Browse entries in the PDBbind-CN Database
HEADER 4IR6_COMPLEX COMPND 4IR6_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 6 48 ATOM 1 N SER A1856 -10.570 29.159 -12.300 1.00 32.20 N ATOM 2 CA SER A1856 -11.142 28.523 -13.521 1.00 31.81 C ATOM 3 C SER A1856 -11.086 29.546 -14.636 1.00 31.47 C ATOM 4 O SER A1856 -10.510 30.641 -14.454 1.00 30.55 O ATOM 5 CB SER A1856 -12.566 28.054 -13.222 1.00 31.94 C ATOM 6 OG SER A1856 -13.438 29.157 -13.214 1.00 32.09 O ATOM 7 HG SER A1856 -13.417 29.599 -14.100 1.00 0.00 H ATOM 8 HN3 SER A1856 -11.132 29.998 -12.052 1.00 0.00 H ATOM 9 HN2 SER A1856 -9.586 29.441 -12.486 1.00 0.00 H ATOM 10 HN1 SER A1856 -10.594 28.480 -11.513 1.00 0.00 H ATOM 11 N MET A1857 -11.597 29.167 -15.811 1.00 30.09 N ATOM 12 CA MET A1857 -11.453 29.942 -16.996 1.00 31.43 C ATOM 13 C MET A1857 -11.914 31.394 -16.763 1.00 30.81 C ATOM 14 O MET A1857 -13.044 31.642 -16.307 1.00 29.30 O ATOM 15 CB MET A1857 -12.238 29.279 -18.151 1.00 30.66 C ATOM 16 CG MET A1857 -11.890 29.838 -19.425 1.00 31.64 C ATOM 17 SD MET A1857 -12.882 29.277 -20.811 1.00 31.23 S ATOM 18 CE MET A1857 -13.389 27.647 -20.382 1.00 30.20 C ATOM 19 H MET A1857 -12.121 28.270 -15.862 1.00 0.00 H ATOM 20 N SER A1858 -10.961 32.310 -16.949 1.00 31.92 N ATOM 21 CA SER A1858 -11.193 33.762 -16.860 1.00 33.88 C ATOM 22 C SER A1858 -11.481 34.266 -15.417 1.00 34.47 C ATOM 23 O SER A1858 -12.037 35.369 -15.220 1.00 37.30 O ATOM 24 CB SER A1858 -12.331 34.192 -17.771 1.00 35.13 C ATOM 25 OG SER A1858 -12.078 33.844 -19.139 1.00 35.28 O ATOM 26 HG SER A1858 -12.839 34.139 -19.700 1.00 0.00 H ATOM 27 H SER A1858 -10.000 31.980 -17.169 1.00 0.00 H ATOM 28 N VAL A1859 -11.173 33.433 -14.434 1.00 33.64 N ATOM 29 CA VAL A1859 -11.369 33.781 -13.024 1.00 36.18 C ATOM 30 C VAL A1859 -10.008 33.592 -12.434 1.00 37.53 C ATOM 31 O VAL A1859 -9.633 32.438 -12.051 1.00 39.74 O ATOM 32 CB VAL A1859 -12.379 32.884 -12.289 1.00 36.81 C ATOM 33 CG1 VAL A1859 -12.425 33.200 -10.777 1.00 40.30 C ATOM 34 CG2 VAL A1859 -13.770 33.033 -12.884 1.00 38.52 C ATOM 35 H VAL A1859 -10.779 32.500 -14.671 1.00 0.00 H ATOM 36 N LYS A1860 -9.276 34.716 -12.356 1.00 38.89 N ATOM 37 CA LYS A1860 -7.902 34.723 -11.823 1.00 39.87 C ATOM 38 C LYS A1860 -7.806 34.875 -10.320 1.00 37.86 C ATOM 39 O LYS A1860 -8.326 35.795 -9.728 1.00 35.59 O ATOM 40 CB LYS A1860 -6.972 35.724 -12.549 1.00 43.78 C ATOM 41 CG LYS A1860 -7.273 37.199 -12.403 1.00 48.25 C ATOM 42 CD LYS A1860 -6.288 38.065 -13.220 1.00 53.47 C ATOM 43 H LYS A1860 -9.693 35.611 -12.683 1.00 0.00 H ATOM 44 N LYS A1861 -7.121 33.910 -9.739 1.00 37.80 N ATOM 45 CA LYS A1861 -6.852 33.833 -8.351 1.00 39.39 C ATOM 46 C LYS A1861 -5.657 34.768 -8.057 1.00 39.51 C ATOM 47 O LYS A1861 -4.761 34.880 -8.876 1.00 37.06 O ATOM 48 CB LYS A1861 -6.502 32.368 -8.062 1.00 42.84 C ATOM 49 CG LYS A1861 -6.271 31.979 -6.629 1.00 48.30 C ATOM 50 CD LYS A1861 -5.728 30.534 -6.588 1.00 53.12 C ATOM 51 CE LYS A1861 -5.977 29.828 -5.261 1.00 58.02 C ATOM 52 NZ LYS A1861 -5.479 30.507 -4.040 1.00 61.37 N ATOM 53 HZ1 LYS A1861 -4.448 30.627 -4.107 1.00 0.00 H ATOM 54 HZ2 LYS A1861 -5.932 31.439 -3.954 1.00 0.00 H ATOM 55 HZ3 LYS A1861 -5.708 29.930 -3.206 1.00 0.00 H ATOM 56 H LYS A1861 -6.751 33.150 -10.344 1.00 0.00 H ATOM 57 N PRO A1862 -5.658 35.446 -6.921 1.00 40.33 N ATOM 58 CA PRO A1862 -4.473 36.169 -6.557 1.00 42.97 C ATOM 59 C PRO A1862 -3.280 35.205 -6.419 1.00 44.40 C ATOM 60 O PRO A1862 -3.462 34.042 -6.020 1.00 45.15 O ATOM 61 CB PRO A1862 -4.810 36.757 -5.189 1.00 44.82 C ATOM 62 CG PRO A1862 -6.304 36.773 -5.146 1.00 44.57 C ATOM 63 CD PRO A1862 -6.725 35.590 -5.919 1.00 42.97 C ATOM 64 N LYS A1863 -2.107 35.671 -6.778 1.00 46.63 N ATOM 65 CA LYS A1863 -0.881 34.832 -6.690 1.00 51.10 C ATOM 66 C LYS A1863 0.257 35.606 -6.067 1.00 52.13 C ATOM 67 O LYS A1863 0.397 36.804 -6.268 1.00 49.47 O ATOM 68 CB LYS A1863 -0.419 34.325 -8.078 1.00 54.12 C ATOM 69 CG LYS A1863 -1.497 33.653 -8.924 1.00 55.45 C ATOM 70 CD LYS A1863 -1.399 32.132 -8.919 1.00 60.02 C ATOM 71 CE LYS A1863 -2.688 31.475 -9.431 1.00 59.40 C ATOM 72 NZ LYS A1863 -2.791 30.076 -8.931 1.00 62.90 N ATOM 73 HZ1 LYS A1863 -1.974 29.528 -9.267 1.00 0.00 H ATOM 74 HZ2 LYS A1863 -2.802 30.081 -7.891 1.00 0.00 H ATOM 75 HZ3 LYS A1863 -3.669 29.646 -9.286 1.00 0.00 H ATOM 76 H LYS A1863 -2.033 36.646 -7.131 1.00 0.00 H ATOM 77 N ARG A1864 1.090 34.886 -5.325 1.00 46.31 N ATOM 78 CA ARG A1864 2.277 