12.528 18.496 1.088 1.00 18.34 C ATOM 764 CD ARG A1934 11.052 18.776 1.035 1.00 19.89 C ATOM 765 NE ARG A1934 10.820 20.005 1.767 1.00 22.20 N ATOM 766 CZ ARG A1934 9.924 20.949 1.455 1.00 24.60 C ATOM 767 NH1 ARG A1934 9.106 20.801 0.423 1.00 25.18 N ATOM 768 NH2 ARG A1934 9.863 22.071 2.191 1.00 24.98 N ATOM 769 HE ARG A1934 11.403 20.168 2.612 1.00 0.00 H ATOM 770 HH12 ARG A1934 8.416 21.545 0.195 1.00 0.00 H ATOM 771 HH11 ARG A1934 9.154 19.941 -0.159 1.00 0.00 H ATOM 772 HH22 ARG A1934 9.170 22.810 1.956 1.00 0.00 H ATOM 773 HH21 ARG A1934 10.509 22.201 2.996 1.00 0.00 H ATOM 774 H ARG A1934 14.221 18.628 -1.297 1.00 0.00 H ATOM 775 N LEU A1935 14.841 15.453 -1.571 1.00 16.94 N ATOM 776 CA LEU A1935 15.249 14.151 -2.143 1.00 15.83 C ATOM 777 C LEU A1935 16.668 13.816 -1.686 1.00 13.60 C ATOM 778 O LEU A1935 16.939 12.671 -1.365 1.00 16.77 O ATOM 779 CB LEU A1935 15.193 14.223 -3.660 1.00 16.96 C ATOM 780 CG LEU A1935 15.601 12.977 -4.462 1.00 18.47 C ATOM 781 CD1 LEU A1935 14.845 11.696 -4.073 1.00 20.92 C ATOM 782 CD2 LEU A1935 15.442 13.303 -5.942 1.00 18.27 C ATOM 783 H LEU A1935 14.579 16.222 -2.220 1.00 0.00 H ATOM 784 N VAL A1936 17.550 14.803 -1.643 1.00 14.96 N ATOM 785 CA VAL A1936 18.896 14.565 -1.108 1.00 15.18 C ATOM 786 C VAL A1936 18.804 13.923 0.290 1.00 16.05 C ATOM 787 O VAL A1936 19.440 12.885 0.586 1.00 15.38 O ATOM 788 CB VAL A1936 19.755 15.869 -1.005 1.00 13.92 C ATOM 789 CG1 VAL A1936 21.143 15.566 -0.408 1.00 15.37 C ATOM 790 CG2 VAL A1936 19.920 16.497 -2.376 1.00 16.72 C ATOM 791 H VAL A1936 17.289 15.748 -1.989 1.00 0.00 H ATOM 792 N PHE A1937 18.060 14.543 1.177 1.00 16.32 N ATOM 793 CA PHE A1937 17.935 14.061 2.524 1.00 15.59 C ATOM 794 C PHE A1937 17.137 12.780 2.682 1.00 15.97 C ATOM 795 O PHE A1937 17.494 11.937 3.539 1.00 18.98 O ATOM 796 CB PHE A1937 17.474 15.187 3.446 1.00 15.55 C ATOM 797 CG PHE A1937 18.271 16.454 3.261 1.00 16.78 C ATOM 798 CD1 PHE A1937 19.665 16.389 3.239 1.00 16.70 C ATOM 799 CD2 PHE A1937 17.636 17.678 3.094 1.00 19.16 C ATOM 800 CE1 PHE A1937 20.421 17.531 3.005 1.00 21.00 C ATOM 801 CE2 PHE A1937 18.408 18.848 2.918 1.00 18.92 C ATOM 802 CZ PHE A1937 19.779 18.749 2.840 1.00 20.32 C ATOM 803 H PHE A1937 17.549 15.404 0.897 1.00 0.00 H ATOM 804 N ASP A1938 16.096 12.606 1.857 1.00 17.33 N ATOM 805 CA ASP A1938 15.355 11.368 1.884 1.00 18.81 C ATOM 806 C ASP A1938 16.248 10.207 1.417 1.00 19.62 C ATOM 807 O ASP A1938 16.233 9.125 2.018 1.00 20.96 O ATOM 808 CB ASP A1938 14.110 11.482 1.038 1.00 19.54 C ATOM 809 CG ASP A1938 13.073 12.434 1.629 1.00 22.38 C ATOM 810 OD1 ASP A1938 13.149 12.803 2.825 1.00 22.04 O ATOM 811 OD2 ASP A1938 12.137 12.735 0.892 1.00 24.86 O ATOM 812 H ASP A1938 15.822 13.362 1.198 1.00 0.00 H ATOM 813 N ASN A1939 17.034 10.429 0.375 1.00 19.52 N ATOM 814 CA ASN A1939 17.999 9.378 -0.047 1.00 18.63 C ATOM 815 C ASN A1939 18.960 9.020 1.078 1.00 18.45 C ATOM 816 O ASN A1939 19.254 7.838 1.310 1.00 18.46 O ATOM 817 CB ASN A1939 18.775 9.797 -1.273 1.00 18.51 C ATOM 818 CG ASN A1939 17.919 9.842 -2.530 1.00 18.12 C ATOM 819 OD1 ASN A1939 16.808 9.276 -2.604 1.00 20.23 O ATOM 820 ND2 ASN A1939 18.442 10.521 -3.532 1.00 18.43 N ATOM 821 HD22 ASN A1939 19.371 10.976 -3.423 1.00 0.00 H ATOM 822 HD21 ASN A1939 17.925 10.602 -4.431 1.00 0.00 H ATOM 823 H ASN A1939 16.978 11.329 -0.143 1.00 0.00 H ATOM 824 N CYS A1940 19.472 10.044 1.774 1.00 18.02 N ATOM 825 CA CYS A1940 20.418 9.869 2.808 1.00 18.67 C ATOM 826 C CYS A1940 19.887 9.013 3.943 1.00 18.66 C ATOM 827 O CYS A1940 20.553 8.071 4.398 1.00 20.24 O ATOM 828 CB CYS A1940 20.884 11.245 3.340 1.00 16.48 C ATOM 829 SG CYS A1940 22.166 11.188 4.565 1.00 18.35 S ATOM 830 H CYS A1940 19.160 11.009 1.543 1.00 0.00 H ATOM 831 N GLU A1941 18.645 9.274 4.342 1.00 19.17 N ATOM 832 CA GLU A1941 17.997 8.476 5.379 1.00 21.01 C ATOM 833 C GLU A1941 17.742 7.033 4.915 1.00 21.28 C ATOM 834 O GLU A1941 17.866 6.089 5.700 1.00 26.29 O ATOM 835 CB GLU A1941 16.658 9.089 5.767 1.00 27.02 C ATOM 836 CG GLU A1941 16.743 10.326 6.574 1.00 33.15 C ATOM 837 CD GLU A1941 15.452 10.563 7.370 1.00 31.34 C ATOM 838 OE1 GLU A1941 15.099 11.721 7.430 1.00 32.70 O ATOM 839 OE2 GLU A1941 14.854 9.615 7.962 1.00 39.22 O ATOM 840 H GLU A1941 18.125 10.062 3.906 1.00 0.00 H ATOM 841 N THR A1942 17.397 6.848 3.647 1.00 18.08 N ATOM 842 CA THR A1942 17.178 5.470 3.129 1.00 19.98 C ATOM 843 C THR A1942 18.456 4.610 3.192 1.00 23.15 C ATOM 844 O THR A1942 18.407 3.420 3.517 1.00 24.36 O ATOM 845 CB THR A1942 16.692 5.496 1.675 1.00 25.27 C ATOM 846 OG1 THR A1942 15.406 6.115 1.629 1.00 27.28 O ATOM 847 CG2 THR A1942 16.536 4.101 1.119 1.00 26.85 C ATOM 848 HG1 THR A1942 15.084 6.136 0.693 1.00 0.00 H ATOM 849 H THR A1942 17.280 7.666 3.015 1.00 0.00 H ATOM 850 N PHE A1943 19.579 5.215 2.864 1.00 20.34 N ATOM 851 CA PHE A1943 20.809 4.456 2.691 1.00 22.00 C ATOM 852 C PHE A1943 21.691 4.401 3.920 1.00 22.70 C ATOM 853 O PHE A1943 22.459 3.478 4.078 1.00 27.42 O ATOM 854 CB PHE A1943 21.612 5.020 1.505 1.00 19.97 C ATOM 855 CG PHE A1943 