Browse entries in the PDBbind-CN Database
HEADER 4NRB_COMPLEX COMPND 4NRB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 SER MET SER VAL LYS LYS PRO LYS ARG ASP ASP SER LYS SEQRES 2 A 114 ASP LEU ALA LEU CYS SER MET ILE LEU THR GLU MET GLU SEQRES 3 A 114 THR HIS GLU ASP ALA TRP PRO PHE LEU LEU PRO VAL ASN SEQRES 4 A 114 LEU LYS LEU VAL PRO GLY TYR LYS LYS VAL ILE LYS LYS SEQRES 5 A 114 PRO MET ASP PHE SER THR ILE ARG GLU LYS LEU SER SER SEQRES 6 A 114 GLY GLN TYR PRO ASN LEU GLU THR PHE ALA LEU ASP VAL SEQRES 7 A 114 ARG LEU VAL PHE ASP ASN CYS GLU THR PHE ASN GLU ASP SEQRES 8 A 114 ASP SER ASP ILE GLY ARG ALA GLY HIS ASN MET ARG LYS SEQRES 9 A 114 TYR PHE GLU LYS LYS TRP THR ASP THR PHE HET UNN A 317 34 ATOM 1 N SER A1856 -10.147 28.420 -11.365 1.00 22.30 N ATOM 2 CA SER A1856 -10.672 27.859 -12.606 1.00 22.11 C ATOM 3 C SER A1856 -10.535 28.887 -13.745 1.00 26.56 C ATOM 4 O SER A1856 -9.861 29.913 -13.551 1.00 25.55 O ATOM 5 CB SER A1856 -12.119 27.410 -12.420 1.00 23.40 C ATOM 6 OG SER A1856 -13.001 28.509 -12.265 1.00 28.88 O ATOM 7 HG SER A1856 -12.956 29.083 -13.070 1.00 0.00 H ATOM 8 HN3 SER A1856 -10.682 29.278 -11.120 1.00 0.00 H ATOM 9 HN2 SER A1856 -9.143 28.660 -11.492 1.00 0.00 H ATOM 10 HN1 SER A1856 -10.243 27.720 -10.602 1.00 0.00 H ATOM 11 N MET A1857 -11.145 28.602 -14.929 1.00 22.77 N ATOM 12 CA MET A1857 -11.122 29.464 -16.124 1.00 22.57 C ATOM 13 C MET A1857 -11.648 30.869 -15.792 1.00 26.82 C ATOM 14 O MET A1857 -12.794 31.015 -15.329 1.00 25.90 O ATOM 15 CB MET A1857 -11.950 28.840 -17.250 1.00 24.45 C ATOM 16 CG MET A1857 -11.646 29.402 -18.620 1.00 27.49 C ATOM 17 SD MET A1857 -12.911 29.018 -19.859 1.00 30.60 S ATOM 18 CE MET A1857 -12.944 27.318 -19.830 1.00 28.09 C ATOM 19 H MET A1857 -11.668 27.706 -14.995 1.00 0.00 H ATOM 20 N SER A1858 -10.782 31.891 -16.000 1.00 23.67 N ATOM 21 CA SER A1858 -11.037 33.326 -15.738 1.00 23.65 C ATOM 22 C SER A1858 -11.272 33.622 -14.229 1.00 26.03 C ATOM 23 O SER A1858 -11.876 34.642 -13.894 1.00 24.76 O ATOM 24 CB SER A1858 -12.210 33.842 -16.575 1.00 25.63 C ATOM 25 OG SER A1858 -12.079 33.443 -17.930 1.00 29.41 O ATOM 26 HG SER A1858 -12.848 33.788 -18.450 1.00 0.00 H ATOM 27 H SER A1858 -9.847 31.643 -16.381 1.00 0.00 H ATOM 28 N VAL A1859 -10.803 32.729 -13.322 1.00 22.67 N ATOM 29 CA VAL A1859 -10.954 32.898 -11.860 1.00 23.01 C ATOM 30 C VAL A1859 -9.601 32.621 -11.208 1.00 29.74 C ATOM 31 O VAL A1859 -9.238 31.461 -10.987 1.00 29.17 O ATOM 32 CB VAL A1859 -12.084 32.042 -11.219 1.00 25.17 C ATOM 33 CG1 VAL A1859 -12.246 32.385 -9.747 1.00 24.93 C ATOM 34 CG2 VAL A1859 -13.416 32.202 -11.957 1.00 24.51 C ATOM 35 H VAL A1859 -10.312 31.882 -13.672 1.00 0.00 H ATOM 36 N LYS A1860 -8.845 33.680 -10.934 1.00 28.08 N ATOM 37 CA LYS A1860 -7.503 33.523 -10.393 1.00 28.74 C ATOM 38 C LYS A1860 -7.299 34.268 -9.109 1.00 34.00 C ATOM 39 O LYS A1860 -7.838 35.363 -8.943 1.00 33.99 O ATOM 40 CB LYS A1860 -6.443 34.009 -11.412 1.00 31.07 C ATOM 41 CG LYS A1860 -6.445 33.298 -12.751 1.00 31.76 C ATOM 42 CD LYS A1860 -5.959 31.857 -12.666 1.00 36.28 C ATOM 43 CE LYS A1860 -6.529 31.072 -13.814 1.00 38.24 C ATOM 44 NZ LYS A1860 -6.388 29.616 -13.575 1.00 56.31 N ATOM 45 HZ1 LYS A1860 -5.381 29.379 -13.472 1.00 0.00 H ATOM 46 HZ2 LYS A1860 -6.897 29.358 -12.705 1.00 0.00 H ATOM 47 HZ3 LYS A1860 -6.788 29.093 -14.380 1.00 0.00 H ATOM 48 H LYS A1860 -9.218 34.635 -11.109 1.00 0.00 H ATOM 49 N LYS A1861 -6.460 33.700 -8.225 1.00 32.36 N ATOM 50 CA LYS A1861 -6.037 34.341 -6.982 1.00 34.50 C ATOM 51 C LYS A1861 -5.190 35.560 -7.345 1.00 40.90 C ATOM 52 O LYS A1861 -4.630 35.563 -8.452 1.00 40.45 O ATOM 53 CB LYS A1861 -5.195 33.371 -6.125 1.00 38.47 C ATOM 54 CG LYS A1861 -5.955 32.303 -5.358 1.00 50.95 C ATOM 55 CD LYS A1861 -5.021 31.632 -4.329 1.00 59.00 C ATOM 56 CE LYS A1861 -5.525 30.326 -3.751 1.00 63.98 C ATOM 57 NZ LYS A1861 -5.626 29.255 -4.781 1.00 71.92 N ATOM 58 HZ1 LYS A1861 -6.286 29.554 -5.527 1.00 0.00 H ATOM 59 HZ2 LYS A1861 -4.687 29.084 -5.195 1.00 0.00 H ATOM 60 HZ3 LYS A1861 -5.975 28.381 -4.338 1.00 0.00 H ATOM 61 H LYS A1861 -6.091 32.751 -8.438 1.00 0.00 H ATOM 62 N PRO A1862 -5.039 36.590 -6.469 1.00 39.67 N ATOM 63 CA PRO A1862 -4.157 37.720 -6.824 1.00 40.79 C ATOM 64 C PRO A1862 -2.761 37.207 -7.210 1.00 45.20 C ATOM 65 O PRO A1862 -2.241 36.286 -6.562 1.00 44.29 O ATOM 66 CB PRO A1862 -4.137 38.571 -5.550 1.00 43.59 C ATOM 67 CG PRO A1862 -5.376 38.199 -4.821 1.00 47.25 C ATOM 68 CD PRO A1862 -5.607 36.757 -5.115 1.00 41.54 C ATOM 69 N LYS A1863 -2.216 37.733 -8.328 1.00 42.63 N ATOM 70 CA LYS A1863 -0.957 37.298 -8.941 1.00 43.75 C ATOM 71 C LYS A1863 0.279 37.581 -8.072 1.00 49.82 C ATOM 72 O LYS A1863 0.597 38.737 -7.774 1.00 51.27 O ATOM 73 CB LYS A1863 -0.782 37.922 -10.335 1.00 46.45 C ATOM 74 H LYS A1863 -2.731 38.509 -8.791 1.00 0.00 H ATOM 75 N ARG A1864 0.967 36.496 -7.671 1.00 49.62 N ATOM 76 CA ARG A1864 2.182 36.535 -6.858 1.00 48.10 C ATOM 77 C ARG A1864 3.406 36.872 -7.722 1.00 50.58 C ATOM 78 O ARG A1864 3.556 36.322 -8.819 1.00 49.10 O ATOM 79 CB ARG A1864 2.393 35.188 -6.152 1.00 46.13 C ATOM 80 CG ARG A1864 3.638 35.145 -5.288 1.00 47.37 C ATOM 81 CD ARG A1864 4.042 33.734 -4.947 1.00 46.74 C ATOM 82 NE ARG A1864 5.369 33.710 -4.332 1.00 47.69 N ATOM 83 CZ ARG A1864 6.483 33.337 -4.957 1.00 56.45 C ATOM 84 NH1 ARG A1864 6.439 32.923 -6.220 1.00 33.58 N ATOM 85 NH2 ARG A1864 7.645 33.353 -4.319 1.00 43.53 N ATOM 86 HE ARG A1864 5.447 34.005 -3.338 1.00 0.00 H ATOM 87 HH12 ARG A1864 7.313 32.633 -6.703 1.00 0.00 H ATOM 88 HH11 ARG A1864 5.530 32.889 -6.725 1.00 0.00 H ATOM 89 HH22 ARG A1864 8.513 33.061 -4.812 1.00 0.00 H ATOM 90 HH21 ARG A1864 7.689 33.658 -3.326 1.00 0.00 H ATOM 91 H ARG A1864 0.609 35.563 -7.960 1.00 0.00 H ATOM 92 N ASP A1865 4.286 37.763 -7.213 1.00 47.01 N ATOM 93 CA ASP A1865 5.522 38.129 -7.906 1.00 45.67 C ATOM 94 C ASP A1865 6.512 36.965 -7.756 1.00 45.85 C ATOM 95 O ASP A1865 6.976 36.681 -6.654 1.00 45.53 O ATOM 96 CB ASP A1865 6.103 39.460 -7.378 1.00 48.11 C ATOM 97 CG ASP A1865 7.309 39.993 -8.140 1.00 54.94 C ATOM 98 OD1 ASP A1865 7.707 39.365 -9.147 1.00 54.12 O ATOM 99 OD2 ASP A1865 7.859 41.032 -7.726 1.00 61.78 O ATOM 100 H ASP A1865 4.077 38.205 -6.295 1.00 0.00 H ATOM 101 N ASP A1866 6.767 36.252 -8.858 1.00 39.53 N ATOM 102 CA ASP A1866 7.666 35.098 -8.870 1.00 36.64 C ATOM 103 C ASP A1866 8.963 35.409 -9.629 1.00 37.30 C ATOM 104 O ASP A1866 9.747 34.487 -9.888 1.00 36.09 O ATOM 105 CB ASP A1866 6.944 33.882 -9.496 1.00 37.80 C ATOM 106 CG ASP A1866 6.469 34.073 -10.926 1.00 48.42 C ATOM 107 OD1 ASP A1866 6.230 35.235 -11.327 1.00 51.10 O ATOM 108 OD2 ASP A1866 6.288 33.061 -11.628 1.00 55.67 O ATOM 109 H ASP A1866 6.305 36.531 -9.747 1.00 0.00 H ATOM 110 N SER A1867 9.197 36.701 -9.964 1.00 32.43 N ATOM 111 CA SER A1867 10.342 37.161 -10.759 1.00 31.95 C ATOM 112 C SER A1867 11.683 37.030 -10.031 1.00 34.44 C ATOM 113 O SER A1867 12.723 36.986 -10.691 1.00 33.96 O ATOM 114 CB SER A1867 10.145 38.607 -11.207 1.00 36.53 C ATOM 115 OG SER A1867 10.134 39.499 -10.104 1.00 43.50 O ATOM 116 HG SER A1867 9.394 39.257 -9.493 1.00 0.00 H ATOM 117 H SER A1867 8.518 37.417 -9.635 1.00 0.00 H ATOM 118 N LYS A1868 11.654 36.931 -8.694 1.00 30.23 N ATOM 119 CA LYS A1868 12.856 36.824 -7.865 1.00 29.70 C ATOM 120 C LYS A1868 13.126 35.392 -7.383 1.00 31.69 C ATOM 121 O LYS A1868 14.179 35.154 -6.811 1.00 32.65 O ATOM 122 CB LYS A1868 12.752 37.777 -6.653 1.00 33.48 C ATOM 123 CG LYS A1868 12.801 39.255 -7.038 1.00 46.13 C ATOM 124 CD LYS A1868 12.898 40.160 -5.819 1.00 59.46 C ATOM 125 H LYS A1868 10.728 36.930 -8.221 1.00 0.00 H ATOM 126 N ASP A1869 12.211 34.444 -7.641 1.00 26.15 N ATOM 127 CA ASP A1869 12.315 33.042 -7.210 1.00 24.01 C ATOM 128 C ASP A1869 13.600 32.362 -7.651 1.00 25.70 C ATOM 129 O ASP A1869 14.249 31.714 -6.823 1.00 24.21 O ATOM 130 CB ASP A1869 11.106 32.235 -7.703 1.00 25.14 C ATOM 131 CG ASP A1869 9.801 32.587 -7.010 1.00 32.33 C ATOM 132 OD1 ASP A1869 9.799 33.532 -6.176 1.00 32.28 O ATOM 133 OD2 ASP A1869 8.768 31.971 -7.345 1.00 35.11 O ATOM 134 H ASP A1869 11.369 34.721 -8.184 1.00 0.00 H ATOM 135 N LEU A1870 13.981 32.516 -8.935 1.00 22.47 N ATOM 136 CA LEU A1870 15.193 31.895 -9.483 1.00 20.84 C ATOM 137 C LEU A1870 16.460 32.315 -8.704 1.00 26.63 C ATOM 138 O LEU A1870 17.234 31.444 -8.304 1.00 26.44 O ATOM 139 CB LEU A1870 15.351 32.197 -10.980 1.00 20.72 C ATOM 140 CG LEU A1870 16.515 31.510 -11.711 1.00 23.77 C ATOM 141 CD1 LEU A1870 16.405 29.957 -11.606 1.00 23.37 C ATOM 142 CD2 LEU A1870 16.539 31.923 -13.176 1.00 23.50 C ATOM 143 H LEU A1870 13.392 33.099 -9.563 1.00 0.00 H ATOM 144 N ALA A1871 16.658 33.624 -8.497 1.00 25.01 N ATOM 145 CA ALA A1871 17.791 34.201 -7.764 1.00 24.86 C ATOM 146 C ALA A1871 17.762 33.808 -6.273 1.00 27.09 C ATOM 147 O ALA A1871 18.811 33.580 -5.684 1.00 27.19 O ATOM 148 CB ALA A1871 17.775 35.724 -7.906 1.00 27.04 C ATOM 149 H ALA A1871 15.954 34.283 -8.886 1.00 0.00 H ATOM 150 N LEU A1872 16.573 33.772 -5.661 1.00 23.62 N ATOM 151 CA LEU A1872 16.390 33.391 -4.256 1.00 23.44 C ATOM 152 C LEU A1872 16.737 31.902 -4.028 1.00 25.46 C ATOM 153 O LEU A1872 17.373 31.571 -3.020 1.00 25.25 O ATOM 154 CB LEU A1872 14.948 33.685 -3.796 1.00 23.84 C ATOM 155 CG LEU A1872 14.622 35.157 -3.576 1.00 29.65 C ATOM 156 CD1 LEU A1872 13.118 35.364 -3.371 1.00 30.62 C ATOM 157 CD2 LEU A1872 15.444 35.753 -2.424 1.00 31.91 C ATOM 158 H LEU A1872 15.730 34.029 -6.213 1.00 0.00 H ATOM 159 N CYS A1873 16.360 31.023 -4.990 1.00 21.41 N ATOM 160 CA CYS A1873 16.666 29.589 -4.958 1.00 20.17 C ATOM 161 C CYS A1873 18.163 29.385 -5.134 1.00 24.13 C ATOM 162 O CYS A1873 18.723 28.526 -4.469 1.00 25.08 O ATOM 163 CB CYS A1873 15.866 28.819 -6.002 1.00 20.05 C ATOM 164 SG CYS A1873 14.135 28.544 -5.544 1.00 24.33 S ATOM 165 H CYS A1873 15.821 