35.475 -4.704 1.00 44.95 C ATOM 79 C ARG A1864 3.237 36.024 -5.762 1.00 43.69 C ATOM 80 O ARG A1864 3.264 35.560 -6.911 1.00 43.18 O ATOM 81 CB ARG A1864 2.940 34.491 -3.758 1.00 43.57 C ATOM 82 CG ARG A1864 3.360 33.163 -4.383 1.00 40.89 C ATOM 83 CD ARG A1864 4.074 32.280 -3.390 1.00 39.97 C ATOM 84 NE ARG A1864 5.347 32.865 -2.958 1.00 36.72 N ATOM 85 CZ ARG A1864 6.455 32.864 -3.694 1.00 35.04 C ATOM 86 NH1 ARG A1864 7.557 33.430 -3.218 1.00 32.67 N ATOM 87 NH2 ARG A1864 6.457 32.299 -4.911 1.00 32.99 N ATOM 88 HE ARG A1864 5.386 33.308 -2.018 1.00 0.00 H ATOM 89 HH12 ARG A1864 8.427 33.433 -3.787 1.00 0.00 H ATOM 90 HH11 ARG A1864 7.550 33.870 -2.276 1.00 0.00 H ATOM 91 HH22 ARG A1864 7.325 32.300 -5.483 1.00 0.00 H ATOM 92 HH21 ARG A1864 5.590 31.860 -5.282 1.00 0.00 H ATOM 93 H ARG A1864 0.893 33.875 -5.181 1.00 0.00 H ATOM 94 N ASP A1865 3.940 37.092 -5.397 1.00 43.65 N ATOM 95 CA ASP A1865 5.032 37.647 -6.213 1.00 41.45 C ATOM 96 C ASP A1865 6.185 36.621 -6.259 1.00 34.85 C ATOM 97 O ASP A1865 6.827 36.349 -5.266 1.00 33.47 O ATOM 98 CB ASP A1865 5.502 38.995 -5.621 1.00 43.71 C ATOM 99 CG ASP A1865 6.576 39.679 -6.460 1.00 43.46 C ATOM 100 OD1 ASP A1865 7.207 39.054 -7.329 1.00 40.18 O ATOM 101 OD2 ASP A1865 6.785 40.874 -6.246 1.00 47.20 O ATOM 102 H ASP A1865 3.708 37.556 -4.495 1.00 0.00 H ATOM 103 N ASP A1866 6.401 35.996 -7.409 1.00 32.68 N ATOM 104 CA ASP A1866 7.477 35.013 -7.554 1.00 29.82 C ATOM 105 C ASP A1866 8.798 35.552 -8.166 1.00 28.85 C ATOM 106 O ASP A1866 9.759 34.776 -8.390 1.00 25.71 O ATOM 107 CB ASP A1866 6.994 33.763 -8.317 1.00 30.85 C ATOM 108 CG ASP A1866 6.647 34.046 -9.753 1.00 34.00 C ATOM 109 OD1 ASP A1866 6.632 35.220 -10.150 1.00 35.44 O ATOM 110 OD2 ASP A1866 6.311 33.072 -10.452 1.00 37.39 O ATOM 111 H ASP A1866 5.793 36.209 -8.225 1.00 0.00 H ATOM 112 N SER A1867 8.863 36.863 -8.363 1.00 31.06 N ATOM 113 CA SER A1867 9.963 37.468 -9.140 1.00 33.20 C ATOM 114 C SER A1867 11.360 37.239 -8.526 1.00 31.72 C ATOM 115 O SER A1867 12.369 37.205 -9.249 1.00 32.47 O ATOM 116 CB SER A1867 9.717 38.969 -9.359 1.00 36.03 C ATOM 117 OG SER A1867 9.640 39.697 -8.127 1.00 38.26 O ATOM 118 HG SER A1867 8.895 39.341 -7.581 1.00 0.00 H ATOM 119 H SER A1867 8.125 37.476 -7.962 1.00 0.00 H ATOM 120 N LYS A1868 11.429 37.102 -7.197 1.00 31.04 N ATOM 121 CA LYS A1868 12.699 36.946 -6.491 1.00 31.54 C ATOM 122 C LYS A1868 13.021 35.506 -6.164 1.00 27.85 C ATOM 123 O LYS A1868 14.067 35.231 -5.593 1.00 27.96 O ATOM 124 CB LYS A1868 12.729 37.781 -5.177 1.00 35.04 C ATOM 125 CG LYS A1868 12.393 39.276 -5.322 1.00 40.60 C ATOM 126 CD LYS A1868 13.158 39.967 -6.461 1.00 45.41 C ATOM 127 CE LYS A1868 12.889 41.485 -6.561 1.00 51.10 C ATOM 128 NZ LYS A1868 11.610 41.816 -7.269 1.00 52.86 N ATOM 129 HZ1 LYS A1868 11.644 41.439 -8.238 1.00 0.00 H ATOM 130 HZ2 LYS A1868 10.811 41.389 -6.757 1.00 0.00 H ATOM 131 HZ3 LYS A1868 11.490 42.849 -7.301 1.00 0.00 H ATOM 132 H LYS A1868 10.547 37.107 -6.646 1.00 0.00 H ATOM 133 N ASP A1869 12.158 34.556 -6.556 1.00 26.74 N ATOM 134 CA ASP A1869 12.340 33.188 -6.136 1.00 24.72 C ATOM 135 C ASP A1869 13.668 32.598 -6.568 1.00 23.92 C ATOM 136 O ASP A1869 14.264 31.865 -5.836 1.00 21.73 O ATOM 137 CB ASP A1869 11.194 32.263 -6.623 1.00 24.26 C ATOM 138 CG ASP A1869 9.857 32.569 -5.930 1.00 25.80 C ATOM 139 OD1 ASP A1869 9.819 33.445 -5.011 1.00 25.58 O ATOM 140 OD2 ASP A1869 8.826 31.939 -6.275 1.00 25.77 O ATOM 141 H ASP A1869 11.354 34.807 -7.166 1.00 0.00 H ATOM 142 N LEU A1870 14.046 32.811 -7.816 1.00 24.82 N ATOM 143 CA LEU A1870 15.332 32.296 -8.293 1.00 24.67 C ATOM 144 C LEU A1870 16.530 32.749 -7.457 1.00 24.73 C ATOM 145 O LEU A1870 17.312 31.878 -6.983 1.00 23.78 O ATOM 146 CB LEU A1870 15.531 32.678 -9.776 1.00 26.68 C ATOM 147 CG LEU A1870 16.850 32.190 -10.404 1.00 28.50 C ATOM 148 CD1 LEU A1870 16.932 30.659 -10.436 1.00 26.87 C ATOM 149 CD2 LEU A1870 16.987 32.783 -11.802 1.00 32.78 C ATOM 150 H LEU A1870 13.429 33.345 -8.461 1.00 0.00 H ATOM 151 N ALA A1871 16.649 34.054 -7.234 1.00 26.60 N ATOM 152 CA ALA A1871 17.720 34.593 -6.391 1.00 27.79 C ATOM 153 C ALA A1871 17.654 34.021 -4.957 1.00 26.81 C ATOM 154 O ALA A1871 18.685 33.717 -4.340 1.00 26.72 O ATOM 155 CB ALA A1871 17.706 36.133 -6.379 1.00 30.78 C ATOM 156 H ALA A1871 15.966 34.708 -7.668 1.00 0.00 H ATOM 157 N LEU A1872 16.450 33.895 -4.418 1.00 25.90 N ATOM 158 CA LEU A1872 16.303 33.429 -3.035 1.00 25.02 C