22.557 4.022 0.915 1.00 17.07 C ATOM 856 CD1 PHE A1943 22.097 3.046 0.066 1.00 20.99 C ATOM 857 CD2 PHE A1943 23.898 4.038 1.220 1.00 20.68 C ATOM 858 CE1 PHE A1943 22.944 2.093 -0.453 1.00 20.87 C ATOM 859 CE2 PHE A1943 24.767 3.082 0.703 1.00 21.82 C ATOM 860 CZ PHE A1943 24.285 2.105 -0.133 1.00 19.54 C ATOM 861 H PHE A1943 19.587 6.246 2.727 1.00 0.00 H ATOM 862 N ASN A1944 21.564 5.383 4.805 1.00 19.14 N ATOM 863 CA ASN A1944 22.511 5.544 5.902 1.00 20.19 C ATOM 864 C ASN A1944 21.864 5.421 7.277 1.00 22.20 C ATOM 865 O ASN A1944 20.705 5.879 7.483 1.00 23.87 O ATOM 866 CB ASN A1944 23.210 6.892 5.853 1.00 20.69 C ATOM 867 CG ASN A1944 23.992 7.085 4.550 1.00 21.66 C ATOM 868 OD1 ASN A1944 25.082 6.510 4.361 1.00 24.27 O ATOM 869 ND2 ASN A1944 23.411 7.788 3.646 1.00 18.15 N ATOM 870 HD22 ASN A1944 22.502 8.249 3.851 1.00 0.00 H ATOM 871 HD21 ASN A1944 23.850 7.896 2.709 1.00 0.00 H ATOM 872 H ASN A1944 20.772 6.051 4.714 1.00 0.00 H ATOM 873 N GLU A1945 22.577 4.767 8.174 1.00 25.98 N ATOM 874 CA GLU A1945 22.113 4.659 9.563 1.00 29.68 C ATOM 875 C GLU A1945 22.014 6.079 10.139 1.00 23.02 C ATOM 876 O GLU A1945 22.848 6.924 9.860 1.00 26.24 O ATOM 877 CB GLU A1945 23.061 3.805 10.399 1.00 29.23 C ATOM 878 CG GLU A1945 22.946 2.307 10.164 1.00 39.59 C ATOM 879 CD GLU A1945 21.626 1.745 10.658 1.00 47.53 C ATOM 880 OE1 GLU A1945 20.921 2.447 11.411 1.00 69.24 O ATOM 881 OE2 GLU A1945 21.293 0.605 10.296 1.00 60.58 O ATOM 882 H GLU A1945 23.476 4.324 7.895 1.00 0.00 H ATOM 883 N ASP A1946 20.967 6.339 10.924 1.00 30.11 N ATOM 884 CA ASP A1946 20.821 7.640 11.624 1.00 28.05 C ATOM 885 C ASP A1946 22.061 7.883 12.486 1.00 33.32 C ATOM 886 O ASP A1946 22.529 9.013 12.558 1.00 40.17 O ATOM 887 CB ASP A1946 19.581 7.640 12.526 1.00 30.94 C ATOM 888 CG ASP A1946 18.257 7.648 11.735 1.00 30.37 C ATOM 889 OD1 ASP A1946 18.217 8.003 10.530 1.00 31.46 O ATOM 890 OD2 ASP A1946 17.241 7.294 12.356 1.00 36.30 O ATOM 891 H ASP A1946 20.234 5.612 11.049 1.00 0.00 H ATOM 892 N ASP A1947 22.558 6.796 13.091 1.00 35.34 N ATOM 893 CA ASP A1947 23.828 6.708 13.865 1.00 49.15 C ATOM 894 C ASP A1947 25.021 6.379 12.966 1.00 63.17 C ATOM 895 O ASP A1947 25.658 5.300 13.079 1.00 53.74 O ATOM 896 CB ASP A1947 23.733 5.620 14.974 1.00 45.19 C ATOM 897 CG ASP A1947 25.004 5.538 15.867 1.00 73.94 C ATOM 898 OD1 ASP A1947 25.817 6.494 15.885 1.00 54.78 O ATOM 899 OD2 ASP A1947 25.193 4.502 16.559 1.00 58.56 O ATOM 900 H ASP A1947 21.999 5.923 13.012 1.00 0.00 H ATOM 901 N SER A1948 25.276 7.292 12.046 1.00 29.41 N ATOM 902 CA SER A1948 26.492 7.337 11.254 1.00 26.29 C ATOM 903 C SER A1948 26.788 8.826 11.039 1.00 26.11 C ATOM 904 O SER A1948 25.895 9.689 11.129 1.00 24.45 O ATOM 905 CB SER A1948 26.282 6.647 9.891 1.00 25.49 C ATOM 906 OG SER A1948 25.355 7.326 9.065 1.00 23.12 O ATOM 907 HG SER A1948 24.477 7.367 9.521 1.00 0.00 H ATOM 908 H SER A1948 24.559 8.026 11.878 1.00 0.00 H ATOM 909 N ASP A1949 28.030 9.147 10.722 1.00 25.57 N ATOM 910 CA ASP A1949 28.346 10.545 10.384 1.00 24.03 C ATOM 911 C ASP A1949 27.532 11.122 9.244 1.00 22.03 C ATOM 912 O ASP A1949 27.007 12.247 9.351 1.00 21.94 O ATOM 913 CB ASP A1949 29.848 10.703 10.164 1.00 24.83 C ATOM 914 CG ASP A1949 30.628 10.385 11.390 1.00 32.40 C ATOM 915 OD1 ASP A1949 30.506 11.100 12.414 1.00 31.79 O ATOM 916 OD2 ASP A1949 31.379 9.395 11.369 1.00 32.57 O ATOM 917 H ASP A1949 28.775 8.421 10.711 1.00 0.00 H ATOM 918 N ILE A1950 27.350 10.354 8.156 1.00 20.32 N ATOM 919 CA ILE A1950 26.587 10.837 7.041 1.00 19.36 C ATOM 920 C ILE A1950 25.113 10.962 7.430 1.00 19.73 C ATOM 921 O ILE A1950 24.483 11.948 7.059 1.00 17.90 O ATOM 922 CB ILE A1950 26.757 9.901 5.826 1.00 19.90 C ATOM 923 CG1 ILE A1950 28.235 10.043 5.311 1.00 20.09 C ATOM 924 CG2 ILE A1950 25.785 10.220 4.754 1.00 20.25 C ATOM 925 CD1 ILE A1950 28.583 9.031 4.243 1.00 25.75 C ATOM 926 H ILE A1950 27.766 9.401 8.122 1.00 0.00 H ATOM 927 N GLY A1951 24.599 9.983 8.189 1.00 20.59 N ATOM 928 CA GLY A1951 23.188 9.985 8.599 1.00 20.56 C ATOM 929 C GLY A1951 22.892 11.223 9.492 1.00 19.82 C ATOM 930 O GLY A1951 21.940 11.933 9.232 1.00 20.72 O ATOM 931 H GLY A1951 25.215 9.203 8.495 1.00 0.00 H ATOM 932 N ARG A1952 23.772 11.486 10.439 1.00 23.07 N ATOM 933 CA ARG A1952 23.712 12.689 11.305 1.00 24.29 C ATOM 934 C ARG A1952 23.785 13.995 10.465 1.00 22.45 C ATOM 935 O ARG A1952 23.015 14.941 10.661 1.00 22.90 O ATOM 936 CB ARG A1952 24.855 12.644 12.333 1.00 30.08 C ATOM 937 CG ARG A1952 24.473 12.331 13.770 1.00 58.98 C ATOM 938 CD ARG A1952 25.682 12.009 14.667 1.00 52.11 C ATOM 939 NE ARG A1952 25.842 10.563 14.775 1.00 68.05 N ATOM 940 CZ ARG A1952 26.948 9.873 14.519 1.00 51.47 C ATOM 941 NH1 ARG A1952 26.913 8.552 14.612 1.00 79.27 N ATOM 942 NH2 ARG A1952 28.075 10.472 14.147 1.00 81.10 N ATOM 943 HE ARG A1952 25.010 10.020 15.082 1.00 0.00 H ATOM 944 HH12 ARG A1952 27.768 7.994 14.416 1.00 0.00 H ATOM 945 HH11 ARG A1952 26.030 8.073 14.881 1.00 0.00 H ATOM 946 HH22 ARG A1952 28.925 9.906 13.953 1.00 0.00 H ATOM 947 HH21 ARG A1952 