31.389 -5.800 1.00 0.00 H ATOM 166 N SER A1874 18.812 30.197 -5.993 1.00 22.06 N ATOM 167 CA SER A1874 20.269 30.177 -6.210 1.00 22.53 C ATOM 168 C SER A1874 20.999 30.566 -4.901 1.00 27.77 C ATOM 169 O SER A1874 21.962 29.916 -4.503 1.00 27.64 O ATOM 170 CB SER A1874 20.656 31.118 -7.348 1.00 24.79 C ATOM 171 OG SER A1874 22.034 31.015 -7.664 1.00 31.97 O ATOM 172 HG SER A1874 22.249 31.637 -8.404 1.00 0.00 H ATOM 173 H SER A1874 18.248 30.881 -6.537 1.00 0.00 H ATOM 174 N MET A1875 20.499 31.597 -4.226 1.00 26.14 N ATOM 175 CA MET A1875 21.009 32.074 -2.948 1.00 26.93 C ATOM 176 C MET A1875 20.932 30.946 -1.906 1.00 27.12 C ATOM 177 O MET A1875 21.938 30.652 -1.270 1.00 27.07 O ATOM 178 CB MET A1875 20.203 33.302 -2.500 1.00 30.53 C ATOM 179 CG MET A1875 20.756 34.003 -1.281 1.00 36.14 C ATOM 180 SD MET A1875 19.954 35.611 -0.996 1.00 42.15 S ATOM 181 CE MET A1875 20.297 36.444 -2.563 1.00 39.26 C ATOM 182 H MET A1875 19.687 32.098 -4.640 1.00 0.00 H ATOM 183 N ILE A1876 19.761 30.292 -1.770 1.00 22.65 N ATOM 184 CA ILE A1876 19.568 29.189 -0.812 1.00 21.28 C ATOM 185 C ILE A1876 20.546 28.041 -1.142 1.00 22.81 C ATOM 186 O ILE A1876 21.174 27.506 -0.224 1.00 21.50 O ATOM 187 CB ILE A1876 18.075 28.714 -0.733 1.00 23.92 C ATOM 188 CG1 ILE A1876 17.169 29.840 -0.170 1.00 24.16 C ATOM 189 CG2 ILE A1876 17.921 27.418 0.110 1.00 24.14 C ATOM 190 CD1 ILE A1876 15.617 29.634 -0.370 1.00 25.85 C ATOM 191 H ILE A1876 18.959 30.578 -2.367 1.00 0.00 H ATOM 192 N LEU A1877 20.701 27.692 -2.446 1.00 19.25 N ATOM 193 CA LEU A1877 21.600 26.618 -2.870 1.00 18.21 C ATOM 194 C LEU A1877 23.067 26.950 -2.548 1.00 22.49 C ATOM 195 O LEU A1877 23.800 26.050 -2.131 1.00 21.77 O ATOM 196 CB LEU A1877 21.441 26.306 -4.370 1.00 17.78 C ATOM 197 CG LEU A1877 22.172 25.040 -4.887 1.00 21.16 C ATOM 198 CD1 LEU A1877 21.786 23.790 -4.085 1.00 19.95 C ATOM 199 CD2 LEU A1877 21.878 24.834 -6.362 1.00 20.88 C ATOM 200 H LEU A1877 20.161 28.207 -3.170 1.00 0.00 H ATOM 201 N THR A1878 23.486 28.223 -2.730 1.00 19.54 N ATOM 202 CA THR A1878 24.849 28.702 -2.411 1.00 20.37 C ATOM 203 C THR A1878 25.112 28.544 -0.900 1.00 25.53 C ATOM 204 O THR A1878 26.195 28.110 -0.490 1.00 25.81 O ATOM 205 CB THR A1878 25.016 30.164 -2.877 1.00 28.22 C ATOM 206 OG1 THR A1878 24.832 30.203 -4.296 1.00 28.93 O ATOM 207 CG2 THR A1878 26.397 30.762 -2.500 1.00 22.86 C ATOM 208 HG1 THR A1878 23.925 29.875 -4.519 1.00 0.00 H ATOM 209 H THR A1878 22.807 28.908 -3.119 1.00 0.00 H ATOM 210 N GLU A1879 24.095 28.858 -0.082 1.00 21.74 N ATOM 211 CA GLU A1879 24.161 28.726 1.372 1.00 21.73 C ATOM 212 C GLU A1879 24.279 27.237 1.752 1.00 25.32 C ATOM 213 O GLU A1879 25.039 26.908 2.660 1.00 25.28 O ATOM 214 CB GLU A1879 22.952 29.398 2.017 1.00 23.38 C ATOM 215 CG GLU A1879 23.053 30.916 1.942 1.00 31.36 C ATOM 216 CD GLU A1879 21.800 31.728 2.197 1.00 52.41 C ATOM 217 OE1 GLU A1879 20.788 31.145 2.639 1.00 36.40 O ATOM 218 OE2 GLU A1879 21.823 32.952 1.934 1.00 61.50 O ATOM 219 H GLU A1879 23.214 29.214 -0.505 1.00 0.00 H ATOM 220 N MET A1880 23.561 26.348 1.013 1.00 20.40 N ATOM 221 CA MET A1880 23.606 24.885 1.187 1.00 18.86 C ATOM 222 C MET A1880 25.002 24.370 0.869 1.00 23.92 C ATOM 223 O MET A1880 25.587 23.658 1.678 1.00 22.92 O ATOM 224 CB MET A1880 22.588 24.149 0.276 1.00 19.27 C ATOM 225 CG MET A1880 21.123 24.359 0.609 1.00 21.29 C ATOM 226 SD MET A1880 20.672 24.033 2.320 1.00 24.71 S ATOM 227 CE MET A1880 20.091 25.630 2.736 1.00 22.82 C ATOM 228 H MET A1880 22.936 26.728 0.273 1.00 0.00 H ATOM 229 N GLU A1881 25.540 24.769 -0.309 1.00 22.02 N ATOM 230 CA GLU A1881 26.852 24.350 -0.839 1.00 22.51 C ATOM 231 C GLU A1881 28.025 24.741 0.039 1.00 26.68 C ATOM 232 O GLU A1881 29.032 24.049 -0.009 1.00 27.60 O ATOM 233 CB GLU A1881 27.106 24.946 -2.235 1.00 23.80 C ATOM 234 CG GLU A1881 26.266 24.344 -3.355 1.00 28.56 C ATOM 235 CD GLU A1881 26.127 25.207 -4.596 1.00 38.12 C ATOM 236 OE1 GLU A1881 26.474 26.413 -4.563 1.00 32.75 O ATOM 237 OE2 GLU A1881 25.597 24.682 -5.596 1.00 33.68 O ATOM 238 H GLU A1881 24.981 25.427 -0.889 1.00 0.00 H ATOM 239 N THR A1882 27.921 25.852 0.799 1.00 23.62 N ATOM 240 CA THR A1882 29.017 26.389 1.607 1.00 24.40 C ATOM 241 C THR A1882 28.950 25.986 3.106 1.00 29.02 C ATOM 242 O THR A1882 29.922 26.232 3.823 1.00 29.88 O ATOM 243 CB THR A1882 29.153 27.912 1.417 1.00 27.08 C ATOM 244 OG1 THR A1882 27.946 28.553 1.784 1.00 29.41 O ATOM 245 CG2 THR A1882 29.512 28.287 -0.024 1.00 23.85 C ATOM 246 HG1 THR A1882 27.209 28.217 1.215 1.00 0.00 H ATOM 247 H THR A1882 27.011 26.355 0.811 1.00 0.00 H ATOM 248 N HIS A1883 27.867 25.315 3.555 1.00 24.29 N ATOM 249 CA HIS A1883 27.740 24.765 4.918 1.00 24.08 C ATOM 250 C HIS A1883 28.817 23.700 5.091 1.00 28.19 C ATOM 251 O HIS A1883 29.085 22.952 4.142 1.00 26.38 O ATOM 252 CB HIS A1883 26.345 24.145 5.088 1.00 23.49 C ATOM 253 CG HIS A1883 25.922 23.851 6.494 1.00 26.62 C ATOM 254 ND1 HIS A1883 26.535 22.858 7.248 1.00 28.23 N ATOM 255 CD2 HIS A1883 24.858 24.325 7.183 1.00 27.57 C ATOM 256 CE1 HIS A1883 25.872 22.811 8.389 1.00 27.94 C ATOM 257 NE2 HIS A1883 24.851 23.676 8.396 1.00 28.36 N ATOM 258 H HIS A1883 27.072 25.177 2.898 1.00 0.00 H ATOM 259 N GLU A1884 29.460 23.642 6.263 1.00 25.24 N ATOM 260 CA GLU A1884 30.538 22.677 6.477 1.00 25.21 C ATOM 261 C GLU A1884 30.059 21.205 6.409 1.00 27.24 C ATOM 262 O GLU A1884 30.873 20.339 6.071 1.00 27.75 O ATOM 263 CB GLU A1884 31.319 22.956 7.770 1.00 28.09 C ATOM 264 CG GLU A1884 30.536 22.855 9.068 1.00 40.35 C ATOM 265 CD GLU A1884 31.398 22.865 10.323 1.00 63.48 C ATOM 266 OE1 GLU A1884 32.462 22.202 10.331 1.00 69.68 O ATOM 267 OE2 GLU A1884 30.973 23.480 11.326 1.00 53.45 O ATOM 268 H GLU A1884 29.190 24.290 7.030 1.00 0.00 H ATOM 269 N ASP A1885 28.759 20.924 6.652 1.00 21.48 N ATOM 270 CA ASP A1885 28.231 19.550 6.562 1.00 20.42 C ATOM 271 C ASP A1885 27.645 19.232 5.173 1.00 23.26 C ATOM 272 O ASP A1885 26.906 18.259 5.033 1.00 22.45 O ATOM 273 CB ASP A1885 27.159 19.306 7.630 1.00 22.22 C ATOM 274 CG ASP A1885 27.614 19.502 9.059 1.00 28.33 C ATOM 275 OD1 ASP A1885 28.840 19.424 9.316 1.00 30.13 O ATOM 276 OD2 ASP A1885 26.752 19.688 9.923 1.00 31.57 O ATOM 277 H ASP A1885 28.114 21.698 6.909 1.00 0.00 H ATOM 278 N ALA A1886 27.963 20.052 4.153 1.00 20.71 N ATOM 279 CA ALA A1886 27.472 19.841 2.787 1.00 19.95 C ATOM 280 C ALA A1886 28.280 18.795 2.029 1.00 23.55 C ATOM 281 O ALA A1886 27.777 18.265 1.046 1.00 23.16 O ATOM 282 CB ALA A1886 27.507 21.141 2.019 1.00 20.16 C ATOM 283 H ALA A1886 28.581 20.867 4.341 1.00 0.00 H ATOM 284 N TRP A1887 29.520 18.478 2.498 1.00 20.34 N ATOM 285 CA TRP A1887 30.464 17.580 1.833 1.00 19.57 C ATOM 286 C TRP A1887 29.851 16.229 1.363 1.00 22.36 C ATOM 287 O TRP A1887 30.235 15.826 0.265 1.00 21.80 O ATOM 288 CB TRP A1887 31.746 17.347 2.666 1.00 19.09 C ATOM 289 CG TRP A1887 31.514 16.737 4.013 1.00 19.90 C ATOM 290 CD1 TRP A1887 31.301 17.401 5.185 1.00 22.78 C ATOM 291 CD2 TRP A1887 31.490 15.332 4.334 1.00 19.94 C ATOM 292 NE1 TRP A1887 31.064 16.505 6.197 1.00 22.80 N ATOM 293 CE2 TRP A1887 31.183 15.226 5.708 1.00 24.00 C ATOM 294 CE3 TRP A1887 31.622 14.148 3.575 1.00 20.77 C ATOM 295 CZ2 TRP A1887 31.016 13.983 6.348 1.00 24.08 C ATOM 296 CZ3 TRP A1887 31.471 12.918 4.211 1.00 22.28 C ATOM 297 CH2 TRP A1887 31.194 12.842 5.584 1.00 23.31 C ATOM 298 HE1 TRP A1887 30.831 16.754 7.179 1.00 0.00 H ATOM 299 H TRP A1887 29.818 18.907 3.397 1.00 0.00 H ATOM 300 N PRO A1888 28.904 15.516 2.054 1.00 17.78 N ATOM 301 CA PRO A1888 28.394 14.268 1.454 1.00 16.86 C ATOM 302 C PRO A1888 27.509 14.502 0.227 1.00 20.02 C ATOM 303 O PRO A1888 27.273 13.549 -0.525 1.00 18.12 O ATOM 304 CB PRO A1888 27.547 13.642 2.584 1.00 18.51 C ATOM 305 CG PRO A1888 27.964 14.352 3.860 1.00 21.88 C ATOM 306 CD PRO A1888 28.294 15.745 3.385 1.00 17.26 C ATOM 307 N PHE A1889 26.986 15.746 0.044 1.00 17.94 N ATOM 308 CA PHE A1889 25.986 16.055 -0.998 1.00 17.56 C ATOM 309 C PHE A1889 26.455 16.939 -2.140 1.00 21.64 C ATOM 310 O PHE A1889 25.646 17.299 -2.996 1.00 21.08 O ATOM 311 CB PHE A1889 24.768 16.715 -0.337 1.00 18.75 C ATOM 312 CG PHE A1889 24.435 16.104 1.007 1.00 19.54 C ATOM 313 CD1 PHE A1889 23.903 14.819 1.095 1.00 20.92 C ATOM 314 CD2 PHE A1889 24.723 16.786 2.190 1.00 20.95 C ATOM 315 CE1 PHE A1889 23.619 14.241 2.337 1.00 21.56 C ATOM 316 CE2 PHE A1889 24.424 16.216 3.432 1.00 23.22 C ATOM 317 CZ PHE A1889 23.890 14.938 3.497 1.00 21.68 C ATOM 318 H PHE A1889 27.306 16.515 0.667 1.00 0.00 H ATOM 319 N LEU A1890 27.726 17.309 -2.157 1.00 19.68 N ATOM 320 CA LEU A1890 28.250 18.232 -3.164 1.00 19.94 C ATOM 321 C LEU A1890 28.232 17.657 -4.577 1.00 24.75 C ATOM 322 O LEU A1890 27.900 18.380 -5.523 1.00 23.78 O ATOM 323 CB LEU A1890 29.686 18.661 -2.803 1.00 20.53 C ATOM 324 CG LEU A1890 29.802 19.555 -1.561 1.00 25.00 C ATOM 325 CD1 LEU A1890 31.244 19.996 -1.346 1.00 24.66 C ATOM 326 CD2 LEU A1890 28.847 20.782 -1.652 1.00 24.13 C ATOM 327 H LEU A1890 28.371 16.932 -1.433 1.00 0.00 H ATOM 328 N LEU A1891 28.600 16.372 -4.713 1.00 20.50 N ATOM 329 CA LEU A1891 28.700 15.699 -5.997 1.00 20.77 C ATOM 330 C LEU A1891 27.893 14.419 -6.002 1.00 23.81 C ATOM 331 O LEU A1891 27.536 13.934 -4.917 1.00 22.94 O ATOM 332 CB LEU A1891 30.177 15.402 -6.313 1.00 21.77 C ATOM 333 CG LEU A1891 31.078 16.627 -6.576 1.00 27.65 C ATOM 334 CD1 LEU A1891 32.522 16.201 -6.738 1.00 29.29 C ATOM 335 CD2 LEU A1891 30.635 17.393 -7.839 1.00 28.80 C ATOM 336 H LEU A1891 28.825 15.830 -3.854 1.00 0.00 H ATOM 337 N PRO A1892 27.521 13.875 -7.193 1.00 19.98 N ATOM 338 CA PRO A1892 26.780 12.609 -7.186 1.00 19.84 C ATOM 339 C PRO A1892 27.549 11.528 -6.432 1.00 24.28 C ATOM 340 O PRO A1892 28.783 11.471 -6.518 1.00 23.93 O ATOM 341 CB PRO A1892 26.664 12.238 -8.679 1.00 22.31 C ATOM 342 CG PRO A1892 26.898 13.491 -9.422 1.00 26.26 C ATOM 343 CD