ATOM 159 C LEU A1872 16.657 31.937 -2.895 1.00 22.94 C ATOM 160 O LEU A1872 17.312 31.541 -1.941 1.00 21.81 O ATOM 161 CB LEU A1872 14.886 33.708 -2.512 1.00 25.76 C ATOM 162 CG LEU A1872 14.558 35.196 -2.335 1.00 28.75 C ATOM 163 CD1 LEU A1872 13.059 35.415 -2.142 1.00 30.09 C ATOM 164 CD2 LEU A1872 15.348 35.802 -1.180 1.00 30.20 C ATOM 165 H LEU A1872 15.605 34.128 -4.978 1.00 0.00 H ATOM 166 N CYS A1873 16.210 31.111 -3.842 1.00 20.99 N ATOM 167 CA CYS A1873 16.594 29.725 -3.857 1.00 21.47 C ATOM 168 C CYS A1873 18.107 29.546 -4.064 1.00 21.69 C ATOM 169 O CYS A1873 18.705 28.703 -3.448 1.00 19.94 O ATOM 170 CB CYS A1873 15.840 28.928 -4.931 1.00 21.23 C ATOM 171 SG CYS A1873 14.060 28.724 -4.616 1.00 22.40 S ATOM 172 H CYS A1873 15.574 31.475 -4.581 1.00 0.00 H ATOM 173 N SER A1874 18.710 30.377 -4.910 1.00 21.96 N ATOM 174 CA SER A1874 20.157 30.331 -5.108 1.00 21.68 C ATOM 175 C SER A1874 20.890 30.606 -3.779 1.00 23.27 C ATOM 176 O SER A1874 21.826 29.914 -3.440 1.00 22.52 O ATOM 177 CB SER A1874 20.590 31.350 -6.159 1.00 22.20 C ATOM 178 OG SER A1874 21.962 31.199 -6.449 1.00 20.46 O ATOM 179 HG SER A1874 22.229 31.865 -7.131 1.00 0.00 H ATOM 180 H SER A1874 18.143 31.070 -5.439 1.00 0.00 H ATOM 181 N MET A1875 20.455 31.638 -3.069 1.00 23.66 N ATOM 182 CA MET A1875 21.015 32.003 -1.774 1.00 25.59 C ATOM 183 C MET A1875 20.864 30.878 -0.760 1.00 23.61 C ATOM 184 O MET A1875 21.801 30.570 -0.025 1.00 23.65 O ATOM 185 CB MET A1875 20.320 33.252 -1.261 1.00 28.63 C ATOM 186 CG MET A1875 20.845 33.774 0.053 1.00 33.40 C ATOM 187 SD MET A1875 19.957 35.281 0.491 1.00 42.85 S ATOM 188 CE MET A1875 20.324 36.367 -0.896 1.00 44.40 C ATOM 189 H MET A1875 19.679 32.213 -3.454 1.00 0.00 H ATOM 190 N ILE A1876 19.675 30.295 -0.685 1.00 20.70 N ATOM 191 CA ILE A1876 19.469 29.124 0.193 1.00 20.48 C ATOM 192 C ILE A1876 20.411 27.986 -0.171 1.00 19.49 C ATOM 193 O ILE A1876 21.070 27.390 0.705 1.00 18.94 O ATOM 194 CB ILE A1876 18.006 28.631 0.195 1.00 19.36 C ATOM 195 CG1 ILE A1876 17.123 29.720 0.748 1.00 22.90 C ATOM 196 CG2 ILE A1876 17.923 27.364 1.026 1.00 19.85 C ATOM 197 CD1 ILE A1876 15.643 29.407 0.742 1.00 22.63 C ATOM 198 H ILE A1876 18.882 30.664 -1.248 1.00 0.00 H ATOM 199 N LEU A1877 20.516 27.701 -1.466 1.00 18.96 N ATOM 200 CA LEU A1877 21.395 26.639 -1.906 1.00 19.04 C ATOM 201 C LEU A1877 22.858 26.945 -1.564 1.00 19.84 C ATOM 202 O LEU A1877 23.588 26.048 -1.143 1.00 19.94 O ATOM 203 CB LEU A1877 21.296 26.392 -3.435 1.00 18.78 C ATOM 204 CG LEU A1877 22.016 25.193 -4.010 1.00 19.54 C ATOM 205 CD1 LEU A1877 21.717 23.918 -3.267 1.00 19.71 C ATOM 206 CD2 LEU A1877 21.611 25.040 -5.483 1.00 21.42 C ATOM 207 H LEU A1877 19.966 28.242 -2.163 1.00 0.00 H ATOM 208 N THR A1878 23.283 28.193 -1.729 1.00 20.52 N ATOM 209 CA THR A1878 24.626 28.589 -1.299 1.00 21.47 C ATOM 210 C THR A1878 24.849 28.343 0.193 1.00 22.62 C ATOM 211 O THR A1878 25.886 27.756 0.594 1.00 22.29 O ATOM 212 CB THR A1878 24.913 30.033 -1.637 1.00 23.23 C ATOM 213 OG1 THR A1878 24.843 30.154 -3.061 1.00 22.48 O ATOM 214 CG2 THR A1878 26.303 30.504 -1.077 1.00 25.84 C ATOM 215 HG1 THR A1878 23.938 29.896 -3.369 1.00 0.00 H ATOM 216 H THR A1878 22.655 28.896 -2.168 1.00 0.00 H ATOM 217 N GLU A1879 23.853 28.688 1.006 1.00 21.66 N ATOM 218 CA GLU A1879 23.953 28.449 2.453 1.00 23.40 C ATOM 219 C GLU A1879 24.101 26.926 2.772 1.00 22.90 C ATOM 220 O GLU A1879 24.881 26.530 3.664 1.00 23.27 O ATOM 221 CB GLU A1879 22.773 29.069 3.197 1.00 25.20 C ATOM 222 CG GLU A1879 22.863 30.591 3.174 1.00 29.32 C ATOM 223 CD GLU A1879 21.615 31.321 3.582 1.00 34.11 C ATOM 224 OE1 GLU A1879 20.517 30.748 3.536 1.00 37.71 O ATOM 225 OE2 GLU A1879 21.741 32.515 3.859 1.00 44.66 O ATOM 226 H GLU A1879 22.997 29.130 0.614 1.00 0.00 H ATOM 227 N MET A1880 23.381 26.123 2.025 1.00 22.21 N ATOM 228 CA MET A1880 23.430 24.663 2.120 1.00 22.21 C ATOM 229 C MET A1880 24.820 24.174 1.746 1.00 22.36 C ATOM 230 O MET A1880 25.412 23.390 2.427 1.00 21.08 O ATOM 231 CB MET A1880 22.424 24.028 1.150 1.00 21.56 C ATOM 232 CG MET A1880 20.954 24.402 1.378 1.00 21.98 C ATOM 233 SD MET A1880 20.399 23.914 3.008 1.00 23.01 S ATOM 234 CE MET A1880 20.058 22.222 2.585 1.00 22.31 C ATOM 235 H MET A1880 22.739 26.548 1.326 1.00 0.00 H ATOM 236 N GLU A1881 25.283 24.635 0.598 1.00 21.94 N ATOM 237 CA GLU A1881 26.596 24.207 0.069 1.00 22.71 C ATOM 238 C GLU A1881 27.757 24.497 0.998 1.00 24.33 C ATOM 239 O GLU