28.106 11.507 14.050 1.00 0.00 H ATOM 948 H ARG A1952 24.551 10.813 10.587 1.00 0.00 H ATOM 949 N ALA A1953 24.717 14.040 9.511 1.00 20.51 N ATOM 950 CA ALA A1953 24.840 15.196 8.622 1.00 21.57 C ATOM 951 C ALA A1953 23.557 15.490 7.887 1.00 18.66 C ATOM 952 O ALA A1953 23.125 16.651 7.796 1.00 18.94 O ATOM 953 CB ALA A1953 26.004 15.008 7.660 1.00 21.23 C ATOM 954 H ALA A1953 25.369 13.238 9.397 1.00 0.00 H ATOM 955 N GLY A1954 22.932 14.435 7.328 1.00 17.45 N ATOM 956 CA GLY A1954 21.691 14.570 6.633 1.00 17.67 C ATOM 957 C GLY A1954 20.555 15.133 7.486 1.00 19.43 C ATOM 958 O GLY A1954 19.834 16.048 7.049 1.00 18.10 O ATOM 959 H GLY A1954 23.367 13.493 7.405 1.00 0.00 H ATOM 960 N HIS A1955 20.385 14.611 8.692 1.00 18.94 N ATOM 961 CA HIS A1955 19.395 15.162 9.601 1.00 19.84 C ATOM 962 C HIS A1955 19.656 16.630 9.884 1.00 18.80 C ATOM 963 O HIS A1955 18.730 17.427 9.896 1.00 21.40 O ATOM 964 CB HIS A1955 19.317 14.335 10.872 1.00 23.27 C ATOM 965 CG HIS A1955 18.619 13.032 10.686 1.00 27.16 C ATOM 966 ND1 HIS A1955 17.258 12.945 10.470 1.00 31.06 N ATOM 967 CD2 HIS A1955 19.077 11.761 10.698 1.00 28.87 C ATOM 968 CE1 HIS A1955 16.915 11.678 10.349 1.00 33.87 C ATOM 969 NE2 HIS A1955 17.997 10.938 10.504 1.00 29.44 N ATOM 970 H HIS A1955 20.965 13.801 8.990 1.00 0.00 H ATOM 971 N ASN A1956 20.911 16.995 10.129 1.00 17.52 N ATOM 972 CA ASN A1956 21.278 18.381 10.413 1.00 17.43 C ATOM 973 C ASN A1956 21.013 19.301 9.255 1.00 19.78 C ATOM 974 O ASN A1956 20.462 20.418 9.414 1.00 19.36 O ATOM 975 CB ASN A1956 22.750 18.489 10.761 1.00 19.22 C ATOM 976 CG ASN A1956 23.107 17.945 12.149 1.00 23.32 C ATOM 977 OD1 ASN A1956 22.242 17.553 12.940 1.00 26.79 O ATOM 978 ND2 ASN A1956 24.406 17.937 12.468 1.00 25.83 N ATOM 979 HD22 ASN A1956 25.112 18.273 11.782 1.00 0.00 H ATOM 980 HD21 ASN A1956 24.710 17.595 13.402 1.00 0.00 H ATOM 981 H ASN A1956 21.656 16.270 10.118 1.00 0.00 H ATOM 982 N MET A1957 21.374 18.838 8.063 1.00 18.48 N ATOM 983 CA MET A1957 21.166 19.656 6.873 1.00 18.08 C ATOM 984 C MET A1957 19.683 19.813 6.541 1.00 16.98 C ATOM 985 O MET A1957 19.303 20.877 6.090 1.00 17.85 O ATOM 986 CB MET A1957 21.907 19.078 5.694 1.00 17.69 C ATOM 987 CG MET A1957 23.424 19.154 5.818 1.00 18.71 C ATOM 988 SD MET A1957 24.155 20.748 6.106 1.00 25.15 S ATOM 989 CE MET A1957 23.487 21.817 4.808 1.00 24.92 C ATOM 990 H MET A1957 21.804 17.895 7.979 1.00 0.00 H ATOM 991 N ARG A1958 18.897 18.777 6.733 1.00 17.16 N ATOM 992 CA ARG A1958 17.459 18.879 6.504 1.00 16.92 C ATOM 993 C ARG A1958 16.893 19.969 7.426 1.00 19.67 C ATOM 994 O ARG A1958 16.129 20.822 6.943 1.00 18.69 O ATOM 995 CB ARG A1958 16.775 17.596 6.780 1.00 19.69 C ATOM 996 CG ARG A1958 15.289 17.637 6.419 1.00 22.35 C ATOM 997 CD ARG A1958 14.560 16.464 6.928 1.00 23.74 C ATOM 998 NE ARG A1958 14.932 15.159 6.385 1.00 23.96 N ATOM 999 CZ ARG A1958 14.479 14.625 5.257 1.00 22.19 C ATOM 1000 NH1 ARG A1958 13.628 15.270 4.441 1.00 26.78 N ATOM 1001 NH2 ARG A1958 14.839 13.399 4.966 1.00 22.66 N ATOM 1002 HE ARG A1958 15.614 14.597 6.933 1.00 0.00 H ATOM 1003 HH12 ARG A1958 13.299 14.813 3.567 1.00 0.00 H ATOM 1004 HH11 ARG A1958 13.299 16.226 4.684 1.00 0.00 H ATOM 1005 HH22 ARG A1958 14.501 12.952 4.090 1.00 0.00 H ATOM 1006 HH21 ARG A1958 15.462 12.873 5.611 1.00 0.00 H ATOM 1007 H ARG A1958 19.304 17.875 7.052 1.00 0.00 H ATOM 1008 N LYS A1959 17.237 19.906 8.717 1.00 18.81 N ATOM 1009 CA LYS A1959 16.735 20.895 9.713 1.00 20.91 C ATOM 1010 C LYS A1959 17.123 22.310 9.242 1.00 22.11 C ATOM 1011 O LYS A1959 16.306 23.249 9.217 1.00 21.12 O ATOM 1012 CB LYS A1959 17.283 20.618 11.116 1.00 23.87 C ATOM 1013 CG LYS A1959 16.801 21.604 12.178 1.00 36.95 C ATOM 1014 CD LYS A1959 15.429 21.204 12.710 1.00 51.51 C ATOM 1015 CE LYS A1959 14.901 22.205 13.729 1.00 71.54 C ATOM 1016 NZ LYS A1959 13.683 21.692 14.414 1.00103.32 N ATOM 1017 HZ1 LYS A1959 12.939 21.514 13.709 1.00 0.00 H ATOM 1018 HZ2 LYS A1959 13.912 20.806 14.909 1.00 0.00 H ATOM 1019 HZ3 LYS A1959 13.350 22.398 15.101 1.00 0.00 H ATOM 1020 H LYS A1959 17.872 19.146 9.035 1.00 0.00 H ATOM 1021 N TYR A1960 18.387 22.456 8.881 1.00 19.05 N ATOM 1022 CA TYR A1960 18.910 23.713 8.404 1.00 19.38 C ATOM 1023 C TYR A1960 18.151 24.264 7.214 1.00 20.20 C ATOM 1024 O TYR A1960 17.729 25.462 7.178 1.00 21.14 O ATOM 1025 CB TYR A1960 20.406 23.532 8.086 1.00 21.13 C ATOM 1026 CG TYR A1960 21.185 24.771 7.782 1.00 20.98 C ATOM 1027 CD1 TYR A1960 21.523 25.664 8.771 1.00 24.72 C ATOM 1028 CD2 TYR A1960 21.614 25.068 6.467 1.00 21.30 C ATOM 1029 CE1 TYR A1960 22.279 26.775 8.512 1.00 25.15 C ATOM 1030 CE2 TYR A1960 22.401 26.187 6.210 1.00 22.93 C ATOM 1031 CZ TYR A1960 22.685 27.053 7.220 1.00 26.75 C ATOM 1032 OH TYR A1960 23.427 28.162 6.977 1.00 32.63 O ATOM 1033 HH TYR A1960 23.536 28.675 7.817 1.00 0.00 H ATOM 1034 H TYR A1960 19.025 21.637 8.943 1.00 0.00 H ATOM 1035 N PHE A1961 17.943 23.411 6.241 1.00 17.57 N ATOM 1036 CA PHE A1961 17.172 23.763 5.058 1.00 18.88 C ATOM 1037 C PHE A1961 15.755 24.204 5.378 1.00 17.87 C ATOM 