PRO A1892 27.820 14.321 -8.576 1.00 21.54 C ATOM 344 N VAL A1893 26.824 10.684 -5.672 1.00 20.77 N ATOM 345 CA VAL A1893 27.424 9.507 -5.034 1.00 21.19 C ATOM 346 C VAL A1893 27.962 8.634 -6.185 1.00 26.40 C ATOM 347 O VAL A1893 27.242 8.401 -7.167 1.00 24.55 O ATOM 348 CB VAL A1893 26.436 8.739 -4.120 1.00 23.54 C ATOM 349 CG1 VAL A1893 27.054 7.445 -3.593 1.00 23.81 C ATOM 350 CG2 VAL A1893 25.953 9.615 -2.969 1.00 22.13 C ATOM 351 H VAL A1893 25.811 10.872 -5.534 1.00 0.00 H ATOM 352 N ASN A1894 29.244 8.241 -6.100 1.00 25.41 N ATOM 353 CA ASN A1894 29.892 7.428 -7.133 1.00 26.41 C ATOM 354 C ASN A1894 29.339 6.002 -7.112 1.00 28.75 C ATOM 355 O ASN A1894 29.689 5.202 -6.240 1.00 27.88 O ATOM 356 CB ASN A1894 31.412 7.441 -6.962 1.00 29.67 C ATOM 357 CG ASN A1894 32.166 6.820 -8.107 1.00 40.22 C ATOM 358 OD1 ASN A1894 31.746 5.826 -8.702 1.00 31.63 O ATOM 359 ND2 ASN A1894 33.318 7.378 -8.418 1.00 33.84 N ATOM 360 HD22 ASN A1894 33.647 8.217 -7.898 1.00 0.00 H ATOM 361 HD21 ASN A1894 33.899 6.980 -9.183 1.00 0.00 H ATOM 362 H ASN A1894 29.799 8.525 -5.268 1.00 0.00 H ATOM 363 N LEU A1895 28.506 5.693 -8.117 1.00 23.64 N ATOM 364 CA LEU A1895 27.794 4.428 -8.293 1.00 23.65 C ATOM 365 C LEU A1895 28.716 3.256 -8.556 1.00 32.40 C ATOM 366 O LEU A1895 28.329 2.127 -8.271 1.00 34.43 O ATOM 367 CB LEU A1895 26.757 4.538 -9.417 1.00 22.89 C ATOM 368 CG LEU A1895 25.727 5.671 -9.257 1.00 26.16 C ATOM 369 CD1 LEU A1895 24.845 5.776 -10.485 1.00 25.80 C ATOM 370 CD2 LEU A1895 24.879 5.496 -7.981 1.00 24.64 C ATOM 371 H LEU A1895 28.352 6.424 -8.841 1.00 0.00 H ATOM 372 N LYS A1896 29.924 3.508 -9.061 1.00 30.74 N ATOM 373 CA LYS A1896 30.899 2.450 -9.308 1.00 32.64 C ATOM 374 C LYS A1896 31.635 2.072 -8.026 1.00 36.40 C ATOM 375 O LYS A1896 32.026 0.918 -7.880 1.00 37.73 O ATOM 376 CB LYS A1896 31.920 2.893 -10.374 1.00 36.49 C ATOM 377 CG LYS A1896 31.427 2.800 -11.808 1.00 51.49 C ATOM 378 CD LYS A1896 32.289 3.666 -12.724 1.00 64.76 C ATOM 379 CE LYS A1896 31.961 3.502 -14.188 1.00 76.71 C ATOM 380 NZ LYS A1896 32.632 4.540 -15.017 1.00 86.85 N ATOM 381 HZ1 LYS A1896 32.316 5.483 -14.712 1.00 0.00 H ATOM 382 HZ2 LYS A1896 33.662 4.463 -14.899 1.00 0.00 H ATOM 383 HZ3 LYS A1896 32.384 4.397 -16.017 1.00 0.00 H ATOM 384 H LYS A1896 30.180 4.490 -9.286 1.00 0.00 H ATOM 385 N LEU A1897 31.853 3.046 -7.115 1.00 31.79 N ATOM 386 CA LEU A1897 32.625 2.857 -5.887 1.00 31.25 C ATOM 387 C LEU A1897 31.791 2.546 -4.647 1.00 32.34 C ATOM 388 O LEU A1897 32.375 2.139 -3.640 1.00 33.09 O ATOM 389 CB LEU A1897 33.506 4.092 -5.591 1.00 31.46 C ATOM 390 CG LEU A1897 34.609 4.467 -6.624 1.00 37.89 C ATOM 391 CD1 LEU A1897 35.355 5.708 -6.192 1.00 37.50 C ATOM 392 CD2 LEU A1897 35.595 3.312 -6.866 1.00 42.21 C ATOM 393 H LEU A1897 31.448 3.986 -7.298 1.00 0.00 H ATOM 394 N VAL A1898 30.460 2.762 -4.687 1.00 25.85 N ATOM 395 CA VAL A1898 29.585 2.545 -3.522 1.00 23.41 C ATOM 396 C VAL A1898 28.582 1.400 -3.833 1.00 26.23 C ATOM 397 O VAL A1898 27.545 1.628 -4.482 1.00 23.27 O ATOM 398 CB VAL A1898 28.873 3.858 -3.057 1.00 25.23 C ATOM 399 CG1 VAL A1898 28.049 3.634 -1.784 1.00 24.57 C ATOM 400 CG2 VAL A1898 29.881 4.997 -2.845 1.00 24.41 C ATOM 401 H VAL A1898 30.035 3.095 -5.576 1.00 0.00 H ATOM 402 N PRO A1899 28.879 0.167 -3.351 1.00 23.06 N ATOM 403 CA PRO A1899 27.962 -0.969 -3.602 1.00 23.83 C ATOM 404 C PRO A1899 26.551 -0.747 -3.055 1.00 26.07 C ATOM 405 O PRO A1899 26.362 -0.100 -2.031 1.00 23.82 O ATOM 406 CB PRO A1899 28.644 -2.150 -2.889 1.00 26.47 C ATOM 407 CG PRO A1899 30.087 -1.761 -2.792 1.00 30.63 C ATOM 408 CD PRO A1899 30.079 -0.268 -2.604 1.00 25.37 C ATOM 409 N GLY A1900 25.567 -1.228 -3.802 1.00 22.86 N ATOM 410 CA GLY A1900 24.164 -1.114 -3.431 1.00 22.15 C ATOM 411 C GLY A1900 23.474 0.188 -3.758 1.00 24.30 C ATOM 412 O GLY A1900 22.258 0.192 -3.907 1.00 24.26 O ATOM 413 H GLY A1900 25.808 -1.708 -4.693 1.00 0.00 H ATOM 414 N TYR A1901 24.226 1.288 -3.913 1.00 20.87 N ATOM 415 CA TYR A1901 23.645 2.614 -4.120 1.00 19.95 C ATOM 416 C TYR A1901 22.804 2.728 -5.400 1.00 24.19 C ATOM 417 O TYR A1901 21.688 3.259 -5.336 1.00 24.53 O ATOM 418 CB TYR A1901 24.718 3.728 -4.079 1.00 20.19 C ATOM 419 CG TYR A1901 24.105 5.059 -3.695 1.00 20.98 C ATOM 420 CD1 TYR A1901 23.947 5.414 -2.357 1.00 22.40 C ATOM 421 CD2 TYR A1901 23.587 5.920 -4.663 1.00 21.12 C ATOM 422 CE1 TYR A1901 23.372 6.633 -1.994 1.00 23.09 C ATOM 423 CE2 TYR A1901 22.983 7.133 -4.310 1.00 21.55 C ATOM 424 CZ TYR A1901 22.858 7.472 -2.971 1.00 25.52 C ATOM 425 OH TYR A1901 22.269 8.659 -2.603 1.00 22.73 O ATOM 426 HH TYR A1901 22.266 8.733 -1.616 1.00 0.00 H ATOM 427 H TYR A1901 25.261 1.194 -3.885 1.00 0.00 H ATOM 428 N LYS A1902 23.331 2.255 -6.549 1.00 21.61 N ATOM 429 CA LYS A1902 22.631 2.330 -7.839 1.00 21.07 C ATOM 430 C LYS A1902 21.333 1.521 -7.813 1.00 26.44 C ATOM 431 O LYS A1902 20.308 1.967 -8.342 1.00 24.57 O ATOM 432 CB LYS A1902 23.535 1.850 -8.980 1.00 21.85 C ATOM 433 CG LYS A1902 22.998 2.194 -10.367 1.00 29.91 C ATOM 434 CD LYS A1902 23.941 1.702 -11.455 1.00 39.55 C ATOM 435 CE LYS A1902 23.532 2.097 -12.859 1.00 47.06 C ATOM 436 NZ LYS A1902 22.231 1.505 -13.259 1.00 60.19 N ATOM 437 HZ1 LYS A1902 22.298 0.468 -13.224 1.00 0.00 H ATOM 438 HZ2 LYS A1902 21.489 1.828 -12.606 1.00 0.00 H ATOM 439 HZ3 LYS A1902 21.997 1.806 -14.227 1.00 0.00 H ATOM 440 H LYS A1902 24.274 1.818 -6.520 1.00 0.00 H ATOM 441 N LYS A1903 21.384 0.338 -7.188 1.00 24.55 N ATOM 442 CA LYS A1903 20.229 -0.536 -7.079 1.00 24.03 C ATOM 443 C LYS A1903 19.193 0.024 -6.111 1.00 26.77 C ATOM 444 O LYS A1903 18.017 0.061 -6.457 1.00 26.48 O ATOM 445 CB LYS A1903 20.647 -1.959 -6.648 1.00 25.58 C ATOM 446 CG LYS A1903 19.498 -2.973 -6.666 1.00 27.09 C ATOM 447 CD LYS A1903 18.827 -3.061 -8.044 1.00 24.90 C ATOM 448 CE LYS A1903 17.610 -3.948 -8.044 1.00 27.36 C ATOM 449 NZ LYS A1903 17.988 -5.370 -8.195 1.00 25.57 N ATOM 450 HZ1 LYS A1903 18.495 -5.499 -9.094 1.00 0.00 H ATOM 451 HZ2 LYS A1903 18.604 -5.649 -7.405 1.00 0.00 H ATOM 452 HZ3 LYS A1903 17.130 -5.958 -8.192 1.00 0.00 H ATOM 453 H LYS A1903 22.284 0.034 -6.765 1.00 0.00 H ATOM 454 N VAL A1904 19.611 0.426 -4.901 1.00 23.95 N ATOM 455 CA VAL A1904 18.678 0.906 -3.871 1.00 23.48 C ATOM 456 C VAL A1904 18.108 2.311 -4.177 1.00 25.59 C ATOM 457 O VAL A1904 16.899 2.510 -4.065 1.00 26.59 O ATOM 458 CB VAL A1904 19.359 0.871 -2.481 1.00 26.78 C ATOM 459 CG1 VAL A1904 18.512 1.554 -1.404 1.00 25.57 C ATOM 460 CG2 VAL A1904 19.693 -0.561 -2.088 1.00 26.80 C ATOM 461 H VAL A1904 20.628 0.397 -4.685 1.00 0.00 H ATOM 462 N ILE A1905 18.954 3.277 -4.507 1.00 21.15 N ATOM 463 CA ILE A1905 18.495 4.672 -4.681 1.00 21.02 C ATOM 464 C ILE A1905 18.088 4.913 -6.139 1.00 25.91 C ATOM 465 O ILE A1905 18.933 5.098 -7.011 1.00 26.74 O ATOM 466 CB ILE A1905 19.603 5.626 -4.166 1.00 23.13 C ATOM 467 CG1 ILE A1905 20.068 5.241 -2.723 1.00 22.66 C ATOM 468 CG2 ILE A1905 19.240 7.110 -4.327 1.00 21.72 C ATOM 469 CD1 ILE A1905 19.028 5.445 -1.537 1.00 20.69 C ATOM 470 H ILE A1905 19.959 3.049 -4.646 1.00 0.00 H ATOM 471 N LYS A1906 16.778 4.866 -6.389 1.00 23.27 N ATOM 472 CA LYS A1906 16.180 4.947 -7.723 1.00 24.27 C ATOM 473 C LYS A1906 16.368 6.302 -8.376 1.00 28.45 C ATOM 474 O LYS A1906 16.499 6.372 -9.603 1.00 28.35 O ATOM 475 CB LYS A1906 14.675 4.591 -7.686 1.00 26.15 C ATOM 476 CG LYS A1906 14.357 3.232 -7.065 1.00 32.84 C ATOM 477 CD LYS A1906 15.104 2.080 -7.705 1.00 39.47 C ATOM 478 CE LYS A1906 14.861 0.786 -6.969 1.00 47.75 C ATOM 479 NZ LYS A1906 15.456 -0.352 -7.714 1.00 57.49 N ATOM 480 HZ1 LYS A1906 15.023 -0.412 -8.658 1.00 0.00 H ATOM 481 HZ2 LYS A1906 16.481 -0.204 -7.811 1.00 0.00 H ATOM 482 HZ3 LYS A1906 15.280 -1.235 -7.194 1.00 0.00 H ATOM 483 H LYS A1906 16.135 4.764 -5.578 1.00 0.00 H ATOM 484 N LYS A1907 16.353 7.372 -7.574 1.00 23.88 N ATOM 485 CA LYS A1907 16.497 8.715 -8.105 1.00 22.57 C ATOM 486 C LYS A1907 17.640 9.447 -7.375 1.00 24.94 C ATOM 487 O LYS A1907 17.365 10.290 -6.522 1.00 21.70 O ATOM 488 CB LYS A1907 15.169 9.493 -8.002 1.00 24.33 C ATOM 489 CG LYS A1907 14.051 8.950 -8.879 1.00 41.59 C ATOM 490 CD LYS A1907 12.737 9.614 -8.525 1.00 58.16 C ATOM 491 CE LYS A1907 11.545 9.017 -9.231 1.00 74.53 C ATOM 492 NZ LYS A1907 10.277 9.659 -8.787 1.00 84.19 N ATOM 493 HZ1 LYS A1907 10.160 9.520 -7.763 1.00 0.00 H ATOM 494 HZ2 LYS A1907 10.313 10.677 -8.999 1.00 0.00 H ATOM 495 HZ3 LYS A1907 9.476 9.227 -9.290 1.00 0.00 H ATOM 496 H LYS A1907 16.236 7.239 -6.549 1.00 0.00 H ATOM 497 N PRO A1908 18.930 9.141 -7.688 1.00 23.48 N ATOM 498 CA PRO A1908 20.034 9.874 -7.030 1.00 22.98 C ATOM 499 C PRO A1908 19.944 11.384 -7.303 1.00 25.77 C ATOM 500 O PRO A1908 19.410 11.788 -8.342 1.00 24.35 O ATOM 501 CB PRO A1908 21.296 9.249 -7.645 1.00 24.66 C ATOM 502 CG PRO A1908 20.860 7.954 -8.203 1.00 28.69 C ATOM 503 CD PRO A1908 19.453 8.170 -8.670 1.00 24.42 C ATOM 504 N MET A1909 20.347 12.213 -6.308 1.00 19.14 N ATOM 505 CA MET A1909 20.335 13.679 -6.380 1.00 16.60 C ATOM 506 C MET A1909 21.424 14.272 -5.472 1.00 19.56 C ATOM 507 O MET A1909 21.712 13.745 -4.391 1.00 18.50 O ATOM 508 CB MET A1909 18.947 14.241 -6.015 1.00 17.57 C ATOM 509 CG MET A1909 18.712 15.693 -6.453 1.00 18.67 C ATOM 510 SD MET A1909 19.192 16.208 -8.156 1.00 20.44 S ATOM 511 CE MET A1909 18.082 15.152 -9.151 1.00 16.57 C ATOM 512 H MET A1909 20.690 11.777 -5.428 1.00 0.00 H ATOM 513 N ASP A1910 22.035 15.372 -5.931 1.00 16.24 N ATOM 514 CA ASP A1910 23.105 16.072 -5.216 1.00 15.31 C ATOM 515 C ASP A1910 23.057 17.558 -5.561 1.00 18.98 C ATOM 516 O ASP A1910 22.415 17.928 -6.540 1.00 18.80 O ATOM 517 CB ASP A1910 24.464 15.459 -5.570 1.00 17.01 C ATOM 518 CG ASP A1910 24.872 15.792 -6.986 1.00 23.06 C ATOM 519 OD1 ASP A1910 24.318 15.166 -7.932 1.00 20.94 O ATOM 520 OD2 ASP A1910 25.672 16.725 -7.159 1.00 27.21 O ATOM 521 H ASP A1910 21.732 