A1881 28.731 23.778 0.989 1.00 22.56 O ATOM 240 CB GLU A1881 26.838 24.884 -1.298 1.00 23.31 C ATOM 241 CG GLU A1881 26.001 24.340 -2.451 1.00 23.07 C ATOM 242 CD GLU A1881 25.983 25.240 -3.678 1.00 26.16 C ATOM 243 OE1 GLU A1881 26.355 26.415 -3.575 1.00 28.21 O ATOM 244 OE2 GLU A1881 25.556 24.794 -4.776 1.00 27.27 O ATOM 245 H GLU A1881 24.712 25.313 0.055 1.00 0.00 H ATOM 246 N THR A1882 27.667 25.545 1.810 1.00 24.05 N ATOM 247 CA THR A1882 28.754 25.960 2.625 1.00 26.61 C ATOM 248 C THR A1882 28.607 25.520 4.095 1.00 24.89 C ATOM 249 O THR A1882 29.477 25.788 4.885 1.00 26.18 O ATOM 250 CB THR A1882 28.958 27.478 2.570 1.00 30.21 C ATOM 251 OG1 THR A1882 27.744 28.154 2.929 1.00 30.44 O ATOM 252 CG2 THR A1882 29.362 27.906 1.189 1.00 31.50 C ATOM 253 HG1 THR A1882 27.026 27.900 2.296 1.00 0.00 H ATOM 254 H THR A1882 26.774 26.077 1.850 1.00 0.00 H ATOM 255 N HIS A1883 27.535 24.822 4.422 1.00 22.19 N ATOM 256 CA HIS A1883 27.345 24.268 5.747 1.00 22.92 C ATOM 257 C HIS A1883 28.401 23.180 6.011 1.00 22.84 C ATOM 258 O HIS A1883 28.682 22.381 5.132 1.00 22.40 O ATOM 259 CB HIS A1883 25.981 23.625 5.830 1.00 21.49 C ATOM 260 CG HIS A1883 25.499 23.342 7.223 1.00 24.36 C ATOM 261 ND1 HIS A1883 26.086 22.400 8.039 1.00 26.12 N ATOM 262 CD2 HIS A1883 24.424 23.808 7.908 1.00 25.44 C ATOM 263 CE1 HIS A1883 25.432 22.317 9.181 1.00 27.30 C ATOM 264 NE2 HIS A1883 24.407 23.161 9.126 1.00 27.52 N ATOM 265 H HIS A1883 26.801 24.664 3.703 1.00 0.00 H ATOM 266 N GLU A1884 28.943 23.163 7.215 1.00 25.38 N ATOM 267 CA GLU A1884 29.983 22.196 7.624 1.00 27.40 C ATOM 268 C GLU A1884 29.530 20.726 7.419 1.00 25.55 C ATOM 269 O GLU A1884 30.346 19.842 7.136 1.00 26.07 O ATOM 270 CB GLU A1884 30.352 22.450 9.102 1.00 31.99 C ATOM 271 CG GLU A1884 30.717 21.243 9.867 1.00 37.55 C ATOM 272 CD GLU A1884 31.270 21.540 11.234 1.00 39.64 C ATOM 273 OE1 GLU A1884 30.798 22.450 11.921 1.00 43.78 O ATOM 274 OE2 GLU A1884 32.185 20.850 11.606 1.00 45.16 O ATOM 275 H GLU A1884 28.622 23.866 7.911 1.00 0.00 H ATOM 276 N ASP A1885 28.245 20.470 7.545 1.00 23.25 N ATOM 277 CA ASP A1885 27.720 19.105 7.398 1.00 22.45 C ATOM 278 C ASP A1885 27.253 18.762 5.991 1.00 19.95 C ATOM 279 O ASP A1885 26.571 17.771 5.802 1.00 21.69 O ATOM 280 CB ASP A1885 26.593 18.840 8.373 1.00 22.80 C ATOM 281 CG ASP A1885 27.022 18.883 9.810 1.00 25.07 C ATOM 282 OD1 ASP A1885 28.250 18.763 10.170 1.00 26.27 O ATOM 283 OD2 ASP A1885 26.093 19.049 10.641 1.00 27.45 O ATOM 284 H ASP A1885 27.588 21.249 7.753 1.00 0.00 H ATOM 285 N ALA A1886 27.530 19.624 5.017 1.00 19.29 N ATOM 286 CA ALA A1886 27.111 19.402 3.645 1.00 19.10 C ATOM 287 C ALA A1886 27.926 18.339 2.886 1.00 18.65 C ATOM 288 O ALA A1886 27.545 17.955 1.748 1.00 17.31 O ATOM 289 CB ALA A1886 27.179 20.690 2.868 1.00 19.14 C ATOM 290 H ALA A1886 28.065 20.486 5.246 1.00 0.00 H ATOM 291 N TRP A1887 29.031 17.923 3.469 1.00 20.50 N ATOM 292 CA TRP A1887 30.025 17.090 2.789 1.00 21.16 C ATOM 293 C TRP A1887 29.469 15.815 2.148 1.00 20.02 C ATOM 294 O TRP A1887 29.983 15.439 1.099 1.00 20.96 O ATOM 295 CB TRP A1887 31.249 16.784 3.676 1.00 22.36 C ATOM 296 CG TRP A1887 30.920 16.126 4.977 1.00 22.24 C ATOM 297 CD1 TRP A1887 30.646 16.760 6.156 1.00 23.16 C ATOM 298 CD2 TRP A1887 30.757 14.737 5.218 1.00 23.32 C ATOM 299 NE1 TRP A1887 30.369 15.852 7.128 1.00 24.08 N ATOM 300 CE2 TRP A1887 30.394 14.591 6.575 1.00 24.36 C ATOM 301 CE3 TRP A1887 30.883 13.580 4.421 1.00 24.21 C ATOM 302 CZ2 TRP A1887 30.184 13.342 7.167 1.00 25.50 C ATOM 303 CZ3 TRP A1887 30.647 12.332 5.011 1.00 24.57 C ATOM 304 CH2 TRP A1887 30.312 12.225 6.374 1.00 26.19 C ATOM 305 HE1 TRP A1887 30.171 16.073 8.125 1.00 0.00 H ATOM 306 H TRP A1887 29.206 18.198 4.457 1.00 0.00 H ATOM 307 N PRO A1888 28.422 15.167 2.721 1.00 19.88 N ATOM 308 CA PRO A1888 27.915 13.964 2.016 1.00 19.65 C ATOM 309 C PRO A1888 27.104 14.275 0.733 1.00 19.03 C ATOM 310 O PRO A1888 26.831 13.364 -0.043 1.00 17.90 O ATOM 311 CB PRO A1888 26.985 13.313 3.041 1.00 19.55 C ATOM 312 CG PRO A1888 27.348 13.931 4.387 1.00 19.91 C ATOM 313 CD PRO A1888 27.749 15.337 4.056 1.00 20.11 C ATOM 314 N PHE A1889 26.762 15.557 0.523 1.00 17.54 N ATOM 315 CA PHE A1889 25.720 15.967 -0.409 1.00 17.47 C ATOM 316 C PHE A1889 26.201 16.845 -1.531 1.00 18.24 C ATOM 317 O PHE A1889 25.397 17.278 -2.346 1.00 18.49 O ATOM 318 CB PHE A1889 24.562 16.665 0.348 1.00 18.31 C ATOM 319 CG PHE A1889 24.096 15.899 1.577 