1038 O PHE A1961 15.279 25.245 4.877 1.00 17.79 O ATOM 1039 CB PHE A1961 17.051 22.581 4.093 1.00 17.05 C ATOM 1040 CG PHE A1961 16.167 22.867 2.939 1.00 16.33 C ATOM 1041 CD1 PHE A1961 16.452 23.873 2.023 1.00 16.34 C ATOM 1042 CD2 PHE A1961 14.939 22.170 2.808 1.00 17.20 C ATOM 1043 CE1 PHE A1961 15.597 24.127 0.959 1.00 20.35 C ATOM 1044 CE2 PHE A1961 14.099 22.440 1.774 1.00 19.24 C ATOM 1045 CZ PHE A1961 14.397 23.425 0.857 1.00 21.21 C ATOM 1046 H PHE A1961 18.341 22.453 6.317 1.00 0.00 H ATOM 1047 N GLU A1962 15.055 23.395 6.158 1.00 17.79 N ATOM 1048 CA GLU A1962 13.635 23.617 6.342 1.00 20.52 C ATOM 1049 C GLU A1962 13.396 24.959 7.051 1.00 21.96 C ATOM 1050 O GLU A1962 12.410 25.628 6.764 1.00 22.59 O ATOM 1051 CB GLU A1962 12.982 22.467 7.053 1.00 21.80 C ATOM 1052 CG GLU A1962 12.946 21.198 6.217 1.00 21.85 C ATOM 1053 CD GLU A1962 12.162 21.283 4.916 1.00 24.25 C ATOM 1054 OE1 GLU A1962 11.372 22.244 4.700 1.00 25.79 O ATOM 1055 OE2 GLU A1962 12.255 20.305 4.128 1.00 22.82 O ATOM 1056 H GLU A1962 15.524 22.601 6.638 1.00 0.00 H ATOM 1057 N LYS A1963 14.273 25.340 7.988 1.00 23.96 N ATOM 1058 CA LYS A1963 14.128 26.616 8.684 1.00 26.57 C ATOM 1059 C LYS A1963 14.381 27.743 7.701 1.00 22.52 C ATOM 1060 O LYS A1963 13.628 28.704 7.688 1.00 25.65 O ATOM 1061 CB LYS A1963 15.060 26.766 9.882 1.00 30.33 C ATOM 1062 CG LYS A1963 14.910 28.129 10.535 1.00 34.98 C ATOM 1063 CD LYS A1963 16.122 28.558 11.327 1.00 49.62 C ATOM 1064 CE LYS A1963 15.950 29.855 12.113 1.00 45.52 C ATOM 1065 NZ LYS A1963 14.674 30.645 12.120 1.00 43.72 N ATOM 1066 HZ1 LYS A1963 14.446 30.941 11.149 1.00 0.00 H ATOM 1067 HZ2 LYS A1963 13.904 30.054 12.494 1.00 0.00 H ATOM 1068 HZ3 LYS A1963 14.791 31.485 12.721 1.00 0.00 H ATOM 1069 H LYS A1963 15.071 24.717 8.224 1.00 0.00 H ATOM 1070 N LYS A1964 15.413 27.614 6.841 1.00 22.90 N ATOM 1071 CA LYS A1964 15.582 28.627 5.782 1.00 26.17 C ATOM 1072 C LYS A1964 14.387 28.726 4.862 1.00 23.56 C ATOM 1073 O LYS A1964 13.982 29.824 4.467 1.00 25.03 O ATOM 1074 CB LYS A1964 16.846 28.357 4.979 1.00 27.12 C ATOM 1075 CG LYS A1964 18.025 28.713 5.835 1.00 33.67 C ATOM 1076 CD LYS A1964 19.321 28.402 5.189 1.00 36.60 C ATOM 1077 CE LYS A1964 20.456 28.839 6.118 1.00 43.14 C ATOM 1078 NZ LYS A1964 20.284 30.146 6.784 1.00 44.87 N ATOM 1079 HZ1 LYS A1964 20.197 30.892 6.064 1.00 0.00 H ATOM 1080 HZ2 LYS A1964 19.424 30.125 7.369 1.00 0.00 H ATOM 1081 HZ3 LYS A1964 21.110 30.338 7.386 1.00 0.00 H ATOM 1082 H LYS A1964 16.076 26.817 6.923 1.00 0.00 H ATOM 1083 N TRP A1965 13.835 27.581 4.493 1.00 21.90 N ATOM 1084 CA TRP A1965 12.690 27.522 3.603 1.00 23.45 C ATOM 1085 C TRP A1965 11.486 28.268 4.208 1.00 24.71 C ATOM 1086 O TRP A1965 10.888 29.127 3.583 1.00 24.41 O ATOM 1087 CB TRP A1965 12.311 26.068 3.295 1.00 24.65 C ATOM 1088 CG TRP A1965 11.345 25.970 2.163 1.00 21.73 C ATOM 1089 CD1 TRP A1965 9.961 25.723 2.216 1.00 24.56 C ATOM 1090 CD2 TRP A1965 11.640 26.208 0.781 1.00 23.01 C ATOM 1091 NE1 TRP A1965 9.447 25.714 0.947 1.00 27.30 N ATOM 1092 CE2 TRP A1965 10.454 26.011 0.055 1.00 25.58 C ATOM 1093 CE3 TRP A1965 12.825 26.517 0.082 1.00 20.95 C ATOM 1094 CZ2 TRP A1965 10.392 26.151 -1.338 1.00 27.00 C ATOM 1095 CZ3 TRP A1965 12.751 26.611 -1.316 1.00 21.52 C ATOM 1096 CH2 TRP A1965 11.559 26.455 -1.987 1.00 27.64 C ATOM 1097 HE1 TRP A1965 8.457 25.515 0.697 1.00 0.00 H ATOM 1098 H TRP A1965 14.236 26.692 4.854 1.00 0.00 H ATOM 1099 N THR A1966 11.176 27.975 5.469 1.00 25.78 N ATOM 1100 CA THR A1966 10.088 28.619 6.159 1.00 26.77 C ATOM 1101 C THR A1966 10.333 30.107 6.322 1.00 27.90 C ATOM 1102 O THR A1966 9.432 30.944 6.117 1.00 31.60 O ATOM 1103 CB THR A1966 9.889 27.983 7.548 1.00 31.94 C ATOM 1104 OG1 THR A1966 9.496 26.622 7.380 1.00 32.95 O ATOM 1105 CG2 THR A1966 8.831 28.685 8.316 1.00 36.77 C ATOM 1106 HG1 THR A1966 9.366 26.205 8.269 1.00 0.00 H ATOM 1107 H THR A1966 11.737 27.258 5.972 1.00 0.00 H ATOM 1108 N ASP A1967 11.542 30.450 6.749 1.00 25.98 N ATOM 1109 CA ASP A1967 11.810 31.864 6.997 1.00 29.06 C ATOM 1110 C ASP A1967 11.780 32.672 5.718 1.00 27.69 C ATOM 1111 O ASP A1967 11.388 33.843 5.728 1.00 33.65 O ATOM 1112 CB ASP A1967 13.154 32.047 7.654 1.00 33.72 C ATOM 1113 CG ASP A1967 13.171 31.534 9.083 1.00 33.24 C ATOM 1114 OD1 ASP A1967 12.101 31.205 9.633 1.00 36.16 O ATOM 1115 OD2 ASP A1967 14.257 31.472 9.620 1.00 37.94 O ATOM 1116 H ASP A1967 12.278 29.732 6.903 1.00 0.00 H ATOM 1117 N THR A1968 12.210 32.057 4.632 1.00 27.34 N ATOM 1118 CA THR A1968 12.267 32.768 3.343 1.00 28.33 C ATOM 1119 C THR A1968 10.913 32.927 2.661 1.00 26.82 C ATOM 1120 O THR A1968 10.599 33.997 2.125 1.00 35.09 O ATOM 1121 CB THR A1968 13.272 32.087 2.427 1.00 29.77 C ATOM 1122 OG1 THR A1968 14.561 32.050 3.072 1.00 28.66 O ATOM 1123 CG2 THR A1968 13.387 32.813 1.086 1.00 28.15 C ATOM 1124 HG1 THR A1968 14.490 31.544 3.920 1.00 0.00 H ATOM 1125 H THR A1968 12.511 31.063 4.687 1.00 0.00 H ATOM 1126 N PHE A1969 10.096 31.873 2.667 1.00 29.67 N ATOM 1127 CA PHE A1969 8.969 31.797 1.775 1.00 33.28 C ATOM 1128 