15.752 -6.850 1.00 0.00 H ATOM 522 N PHE A1911 23.784 18.394 -4.792 1.00 15.27 N ATOM 523 CA PHE A1911 23.787 19.844 -4.945 1.00 14.20 C ATOM 524 C PHE A1911 24.287 20.301 -6.317 1.00 18.27 C ATOM 525 O PHE A1911 23.694 21.227 -6.862 1.00 18.26 O ATOM 526 CB PHE A1911 24.599 20.504 -3.821 1.00 15.47 C ATOM 527 CG PHE A1911 24.030 20.379 -2.421 1.00 15.76 C ATOM 528 CD1 PHE A1911 22.770 19.818 -2.202 1.00 17.66 C ATOM 529 CD2 PHE A1911 24.754 20.820 -1.317 1.00 17.06 C ATOM 530 CE1 PHE A1911 22.267 19.671 -0.902 1.00 17.88 C ATOM 531 CE2 PHE A1911 24.225 20.717 -0.023 1.00 18.98 C ATOM 532 CZ PHE A1911 22.988 20.143 0.172 1.00 16.68 C ATOM 533 H PHE A1911 24.378 17.980 -4.045 1.00 0.00 H ATOM 534 N SER A1912 25.326 19.651 -6.895 1.00 16.85 N ATOM 535 CA SER A1912 25.853 20.037 -8.215 1.00 18.64 C ATOM 536 C SER A1912 24.846 19.755 -9.351 1.00 23.76 C ATOM 537 O SER A1912 24.772 20.556 -10.288 1.00 23.70 O ATOM 538 CB SER A1912 27.200 19.376 -8.520 1.00 22.28 C ATOM 539 OG SER A1912 27.118 17.968 -8.661 1.00 26.23 O ATOM 540 HG SER A1912 26.776 17.573 -7.820 1.00 0.00 H ATOM 541 H SER A1912 25.765 18.854 -6.391 1.00 0.00 H ATOM 542 N THR A1913 24.039 18.669 -9.236 1.00 19.78 N ATOM 543 CA THR A1913 23.007 18.339 -10.223 1.00 19.42 C ATOM 544 C THR A1913 21.886 19.361 -10.090 1.00 23.88 C ATOM 545 O THR A1913 21.404 19.867 -11.104 1.00 24.26 O ATOM 546 CB THR A1913 22.524 16.891 -10.099 1.00 22.47 C ATOM 547 OG1 THR A1913 23.654 16.035 -10.266 1.00 20.16 O ATOM 548 CG2 THR A1913 21.473 16.520 -11.169 1.00 24.68 C ATOM 549 HG1 THR A1913 24.324 16.234 -9.565 1.00 0.00 H ATOM 550 H THR A1913 24.158 18.045 -8.413 1.00 0.00 H ATOM 551 N ILE A1914 21.544 19.726 -8.852 1.00 20.05 N ATOM 552 CA ILE A1914 20.526 20.741 -8.581 1.00 19.46 C ATOM 553 C ILE A1914 20.973 22.079 -9.193 1.00 22.21 C ATOM 554 O ILE A1914 20.183 22.698 -9.901 1.00 23.87 O ATOM 555 CB ILE A1914 20.197 20.850 -7.067 1.00 20.57 C ATOM 556 CG1 ILE A1914 19.551 19.539 -6.564 1.00 19.28 C ATOM 557 CG2 ILE A1914 19.268 22.058 -6.793 1.00 20.24 C ATOM 558 CD1 ILE A1914 19.363 19.469 -5.065 1.00 17.74 C ATOM 559 H ILE A1914 22.021 19.270 -8.048 1.00 0.00 H ATOM 560 N ARG A1915 22.236 22.480 -8.974 1.00 18.04 N ATOM 561 CA ARG A1915 22.822 23.717 -9.506 1.00 18.89 C ATOM 562 C ARG A1915 22.752 23.745 -11.044 1.00 25.30 C ATOM 563 O ARG A1915 22.367 24.771 -11.611 1.00 26.80 O ATOM 564 CB ARG A1915 24.280 23.890 -9.007 1.00 18.52 C ATOM 565 CG ARG A1915 25.086 25.042 -9.627 1.00 22.25 C ATOM 566 CD ARG A1915 24.528 26.401 -9.283 1.00 23.96 C ATOM 567 NE ARG A1915 24.757 26.737 -7.877 1.00 21.72 N ATOM 568 CZ ARG A1915 24.115 27.697 -7.224 1.00 33.82 C ATOM 569 NH1 ARG A1915 23.164 28.400 -7.827 1.00 25.34 N ATOM 570 NH2 ARG A1915 24.408 27.954 -5.959 1.00 27.81 N ATOM 571 HE ARG A1915 25.470 26.187 -7.356 1.00 0.00 H ATOM 572 HH12 ARG A1915 22.665 29.151 -7.309 1.00 0.00 H ATOM 573 HH11 ARG A1915 22.918 28.200 -8.817 1.00 0.00 H ATOM 574 HH22 ARG A1915 23.902 28.707 -5.451 1.00 0.00 H ATOM 575 HH21 ARG A1915 25.144 27.403 -5.473 1.00 0.00 H ATOM 576 H ARG A1915 22.841 21.872 -8.386 1.00 0.00 H ATOM 577 N GLU A1916 23.084 22.626 -11.698 1.00 21.52 N ATOM 578 CA GLU A1916 23.045 22.506 -13.150 1.00 22.03 C ATOM 579 C GLU A1916 21.606 22.658 -13.661 1.00 25.09 C ATOM 580 O GLU A1916 21.376 23.406 -14.599 1.00 25.46 O ATOM 581 CB GLU A1916 23.656 21.169 -13.591 1.00 23.76 C ATOM 582 CG GLU A1916 23.858 21.026 -15.091 1.00 37.94 C ATOM 583 CD GLU A1916 24.695 22.084 -15.794 1.00 57.94 C ATOM 584 OE1 GLU A1916 25.737 22.503 -15.237 1.00 40.48 O ATOM 585 OE2 GLU A1916 24.305 22.488 -16.915 1.00 48.14 O ATOM 586 H GLU A1916 23.385 21.800 -11.142 1.00 0.00 H ATOM 587 N LYS A1917 20.647 21.990 -13.014 1.00 21.87 N ATOM 588 CA LYS A1917 19.230 22.050 -13.367 1.00 22.07 C ATOM 589 C LYS A1917 18.671 23.467 -13.198 1.00 24.99 C ATOM 590 O LYS A1917 18.000 23.943 -14.104 1.00 24.90 O ATOM 591 CB LYS A1917 18.425 21.043 -12.546 1.00 22.88 C ATOM 592 CG LYS A1917 18.663 19.600 -13.002 1.00 22.08 C ATOM 593 CD LYS A1917 17.844 18.610 -12.211 1.00 24.84 C ATOM 594 CE LYS A1917 16.356 18.727 -12.461 1.00 22.83 C ATOM 595 NZ LYS A1917 15.619 17.645 -11.745 1.00 28.56 N ATOM 596 HZ1 LYS A1917 15.948 16.719 -12.086 1.00 0.00 H ATOM 597 HZ2 LYS A1917 15.798 17.723 -10.723 1.00 0.00 H ATOM 598 HZ3 LYS A1917 14.600 17.742 -11.928 1.00 0.00 H ATOM 599 H LYS A1917 20.926 21.391 -12.211 1.00 0.00 H ATOM 600 N LEU A1918 18.997 24.153 -12.078 1.00 21.84 N ATOM 601 CA LEU A1918 18.561 25.529 -11.801 1.00 21.58 C ATOM 602 C LEU A1918 19.118 26.517 -12.828 1.00 26.44 C ATOM 603 O LEU A1918 18.378 27.379 -13.291 1.00 27.96 O ATOM 604 CB LEU A1918 18.982 25.971 -10.370 1.00 20.61 C ATOM 605 CG LEU A1918 18.317 27.242 -9.777 1.00 23.92 C ATOM 606 CD1 LEU A1918 16.822 27.049 -9.557 1.00 23.49 C ATOM 607 CD2 LEU A1918 18.926 27.587 -8.443 1.00 23.59 C ATOM 608 H LEU A1918 19.592 23.678 -11.370 1.00 0.00 H ATOM 609 N SER A1919 20.412 26.396 -13.158 1.00 22.26 N ATOM 610 CA SER A1919 21.138 27.279 -14.069 1.00 22.94 C ATOM 611 C SER A1919 20.734 27.080 -15.538 1.00 24.70 C ATOM 612 O SER A1919 20.983 27.964 -16.346 1.00 24.79 O ATOM 613 CB SER A1919 22.642 27.061 -13.926 1.00 27.62 C ATOM 614 OG SER A1919 23.068 27.376 -12.612 1.00 34.00 O ATOM 615 HG SER A1919 22.861 28.324 -12.418 1.00 0.00 H ATOM 616 H SER A1919 20.942 25.610 -12.731 1.00 0.00 H ATOM 617 N SER A1920 20.132 25.931 -15.882 1.00 20.83 N ATOM 618 CA SER A1920 19.740 25.638 -17.259 1.00 21.59 C ATOM 619 C SER A1920 18.200 25.629 -17.476 1.00 24.68 C ATOM 620 O SER A1920 17.733 25.109 -18.495 1.00 23.93 O ATOM 621 CB SER A1920 20.353 24.317 -17.706 1.00 24.09 C ATOM 622 OG SER A1920 19.986 23.266 -16.833 1.00 28.11 O ATOM 623 HG SER A1920 20.305 23.471 -15.919 1.00 0.00 H ATOM 624 H SER A1920 19.938 25.225 -15.143 1.00 0.00 H ATOM 625 N GLY A1921 17.459 26.232 -16.545 1.00 22.70 N ATOM 626 CA GLY A1921 16.004 26.382 -16.598 1.00 22.83 C ATOM 627 C GLY A1921 15.220 25.093 -16.535 1.00 25.86 C ATOM 628 O GLY A1921 14.146 24.981 -17.135 1.00 26.13 O ATOM 629 H GLY A1921 17.953 26.626 -15.719 1.00 0.00 H ATOM 630 N GLN A1922 15.744 24.114 -15.803 1.00 22.44 N ATOM 631 CA GLN A1922 15.099 22.809 -15.685 1.00 22.76 C ATOM 632 C GLN A1922 14.128 22.725 -14.482 1.00 25.44 C ATOM 633 O GLN A1922 13.543 21.667 -14.262 1.00 25.81 O ATOM 634 CB GLN A1922 16.137 21.692 -15.646 1.00 23.47 C ATOM 635 CG GLN A1922 16.876 21.572 -16.977 1.00 28.61 C ATOM 636 CD GLN A1922 17.739 20.352 -16.995 1.00 42.46 C ATOM 637 OE1 GLN A1922 17.302 19.250 -16.654 1.00 41.21 O ATOM 638 NE2 GLN A1922 18.994 20.532 -17.348 1.00 30.12 N ATOM 639 HE22 GLN A1922 19.325 21.477 -17.629 1.00 0.00 H ATOM 640 HE21 GLN A1922 19.655 19.729 -17.346 1.00 0.00 H ATOM 641 H GLN A1922 16.639 24.283 -15.300 1.00 0.00 H ATOM 642 N TYR A1923 13.886 23.850 -13.779 1.00 20.14 N ATOM 643 CA TYR A1923 12.892 23.883 -12.714 1.00 18.11 C ATOM 644 C TYR A1923 11.746 24.776 -13.170 1.00 24.25 C ATOM 645 O TYR A1923 11.940 25.983 -13.350 1.00 22.87 O ATOM 646 CB TYR A1923 13.469 24.307 -11.341 1.00 17.39 C ATOM 647 CG TYR A1923 14.408 23.268 -10.741 1.00 17.18 C ATOM 648 CD1 TYR A1923 13.968 21.975 -10.466 1.00 18.11 C ATOM 649 CD2 TYR A1923 15.739 23.573 -10.476 1.00 16.31 C ATOM 650 CE1 TYR A1923 14.823 21.020 -9.923 1.00 16.97 C ATOM 651 CE2 TYR A1923 16.601 22.629 -9.920 1.00 15.30 C ATOM 652 CZ TYR A1923 16.143 21.350 -9.660 1.00 22.75 C ATOM 653 OH TYR A1923 17.013 20.396 -9.185 1.00 21.09 O ATOM 654 HH TYR A1923 16.527 19.544 -9.054 1.00 0.00 H ATOM 655 H TYR A1923 14.421 24.714 -14.002 1.00 0.00 H ATOM 656 N PRO A1924 10.552 24.188 -13.446 1.00 22.89 N ATOM 657 CA PRO A1924 9.421 25.024 -13.878 1.00 23.99 C ATOM 658 C PRO A1924 8.928 25.940 -12.763 1.00 28.30 C ATOM 659 O PRO A1924 8.274 26.929 -13.052 1.00 27.93 O ATOM 660 CB PRO A1924 8.339 24.010 -14.276 1.00 26.50 C ATOM 661 CG PRO A1924 8.711 22.751 -13.611 1.00 29.72 C ATOM 662 CD PRO A1924 10.183 22.756 -13.362 1.00 23.89 C ATOM 663 N ASN A1925 9.214 25.602 -11.487 1.00 25.38 N ATOM 664 CA ASN A1925 8.740 26.389 -10.351 1.00 25.93 C ATOM 665 C ASN A1925 9.527 26.089 -9.072 1.00 30.91 C ATOM 666 O ASN A1925 10.426 25.241 -9.063 1.00 28.19 O ATOM 667 CB ASN A1925 7.236 26.123 -10.115 1.00 26.30 C ATOM 668 CG ASN A1925 6.892 24.665 -9.970 1.00 36.59 C ATOM 669 OD1 ASN A1925 7.483 23.928 -9.176 1.00 36.03 O ATOM 670 ND2 ASN A1925 5.935 24.207 -10.746 1.00 26.03 N ATOM 671 HD22 ASN A1925 5.451 24.847 -11.408 1.00 0.00 H ATOM 672 HD21 ASN A1925 5.662 23.205 -10.698 1.00 0.00 H ATOM 673 H ASN A1925 9.790 24.755 -11.307 1.00 0.00 H ATOM 674 N LEU A1926 9.155 26.796 -7.987 1.00 30.28 N ATOM 675 CA LEU A1926 9.703 26.682 -6.640 1.00 30.52 C ATOM 676 C LEU A1926 9.645 25.267 -6.089 1.00 32.34 C ATOM 677 O LEU A1926 10.613 24.788 -5.510 1.00 31.30 O ATOM 678 CB LEU A1926 8.874 27.575 -5.694 1.00 31.34 C ATOM 679 CG LEU A1926 9.171 29.034 -5.712 1.00 36.01 C ATOM 680 CD1 LEU A1926 8.252 29.769 -4.757 1.00 37.03 C ATOM 681 CD2 LEU A1926 10.616 29.287 -5.367 1.00 36.97 C ATOM 682 H LEU A1926 8.398 27.496 -8.124 1.00 0.00 H ATOM 683 N GLU A1927 8.466 24.654 -6.206 1.00 29.60 N ATOM 684 CA GLU A1927 8.095 23.345 -5.702 1.00 29.81 C ATOM 685 C GLU A1927 9.009 22.251 -6.270 1.00 31.50 C ATOM 686 O GLU A1927 9.448 21.391 -5.507 1.00 30.90 O ATOM 687 CB GLU A1927 6.599 23.104 -6.017 1.00 33.12 C ATOM 688 CG GLU A1927 6.128 21.658 -6.082 1.00 48.78 C ATOM 689 H GLU A1927 7.726 25.175 -6.718 1.00 0.00 H ATOM 690 N THR A1928 9.301 22.283 -7.590 1.00 26.48 N ATOM 691 CA THR A1928 10.162 21.282 -8.225 1.00 24.09 C ATOM 692 C THR A1928 11.592 21.404 -7.704 1.00 23.97 C ATOM 693 O THR A1928 12.269 20.393 -7.572 1.00 21.55 O ATOM 694 CB THR A1928 10.107 21.380 -9.738 1.00 32.12 C ATOM 695 OG1 THR A1928 10.422 22.723 -10.115 1.00 29.91 O ATOM 696 CG2 THR A1928 