1.00 18.66 C ATOM 320 CD1 PHE A1889 23.534 14.600 1.461 1.00 17.46 C ATOM 321 CD2 PHE A1889 24.299 16.409 2.837 1.00 18.34 C ATOM 322 CE1 PHE A1889 23.184 13.874 2.584 1.00 18.41 C ATOM 323 CE2 PHE A1889 23.945 15.682 3.972 1.00 19.40 C ATOM 324 CZ PHE A1889 23.387 14.410 3.854 1.00 18.26 C ATOM 325 H PHE A1889 27.267 16.295 1.053 1.00 0.00 H ATOM 326 N LEU A1890 27.500 17.075 -1.598 1.00 19.52 N ATOM 327 CA LEU A1890 28.058 18.042 -2.551 1.00 21.57 C ATOM 328 C LEU A1890 28.093 17.489 -3.953 1.00 21.98 C ATOM 329 O LEU A1890 27.978 18.238 -4.908 1.00 24.21 O ATOM 330 CB LEU A1890 29.451 18.501 -2.141 1.00 22.55 C ATOM 331 CG LEU A1890 29.525 19.282 -0.814 1.00 23.03 C ATOM 332 CD1 LEU A1890 30.958 19.699 -0.494 1.00 26.80 C ATOM 333 CD2 LEU A1890 28.566 20.424 -0.835 1.00 23.61 C ATOM 334 H LEU A1890 28.141 16.560 -0.962 1.00 0.00 H ATOM 335 N LEU A1891 28.294 16.184 -4.079 1.00 21.52 N ATOM 336 CA LEU A1891 28.378 15.512 -5.375 1.00 22.80 C ATOM 337 C LEU A1891 27.434 14.318 -5.399 1.00 21.57 C ATOM 338 O LEU A1891 27.055 13.808 -4.371 1.00 21.39 O ATOM 339 CB LEU A1891 29.824 14.982 -5.562 1.00 25.39 C ATOM 340 CG LEU A1891 30.953 16.014 -5.567 1.00 29.80 C ATOM 341 CD1 LEU A1891 32.342 15.366 -5.639 1.00 33.35 C ATOM 342 CD2 LEU A1891 30.746 16.947 -6.757 1.00 32.23 C ATOM 343 H LEU A1891 28.397 15.612 -3.216 1.00 0.00 H ATOM 344 N PRO A1892 27.060 13.846 -6.596 1.00 23.32 N ATOM 345 CA PRO A1892 26.329 12.587 -6.670 1.00 23.26 C ATOM 346 C PRO A1892 27.014 11.441 -5.899 1.00 24.40 C ATOM 347 O PRO A1892 28.234 11.306 -5.916 1.00 24.90 O ATOM 348 CB PRO A1892 26.334 12.238 -8.171 1.00 25.76 C ATOM 349 CG PRO A1892 26.828 13.443 -8.870 1.00 27.50 C ATOM 350 CD PRO A1892 27.447 14.391 -7.912 1.00 26.06 C ATOM 351 N VAL A1893 26.211 10.617 -5.269 1.00 25.73 N ATOM 352 CA VAL A1893 26.714 9.407 -4.615 1.00 29.00 C ATOM 353 C VAL A1893 27.394 8.598 -5.683 1.00 29.54 C ATOM 354 O VAL A1893 26.892 8.435 -6.802 1.00 29.76 O ATOM 355 CB VAL A1893 25.574 8.628 -3.919 1.00 28.99 C ATOM 356 CG1 VAL A1893 26.053 7.270 -3.374 1.00 31.86 C ATOM 357 CG2 VAL A1893 24.957 9.456 -2.837 1.00 28.69 C ATOM 358 H VAL A1893 25.193 10.828 -5.233 1.00 0.00 H ATOM 359 N ASN A1894 28.605 8.169 -5.382 1.00 32.75 N ATOM 360 CA ASN A1894 29.439 7.514 -6.331 1.00 34.72 C ATOM 361 C ASN A1894 28.980 6.083 -6.619 1.00 35.21 C ATOM 362 O ASN A1894 29.175 5.161 -5.780 1.00 33.56 O ATOM 363 CB ASN A1894 30.874 7.503 -5.812 1.00 38.05 C ATOM 364 CG ASN A1894 31.862 7.141 -6.882 1.00 43.09 C ATOM 365 OD1 ASN A1894 31.674 6.181 -7.657 1.00 44.65 O ATOM 366 ND2 ASN A1894 32.938 7.906 -6.945 1.00 48.90 N ATOM 367 HD22 ASN A1894 33.054 8.696 -6.279 1.00 0.00 H ATOM 368 HD21 ASN A1894 33.669 7.718 -7.661 1.00 0.00 H ATOM 369 H ASN A1894 28.963 8.315 -4.416 1.00 0.00 H ATOM 370 N LEU A1895 28.392 5.901 -7.796 1.00 34.82 N ATOM 371 CA LEU A1895 27.662 4.671 -8.060 1.00 39.69 C ATOM 372 C LEU A1895 28.579 3.497 -8.315 1.00 45.77 C ATOM 373 O LEU A1895 28.135 2.329 -8.343 1.00 48.08 O ATOM 374 CB LEU A1895 26.714 4.845 -9.236 1.00 41.30 C ATOM 375 CG LEU A1895 25.607 5.880 -9.105 1.00 39.28 C ATOM 376 CD1 LEU A1895 24.708 5.788 -10.322 1.00 42.17 C ATOM 377 CD2 LEU A1895 24.825 5.717 -7.812 1.00 37.80 C ATOM 378 H LEU A1895 28.454 6.637 -8.528 1.00 0.00 H ATOM 379 N LYS A1896 29.864 3.766 -8.498 1.00 47.81 N ATOM 380 CA LYS A1896 30.791 2.669 -8.677 1.00 51.25 C ATOM 381 C LYS A1896 31.381 2.227 -7.381 1.00 48.83 C ATOM 382 O LYS A1896 31.751 1.077 -7.236 1.00 48.79 O ATOM 383 CB LYS A1896 31.853 3.036 -9.708 1.00 57.58 C ATOM 384 CG LYS A1896 31.227 3.131 -11.089 1.00 61.99 C ATOM 385 CD LYS A1896 32.240 3.366 -12.194 1.00 69.16 C ATOM 386 CE LYS A1896 31.572 3.269 -13.555 1.00 73.25 C ATOM 387 NZ LYS A1896 32.318 4.036 -14.590 1.00 78.34 N ATOM 388 HZ1 LYS A1896 32.358 5.038 -14.315 1.00 0.00 H ATOM 389 HZ2 LYS A1896 33.284 3.658 -14.671 1.00 0.00 H ATOM 390 HZ3 LYS A1896 31.831 3.946 -15.505 1.00 0.00 H ATOM 391 H LYS A1896 30.201 4.750 -8.513 1.00 0.00 H ATOM 392 N LEU A1897 31.404 3.115 -6.404 1.00 44.61 N ATOM 393 CA LEU A1897 32.046 2.816 -5.161 1.00 44.83 C ATOM 394 C LEU A1897 31.071 2.512 -4.046 1.00 44.05 C ATOM 395 O LEU A1897 31.495 2.031 -2.990 1.00 45.07 O ATOM 396 CB LEU A1897 32.943 3.989 -4.746 1.00 48.78 C ATOM 397 CG LEU A1897 34.193 4.169 -5.638 1.00 53.59 C ATOM 398 CD1 LEU A1897 34.871 5.507 -5.374 1.00 55.81 C ATOM 399 CD2 LEU A1897 35.174 3.026 -5.422 1.00 