C PHE A1969 7.615 31.744 2.451 1.00 42.77 C ATOM 1129 O PHE A1969 6.615 32.029 1.813 1.00 48.97 O ATOM 1130 CB PHE A1969 9.115 30.603 0.842 1.00 33.14 C ATOM 1131 CG PHE A1969 10.235 30.761 -0.146 1.00 28.21 C ATOM 1132 CD1 PHE A1969 10.181 31.769 -1.094 1.00 27.52 C ATOM 1133 CD2 PHE A1969 11.337 29.930 -0.130 1.00 27.93 C ATOM 1134 CE1 PHE A1969 11.194 31.928 -2.021 1.00 28.95 C ATOM 1135 CE2 PHE A1969 12.344 30.101 -1.063 1.00 26.95 C ATOM 1136 CZ PHE A1969 12.264 31.090 -1.984 1.00 24.59 C ATOM 1137 H PHE A1969 10.277 31.091 3.329 1.00 0.00 H ATOM 1138 N LYS A1970 7.578 31.331 3.712 1.00 50.82 N ATOM 1139 CA LYS A1970 6.350 31.400 4.495 1.00 74.25 C ATOM 1140 C LYS A1970 6.315 32.778 5.143 1.00 74.04 C ATOM 1141 O LYS A1970 6.966 33.004 6.175 1.00 62.90 O ATOM 1142 CB LYS A1970 6.297 30.274 5.534 1.00 70.54 C ATOM 1143 CG LYS A1970 6.300 28.872 4.929 1.00 70.06 C ATOM 1144 CD LYS A1970 5.066 28.610 4.062 1.00103.89 C ATOM 1145 CE LYS A1970 5.059 27.197 3.491 1.00111.40 C ATOM 1146 NZ LYS A1970 6.214 26.931 2.585 1.00 84.11 N ATOM 1147 HZ1 LYS A1970 6.187 27.596 1.786 1.00 0.00 H ATOM 1148 HZ2 LYS A1970 7.102 27.056 3.112 1.00 0.00 H ATOM 1149 HZ3 LYS A1970 6.156 25.956 2.228 1.00 0.00 H ATOM 1150 H LYS A1970 8.441 30.951 4.150 1.00 0.00 H ATOM 1151 N VAL A1971 5.579 33.691 4.501 1.00 74.08 N ATOM 1152 CA VAL A1971 5.586 35.130 4.819 1.00115.76 C ATOM 1153 C VAL A1971 6.816 35.561 5.628 1.00113.22 C ATOM 1154 O VAL A1971 7.948 35.490 5.136 1.00103.63 O ATOM 1155 CB VAL A1971 4.273 35.599 5.522 1.00100.04 C ATOM 1156 CG1 VAL A1971 3.097 35.534 4.555 1.00 98.89 C ATOM 1157 CG2 VAL A1971 3.983 34.788 6.781 1.00 91.85 C ATOM 1158 H VAL A1971 4.963 33.365 3.729 1.00 0.00 H TER 1159 VAL A1971 HETATM 1160 O HOH 1 23.184 12.888 -7.485 1.00 19.69 O HETATM 1161 O HOH 2 11.443 15.015 -2.827 1.00 21.18 O HETATM 1162 O HOH 3 28.924 7.997 -9.937 1.00 33.53 O HETATM 1163 O HOH 4 30.731 11.840 -7.774 1.00 34.70 O HETATM 1164 O HOH 5 28.615 25.485 8.977 1.00 30.74 O HETATM 1165 O HOH 6 23.383 12.328 -10.092 1.00 26.09 O HETATM 1166 O HOH 7 -8.457 31.073 -18.062 1.00 29.36 O HETATM 1167 O HOH 8 18.773 4.409 11.113 1.00 34.59 O HETATM 1168 O HOH 9 15.025 35.976 -8.728 1.00 24.56 O HETATM 1169 O HOH 10 30.566 22.877 2.994 1.00 25.13 O HETATM 1170 O HOH 11 8.544 29.817 -8.211 1.00 20.67 O HETATM 1171 O HOH 12 25.973 13.120 -2.361 1.00 17.05 O HETATM 1172 O HOH 13 4.552 30.585 -6.314 1.00 34.23 O HETATM 1173 O HOH 14 21.683 10.866 -3.730 1.00 17.81 O HETATM 1174 O HOH 15 24.826 9.068 -7.410 1.00 20.55 O HETATM 1175 O HOH 16 18.939 12.841 5.769 1.00 19.48 O HETATM 1176 O HOH 17 20.212 10.927 7.376 1.00 21.03 O HETATM 1177 O HOH 18 23.386 13.084 -2.111 1.00 21.71 O HETATM 1178 O HOH 19 25.000 3.452 7.469 1.00 29.99 O HETATM 1179 O HOH 20 21.877 11.899 -0.131 1.00 21.09 O HETATM 1180 O HOH 21 28.073 21.198 -4.185 1.00 25.99 O HETATM 1181 O HOH 22 26.160 27.955 5.685 1.00 27.59 O HETATM 1182 O HOH 23 22.220 9.253 0.122 1.00 18.44 O HETATM 1183 O HOH 24 10.036 24.115 5.892 1.00 25.64 O HETATM 1184 O HOH 25 14.472 8.839 -1.245 1.00 29.89 O HETATM 1185 O HOH 26 5.220 22.070 -9.263 1.00 37.21 O HETATM 1186 O HOH 27 19.824 8.351 8.345 1.00 22.07 O HETATM 1187 O HOH 28 15.805 26.846 -12.609 1.00 24.57 O HETATM 1188 O HOH 29 18.433 27.306 9.045 1.00 24.81 O HETATM 1189 O HOH 30 3.030 32.604 -7.864 1.00 33.54 O HETATM 1190 O HOH 31 20.913 34.958 -4.868 1.00 32.05 O HETATM 1191 O HOH 32 15.485 8.046 -4.772 1.00 20.87 O HETATM 1192 O HOH 33 32.867 16.135 0.462 1.00 25.52 O HETATM 1193 O HOH 34 -7.653 37.971 -8.533 1.00 33.26 O HETATM 1194 O HOH 35 28.936 7.966 7.811 1.00 26.70 O HETATM 1195 O HOH 36 30.785 17.401 9.479 1.00 24.02 O HETATM 1196 O HOH 37 17.815 11.613 -10.004 1.00 32.46 O HETATM 1197 O HOH 38 16.552 31.745 8.296 1.00 32.71 O HETATM 1198 O HOH 39 8.157 18.037 -0.106 1.00 30.24 O HETATM 1199 O HOH 40 22.534 22.026 -17.230 1.00 27.70 O HETATM 1200 O HOH 41 32.899 20.525 5.567 1.00 29.97 O HETATM 1201 O HOH 42 24.282 9.637 -10.015 1.00 25.90 O HETATM 1202 O HOH 43 16.176 2.054 4.227 1.00 29.15 O HETATM 1203 O HOH 44 26.769 9.454 -11.309 1.00 36.95 O HETATM 1204 O HOH 45 12.567 15.960 -7.117 1.00 24.32 O HETATM 1205 O HOH 46 21.714 19.398 -16.116 1.00 30.94 O HETATM 1206 O HOH 47 11.153 14.169 -5.443 1.00 30.24 O HETATM 1207 O HOH 48 26.941 22.953 -5.745 1.00 25.74 O HETATM 1208 O HOH 49 0.209 31.601 -4.786 1.00 37.50 O HETATM 1209 O HOH 50 17.002 13.781 7.581 1.00 26.18 O HETATM 1210 O HOH 51 7.384 22.976 0.059 1.00 37.01 O HETATM 1211 O HOH 52 -7.543 31.325 -14.272 1.00 37.44 O HETATM 1212 O HOH 53 19.887 4.661 -9.357 1.00 31.44 O HETATM 1213 O HOH 54 12.127 24.578 -15.842 1.00 29.04 O HETATM 1214 O HOH 55 12.875 9.066 -5.204 1.00 28.24 O HETATM 1215 O HOH 56 22.364 28.813 -9.433 1.00 32.36 O HETATM 1216 O HOH 57 20.926 6.040 -11.344 1.00 34.09 O HETATM 1217 O HOH 58 32.890 15.966 -2.258 1.00 27.35 O HETATM 1218 O HOH 59 33.495 23.487 6.303 1.00 48.88 O HETATM 1219 O HOH 60 14.874 15.446 -9.880 1.00 25.95 O HETATM 1220 O HOH 61 3.561 37.633 -2.410 