8.755 20.935 -10.302 1.00 30.66 C ATOM 697 HG1 THR A1928 9.763 23.341 -9.711 1.00 0.00 H ATOM 698 H THR A1928 8.901 23.044 -8.175 1.00 0.00 H ATOM 699 N PHE A1929 12.039 22.633 -7.375 1.00 20.18 N ATOM 700 CA PHE A1929 13.369 22.847 -6.793 1.00 18.39 C ATOM 701 C PHE A1929 13.390 22.228 -5.378 1.00 23.18 C ATOM 702 O PHE A1929 14.309 21.479 -5.066 1.00 22.18 O ATOM 703 CB PHE A1929 13.720 24.352 -6.764 1.00 18.51 C ATOM 704 CG PHE A1929 14.955 24.688 -5.956 1.00 18.11 C ATOM 705 CD1 PHE A1929 16.222 24.561 -6.509 1.00 18.62 C ATOM 706 CD2 PHE A1929 14.847 25.134 -4.641 1.00 21.06 C ATOM 707 CE1 PHE A1929 17.356 24.855 -5.759 1.00 19.95 C ATOM 708 CE2 PHE A1929 15.989 25.447 -3.894 1.00 23.06 C ATOM 709 CZ PHE A1929 17.233 25.314 -4.462 1.00 20.35 C ATOM 710 H PHE A1929 11.422 23.454 -7.539 1.00 0.00 H ATOM 711 N ALA A1930 12.377 22.545 -4.531 1.00 20.48 N ATOM 712 CA ALA A1930 12.284 22.022 -3.167 1.00 20.01 C ATOM 713 C ALA A1930 12.210 20.489 -3.154 1.00 23.70 C ATOM 714 O ALA A1930 12.806 19.891 -2.265 1.00 20.92 O ATOM 715 CB ALA A1930 11.079 22.611 -2.439 1.00 21.23 C ATOM 716 H ALA A1930 11.633 23.189 -4.867 1.00 0.00 H ATOM 717 N LEU A1931 11.519 19.860 -4.147 1.00 22.22 N ATOM 718 CA LEU A1931 11.396 18.399 -4.245 1.00 22.92 C ATOM 719 C LEU A1931 12.758 17.719 -4.447 1.00 25.01 C ATOM 720 O LEU A1931 12.989 16.673 -3.843 1.00 24.52 O ATOM 721 CB LEU A1931 10.432 17.978 -5.376 1.00 24.83 C ATOM 722 CG LEU A1931 8.912 18.066 -5.088 1.00 31.81 C ATOM 723 CD1 LEU A1931 8.102 17.858 -6.376 1.00 32.89 C ATOM 724 CD2 LEU A1931 8.461 17.043 -4.051 1.00 36.09 C ATOM 725 H LEU A1931 11.055 20.444 -4.872 1.00 0.00 H ATOM 726 N ASP A1932 13.648 18.306 -5.289 1.00 20.49 N ATOM 727 CA ASP A1932 14.994 17.775 -5.548 1.00 19.76 C ATOM 728 C ASP A1932 15.928 17.942 -4.354 1.00 21.71 C ATOM 729 O ASP A1932 16.757 17.066 -4.101 1.00 21.15 O ATOM 730 CB ASP A1932 15.621 18.437 -6.773 1.00 20.63 C ATOM 731 CG ASP A1932 15.415 17.647 -8.036 1.00 25.24 C ATOM 732 OD1 ASP A1932 14.800 16.552 -7.963 1.00 28.54 O ATOM 733 OD2 ASP A1932 15.915 18.081 -9.089 1.00 22.05 O ATOM 734 H ASP A1932 13.361 19.179 -5.777 1.00 0.00 H ATOM 735 N VAL A1933 15.792 19.050 -3.625 1.00 17.52 N ATOM 736 CA VAL A1933 16.588 19.302 -2.423 1.00 16.55 C ATOM 737 C VAL A1933 16.209 18.266 -1.371 1.00 21.76 C ATOM 738 O VAL A1933 17.086 17.659 -0.760 1.00 21.07 O ATOM 739 CB VAL A1933 16.421 20.746 -1.886 1.00 19.13 C ATOM 740 CG1 VAL A1933 17.054 20.883 -0.507 1.00 17.93 C ATOM 741 CG2 VAL A1933 17.010 21.775 -2.859 1.00 18.62 C ATOM 742 H VAL A1933 15.094 19.762 -3.922 1.00 0.00 H ATOM 743 N ARG A1934 14.902 18.065 -1.174 1.00 21.04 N ATOM 744 CA ARG A1934 14.357 17.123 -0.188 1.00 20.84 C ATOM 745 C ARG A1934 14.708 15.678 -0.556 1.00 21.34 C ATOM 746 O ARG A1934 14.966 14.879 0.328 1.00 20.29 O ATOM 747 CB ARG A1934 12.844 17.313 -0.042 1.00 20.97 C ATOM 748 CG ARG A1934 12.530 18.543 0.791 1.00 28.29 C ATOM 749 CD ARG A1934 11.072 18.947 0.717 1.00 24.50 C ATOM 750 NE ARG A1934 10.887 20.223 1.396 1.00 28.95 N ATOM 751 CZ ARG A1934 9.928 21.101 1.129 1.00 40.87 C ATOM 752 NH1 ARG A1934 9.026 20.846 0.189 1.00 26.21 N ATOM 753 NH2 ARG A1934 9.867 22.244 1.797 1.00 30.75 N ATOM 754 HE ARG A1934 11.561 20.465 2.150 1.00 0.00 H ATOM 755 HH12 ARG A1934 8.277 21.539 -0.015 1.00 0.00 H ATOM 756 HH11 ARG A1934 9.068 19.954 -0.344 1.00 0.00 H ATOM 757 HH22 ARG A1934 9.115 22.930 1.586 1.00 0.00 H ATOM 758 HH21 ARG A1934 10.572 22.455 2.532 1.00 0.00 H ATOM 759 H ARG A1934 14.231 18.608 -1.754 1.00 0.00 H ATOM 760 N LEU A1935 14.752 15.370 -1.858 1.00 17.57 N ATOM 761 CA LEU A1935 15.141 14.075 -2.417 1.00 16.08 C ATOM 762 C LEU A1935 16.580 13.739 -1.994 1.00 20.74 C ATOM 763 O LEU A1935 16.860 12.589 -1.683 1.00 20.48 O ATOM 764 CB LEU A1935 15.012 14.113 -3.959 1.00 15.47 C ATOM 765 CG LEU A1935 15.507 12.910 -4.754 1.00 19.21 C ATOM 766 CD1 LEU A1935 14.805 11.587 -4.286 1.00 18.44 C ATOM 767 CD2 LEU A1935 15.376 13.174 -6.289 1.00 22.00 C ATOM 768 H LEU A1935 14.486 16.117 -2.531 1.00 0.00 H ATOM 769 N VAL A1936 17.474 14.751 -1.931 1.00 18.77 N ATOM 770 CA VAL A1936 18.861 14.564 -1.483 1.00 17.06 C ATOM 771 C VAL A1936 18.861 13.957 -0.060 1.00 21.30 C ATOM 772 O VAL A1936 19.533 12.956 0.199 1.00 20.55 O ATOM 773 CB VAL A1936 19.658 15.898 -1.539 1.00 18.76 C ATOM 774 CG1 VAL A1936 21.014 15.786 -0.847 1.00 18.36 C ATOM 775 CG2 VAL A1936 19.824 16.392 -2.964 1.00 17.23 C ATOM 776 H VAL A1936 17.167 15.704 -2.212 1.00 0.00 H ATOM 777 N PHE A1937 18.049 14.528 0.828 1.00 18.73 N ATOM 778 CA PHE A1937 18.010 14.127 2.230 1.00 17.97 C ATOM 779 C PHE A1937 17.182 12.865 2.466 1.00 21.71 C ATOM 780 O PHE A1937 17.535 12.101 3.360 1.00 22.06 O ATOM 781 CB PHE A1937 17.549 15.309 3.116 1.00 18.97 C ATOM 782 CG PHE A1937 18.350 16.556 2.808 1.00 19.59 C ATOM 783 CD1 PHE A1937 19.748 16.532 2.824 1.00 22.16 C ATOM 784 CD2 PHE A1937 17.715 17.737 2.441 1.00 20.04 C ATOM 785 CE1 PHE A1937 20.488 17.661 2.451 1.00 22.59 C ATOM 786 CE2 PHE A1937 18.456 18.887 2.147 1.00 23.29 C ATOM 787 CZ PHE A1937 19.838 18.844 2.150 1.00 21.53 C ATOM 788 H PHE A1937 17.417 15.290 0.509 1.00 0.00 H ATOM 789 N ASP A1938 16.156 12.595 1.626 1.00 18.99 N ATOM 790 CA ASP A1938 15.349 11.366 1.680 1.00 18.77 C ATOM 791 C ASP A1938 16.199 10.167 1.256 1.00 24.40 C ATOM 792 O ASP A1938 16.052 9.079 1.822 1.00 24.18 O ATOM 793 CB ASP A1938 14.114 11.506 0.780 1.00 20.06 C ATOM 794 CG ASP A1938 13.077 12.465 1.339 1.00 27.06 C ATOM 795 OD1 ASP A1938 13.214 12.871 2.512 1.00 26.96 O ATOM 796 OD2 ASP A1938 12.129 12.806 0.605 1.00 30.54 O ATOM 797 H ASP A1938 15.924 13.300 0.897 1.00 0.00 H ATOM 798 N ASN A1939 17.094 10.374 0.258 1.00 21.43 N ATOM 799 CA ASN A1939 18.045 9.353 -0.209 1.00 21.45 C ATOM 800 C ASN A1939 19.062 9.101 0.865 1.00 22.77 C ATOM 801 O ASN A1939 19.428 7.957 1.104 1.00 23.00 O ATOM 802 CB ASN A1939 18.779 9.817 -1.493 1.00 20.11 C ATOM 803 CG ASN A1939 17.941 9.848 -2.728 1.00 26.13 C ATOM 804 OD1 ASN A1939 16.863 9.250 -2.783 1.00 21.77 O ATOM 805 ND2 ASN A1939 18.467 10.479 -3.777 1.00 18.09 N ATOM 806 HD22 ASN A1939 19.379 10.970 -3.685 1.00 0.00 H ATOM 807 HD21 ASN A1939 17.966 10.480 -4.688 1.00 0.00 H ATOM 808 H ASN A1939 17.109 11.306 -0.203 1.00 0.00 H ATOM 809 N CYS A1940 19.541 10.193 1.511 1.00 18.25 N ATOM 810 CA CYS A1940 20.543 10.078 2.552 1.00 17.48 C ATOM 811 C CYS A1940 20.011 9.216 3.720 1.00 22.58 C ATOM 812 O CYS A1940 20.731 8.328 4.161 1.00 23.41 O ATOM 813 CB CYS A1940 21.028 11.443 3.013 1.00 16.59 C ATOM 814 SG CYS A1940 22.169 11.388 4.417 1.00 20.24 S ATOM 815 H CYS A1940 19.181 11.134 1.254 1.00 0.00 H ATOM 816 N GLU A1941 18.734 9.406 4.122 1.00 20.06 N ATOM 817 CA GLU A1941 18.057 8.672 5.203 1.00 21.25 C ATOM 818 C GLU A1941 17.826 7.214 4.848 1.00 24.35 C ATOM 819 O GLU A1941 17.915 6.354 5.721 1.00 24.67 O ATOM 820 CB GLU A1941 16.720 9.329 5.559 1.00 22.89 C ATOM 821 CG GLU A1941 16.808 10.198 6.797 1.00 34.81 C ATOM 822 CD GLU A1941 15.487 10.798 7.231 1.00 53.60 C ATOM 823 OE1 GLU A1941 14.581 10.021 7.609 1.00 64.88 O ATOM 824 OE2 GLU A1941 15.365 12.045 7.214 1.00 37.58 O ATOM 825 H GLU A1941 18.183 10.134 3.624 1.00 0.00 H ATOM 826 N THR A1942 17.554 6.939 3.569 1.00 21.08 N ATOM 827 CA THR A1942 17.372 5.588 3.038 1.00 21.62 C ATOM 828 C THR A1942 18.690 4.780 3.100 1.00 23.83 C ATOM 829 O THR A1942 18.644 3.584 3.379 1.00 24.85 O ATOM 830 CB THR A1942 16.841 5.649 1.583 1.00 29.51 C ATOM 831 OG1 THR A1942 15.590 6.326 1.567 1.00 26.73 O ATOM 832 CG2 THR A1942 16.627 4.243 0.949 1.00 30.24 C ATOM 833 HG1 THR A1942 15.709 7.245 1.916 1.00 0.00 H ATOM 834 H THR A1942 17.466 7.737 2.908 1.00 0.00 H ATOM 835 N PHE A1943 19.841 5.398 2.799 1.00 18.19 N ATOM 836 CA PHE A1943 21.086 4.638 2.701 1.00 17.99 C ATOM 837 C PHE A1943 21.982 4.724 3.940 1.00 24.23 C ATOM 838 O PHE A1943 22.910 3.919 4.074 1.00 25.19 O ATOM 839 CB PHE A1943 21.882 5.077 1.446 1.00 19.35 C ATOM 840 CG PHE A1943 22.756 3.998 0.820 1.00 20.63 C ATOM 841 CD1 PHE A1943 22.199 3.001 0.013 1.00 22.78 C ATOM 842 CD2 PHE A1943 24.133 3.984 1.029 1.00 22.04 C ATOM 843 CE1 PHE A1943 23.002 2.008 -0.559 1.00 23.49 C ATOM 844 CE2 PHE A1943 24.937 2.980 0.461 1.00 25.02 C ATOM 845 CZ PHE A1943 24.364 2.000 -0.329 1.00 23.53 C ATOM 846 H PHE A1943 19.848 6.425 2.634 1.00 0.00 H ATOM 847 N ASN A1944 21.741 5.693 4.824 1.00 20.67 N ATOM 848 CA ASN A1944 22.600 5.889 5.969 1.00 21.03 C ATOM 849 C ASN A1944 21.874 5.764 7.288 1.00 25.22 C ATOM 850 O ASN A1944 20.726 6.205 7.446 1.00 23.88 O ATOM 851 CB ASN A1944 23.277 7.264 5.895 1.00 19.55 C ATOM 852 CG ASN A1944 24.104 7.427 4.649 1.00 30.29 C ATOM 853 OD1 ASN A1944 25.269 7.061 4.616 1.00 25.78 O ATOM 854 ND2 ASN A1944 23.505 7.936 3.577 1.00 21.26 N ATOM 855 HD22 ASN A1944 22.512 8.240 3.631 1.00 0.00 H ATOM 856 HD21 ASN A1944 24.029 8.030 2.684 1.00 0.00 H ATOM 857 H ASN A1944 20.921 6.318 4.687 1.00 0.00 H ATOM 858 N GLU A1945 22.575 5.156 8.247 1.00 21.65 N ATOM 859 CA GLU A1945 22.109 5.069 9.623 1.00 21.53 C ATOM 860 C GLU A1945 22.041 6.471 10.210 1.00 24.00 C ATOM 861 O GLU A1945 22.919 7.287 9.905 1.00 23.82 O ATOM 862 CB GLU A1945 23.059 4.193 10.460 1.00 23.48 C ATOM 863 CG GLU A1945 23.106 2.728 10.055 1.00 29.96 C ATOM 864 CD GLU A1945 23.981 1.898 10.971 1.00 50.62 C ATOM 865 OE1 GLU A1945 23.545 1.613 12.111 1.00 56.80 O ATOM 866 OE2 GLU A1945 25.118 1.566 10.566 1.00 41.25 O ATOM 867 H GLU A1945 23.490 4.728 8.001 1.00 0.00 H ATOM 868 N ASP A1946 20.989 6.786 10.986 1.00 20.16 N ATOM 869 CA ASP A1946 20.889 8.093 11.656 1.00 21.53 C ATOM 870 C ASP A1946 22.144 8.340 12.501 1.00 28.75 C ATOM 871 O ASP A1946 22.691 9.446 12.496 1.00 29.80 O ATOM 872 CB ASP A1946 19.636 8.161 12.552 1.00 23.38 C ATOM 873 CG ASP A1946 18.329 8.159 11.800 1.00 29.98 C ATOM 874 OD1 ASP A1946 18.342 8.438 10.582 1.00 32.00 O ATOM 