55.90 C ATOM 400 H LEU A1897 30.951 4.041 -6.540 1.00 0.00 H ATOM 401 N VAL A1898 29.776 2.790 -4.230 1.00 38.07 N ATOM 402 CA VAL A1898 28.867 2.637 -3.116 1.00 39.44 C ATOM 403 C VAL A1898 27.938 1.494 -3.428 1.00 39.41 C ATOM 404 O VAL A1898 27.009 1.674 -4.217 1.00 40.61 O ATOM 405 CB VAL A1898 28.071 3.901 -2.796 1.00 37.66 C ATOM 406 CG1 VAL A1898 27.202 3.652 -1.581 1.00 38.37 C ATOM 407 CG2 VAL A1898 29.031 5.060 -2.496 1.00 38.36 C ATOM 408 H VAL A1898 29.429 3.110 -5.157 1.00 0.00 H ATOM 409 N PRO A1899 28.245 0.293 -2.872 1.00 41.75 N ATOM 410 CA PRO A1899 27.392 -0.901 -3.169 1.00 42.22 C ATOM 411 C PRO A1899 25.919 -0.647 -2.766 1.00 38.49 C ATOM 412 O PRO A1899 25.669 0.002 -1.738 1.00 38.53 O ATOM 413 CB PRO A1899 28.048 -2.063 -2.346 1.00 45.80 C ATOM 414 CG PRO A1899 29.292 -1.496 -1.701 1.00 45.34 C ATOM 415 CD PRO A1899 29.374 -0.006 -1.950 1.00 42.75 C ATOM 416 N GLY A1900 24.963 -1.050 -3.585 1.00 38.52 N ATOM 417 CA GLY A1900 23.517 -0.914 -3.227 1.00 39.15 C ATOM 418 C GLY A1900 22.876 0.318 -3.871 1.00 38.86 C ATOM 419 O GLY A1900 21.692 0.283 -4.297 1.00 40.03 O ATOM 420 H GLY A1900 25.222 -1.472 -4.500 1.00 0.00 H ATOM 421 N TYR A1901 23.662 1.393 -4.036 1.00 37.10 N ATOM 422 CA TYR A1901 23.033 2.717 -4.190 1.00 32.92 C ATOM 423 C TYR A1901 22.115 2.785 -5.380 1.00 34.47 C ATOM 424 O TYR A1901 20.926 3.139 -5.282 1.00 31.17 O ATOM 425 CB TYR A1901 24.050 3.874 -4.243 1.00 31.50 C ATOM 426 CG TYR A1901 23.368 5.121 -3.776 1.00 28.26 C ATOM 427 CD1 TYR A1901 22.803 6.007 -4.676 1.00 27.58 C ATOM 428 CD2 TYR A1901 23.149 5.341 -2.414 1.00 28.18 C ATOM 429 CE1 TYR A1901 22.166 7.180 -4.242 1.00 27.69 C ATOM 430 CE2 TYR A1901 22.439 6.473 -1.968 1.00 26.77 C ATOM 431 CZ TYR A1901 21.981 7.396 -2.879 1.00 25.69 C ATOM 432 OH TYR A1901 21.269 8.495 -2.442 1.00 25.77 O ATOM 433 HH TYR A1901 21.017 9.054 -3.219 1.00 0.00 H ATOM 434 H TYR A1901 24.697 1.294 -4.055 1.00 0.00 H ATOM 435 N LYS A1902 22.671 2.381 -6.506 1.00 39.84 N ATOM 436 CA LYS A1902 21.964 2.442 -7.764 1.00 40.80 C ATOM 437 C LYS A1902 20.578 1.723 -7.721 1.00 39.93 C ATOM 438 O LYS A1902 19.570 2.224 -8.229 1.00 38.84 O ATOM 439 CB LYS A1902 22.854 1.794 -8.886 1.00 44.96 C ATOM 440 CG LYS A1902 22.477 2.284 -10.303 1.00 49.03 C ATOM 441 CD LYS A1902 23.524 1.973 -11.368 1.00 52.58 C ATOM 442 CE LYS A1902 23.042 2.402 -12.756 1.00 57.70 C ATOM 443 NZ LYS A1902 21.742 1.781 -13.151 1.00 60.93 N ATOM 444 HZ1 LYS A1902 21.842 0.746 -13.161 1.00 0.00 H ATOM 445 HZ2 LYS A1902 21.007 2.053 -12.467 1.00 0.00 H ATOM 446 HZ3 LYS A1902 21.474 2.114 -14.099 1.00 0.00 H ATOM 447 H LYS A1902 23.642 2.009 -6.487 1.00 0.00 H ATOM 448 N LYS A1903 20.565 0.507 -7.159 1.00 38.07 N ATOM 449 CA LYS A1903 19.375 -0.296 -7.136 1.00 37.41 C ATOM 450 C LYS A1903 18.362 0.214 -6.100 1.00 35.62 C ATOM 451 O LYS A1903 17.166 0.046 -6.268 1.00 39.11 O ATOM 452 CB LYS A1903 19.765 -1.758 -6.788 1.00 38.95 C ATOM 453 CG LYS A1903 18.592 -2.673 -6.637 1.00 40.32 C ATOM 454 CD LYS A1903 17.799 -2.722 -7.919 1.00 41.53 C ATOM 455 CE LYS A1903 16.638 -3.679 -7.827 1.00 44.22 C ATOM 456 NZ LYS A1903 17.048 -4.965 -8.264 1.00 46.88 N ATOM 457 HZ1 LYS A1903 17.373 -4.907 -9.250 1.00 0.00 H ATOM 458 HZ2 LYS A1903 17.825 -5.303 -7.661 1.00 0.00 H ATOM 459 HZ3 LYS A1903 16.246 -5.624 -8.200 1.00 0.00 H ATOM 460 H LYS A1903 21.437 0.136 -6.730 1.00 0.00 H ATOM 461 N VAL A1904 18.855 0.675 -4.965 1.00 32.29 N ATOM 462 CA VAL A1904 18.001 1.026 -3.872 1.00 31.39 C ATOM 463 C VAL A1904 17.374 2.426 -4.058 1.00 30.51 C ATOM 464 O VAL A1904 16.203 2.608 -3.766 1.00 31.36 O ATOM 465 CB VAL A1904 18.789 0.970 -2.544 1.00 30.31 C ATOM 466 CG1 VAL A1904 17.992 1.586 -1.381 1.00 29.41 C ATOM 467 CG2 VAL A1904 19.202 -0.455 -2.240 1.00 31.72 C ATOM 468 H VAL A1904 19.884 0.785 -4.864 1.00 0.00 H ATOM 469 N ILE A1905 18.159 3.385 -4.546 1.00 29.18 N ATOM 470 CA ILE A1905 17.736 4.815 -4.601 1.00 28.56 C ATOM 471 C ILE A1905 17.359 5.119 -6.040 1.00 30.44 C ATOM 472 O ILE A1905 18.218 5.258 -6.909 1.00 30.90 O ATOM 473 CB ILE A1905 18.876 5.750 -4.127 1.00 26.70 C ATOM 474 CG1 ILE A1905 19.227 5.459 -2.668 1.00 26.37 C ATOM 475 CG2 ILE A1905 18.467 7.216 -4.277 1.00 25.26 C ATOM 476 CD1 ILE A1905 18.078 5.590 -1.675 1.00 26.34 C ATOM 477 H ILE A1905 19.102 3.128 -4.902 1.00 0.00 H ATOM 478 N LYS A1906 16.070 5.173 -6.295 1.00 30.72 N ATOM 479 CA LYS A1906 15.599 5.265 -7.661 1.00 34.38 C ATOM 480 C LYS A1906 