1.00 45.90 O HETATM 1221 O HOH 62 30.827 23.754 -1.161 1.00 29.91 O HETATM 1222 O HOH 63 15.819 38.606 -8.018 1.00 37.50 O HETATM 1223 O HOH 64 17.913 7.442 -11.883 1.00 44.81 O HETATM 1224 O HOH 65 19.545 16.664 13.654 1.00 52.16 O HETATM 1225 O HOH 66 23.431 32.941 -3.988 1.00 41.14 O HETATM 1226 O HOH 67 8.511 35.460 -12.282 1.00 58.53 O HETATM 1227 O HOH 68 -2.025 37.730 -7.579 1.00 47.23 O HETATM 1228 O HOH 69 12.203 9.813 -2.474 1.00 28.96 O HETATM 1229 O HOH 70 33.948 18.583 1.395 1.00 34.36 O HETATM 1230 O HOH 71 23.066 30.370 8.298 1.00 40.20 O HETATM 1231 O HOH 72 18.611 30.183 9.114 1.00 39.24 O HETATM 1232 O HOH 73 27.607 4.017 12.063 1.00 56.10 O HETATM 1233 O HOH 74 17.200 15.581 -12.405 1.00 34.89 O HETATM 1234 O HOH 75 28.760 27.961 -2.398 1.00 37.77 O HETATM 1235 O HOH 76 27.881 17.337 -10.352 1.00 48.62 O HETATM 1236 O HOH 77 33.024 6.968 -10.684 1.00 59.68 O HETATM 1237 O HOH 78 -2.405 31.149 -5.924 1.00 41.26 O HETATM 1238 O HOH 79 26.605 27.322 8.564 1.00 52.69 O HETATM 1239 O HOH 80 15.167 0.543 -3.552 1.00 45.42 O HETATM 1240 O HOH 81 -14.898 29.681 -15.189 1.00 30.85 O HETATM 1241 O HOH 82 25.830 30.848 5.479 1.00 48.28 O HETATM 1242 O HOH 83 14.227 23.305 10.804 1.00 36.22 O HETATM 1243 O HOH 84 22.314 8.489 -11.532 1.00 35.10 O HETATM 1244 O HOH 85 30.170 22.613 -3.716 1.00 35.67 O HETATM 1245 O HOH 86 22.441 18.424 -13.694 1.00 33.83 O HETATM 1246 O HOH 87 30.993 26.344 -1.722 1.00 42.29 O HETATM 1247 O HOH 88 11.250 35.360 8.254 1.00 58.29 O HETATM 1248 O HOH 89 13.136 13.355 8.959 1.00 47.80 O HETATM 1249 O HOH 90 4.030 36.502 -9.418 1.00 66.80 O HETATM 1250 O HOH 91 11.915 22.304 -17.027 1.00 51.29 O HETATM 1251 O HOH 92 16.042 7.037 8.974 1.00 38.62 O HETATM 1252 O HOH 93 18.247 9.839 -12.101 1.00 40.33 O HETATM 1253 O HOH 94 16.135 17.146 10.613 1.00 33.22 O HETATM 1254 O HOH 95 7.974 21.269 -2.787 1.00 41.93 O HETATM 1255 O HOH 96 16.525 39.375 -5.653 1.00 41.06 O HETATM 1256 O HOH 97 27.813 0.000 0.000 1.00 32.17 O HETATM 1257 O HOH 98 15.987 13.156 -10.738 1.00 41.64 O HETATM 1258 O HOH 99 6.141 36.365 -2.249 1.00 37.04 O HETATM 1259 O HOH 100 3.899 28.142 -5.242 1.00 49.90 O HETATM 1260 O HOH 101 32.892 24.411 3.076 1.00 44.55 O HETATM 1261 O HOH 102 -5.628 32.492 -4.115 1.00 41.45 O HETATM 1262 O HOH 103 18.417 17.341 -15.347 1.00 42.54 O HETATM 1263 O HOH 104 7.574 24.449 4.884 1.00 45.15 O HETATM 1264 O HOH 105 33.428 20.303 13.979 1.00 39.39 O HETATM 1265 O HOH 106 9.651 32.844 9.915 1.00 60.61 O HETATM 1266 O HOH 107 20.473 16.639 -13.773 1.00 34.51 O HETATM 1267 O HOH 108 10.329 25.453 9.659 1.00 42.60 O HETATM 1268 O HOH 109 29.935 7.018 10.391 1.00 38.21 O HETATM 1269 O HOH 110 28.234 27.529 -5.548 1.00 55.62 O HETATM 1270 O HOH 111 4.982 26.098 -12.198 1.00 36.65 O HETATM 1271 O HOH 112 -9.845 37.270 -15.565 1.00 55.42 O HETATM 1272 O HOH 113 19.694 14.392 -12.356 1.00 32.83 O HETATM 1273 O HOH 114 27.600 11.793 -12.115 1.00 41.30 O HETATM 1274 O HOH 115 12.039 5.077 -4.762 1.00 47.75 O HETATM 1275 O HOH 116 11.988 14.456 -9.520 1.00 41.47 O HETATM 1276 O HOH 117 20.653 37.513 -3.960 1.00 47.77 O HETATM 1277 O HOH 118 19.399 30.463 -13.095 1.00 29.59 O HETATM 1278 O HOH 119 20.737 10.562 -12.168 1.00 45.80 O HETATM 1279 O HOH 120 16.176 38.223 -3.384 1.00 43.07 O HETATM 1280 O HOH 121 34.436 9.742 -4.556 1.00 40.24 O HETATM 1281 O HOH 122 14.584 12.185 -12.740 1.00 40.30 O HETATM 1282 O HOH 123 28.782 6.775 14.172 1.00 49.49 O HETATM 1283 O HOH 124 17.148 11.421 -14.360 1.00 55.44 O HETATM 1284 O HOH 125 29.937 30.300 -1.920 1.00 45.78 O HETATM 1285 O HOH 126 11.131 12.362 4.676 1.00 37.23 O HETATM 1286 O HOH 127 15.362 18.724 -15.733 1.00 49.40 O HETATM 1287 O HOH 128 25.889 7.638 -13.417 1.00 56.99 O HETATM 1288 O HOH 129 28.473 23.385 -7.891 1.00 28.63 O HETATM 1289 O HOH 130 -6.641 33.969 -2.144 1.00 29.56 O HETATM 1290 O HOH 131 24.979 18.273 -13.167 1.00 39.02 O HETATM 1291 O HOH 132 7.833 17.684 2.839 1.00 41.12 O HETATM 1292 O HOH 133 22.965 10.926 -14.354 1.00 62.38 O HETATM 1293 O HOH 134 32.891 12.094 -4.358 1.00 34.42 O HETATM 1294 O HOH 135 34.481 13.990 -3.268 1.00 35.11 O HETATM 1295 O HOH 136 12.285 20.691 10.322 1.00 40.29 O HETATM 1296 O HOH 137 19.569 34.982 -9.469 1.00 50.58 O HETATM 1297 O HOH 138 15.239 14.614 10.521 1.00 40.82 O HETATM 1298 O HOH 139 4.957 26.703 -7.253 1.00 44.67 O HETATM 1299 O HOH 140 35.900 9.773 -2.117 1.00 51.80 O HETATM 1300 O HOH 141 10.276 14.418 1.495 1.00 26.02 O HETATM 1301 O HOH 142 9.467 15.724 -0.888 1.00 25.99 O HETATM 1302 O HOH 143 10.219 16.341 3.670 1.00 28.39 O HETATM 1303 O HOH 144 12.164 17.712 4.895 1.00 22.50 O HETATM 1304 O HOH 145 11.147 17.917 7.409 1.00 39.13 O HETATM 1305 O HOH 146 12.054 12.519 -1.777 1.00 26.24 O HETATM 1306 O HOH 147 12.054 18.377 -8.514 1.00 21.92 O HETATM 1307 O HOH 148 13.225 18.342 -11.010 1.00 29.75 O HETATM 1308 O HOH 149 12.616 15.935 -11.953 1.00 41.14 O HETATM 1309 O HOH 150 11.736 11.508 -6.336 1.00 33.81 O HETATM 1310 O HOH 151 12.317 20.399 -12.079 1.00 36.43 O HETATM 1311 O HOH 152 9.736 