875 OD2 ASP A1946 17.295 7.869 12.422 1.00 35.03 O ATOM 876 H ASP A1946 20.228 6.090 11.116 1.00 0.00 H ATOM 877 N ASP A1947 22.626 7.278 13.172 1.00 25.43 N ATOM 878 CA ASP A1947 23.837 7.319 13.981 1.00 25.89 C ATOM 879 C ASP A1947 25.064 6.999 13.098 1.00 28.97 C ATOM 880 O ASP A1947 25.613 5.895 13.130 1.00 30.17 O ATOM 881 CB ASP A1947 23.721 6.360 15.174 1.00 28.36 C ATOM 882 CG ASP A1947 24.904 6.373 16.134 1.00 39.70 C ATOM 883 OD1 ASP A1947 25.684 7.354 16.108 1.00 37.65 O ATOM 884 OD2 ASP A1947 25.061 5.391 16.895 1.00 47.60 O ATOM 885 H ASP A1947 22.106 6.379 13.110 1.00 0.00 H ATOM 886 N SER A1948 25.450 7.982 12.293 1.00 24.27 N ATOM 887 CA SER A1948 26.594 8.024 11.364 1.00 23.23 C ATOM 888 C SER A1948 26.854 9.486 11.008 1.00 25.90 C ATOM 889 O SER A1948 25.942 10.309 11.155 1.00 24.35 O ATOM 890 CB SER A1948 26.317 7.198 10.104 1.00 24.27 C ATOM 891 OG SER A1948 25.342 7.806 9.270 1.00 23.52 O ATOM 892 HG SER A1948 24.493 7.899 9.771 1.00 0.00 H ATOM 893 H SER A1948 24.864 8.841 12.322 1.00 0.00 H ATOM 894 N ASP A1949 28.079 9.829 10.560 1.00 24.62 N ATOM 895 CA ASP A1949 28.390 11.226 10.194 1.00 24.33 C ATOM 896 C ASP A1949 27.517 11.705 9.028 1.00 26.75 C ATOM 897 O ASP A1949 26.952 12.798 9.108 1.00 26.46 O ATOM 898 CB ASP A1949 29.879 11.411 9.862 1.00 26.40 C ATOM 899 CG ASP A1949 30.788 11.100 11.031 1.00 30.51 C ATOM 900 OD1 ASP A1949 30.931 11.969 11.921 1.00 28.47 O ATOM 901 OD2 ASP A1949 31.367 9.994 11.051 1.00 41.00 O ATOM 902 H ASP A1949 28.815 9.100 10.471 1.00 0.00 H ATOM 903 N ILE A1950 27.390 10.895 7.965 1.00 23.26 N ATOM 904 CA ILE A1950 26.565 11.243 6.785 1.00 21.52 C ATOM 905 C ILE A1950 25.074 11.319 7.207 1.00 24.72 C ATOM 906 O ILE A1950 24.382 12.279 6.847 1.00 22.88 O ATOM 907 CB ILE A1950 26.813 10.277 5.595 1.00 23.68 C ATOM 908 CG1 ILE A1950 28.285 10.397 5.095 1.00 23.49 C ATOM 909 CG2 ILE A1950 25.821 10.547 4.448 1.00 23.95 C ATOM 910 CD1 ILE A1950 28.797 9.272 4.086 1.00 23.21 C ATOM 911 H ILE A1950 27.892 9.984 7.970 1.00 0.00 H ATOM 912 N GLY A1951 24.617 10.341 7.992 1.00 21.19 N ATOM 913 CA GLY A1951 23.257 10.331 8.521 1.00 20.82 C ATOM 914 C GLY A1951 22.935 11.613 9.286 1.00 21.87 C ATOM 915 O GLY A1951 21.871 12.190 9.091 1.00 21.20 O ATOM 916 H GLY A1951 25.254 9.556 8.236 1.00 0.00 H ATOM 917 N ARG A1952 23.874 12.101 10.109 1.00 18.17 N ATOM 918 CA ARG A1952 23.710 13.343 10.892 1.00 18.29 C ATOM 919 C ARG A1952 23.828 14.577 10.006 1.00 22.08 C ATOM 920 O ARG A1952 23.076 15.540 10.202 1.00 22.30 O ATOM 921 CB ARG A1952 24.717 13.424 12.053 1.00 18.51 C ATOM 922 CG ARG A1952 24.273 12.674 13.287 1.00 17.48 C ATOM 923 CD ARG A1952 25.217 12.885 14.454 1.00 24.64 C ATOM 924 NE ARG A1952 26.523 12.253 14.261 1.00 31.09 N ATOM 925 CZ ARG A1952 26.795 10.979 14.522 1.00 39.22 C ATOM 926 NH1 ARG A1952 28.017 10.505 14.329 1.00 23.42 N ATOM 927 NH2 ARG A1952 25.847 10.168 14.977 1.00 29.68 N ATOM 928 HE ARG A1952 27.295 12.845 13.892 1.00 0.00 H ATOM 929 HH12 ARG A1952 28.226 9.507 14.534 1.00 0.00 H ATOM 930 HH11 ARG A1952 28.767 11.131 13.972 1.00 0.00 H ATOM 931 HH22 ARG A1952 26.068 9.172 15.179 1.00 0.00 H ATOM 932 HH21 ARG A1952 24.884 10.529 15.131 1.00 0.00 H ATOM 933 H ARG A1952 24.767 11.576 10.201 1.00 0.00 H ATOM 934 N ALA A1953 24.764 14.552 9.032 1.00 17.99 N ATOM 935 CA ALA A1953 24.946 15.618 8.046 1.00 18.48 C ATOM 936 C ALA A1953 23.623 15.879 7.295 1.00 23.61 C ATOM 937 O ALA A1953 23.217 17.043 7.156 1.00 23.61 O ATOM 938 CB ALA A1953 26.057 15.249 7.061 1.00 18.87 C ATOM 939 H ALA A1953 25.393 13.725 8.980 1.00 0.00 H ATOM 940 N GLY A1954 22.939 14.796 6.908 1.00 19.49 N ATOM 941 CA GLY A1954 21.654 14.837 6.211 1.00 18.60 C ATOM 942 C GLY A1954 20.574 15.537 7.017 1.00 22.58 C ATOM 943 O GLY A1954 19.952 16.478 6.529 1.00 21.56 O ATOM 944 H GLY A1954 23.348 13.863 7.117 1.00 0.00 H ATOM 945 N HIS A1955 20.384 15.114 8.284 1.00 21.05 N ATOM 946 CA HIS A1955 19.406 15.684 9.200 1.00 22.03 C ATOM 947 C HIS A1955 19.670 17.162 9.428 1.00 25.26 C ATOM 948 O HIS A1955 18.720 17.941 9.393 1.00 25.81 O ATOM 949 CB HIS A1955 19.375 14.926 10.543 1.00 24.37 C ATOM 950 CG HIS A1955 18.750 13.575 10.423 1.00 28.50 C ATOM 951 ND1 HIS A1955 19.502 12.420 10.537 1.00 30.41 N ATOM 952 CD2 HIS A1955 17.468 13.236 10.138 1.00 30.65 C ATOM 953 CE1 HIS A1955 18.657 11.423 10.338 1.00 30.24 C ATOM 954 NE2 HIS A1955 17.422 11.864 10.094 1.00 30.74 N ATOM 955 H HIS A1955 20.974 14.330 8.629 1.00 0.00 H ATOM 956 N ASN A1956 20.951 17.558 9.589 1.00 20.95 N ATOM 957 CA ASN A1956 21.350 18.965 9.792 1.00 21.22 C ATOM 958 C ASN A1956 21.046 19.817 8.566 1.00 23.34 C ATOM 959 O ASN A1956 20.395 20.848 8.698 1.00 22.20 O ATOM 960 CB ASN A1956 22.850 19.078 10.135 1.00 21.10 C ATOM 961 CG ASN A1956 23.200 18.627 11.520 1.00 28.08 C ATOM 962 OD1 ASN A1956 22.329 18.380 12.359 1.00 20.72 O ATOM 963 ND2 ASN A1956 24.491 18.494 11.787 1.00 19.37 N ATOM 964 HD22 ASN A1956 25.198 18.711 11.056 1.00 0.00 H ATOM 965 HD21 ASN A1956 24.797 18.173 12.728 1.00 0.00 H ATOM 966 H ASN A1956 21.696 16.833 9.569 1.00 0.00 H ATOM 967 N MET A1957 21.502 19.369 7.367 1.00 20.74 N ATOM 968 CA MET A1957 21.311 20.065 6.092 1.00 19.58 C ATOM 969 C MET A1957 19.824 20.234 5.766 1.00 22.78 C ATOM 970 O MET A1957 19.438 21.282 5.253 1.00 23.00 O ATOM 971 CB MET A1957 22.039 19.337 4.941 1.00 21.09 C ATOM 972 CG MET A1957 23.556 19.506 4.929 1.00 25.84 C ATOM 973 SD MET A1957 24.210 21.159 5.282 1.00 32.33 S ATOM 974 CE MET A1957 23.551 22.090 3.918 1.00 28.63 C ATOM 975 H MET A1957 22.023 18.469 7.353 1.00 0.00 H ATOM 976 N ARG A1958 18.997 19.220 6.072 1.00 19.07 N ATOM 977 CA ARG A1958 17.551 19.302 5.861 1.00 19.32 C ATOM 978 C ARG A1958 16.955 20.429 6.728 1.00 24.09 C ATOM 979 O ARG A1958 16.301 21.313 6.191 1.00 23.59 O ATOM 980 CB ARG A1958 16.867 17.963 6.175 1.00 18.69 C ATOM 981 CG ARG A1958 15.372 17.995 5.889 1.00 23.36 C ATOM 982 CD ARG A1958 14.623 16.868 6.552 1.00 26.79 C ATOM 983 NE ARG A1958 14.966 15.551 6.008 1.00 27.94 N ATOM 984 CZ ARG A1958 14.420 15.007 4.928 1.00 34.80 C ATOM 985 NH1 ARG A1958 13.528 15.684 4.210 1.00 24.41 N ATOM 986 NH2 ARG A1958 14.762 13.787 4.552 1.00 18.47 N ATOM 987 HE ARG A1958 15.694 15.000 6.507 1.00 0.00 H ATOM 988 HH12 ARG A1958 13.104 15.251 3.365 1.00 0.00 H ATOM 989 HH11 ARG A1958 13.254 16.646 4.494 1.00 0.00 H ATOM 990 HH22 ARG A1958 14.332 13.364 3.705 1.00 0.00 H ATOM 991 HH21 ARG A1958 15.461 13.250 5.103 1.00 0.00 H ATOM 992 H ARG A1958 19.398 18.348 6.472 1.00 0.00 H ATOM 993 N LYS A1959 17.213 20.405 8.061 1.00 21.76 N ATOM 994 CA LYS A1959 16.755 21.432 9.011 1.00 22.33 C ATOM 995 C LYS A1959 17.223 22.830 8.543 1.00 26.71 C ATOM 996 O LYS A1959 16.426 23.776 8.539 1.00 26.60 O ATOM 997 CB LYS A1959 17.259 21.118 10.444 1.00 24.14 C ATOM 998 CG LYS A1959 16.788 22.095 11.520 1.00 42.49 C ATOM 999 CD LYS A1959 15.430 21.727 12.110 1.00 50.80 C ATOM 1000 H LYS A1959 17.770 19.610 8.435 1.00 0.00 H ATOM 1001 N TYR A1960 18.490 22.934 8.101 1.00 23.31 N ATOM 1002 CA TYR A1960 19.076 24.172 7.585 1.00 23.78 C ATOM 1003 C TYR A1960 18.288 24.653 6.350 1.00 26.87 C ATOM 1004 O TYR A1960 17.882 25.820 6.302 1.00 27.06 O ATOM 1005 CB TYR A1960 20.570 23.960 7.271 1.00 24.83 C ATOM 1006 CG TYR A1960 21.345 25.215 6.932 1.00 26.84 C ATOM 1007 CD1 TYR A1960 21.670 26.149 7.917 1.00 30.60 C ATOM 1008 CD2 TYR A1960 21.886 25.398 5.664 1.00 26.84 C ATOM 1009 CE1 TYR A1960 22.426 27.286 7.616 1.00 30.76 C ATOM 1010 CE2 TYR A1960 22.643 26.522 5.352 1.00 27.34 C ATOM 1011 CZ TYR A1960 22.906 27.468 6.328 1.00 33.75 C ATOM 1012 OH TYR A1960 23.657 28.568 5.989 1.00 31.08 O ATOM 1013 HH TYR A1960 24.548 28.273 5.675 1.00 0.00 H ATOM 1014 H TYR A1960 19.088 22.084 8.128 1.00 0.00 H ATOM 1015 N PHE A1961 18.022 23.749 5.391 1.00 22.98 N ATOM 1016 CA PHE A1961 17.231 24.068 4.198 1.00 22.27 C ATOM 1017 C PHE A1961 15.808 24.529 4.536 1.00 25.68 C ATOM 1018 O PHE A1961 15.355 25.540 3.995 1.00 24.65 O ATOM 1019 CB PHE A1961 17.132 22.859 3.238 1.00 22.58 C ATOM 1020 CG PHE A1961 16.164 23.094 2.090 1.00 23.63 C ATOM 1021 CD1 PHE A1961 16.450 24.027 1.089 1.00 25.06 C ATOM 1022 CD2 PHE A1961 14.940 22.425 2.037 1.00 24.54 C ATOM 1023 CE1 PHE A1961 15.546 24.256 0.039 1.00 24.29 C ATOM 1024 CE2 PHE A1961 14.046 22.648 0.978 1.00 25.68 C ATOM 1025 CZ PHE A1961 14.350 23.568 -0.005 1.00 22.79 C ATOM 1026 H PHE A1961 18.393 22.783 5.500 1.00 0.00 H ATOM 1027 N GLU A1962 15.081 23.741 5.353 1.00 22.09 N ATOM 1028 CA GLU A1962 13.684 24.032 5.684 1.00 23.56 C ATOM 1029 C GLU A1962 13.496 25.382 6.354 1.00 29.21 C ATOM 1030 O GLU A1962 12.493 26.048 6.065 1.00 29.12 O ATOM 1031 CB GLU A1962 13.055 22.921 6.533 1.00 24.63 C ATOM 1032 CG GLU A1962 12.925 21.596 5.785 1.00 24.13 C ATOM 1033 CD GLU A1962 12.261 21.567 4.408 1.00 37.10 C ATOM 1034 OE1 GLU A1962 11.509 22.503 4.049 1.00 26.58 O ATOM 1035 OE2 GLU A1962 12.476 20.567 3.692 1.00 28.76 O ATOM 1036 H GLU A1962 15.528 22.896 5.763 1.00 0.00 H ATOM 1037 N LYS A1963 14.456 25.824 7.195 1.00 27.26 N ATOM 1038 CA LYS A1963 14.341 27.152 7.810 1.00 27.98 C ATOM 1039 C LYS A1963 14.478 28.244 6.727 1.00 32.23 C ATOM 1040 O LYS A1963 13.599 29.106 6.628 1.00 33.21 O ATOM 1041 CB LYS A1963 15.366 27.364 8.939 1.00 31.13 C ATOM 1042 CG LYS A1963 15.248 28.773 9.545 1.00 36.34 C ATOM 1043 CD LYS A1963 16.142 29.035 10.734 1.00 43.73 C ATOM 1044 CE LYS A1963 16.309 30.521 11.041 1.00 50.18 C ATOM 1045 NZ LYS A1963 15.012 31.240 11.189 1.00 44.48 N ATOM 1046 HZ1 LYS A1963 14.470 31.160 10.305 1.00 0.00 H ATOM 1047 HZ2 LYS A1963 14.469 30.817 11.969 1.00 0.00 H ATOM 1048 HZ3 LYS A1963 15.195 32.243 11.396 1.00 0.00 H ATOM 1049 H LYS A1963 15.278 25.223 7.407 1.00 0.00 H ATOM 1050 N LYS A1964 15.570 28.197 5.917 1.00 27.27 N ATOM 1051 CA LYS A1964 15.820 29.164 4.844 1.00 27.19 C ATOM 1052 C LYS A1964 14.626 29.190 3.880 