15.836 6.628 -8.308 1.00 30.82 C ATOM 481 O LYS A1906 15.940 6.698 -9.519 1.00 31.40 O ATOM 482 CB LYS A1906 14.131 4.902 -7.721 1.00 38.21 C ATOM 483 CG LYS A1906 13.827 3.491 -7.233 1.00 43.88 C ATOM 484 CD LYS A1906 14.831 2.457 -7.731 1.00 47.67 C ATOM 485 CE LYS A1906 14.417 1.060 -7.339 1.00 52.10 C ATOM 486 NZ LYS A1906 15.080 0.058 -8.223 1.00 56.38 N ATOM 487 HZ1 LYS A1906 14.803 0.231 -9.210 1.00 0.00 H ATOM 488 HZ2 LYS A1906 16.112 0.146 -8.131 1.00 0.00 H ATOM 489 HZ3 LYS A1906 14.786 -0.899 -7.942 1.00 0.00 H ATOM 490 H LYS A1906 15.386 5.150 -5.512 1.00 0.00 H ATOM 491 N LYS A1907 15.860 7.683 -7.497 1.00 27.08 N ATOM 492 CA LYS A1907 16.033 9.066 -7.981 1.00 26.61 C ATOM 493 C LYS A1907 17.123 9.748 -7.154 1.00 23.40 C ATOM 494 O LYS A1907 16.847 10.480 -6.194 1.00 21.69 O ATOM 495 CB LYS A1907 14.733 9.859 -7.906 1.00 28.33 C ATOM 496 CG LYS A1907 13.610 9.343 -8.780 1.00 34.65 C ATOM 497 CD LYS A1907 13.470 10.101 -10.099 1.00 40.82 C ATOM 498 H LYS A1907 15.752 7.525 -6.475 1.00 0.00 H ATOM 499 N PRO A1908 18.391 9.459 -7.479 1.00 23.22 N ATOM 500 CA PRO A1908 19.467 10.129 -6.780 1.00 22.20 C ATOM 501 C PRO A1908 19.410 11.636 -6.966 1.00 21.34 C ATOM 502 O PRO A1908 19.013 12.113 -8.057 1.00 21.93 O ATOM 503 CB PRO A1908 20.737 9.597 -7.474 1.00 23.13 C ATOM 504 CG PRO A1908 20.322 8.308 -8.065 1.00 26.07 C ATOM 505 CD PRO A1908 18.897 8.533 -8.511 1.00 25.79 C ATOM 506 N MET A1909 19.855 12.371 -5.957 1.00 19.41 N ATOM 507 CA MET A1909 19.926 13.848 -6.071 1.00 19.60 C ATOM 508 C MET A1909 21.013 14.320 -5.115 1.00 18.23 C ATOM 509 O MET A1909 21.287 13.695 -4.089 1.00 17.33 O ATOM 510 CB MET A1909 18.541 14.479 -5.801 1.00 19.31 C ATOM 511 CG MET A1909 18.445 15.978 -6.072 1.00 19.78 C ATOM 512 SD MET A1909 19.008 16.474 -7.685 1.00 20.52 S ATOM 513 CE MET A1909 18.017 15.415 -8.721 1.00 22.19 C ATOM 514 H MET A1909 20.157 11.907 -5.077 1.00 0.00 H ATOM 515 N ASP A1910 21.609 15.465 -5.441 1.00 17.40 N ATOM 516 CA ASP A1910 22.661 16.052 -4.660 1.00 17.58 C ATOM 517 C ASP A1910 22.722 17.539 -4.943 1.00 17.87 C ATOM 518 O ASP A1910 22.126 17.995 -5.930 1.00 18.84 O ATOM 519 CB ASP A1910 24.002 15.403 -5.007 1.00 18.72 C ATOM 520 CG ASP A1910 24.513 15.801 -6.367 1.00 20.94 C ATOM 521 OD1 ASP A1910 25.429 16.659 -6.443 1.00 23.56 O ATOM 522 OD2 ASP A1910 24.005 15.261 -7.366 1.00 23.67 O ATOM 523 H ASP A1910 21.298 15.958 -6.302 1.00 0.00 H ATOM 524 N PHE A1911 23.521 18.276 -4.157 1.00 18.47 N ATOM 525 CA PHE A1911 23.519 19.738 -4.261 1.00 17.34 C ATOM 526 C PHE A1911 24.109 20.234 -5.574 1.00 19.13 C ATOM 527 O PHE A1911 23.612 21.236 -6.114 1.00 18.63 O ATOM 528 CB PHE A1911 24.286 20.382 -3.133 1.00 18.13 C ATOM 529 CG PHE A1911 23.688 20.188 -1.749 1.00 18.15 C ATOM 530 CD1 PHE A1911 22.378 19.716 -1.553 1.00 19.41 C ATOM 531 CD2 PHE A1911 24.405 20.583 -0.636 1.00 19.77 C ATOM 532 CE1 PHE A1911 21.836 19.603 -0.266 1.00 21.14 C ATOM 533 CE2 PHE A1911 23.873 20.453 0.634 1.00 20.42 C ATOM 534 CZ PHE A1911 22.577 19.951 0.804 1.00 19.89 C ATOM 535 H PHE A1911 24.145 17.807 -3.470 1.00 0.00 H ATOM 536 N SER A1912 25.147 19.565 -6.105 1.00 17.93 N ATOM 537 CA SER A1912 25.727 19.982 -7.413 1.00 19.95 C ATOM 538 C SER A1912 24.713 19.853 -8.570 1.00 20.85 C ATOM 539 O SER A1912 24.679 20.710 -9.487 1.00 20.35 O ATOM 540 CB SER A1912 27.055 19.247 -7.746 1.00 21.95 C ATOM 541 OG SER A1912 26.824 17.865 -8.131 1.00 23.18 O ATOM 542 HG SER A1912 26.381 17.386 -7.387 1.00 0.00 H ATOM 543 H SER A1912 25.549 18.750 -5.599 1.00 0.00 H ATOM 544 N THR A1913 23.902 18.801 -8.517 1.00 19.08 N ATOM 545 CA THR A1913 22.843 18.531 -9.509 1.00 19.97 C ATOM 546 C THR A1913 21.734 19.587 -9.394 1.00 19.05 C ATOM 547 O THR A1913 21.326 20.199 -10.376 1.00 18.12 O ATOM 548 CB THR A1913 22.341 17.084 -9.383 1.00 19.60 C ATOM 549 OG1 THR A1913 23.462 16.206 -9.616 1.00 20.16 O ATOM 550 CG2 THR A1913 21.335 16.778 -10.427 1.00 22.01 C ATOM 551 HG1 THR A1913 23.823 16.367 -10.524 1.00 0.00 H ATOM 552 H THR A1913 24.021 18.130 -7.732 1.00 0.00 H ATOM 553 N ILE A1914 21.371 19.899 -8.187 1.00 18.37 N ATOM 554 CA ILE A1914 20.402 20.974 -7.967 1.00 17.90 C ATOM 555 C ILE A1914 20.954 22.307 -8.448 1.00 19.10 C ATOM 556 O ILE A1914 20.248 23.081 -9.084 1.00 19.37 O ATOM 557 CB ILE A1914 20.008 21.051 -6.457 1.00 16.21 C ATOM 558 CG1 ILE A1914 19.305 19.763 -6.001 1.00 16.16 C ATOM 559 CG2 ILE A1914 19.136 22.273 -6.182 1.00 17.60 C ATOM 560 CD1 