19.603 -12.640 1.00 40.78 O HETATM 1312 O HOH 153 5.880 29.532 -8.229 1.00 31.98 O HETATM 1313 O HOH 154 9.439 36.041 -4.900 1.00 27.65 O HETATM 1314 O HOH 155 9.758 37.512 -2.979 1.00 47.82 O HETATM 1315 O HOH 156 26.713 24.383 -12.018 1.00 27.70 O HETATM 1316 O HOH 157 27.154 22.391 -10.183 1.00 23.63 O HETATM 1317 O HOH 158 26.222 26.933 -11.746 1.00 34.29 O HETATM 1318 O HOH 159 31.858 20.544 3.157 1.00 28.89 O HETATM 1319 O HOH 160 26.232 1.623 -6.672 1.00 26.68 O HETATM 1320 O HOH 161 24.358 -0.569 -7.104 1.00 35.91 O HETATM 1321 O HOH 162 20.933 12.783 -10.520 1.00 34.62 O HETATM 1322 O HOH 163 -7.311 33.724 -15.503 1.00 53.79 O HETATM 1323 O HOH 164 -7.197 29.522 -16.302 1.00 42.54 O HETATM 1324 O HOH 165 -4.889 35.745 -1.211 1.00 39.65 O HETATM 1325 O HOH 166 -5.345 38.637 -8.733 1.00 44.78 O HETATM 1326 O HOH 167 23.963 11.089 -5.610 1.00 19.60 O HETATM 1327 O HOH 168 32.880 -2.032 -5.772 1.00 61.48 O HETATM 1328 O HOH 169 9.436 17.918 -9.698 1.00 35.24 O HETATM 1329 O HOH 170 6.957 18.437 -9.203 1.00 35.85 O HETATM 1330 O HOH 171 6.462 20.488 -7.606 1.00 45.12 O HETATM 1331 O HOH 172 3.798 24.230 -7.339 1.00 47.46 O HETATM 1332 O HOH 173 6.597 26.150 0.043 1.00 41.11 O HETATM 1333 O HOH 174 7.094 23.335 2.558 1.00 43.12 O HETATM 1334 O HOH 175 5.707 28.862 -0.634 1.00 57.27 O HETATM 1335 O HOH 176 5.692 19.958 -4.705 1.00 51.84 O HETATM 1336 O HOH 177 4.815 17.181 -5.094 1.00 50.74 O HETATM 1337 O HOH 178 7.417 14.327 -1.657 1.00 43.79 O HETATM 1338 O HOH 179 7.889 13.389 2.073 1.00 43.59 O HETATM 1339 O HOH 180 8.937 11.770 -2.071 1.00 47.75 O HETATM 1340 O HOH 181 30.872 9.829 -9.560 1.00 41.03 O HETATM 1341 O HOH 182 29.701 6.082 -11.740 1.00 50.08 O HETATM 1342 O HOH 183 30.362 15.493 -10.779 1.00 44.00 O HETATM 1343 O HOH 184 22.354 15.011 -13.780 1.00 48.09 O HETATM 1344 O HOH 185 23.893 14.492 -11.529 1.00 35.47 O HETATM 1345 O HOH 186 30.572 21.588 -7.715 1.00 41.33 O HETATM 1346 O HOH 187 30.524 19.781 -9.902 1.00 42.80 O HETATM 1347 O HOH 188 27.323 20.341 -13.709 1.00 43.44 O HETATM 1348 O HOH 189 27.294 29.101 -7.464 1.00 52.47 O HETATM 1349 O HOH 190 27.940 27.948 -9.864 1.00 41.68 O HETATM 1350 O HOH 191 -3.602 31.834 -0.254 1.00 55.64 O HETATM 1351 O HOH 192 23.769 32.842 0.604 1.00 44.23 O HETATM 1352 O HOH 193 24.390 34.139 -1.430 1.00 45.64 O HETATM 1353 O HOH 194 15.205 34.713 5.354 1.00 50.11 O HETATM 1354 O HOH 195 16.588 32.465 5.433 1.00 41.99 O HETATM 1355 O HOH 196 14.492 35.464 9.682 1.00 55.63 O HETATM 1356 O HOH 197 11.782 29.517 11.879 1.00 55.66 O HETATM 1357 O HOH 198 11.839 31.141 14.364 1.00 52.39 O HETATM 1358 O HOH 199 8.333 29.409 12.031 1.00 52.24 O HETATM 1359 O HOH 200 8.929 22.721 8.025 1.00 47.89 O HETATM 1360 O HOH 201 13.449 18.824 9.380 1.00 39.49 O HETATM 1361 O HOH 202 9.661 14.353 5.454 1.00 46.85 O HETATM 1362 O HOH 203 23.450 32.010 6.550 1.00 49.17 O HETATM 1363 O HOH 204 32.694 20.121 -4.578 1.00 40.31 O HETATM 1364 O HOH 205 33.547 18.405 -3.165 1.00 35.45 O HETATM 1365 O HOH 206 35.772 17.859 -5.361 1.00 41.75 O HETATM 1366 O HOH 207 36.209 12.607 -1.555 1.00 41.44 O HETATM 1367 O HOH 208 35.231 14.025 -7.847 1.00 47.73 O HETATM 1368 O HOH 209 18.190 1.240 -9.817 1.00 42.07 O HETATM 1369 O HOH 210 16.085 15.983 -14.913 1.00 51.24 O HETATM 1370 O HOH 211 13.148 20.493 -15.884 1.00 49.33 O HETATM 1371 O HOH 212 30.374 24.698 -4.702 1.00 52.11 O HETATM 1372 O HOH 213 18.176 1.673 11.265 1.00 56.85 O HETATM 1373 O HOH 214 26.684 2.863 9.635 1.00 38.92 O HETATM 1374 O HOH 215 17.368 6.615 15.057 1.00 45.24 O HETATM 1375 O HOH 216 36.022 9.541 2.080 1.00 59.06 O HETATM 1376 O HOH 217 35.777 7.911 5.356 1.00 46.37 O HETATM 1377 O HOH 218 33.222 12.136 -6.860 1.00 49.03 O HETATM 1378 O HOH 219 36.158 15.080 -5.280 1.00 42.59 O HETATM 1379 O HOH 220 33.459 22.914 -0.670 1.00 45.05 O HETATM 1380 O HOH 221 17.052 10.952 14.148 1.00 66.93 O HETATM 1381 O HOH 222 21.362 4.309 13.493 1.00 36.56 O HETATM 1382 O HOH 223 14.398 6.342 -0.709 1.00 48.22 O HETATM 1383 O HOH 224 11.506 7.254 -6.500 1.00 46.19 O HETATM 1384 O HOH 225 11.870 6.572 -9.351 1.00 48.25 O HETATM 1385 O HOH 226 12.841 0.900 -4.545 1.00 53.36 O HETATM 1386 O HOH 227 25.703 16.286 -11.533 1.00 49.33 O HETATM 1387 O HOH 228 0.831 28.971 -8.449 1.00 57.12 O HETATM 1388 O HOH 229 3.220 40.637 -7.973 1.00 62.89 O HETATM 1389 O HOH 230 1.826 35.868 -0.805 1.00 54.19 O HETATM 1390 O HOH 231 5.389 33.234 -0.070 1.00 49.77 O HETATM 1391 O HOH 232 7.946 35.049 -0.854 1.00 43.99 O HETATM 1392 O HOH 233 12.413 36.469 2.128 1.00 52.99 O HETATM 1393 O HOH 234 15.606 36.421 2.543 1.00 51.23 O HETATM 1394 O HOH 235 25.988 31.530 2.456 1.00 51.98 O HETATM 1395 O HOH 236 29.254 31.871 0.685 1.00 44.24 O HETATM 1396 O HOH 237 27.331 30.525 -4.521 1.00 55.85 O HETATM 1397 O HOH 238 21.087 35.443 -7.496 1.00 65.21 O HETATM 1398 O HOH 239 21.288 31.095 -9.797 1.00 46.10 O HETATM 1399 O HOH 240 19.671 39.312 -6.208 1.00 53.48 O HETATM 1400 O HOH 241 33.515 -0.992 -3.703 1.00 54.92 O HETATM 1401 O HOH 242 15.898 4.688 -11.405 1.00 50.02 