1.00 32.06 C ATOM 1053 O LYS A1964 14.282 30.251 3.386 1.00 31.11 O ATOM 1054 CB LYS A1964 17.128 28.850 4.061 1.00 28.54 C ATOM 1055 CG LYS A1964 18.422 28.742 4.892 1.00 36.86 C ATOM 1056 CD LYS A1964 19.162 30.067 5.069 1.00 44.05 C ATOM 1057 CE LYS A1964 19.971 30.184 6.349 1.00 45.80 C ATOM 1058 NZ LYS A1964 19.114 30.513 7.551 1.00 36.52 N ATOM 1059 HZ1 LYS A1964 18.632 31.421 7.393 1.00 0.00 H ATOM 1060 HZ2 LYS A1964 18.407 29.763 7.687 1.00 0.00 H ATOM 1061 HZ3 LYS A1964 19.716 30.581 8.396 1.00 0.00 H ATOM 1062 H LYS A1964 16.263 27.436 6.067 1.00 0.00 H ATOM 1063 N TRP A1965 13.978 28.028 3.638 1.00 29.49 N ATOM 1064 CA TRP A1965 12.826 27.914 2.731 1.00 29.40 C ATOM 1065 C TRP A1965 11.564 28.618 3.290 1.00 35.08 C ATOM 1066 O TRP A1965 10.876 29.313 2.530 1.00 35.13 O ATOM 1067 CB TRP A1965 12.538 26.446 2.429 1.00 27.41 C ATOM 1068 CG TRP A1965 11.560 26.231 1.318 1.00 28.48 C ATOM 1069 CD1 TRP A1965 10.275 25.791 1.434 1.00 31.92 C ATOM 1070 CD2 TRP A1965 11.799 26.412 -0.087 1.00 27.72 C ATOM 1071 NE1 TRP A1965 9.720 25.624 0.185 1.00 31.63 N ATOM 1072 CE2 TRP A1965 10.620 26.034 -0.764 1.00 32.49 C ATOM 1073 CE3 TRP A1965 12.909 26.822 -0.843 1.00 28.01 C ATOM 1074 CZ2 TRP A1965 10.502 26.106 -2.163 1.00 31.56 C ATOM 1075 CZ3 TRP A1965 12.806 26.857 -2.226 1.00 29.09 C ATOM 1076 CH2 TRP A1965 11.615 26.505 -2.873 1.00 30.22 C ATOM 1077 HE1 TRP A1965 8.770 25.247 -0.007 1.00 0.00 H ATOM 1078 H TRP A1965 14.312 27.169 4.119 1.00 0.00 H ATOM 1079 N THR A1966 11.270 28.446 4.603 1.00 31.98 N ATOM 1080 CA THR A1966 10.133 29.093 5.270 1.00 32.57 C ATOM 1081 C THR A1966 10.384 30.606 5.344 1.00 37.24 C ATOM 1082 O THR A1966 9.495 31.390 5.010 1.00 37.21 O ATOM 1083 CB THR A1966 9.884 28.492 6.673 1.00 40.95 C ATOM 1084 OG1 THR A1966 9.555 27.123 6.541 1.00 42.95 O ATOM 1085 CG2 THR A1966 8.741 29.178 7.417 1.00 43.32 C ATOM 1086 HG1 THR A1966 10.303 26.646 6.103 1.00 0.00 H ATOM 1087 H THR A1966 11.882 27.823 5.167 1.00 0.00 H ATOM 1088 N ASP A1967 11.594 31.007 5.773 1.00 33.50 N ATOM 1089 CA ASP A1967 11.966 32.411 5.911 1.00 33.31 C ATOM 1090 C ASP A1967 11.958 33.173 4.576 1.00 37.81 C ATOM 1091 O ASP A1967 11.651 34.372 4.577 1.00 37.62 O ATOM 1092 CB ASP A1967 13.348 32.540 6.572 1.00 34.35 C ATOM 1093 CG ASP A1967 13.382 32.118 8.031 1.00 41.85 C ATOM 1094 OD1 ASP A1967 12.291 31.891 8.617 1.00 41.10 O ATOM 1095 OD2 ASP A1967 14.496 31.994 8.586 1.00 46.71 O ATOM 1096 H ASP A1967 12.298 30.282 6.018 1.00 0.00 H ATOM 1097 N THR A1968 12.315 32.504 3.454 1.00 34.12 N ATOM 1098 CA THR A1968 12.372 33.161 2.141 1.00 34.02 C ATOM 1099 C THR A1968 10.986 33.214 1.488 1.00 39.37 C ATOM 1100 O THR A1968 10.663 34.215 0.860 1.00 39.44 O ATOM 1101 CB THR A1968 13.390 32.453 1.229 1.00 39.01 C ATOM 1102 OG1 THR A1968 14.619 32.316 1.939 1.00 36.71 O ATOM 1103 CG2 THR A1968 13.637 33.196 -0.093 1.00 34.53 C ATOM 1104 HG1 THR A1968 14.468 31.779 2.757 1.00 0.00 H ATOM 1105 H THR A1968 12.556 31.495 3.524 1.00 0.00 H ATOM 1106 N PHE A1969 10.207 32.118 1.575 1.00 36.46 N ATOM 1107 CA PHE A1969 8.893 32.010 0.949 1.00 38.84 C ATOM 1108 C PHE A1969 7.850 31.585 1.974 1.00 87.82 C ATOM 1109 O PHE A1969 6.668 31.861 1.794 1.00 61.92 O ATOM 1110 CB PHE A1969 8.931 31.006 -0.227 1.00 39.62 C ATOM 1111 CG PHE A1969 10.107 31.107 -1.179 1.00 39.36 C ATOM 1112 CD1 PHE A1969 10.128 32.070 -2.186 1.00 40.67 C ATOM 1113 CD2 PHE A1969 11.160 30.200 -1.111 1.00 39.85 C ATOM 1114 CE1 PHE A1969 11.205 32.152 -3.075 1.00 40.83 C ATOM 1115 CE2 PHE A1969 12.239 30.287 -1.997 1.00 41.84 C ATOM 1116 CZ PHE A1969 12.253 31.260 -2.976 1.00 39.67 C ATOM 1117 H PHE A1969 10.561 31.305 2.118 1.00 0.00 H TER 1118 PHE A1969 HETATM 1119 O HOH 1 25.888 13.011 -2.814 1.00 15.11 O HETATM 1120 O HOH 2 20.172 11.296 7.241 1.00 21.70 O HETATM 1121 O HOH 3 23.189 12.730 -7.896 1.00 17.75 O HETATM 1122 O HOH 4 28.630 25.820 8.351 1.00 28.42 O HETATM 1123 O HOH 5 23.483 13.045 -2.514 1.00 11.58 O HETATM 1124 O HOH 6 30.112 14.751 -2.615 1.00 20.45 O HETATM 1125 O HOH 7 28.928 8.471 7.680 1.00 21.21 O HETATM 1126 O HOH 8 15.368 7.854 -4.846 1.00 25.81 O HETATM 1127 O HOH 9 15.382 26.514 -13.348 1.00 18.76 O HETATM 1128 O HOH 10 18.507 27.742 8.107 1.00 20.95 O HETATM 1129 O HOH 11 18.977 13.060 5.465 1.00 23.40 O HETATM 1130 O HOH 12 26.217 1.402 -6.767 1.00 25.21 O HETATM 1131 O HOH 13 15.108 35.593 -10.316 1.00 27.76 O HETATM 1132 O HOH 14 16.443 2.294 4.207 1.00 34.59 O HETATM 1133 O HOH 15 22.058 21.503 -18.204 1.00 29.16 O HETATM 1134 O HOH 16 18.691 4.908 11.103 1.00 25.80 O HETATM 1135 O HOH 17 14.724 5.248 -3.817 1.00 29.10 O HETATM 1136 O HOH 18 24.097 32.866 -5.083 1.00 35.44 O HETATM 1137 O HOH 19 11.201 14.910 -3.052 1.00 26.11 O HETATM 1138 O HOH 20 9.772 36.326 -6.413 1.00 24.96 O HETATM 1139 O HOH 21 24.501 -0.933 -6.767 1.00 26.32 O HETATM 1140 O HOH 22 -9.387 30.379 -8.555 1.00 27.28 O HETATM 1141 O HOH 23 30.764 23.193 1.910 1.00 29.84 O HETATM 1142 O HOH 24 25.289 4.257 7.563 1.00 34.83 O HETATM 1143 O HOH 25 12.089 18.010 4.347 1.00 28.73 O HETATM 1144 O HOH 26 10.515 14.730 1.364 1.00 35.53 O HETATM 1145 O HOH 27 8.072 31.134 -11.710 1.00 33.16 O HETATM 1146 O HOH 28 12.708 17.941 -11.296 1.00 46.14 O HETATM 1147 O HOH 29 8.208 17.920 -0.519 1.00 37.41 O HETATM 1148 O HOH 30 26.884 22.010 -11.097 1.00 35.13 O HETATM 1149 O HOH 31 28.136 21.202 -5.151 1.00 29.26 O HETATM 1150 O HOH 32 19.748 8.793 8.162 1.00 20.12 O HETATM 1151 O HOH 33 30.022 7.662 10.215 1.00 40.32 O HETATM 1152 O HOH 34 28.650 7.380 14.899 1.00 37.25 O HETATM 1153 O HOH 35 26.831 27.804 8.510 1.00 49.28 O HETATM 1154 O HOH 36 9.612 15.567 -0.980 1.00 31.32 O HETATM 1155 O HOH 37 29.194 -1.802 -6.899 1.00 38.31 O HETATM 1156 O HOH 38 30.521 5.489 4.814 1.00 43.60 O HETATM 1157 O HOH 39 21.560 18.294 15.101 1.00 37.23 O HETATM 1158 O HOH 40 21.286 4.691 13.593 1.00 26.06 O HETATM 1159 O HOH 41 16.304 7.721 8.939 1.00 40.32 O HETATM 1160 O HOH 42 14.304 24.111 10.445 1.00 42.52 O HETATM 1161 O HOH 43 34.124 21.381 12.857 1.00 32.11 O HETATM 1162 O HOH 44 27.473 30.035 -6.029 1.00 44.88 O HETATM 1163 O HOH 45 21.285 19.014 -16.982 1.00 35.32 O HETATM 1164 O HOH 46 17.416 34.317 0.743 1.00 46.17 O HETATM 1165 O HOH 47 21.970 30.604 -15.799 1.00 36.68 O HETATM 1166 O HOH 48 33.086 20.931 4.916 1.00 36.06 O HETATM 1167 O HOH 49 18.041 1.481 -9.701 1.00 38.79 O HETATM 1168 O HOH 50 22.134 18.119 -14.579 1.00 47.76 O HETATM 1169 O HOH 51 9.323 36.081 -2.172 1.00 56.32 O HETATM 1170 O HOH 52 13.871 19.466 9.250 1.00 54.11 O HETATM 1171 O HOH 53 32.311 15.924 -2.947 1.00 32.08 O HETATM 1172 O HOH 54 8.360 29.854 -8.990 1.00 31.87 O HETATM 1173 O HOH 55 11.183 11.481 -6.391 1.00 49.40 O HETATM 1174 O HOH 56 32.954 12.012 -7.192 1.00 51.04 O HETATM 1175 O HOH 57 11.796 19.629 -13.057 1.00 45.91 O HETATM 1176 O HOH 58 31.471 9.164 6.419 1.00 28.44 O HETATM 1177 O HOH 59 32.759 19.942 -5.360 1.00 44.88 O HETATM 1178 O HOH 60 8.132 20.220 4.700 1.00 46.25 O HETATM 1179 O HOH 61 17.209 11.722 13.964 1.00 58.39 O HETATM 1180 O HOH 62 20.954 16.113 13.143 1.00 44.30 O HETATM 1181 O HOH 63 29.292 26.538 -6.878 1.00 42.66 O HETATM 1182 O HOH 64 12.081 9.818 -2.377 1.00 49.00 O HETATM 1183 O HOH 65 15.009 15.119 9.563 1.00 49.43 O HETATM 1184 O HOH 66 21.018 8.975 15.974 1.00 46.19 O HETATM 1185 O HOH 67 7.291 23.843 0.231 1.00 58.61 O HETATM 1186 O HOH 68 34.405 19.531 -7.789 1.00 51.02 O HETATM 1187 O HOH 69 14.325 14.918 -10.107 1.00 34.24 O HETATM 1188 O HOH 70 26.016 26.425 -12.595 1.00 47.57 O HETATM 1189 O HOH 71 25.007 18.079 -14.011 1.00 46.97 O HETATM 1190 O HOH 72 21.554 10.765 -3.943 1.00 22.14 O HETATM 1191 O HOH 73 17.055 14.166 7.184 1.00 34.54 O HETATM 1192 O HOH 74 30.762 11.460 -8.377 1.00 31.16 O HETATM 1193 O HOH 75 27.071 6.624 6.534 1.00 30.86 O HETATM 1194 O HOH 76 -7.618 38.004 -8.298 1.00 29.48 O HETATM 1195 O HOH 77 26.245 23.920 -13.127 1.00 32.43 O HETATM 1196 O HOH 78 26.232 9.295 -11.706 1.00 44.83 O HETATM 1197 O HOH 79 10.097 24.670 4.925 1.00 30.30 O HETATM 1198 O HOH 80 19.881 17.289 16.966 1.00 42.18 O HETATM 1199 O HOH 81 -6.646 28.999 -16.335 1.00 33.28 O HETATM 1200 O HOH 82 26.726 8.488 18.214 1.00 36.83 O HETATM 1201 O HOH 83 7.499 18.394 2.767 1.00 59.33 O HETATM 1202 O HOH 84 20.943 11.522 12.694 1.00 41.77 O HETATM 1203 O HOH 85 27.370 2.842 -12.858 1.00 40.70 O HETATM 1204 O HOH 86 6.228 25.691 -3.261 1.00 54.93 O HETATM 1205 O HOH 87 28.152 23.085 -8.962 1.00 37.74 O HETATM 1206 O HOH 88 12.822 8.776 -5.116 1.00 36.27 O HETATM 1207 O HOH 89 31.916 7.522 3.821 1.00 62.24 O HETATM 1208 O HOH 90 4.946 25.881 -7.109 1.00 56.30 O HETATM 1209 O HOH 91 11.206 12.443 4.249 1.00 51.88 O HETATM 1210 O HOH 92 30.541 21.242 -8.602 1.00 45.71 O HETATM 1211 O HOH 93 21.259 34.839 -6.422 1.00 41.29 O HETATM 1212 O HOH 94 31.043 24.164 -2.399 1.00 53.34 O HETATM 1213 O HOH 95 13.523 7.470 -11.893 1.00 60.88 O HETATM 1214 O HOH 96 6.641 27.270 -0.673 1.00 50.25 O HETATM 1215 O HOH 97 31.003 26.676 -3.386 1.00 54.64 O HETATM 1216 O HOH 98 4.264 31.456 -7.828 1.00 65.15 O HETATM 1217 O HOH 99 5.550 30.056 -2.232 1.00 48.52 O HETATM 1218 O HOH 100 13.227 8.712 3.212 1.00 51.85 O HETATM 1219 O HOH 101 32.168 4.469 0.952 1.00 39.71 O HETATM 1220 O HOH 102 11.053 8.771 1.566 1.00 59.82 O HETATM 1221 O HOH 103 7.423 28.019 1.860 1.00 52.72 O HETATM 1222 O HOH 104 22.317 1.019 -16.215 1.00 46.37 O HETATM 1223 O HOH 105 6.661 44.363 2.774 1.00 66.33 O HETATM 1224 O HOH 106 32.841 25.023 4.183 1.00 62.52 O HETATM 1225 O HOH 107 34.370 18.766 0.209 1.00 51.96 O HETATM 1226 O HOH 108 8.699 17.379 -9.697 1.00 59.52 O HETATM 1227 O HOH 109 2.589 41.895 -7.482 1.00 56.92 O HETATM 1228 O HOH 110 16.927 32.193 7.376 1.00 51.19 O HETATM 1229 O HOH 111 12.187 41.621 -9.445 1.00 45.38 O HETATM 1230 O HOH 112 28.656 28.064 -3.664 1.00 61.71 O HETATM 1231 O HOH 113 34.700 9.457 -6.157 1.00 58.42 O HETATM 1232 O HOH 114 11.890 6.396 -6.015 1.00 60.19 O HETATM 1233 O HOH 115 -14.348 28.963 -14.487 1.00 22.97 O HETATM 1234 O HOH 116 11.776 18.033 -8.795 1.00 29.93 O HETATM 1235 O HOH 117 26.292 28.211 4.589 1.00 28.80 O HETATM 1236 O HOH 118 23.182 10.580 16.320 1.00 40.81 O HETATM 1237 O HOH 119 32.558 12.214 14.475 1.00 59.58 O HETATM 1238 O HOH 120 17.281 38.619 0.015 1.00 60.80 O HETATM 1239 O HOH 121 -6.669 29.710 -8.362 1.00 56.99 O HETATM 1240 O HOH 122 9.811 35.331 8.550 1.00 66.96 O HETATM 1241 O HOH 123 25.788 -3.954 -4.549 1.00 49.04 O HETATM 1242 O HOH 124 17.712 16.584 -15.933 1.00 45.68 O HETATM 1243 O HOH 125 34.563 0.125 -3.910 1.00 61.34 O HETATM 1244 O HOH 126 17.258 6.754 14.816 1.00 39.87 O HETATM 1245 O HOH 127 17.788 17.239 -19.699 1.00 48.38 O HETATM 1246 O HOH 128 -3.458 27.893 -5.944 1.00 50.86 O HETATM 1247 O HOH 129 16.338 39.497 -3.701 1.00 56.61 O HETATM 1248 O HOH 130 15.418 36.959 0.942 1.00 47.12 O HETATM 1249 O HOH 131 16.496 33.213 4.686 1.00 57.76 O HETATM 1250 O HOH 132 5.951 18.169 -9.386 1.00 60.04 O HETATM 1251 O HOH 133 25.573 7.445 -13.707 1.00 66.76 O HETATM 1252 O HOH 134 -5.244 37.857 -10.619 1.00 50.49 O HETATM 1253 O HOH 135 -0.191 38.387 -3.766 1.00 62.05 O HETATM 1254 O HOH 136 35.224 0.618 -11.118 1.00 62.15 O HETATM 1255 O HOH 137 22.228 29.024 -10.605 1.00 35.47 O HETATM 1256 O HOH 138 18.506 32.630 2.510 1.00 43.48 O HETATM 1257 O HOH 139 32.780 7.245 -2.609 1.00 55.27 O HETATM 1258 O HOH 140 5.943 28.976 -8.561 1.00 38.37 O HETATM 1259 O HOH 141 20.620 14.449 18.577 1.00 51.89 O HETATM 1260 O HOH 142 14.512 10.403 10.739 1.00 55.78 O HETATM 1261 O HOH 143 21.832 13.017 16.649 1.00 56.45 O HETATM 1262 O HOH 144 5.334 21.001 -11.792 1.00 54.32 O HETATM 1263 O HOH 145 24.247 13.667 -12.240 1.00 55.00 O HETATM 1264 O HOH 146 15.925 1.424 10.984 1.00 72.38 O HETATM 1265 O HOH 147 27.785 16.887 -11.504 1.00 47.05 O HETATM 1266 O HOH 148 8.588 4.169 6.462 1.00 66.56 O HETATM 1267 O HOH 149 16.845 39.007 -6.673 1.00 49.86 O HETATM 1268 O HOH 150 14.765 18.006 -16.321 1.00 44.79 O HETATM 1269 O HOH 151 12.253 15.409 -7.369 1.00 39.76 O HETATM 1270 O HOH 152 6.764 20.807 -2.974 1.00 58.13 O HETATM 1271 O HOH 153 12.871 13.862 8.461 1.00 51.42 O HETATM 1272 O HOH 154 11.622 22.807 14.197 1.00 47.95 O HETATM 1273 O HOH 155 37.465 22.715 -4.571 1.00 69.55 O HETATM 1274 O HOH 156 3.419 33.467 -9.730 1.00 59.29 O HETATM 1275 O HOH 157 4.138 26.228 -12.422 1.00 56.08 O HETATM 1276 O HOH 158 11.863 23.811 -16.370 1.00 44.47 O HETATM 1277 O HOH 159 12.205 12.449 -1.923 1.00 26.25 O HETATM 1278 O HOH 160 18.670 0.668 11.112 1.00 53.86 O HETATM 1279 O HOH 161 16.304 17.528 10.075 1.00 30.30 O HETATM 1280 O HOH 162 23.064 12.030 -10.514 1.00 20.62 O HETATM 1281 O HOH 163 24.040 11.103 -5.877 1.00 15.50 O HETATM 1282 O HOH 164 24.778 8.921 -7.775 1.00 19.57 O HETATM 1283 O HOH 165 28.358 7.756 -10.647 1.00 29.59 O HETATM 1284 O HOH 166 24.041 9.422 -10.240 1.00 23.95 O HETATM 1285 O HOH 167 22.312 7.950 -11.736 1.00 30.21 O HETATM 1286 O HOH 168 30.146 12.276 -4.039 1.00 22.57 O HETATM 1287 O HOH 169 30.832 9.026 -3.875 1.00 30.20 O HETATM 1288 O HOH 170 28.122 0.000 0.000 1.00 67.56 O HETATM 1289 O HOH 171 20.042 4.393 -9.200 1.00 31.28 O HETATM 1290 O HOH 172 30.221 9.572 -10.137 1.00 50.74 O HETATM 1291 O HOH 173 20.326 9.807 -12.333 1.00 39.99 O HETATM 1292 O HOH 174 23.909 5.221 -13.957 1.00 67.29 O HETATM 1293 O HOH 175 18.029 6.558 -11.994 1.00 49.91 O HETATM 1294 O HOH 176 17.639 11.161 -10.175 1.00 41.07 O HETATM 1295 O HOH 177 22.353 9.302 -0.109 1.00 16.96 O HETATM 1296 O HOH 178 21.953 12.020 -0.597 1.00 22.48 O HETATM 1297 O HOH 179 31.965 20.861 2.541 1.00 38.32 O HETATM 1298 O HOH 180 26.871 22.845 -6.628 1.00 38.38 O HETATM 1299 O HOH 181 20.855 5.609 -11.413 1.00 32.11 O HETATM 1300 O HOH 182 15.273 12.588 -10.577 1.00 44.62 O HETATM 1301 O HOH 183 10.988 13.983 -5.536 1.00 40.89 O HETATM 1302 O HOH 184 32.716 12.341 -4.570 1.00 45.45 O HETATM 1303 O HOH 185 10.101 16.302 3.346 1.00 48.52 O HETATM 1304 O HOH 186 20.161 16.313 -14.688 1.00 43.21 O HETATM 1305 O HOH 187 32.858 16.245 -0.577 1.00 53.09 O HETATM 1306 O HOH 188 20.540 12.229 -10.629 1.00 40.19 O HETATM 1307 O HOH 189 17.874 9.276 -12.051 1.00 41.20 O HETATM 1308 O HOH 190 32.838 6.989 0.093 1.00 44.09 O HETATM 1309 O HOH 191 20.578 13.688 14.238 1.00 49.83 O HETATM 1310 O HOH 192 7.295 23.473 -2.375 1.00 51.80 O HETATM 1311 O HOH 193 26.689 30.815 3.977 1.00 55.22 O HETATM 1312 O HOH 194 17.266 3.663 -10.903 1.00 50.17 O HETATM 1313 O HOH 195 6.616 22.596 2.471 1.00 76.98 O HETATM 1314 O HOH 196 26.380 30.567 -8.996 1.00 55.98 O HETATM 1315 O HOH 197 20.014 31.115 10.130 1.00 61.56 O HETATM 1316 O HOH 198 26.343 31.503 1.348 1.00 49.50 O HETATM 1317 O HOH 199 14.838 8.098 -1.456 1.00 50.63 O HETATM 1318 O HOH 200 12.661 29.965 11.947 1.00 56.38 O HETATM 1319 O HOH 201 33.259 0.000 0.000 1.00 95.95 O HETATM 1320 O HOH 202 25.655 15.958 -12.557 1.00 64.45 O HETATM 1321 C01 UNN A 203 25.111 11.359 0.398 1.00 0.02 C HETATM 1322 N02 UNN A 203 26.219 10.339 0.420 1.00 -0.29 N HETATM 1323 C03 UNN A 203 25.859 8.902 0.811 1.00 0.20 C HETATM 1324 C04 UNN A 203 26.965 7.887 0.831 1.00 0.08 C HETATM 1325 C05 UNN A 203 26.571 6.540 1.256 1.00 -0.05 C HETATM 1326 C06 UNN A 203 27.548 5.501 1.404 1.00 -0.07 C HETATM 1327 C07 UNN A 203 28.926 5.790 1.013 1.00 -0.07 C HETATM 1328 C08 UNN A 203 29.358 7.053 0.552 1.00 -0.03 C HETATM 1329 C09 UNN A 203 28.413 8.132 0.461 1.00 0.11 C HETATM 1330 O10 UNN A 203 28.795 9.376 0.018 1.00 -0.31 O HETATM 1331 C11 UNN A 203 30.017 9.877 -0.209 1.00 0.09 C HETATM 1332 C12 UNN A 203 29.915 11.103 -1.037 1.00 0.00 C HETATM 1333 C13 UNN A 203 31.292 11.718 -1.279 1.00 0.05 C HETATM 1334 O14 UNN A 203 31.877 12.004 -0.006 1.00 -0.38 O HETATM 1335 C15 UNN A 203 32.034 10.795 0.962 1.00 0.05 C HETATM 1336 C16 UNN A 203 30.721 10.087 1.107 1.00 0.00 C HETATM 1337 H UNN A 203 30.901 9.105 1.569 1.00 0.03 H HETATM 1338 H UNN A 203 30.070 10.686 1.761 1.00 0.03 H HETATM 1339 H UNN A 203 32.365 11.156 1.947 1.00 0.06 H HETATM 1340 H UNN A 203 32.782 10.098 0.557 1.00 0.06 H HETATM 1341 H UNN A 203 31.189 12.646 -1.860 1.00 0.06 H HETATM 1342 H UNN A 203 31.926 11.008 -1.831 1.00 0.06 H HETATM 1343 H UNN A 203 29.280 11.836 -0.517 1.00 0.03 H HETATM 1344 H UNN A 203 29.461 10.846 -2.005 1.00 0.03 H HETATM 1345 H UNN A 203 30.595 9.137 -0.782 1.00 0.07 H HETATM 1346 H UNN A 203 30.393 7.207 0.269 1.00 0.06 H HETATM 1347 H UNN A 203 29.656 4.992 1.081 1.00 0.06 H HETATM 1348 H UNN A 203 27.272 4.528 1.795 1.00 0.05 H HETATM 1349 H UNN A 203 25.528 6.327 1.461 1.00 0.06 H HETATM 1350 O17 UNN A 203 24.565 8.600 1.128 1.00 -0.39 O HETATM 1351 H UNN A 203 27.158 10.591 0.187 1.00 0.18 H HETATM 1352 H UNN A 203 25.519 12.337 0.102 1.00 0.05 H HETATM 1353 H UNN A 203 24.664 11.437 1.400 1.00 0.05 H HETATM 1354 H UNN A 203 24.341 11.049 -0.324 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1321 1322 1352 1353 1354 CONECT 1322 1321 1323 1351 CONECT 1323 1322 1324 1350 CONECT 1324 1323 1325 1329 CONECT 1325 1324 1326 1349 CONECT 1326 1325 1327 1348 CONECT 1327 1326 1328 1347 CONECT 1328 1327 1329 1346 CONECT 1329 1324 1328 1330 CONECT 1330 1329 1331 CONECT 1331 1330 1332 1336 1345 CONECT 1332 1331 1333 1343 1344 CONECT 1333 1332 1334 1341 1342 CONECT 1334 1333 1335 CONECT 1335 1334 1336 1339 1340 CONECT 1336 1331 1335 1337 1338 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1335 CONECT 1340 1335 CONECT 1341 1333 CONECT 1342 1333 CONECT 1343 1332 CONECT 1344 1332 CONECT 1345 1331 CONECT 1346 1328 CONECT 1347 1327 CONECT 1348 1326 CONECT 1349 1325 CONECT 1350 1323 CONECT 1351 1322 CONECT 1352 1321 CONECT 1353 1321 CONECT 1354 1321 MASTER 0 0 0 0 0 0 0 0 1353 1 38 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4nrb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ir5
RCSB PDB
PDBbind
117aa, >4IR5_1|Chain... *
4ir6
RCSB PDB
PDBbind
117aa, >4IR6_1|Chain... at 100%
4nra
RCSB PDB
PDBbind
117aa, >4NRA_1|Chain... at 100%
4nrc
RCSB PDB
PDBbind
117aa, >4NRC_1|Chain... at 100%
4qc1
RCSB PDB
PDBbind
107aa, >4QC1_1|Chains... at 98%
4rvr
RCSB PDB
PDBbind
117aa, >4RVR_1|Chain... at 100%
4xua
RCSB PDB
PDBbind
117aa, >4XUA_1|Chain... at 100%
4xub
RCSB PDB
PDBbind
117aa, >4XUB_1|Chain... at 100%
5e73
RCSB PDB
PDBbind
116aa, >5E73_1|Chain... at 100%
5e74
RCSB PDB
PDBbind
116aa, >5E74_1|Chain... at 100%
5l8t
RCSB PDB
PDBbind
116aa, >5L8T_1|Chain... at 100%
5l96
RCSB PDB
PDBbind
116aa, >5L96_1|Chain... at 100%
5l97
RCSB PDB
PDBbind
116aa, >5L97_1|Chain... at 100%
5l98
RCSB PDB
PDBbind
116aa, >5L98_1|Chain... at 100%
5l99
RCSB PDB
PDBbind
116aa, >5L99_1|Chain... at 100%
5mge
RCSB PDB
PDBbind
116aa, >5MGE_1|Chain... at 100%
5mgf
RCSB PDB
PDBbind
116aa, >5MGF_1|Chain... at 100%
5mgg
RCSB PDB
PDBbind
116aa, >5MGG_1|Chain... at 100%
5or9
RCSB PDB
PDBbind
117aa, >5OR9_1|Chain... at 100%
5orb
RCSB PDB
PDBbind
117aa, >5ORB_1|Chain... at 100%
6fh6
RCSB PDB
PDBbind
117aa, >6FH6_1|Chain... at 100%
6fh7
RCSB PDB
PDBbind
117aa, >6FH7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5lvq
RCSB PDB
PDBbind
2LX
Entry Information
PDB ID
4nrb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B BAZ2B Bromodomain
Ligand Name
2LX
EC.Number
E.C.-.-.-.-
Resolution
2.08(Å)
Affinity (Kd/Ki/IC50)
IC50=38uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 10183-10187
Ligand Properties
Formula
C
1
3
H
1
7
NO
3
Molecular Weight
235.279
Exact Mass
235.121
No. of atoms
34
No. of bonds
35
Polar Surface Area
47.56
LOGP Value
1.58 (
Computed with XLOGP3
)
1.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CNC(=O)c1ccccc1OC1CCOCC1
InChI String
InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)
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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