O HETATM 1402 O HOH 243 13.930 3.668 4.105 1.00 50.58 O HETATM 1403 O HOH 244 14.359 5.189 6.353 1.00 57.61 O HETATM 1404 O HOH 245 6.678 20.583 -12.530 1.00 56.06 O HETATM 1405 C01 IR A 5 25.062 10.970 0.656 1.00 0.01 C HETATM 1406 C02 IR A 5 25.550 9.559 0.912 1.00 0.13 C HETATM 1407 O01 IR A 5 24.769 8.630 1.120 1.00 -0.40 O HETATM 1408 C03 IR A 5 26.962 9.313 0.819 1.00 0.12 C HETATM 1409 C04 IR A 5 27.944 10.209 0.534 1.00 -0.06 C HETATM 1410 C05 IR A 5 29.187 9.525 0.517 1.00 -0.03 C HETATM 1411 C06 IR A 5 30.483 10.151 0.274 1.00 -0.05 C HETATM 1412 C07 IR A 5 30.904 11.154 1.147 1.00 -0.07 C HETATM 1413 C08 IR A 5 32.140 11.764 0.952 1.00 -0.08 C HETATM 1414 C09 IR A 5 32.948 11.388 -0.100 1.00 -0.08 C HETATM 1415 C10 IR A 5 32.536 10.408 -0.982 1.00 -0.07 C HETATM 1416 C11 IR A 5 31.308 9.757 -0.808 1.00 -0.02 C HETATM 1417 C12 IR A 5 30.899 8.682 -1.791 1.00 0.07 C HETATM 1418 O02 IR A 5 30.781 9.181 -3.106 1.00 -0.38 O HETATM 1419 H11 IR A 5 30.524 8.476 -3.689 1.00 0.21 H HETATM 1420 H9 IR A 5 29.928 8.268 -1.480 1.00 0.07 H HETATM 1421 H10 IR A 5 31.657 7.885 -1.781 1.00 0.07 H HETATM 1422 H8 IR A 5 33.171 10.139 -1.819 1.00 0.05 H HETATM 1423 H7 IR A 5 33.912 11.864 -0.236 1.00 0.05 H HETATM 1424 H6 IR A 5 32.470 12.541 1.633 1.00 0.05 H HETATM 1425 H5 IR A 5 30.272 11.457 1.974 1.00 0.05 H HETATM 1426 C13 IR A 5 28.913 8.221 0.873 1.00 0.08 C HETATM 1427 C14 IR A 5 29.729 7.079 1.047 1.00 0.00 C HETATM 1428 C15 IR A 5 29.149 5.924 1.414 1.00 0.12 C HETATM 1429 O1 IR A 5 29.869 4.756 1.601 1.00 -0.26 O HETATM 1430 C16 IR A 5 31.240 4.793 1.811 1.00 0.12 C HETATM 1431 C17 IR A 5 32.090 4.470 0.772 1.00 -0.03 C HETATM 1432 C18 IR A 5 33.464 4.486 0.999 1.00 -0.07 C HETATM 1433 C19 IR A 5 33.965 4.789 2.247 1.00 -0.07 C HETATM 1434 C20 IR A 5 33.107 5.070 3.290 1.00 -0.07 C HETATM 1435 C21 IR A 5 31.729 5.096 3.077 1.00 -0.03 C HETATM 1436 H17 IR A 5 31.051 5.348 3.884 1.00 0.06 H HETATM 1437 H16 IR A 5 33.505 5.271 4.278 1.00 0.06 H HETATM 1438 H15 IR A 5 35.037 4.806 2.409 1.00 0.05 H HETATM 1439 H14 IR A 5 34.145 4.258 0.187 1.00 0.06 H HETATM 1440 H13 IR A 5 31.695 4.209 -0.203 1.00 0.06 H HETATM 1441 C22 IR A 5 27.796 5.780 1.569 1.00 0.02 C HETATM 1442 C1 IR A 5 26.989 6.856 1.384 1.00 0.08 C HETATM 1443 N1 IR A 5 27.527 8.065 1.042 1.00 -0.22 N HETATM 1444 H19 IR A 5 25.912 6.756 1.508 1.00 0.12 H HETATM 1445 H18 IR A 5 27.372 4.814 1.838 1.00 0.06 H HETATM 1446 H12 IR A 5 30.805 7.135 0.887 1.00 0.05 H HETATM 1447 H4 IR A 5 27.801 11.273 0.350 1.00 0.04 H HETATM 1448 H1 IR A 5 25.925 11.633 0.497 1.00 0.04 H HETATM 1449 H2 IR A 5 24.485 11.322 1.524 1.00 0.04 H HETATM 1450 H3 IR A 5 24.422 10.980 -0.238 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1405 1406 1448 1449 1450 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1443 CONECT 1409 1408 1410 1447 CONECT 1410 1409 1411 1426 CONECT 1411 1410 1412 1416 CONECT 1412 1411 1413 1425 CONECT 1413 1412 1414 1424 CONECT 1414 1413 1415 1423 CONECT 1415 1414 1416 1422 CONECT 1416 1411 1415 1417 CONECT 1417 1416 1418 1420 1421 CONECT 1418 1417 1419 CONECT 1419 1418 CONECT 1420 1417 CONECT 1421 1417 CONECT 1422 1415 CONECT 1423 1414 CONECT 1424 1413 CONECT 1425 1412 CONECT 1426 1410 1427 1443 CONECT 1427 1426 1428 1446 CONECT 1428 1427 1429 1441 CONECT 1429 1428 1430 CONECT 1430 1429 1431 1435 CONECT 1431 1430 1432 1440 CONECT 1432 1431 1433 1439 CONECT 1433 1432 1434 1438 CONECT 1434 1433 1435 1437 CONECT 1435 1430 1434 1436 CONECT 1436 1435 CONECT 1437 1434 CONECT 1438 1433 CONECT 1439 1432 CONECT 1440 1431 CONECT 1441 1428 1442 1445 CONECT 1442 1441 1443 1444 CONECT 1443 1408 1426 1442 CONECT 1444 1442 CONECT 1445 1441 CONECT 1446 1427 CONECT 1447 1409 CONECT 1448 1405 CONECT 1449 1405 CONECT 1450 1405 MASTER 0 0 0 0 0 0 0 0 1449 1 50 9 END
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Related entries of code: 4ir5
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PDBbind
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117aa, >5OR9_1|Chain... at 100%
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PDBbind
117aa, >5ORB_1|Chain... at 100%
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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
4ir5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bromodomain of human BAZ2B
Ligand Name
IR5
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
IC50=0.61uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59 (4): pp. 1410-1424
Ligand Properties
Formula
C
2
3
H
1
9
NO
3
Molecular Weight
357.402
Exact Mass
357.136
No. of atoms
46
No. of bonds
49
Polar Surface Area
50.94
LOGP Value
4.79 (
Computed with XLOGP3
)
5.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
OCc1ccccc1c1cc(n2c1cc(cc2)Oc1ccccc1)C(=O)C
InChI String
InChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3
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):
Q9UIF8
Entrez Gene ID
NCBI Entrez Gene ID:
29994
ASD
Information of known allosteric effects of PDB entries
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