ILE A1914 19.089 19.714 -4.544 1.00 15.91 C ATOM 561 H ILE A1914 21.769 19.385 -7.376 1.00 0.00 H ATOM 562 N ARG A1915 22.220 22.593 -8.158 1.00 19.02 N ATOM 563 CA ARG A1915 22.815 23.862 -8.587 1.00 20.03 C ATOM 564 C ARG A1915 22.803 23.959 -10.113 1.00 20.65 C ATOM 565 O ARG A1915 22.464 24.990 -10.686 1.00 21.07 O ATOM 566 CB ARG A1915 24.243 24.000 -8.044 1.00 20.17 C ATOM 567 CG ARG A1915 25.026 25.134 -8.624 1.00 22.74 C ATOM 568 CD ARG A1915 24.472 26.493 -8.254 1.00 24.11 C ATOM 569 NE ARG A1915 24.629 26.766 -6.806 1.00 24.90 N ATOM 570 CZ ARG A1915 24.120 27.848 -6.208 1.00 27.27 C ATOM 571 NH1 ARG A1915 23.388 28.725 -6.901 1.00 26.94 N ATOM 572 NH2 ARG A1915 24.301 28.038 -4.900 1.00 28.63 N ATOM 573 HE ARG A1915 25.160 26.084 -6.228 1.00 0.00 H ATOM 574 HH12 ARG A1915 22.996 29.564 -6.428 1.00 0.00 H ATOM 575 HH11 ARG A1915 23.210 28.569 -7.914 1.00 0.00 H ATOM 576 HH22 ARG A1915 23.904 28.880 -4.437 1.00 0.00 H ATOM 577 HH21 ARG A1915 24.839 27.344 -4.343 1.00 0.00 H ATOM 578 H ARG A1915 22.793 21.910 -7.622 1.00 0.00 H ATOM 579 N GLU A1916 23.163 22.885 -10.786 1.00 20.09 N ATOM 580 CA GLU A1916 23.131 22.868 -12.244 1.00 21.62 C ATOM 581 C GLU A1916 21.721 23.071 -12.796 1.00 21.34 C ATOM 582 O GLU A1916 21.550 23.826 -13.771 1.00 22.38 O ATOM 583 CB GLU A1916 23.673 21.548 -12.788 1.00 23.53 C ATOM 584 CG GLU A1916 23.807 21.507 -14.295 1.00 27.64 C ATOM 585 CD GLU A1916 24.774 22.538 -14.901 1.00 31.02 C ATOM 586 OE1 GLU A1916 25.861 22.784 -14.325 1.00 35.57 O ATOM 587 OE2 GLU A1916 24.480 23.078 -16.015 1.00 34.86 O ATOM 588 H GLU A1916 23.474 22.037 -10.270 1.00 0.00 H ATOM 589 N LYS A1917 20.743 22.407 -12.190 1.00 20.28 N ATOM 590 CA LYS A1917 19.349 22.550 -12.595 1.00 21.40 C ATOM 591 C LYS A1917 18.844 23.980 -12.394 1.00 21.43 C ATOM 592 O LYS A1917 18.207 24.556 -13.291 1.00 21.86 O ATOM 593 CB LYS A1917 18.473 21.545 -11.886 1.00 21.34 C ATOM 594 CG LYS A1917 18.682 20.128 -12.379 1.00 22.16 C ATOM 595 CD LYS A1917 17.893 19.099 -11.612 1.00 21.74 C ATOM 596 CE LYS A1917 16.403 19.278 -11.872 1.00 23.47 C ATOM 597 NZ LYS A1917 15.646 18.101 -11.396 1.00 23.97 N ATOM 598 HZ1 LYS A1917 15.976 17.252 -11.898 1.00 0.00 H ATOM 599 HZ2 LYS A1917 15.798 17.983 -10.374 1.00 0.00 H ATOM 600 HZ3 LYS A1917 14.633 18.243 -11.583 1.00 0.00 H ATOM 601 H LYS A1917 20.978 21.767 -11.405 1.00 0.00 H ATOM 602 N LEU A1918 19.223 24.575 -11.278 1.00 21.05 N ATOM 603 CA LEU A1918 18.873 25.949 -10.966 1.00 21.76 C ATOM 604 C LEU A1918 19.524 26.959 -11.896 1.00 23.84 C ATOM 605 O LEU A1918 18.883 27.888 -12.309 1.00 26.46 O ATOM 606 CB LEU A1918 19.196 26.242 -9.515 1.00 22.46 C ATOM 607 CG LEU A1918 18.634 27.520 -8.899 1.00 23.37 C ATOM 608 CD1 LEU A1918 17.132 27.520 -8.797 1.00 22.88 C ATOM 609 CD2 LEU A1918 19.238 27.761 -7.516 1.00 23.96 C ATOM 610 H LEU A1918 19.795 24.038 -10.595 1.00 0.00 H ATOM 611 N SER A1919 20.767 26.765 -12.259 1.00 23.47 N ATOM 612 CA SER A1919 21.492 27.634 -13.152 1.00 25.17 C ATOM 613 C SER A1919 21.038 27.548 -14.639 1.00 25.91 C ATOM 614 O SER A1919 21.358 28.410 -15.438 1.00 26.53 O ATOM 615 CB SER A1919 22.991 27.310 -13.049 1.00 25.55 C ATOM 616 OG SER A1919 23.519 27.712 -11.803 1.00 23.97 O ATOM 617 HG SER A1919 24.483 27.490 -11.768 1.00 0.00 H ATOM 618 H SER A1919 21.262 25.933 -11.880 1.00 0.00 H ATOM 619 N SER A1920 20.303 26.491 -14.985 1.00 23.63 N ATOM 620 CA SER A1920 19.946 26.204 -16.378 1.00 24.81 C ATOM 621 C SER A1920 18.432 26.180 -16.625 1.00 24.42 C ATOM 622 O SER A1920 17.953 25.656 -17.639 1.00 24.86 O ATOM 623 CB SER A1920 20.596 24.864 -16.803 1.00 24.86 C ATOM 624 OG SER A1920 20.119 23.814 -15.956 1.00 22.44 O ATOM 625 HG SER A1920 20.359 24.015 -15.017 1.00 0.00 H ATOM 626 H SER A1920 19.971 25.846 -14.240 1.00 0.00 H ATOM 627 N GLY A1921 17.655 26.778 -15.717 1.00 23.72 N ATOM 628 CA GLY A1921 16.229 26.910 -15.953 1.00 24.25 C ATOM 629 C GLY A1921 15.427 25.641 -15.901 1.00 23.95 C ATOM 630 O GLY A1921 14.369 25.558 -16.526 1.00 24.47 O ATOM 631 H GLY A1921 18.073 27.149 -14.840 1.00 0.00 H ATOM 632 N GLN A1922 15.899 24.661 -15.129 1.00 23.09 N ATOM 633 CA GLN A1922 15.230 23.373 -15.082 1.00 24.27 C ATOM 634 C GLN A1922 14.255 23.224 -13.919 1.00 23.97 C ATOM 635 O GLN A1922 13.577 22.196 -13.835 1.00 24.69 O ATOM 636 CB GLN A1922 16.281 22.240 -15.074 1.00 25.12 C ATOM 637 CG GLN A1922 17.014 22.121 -16.373 1.00 28.76 C ATOM 638 CD GLN A1922 17.925 20.902 -16.402 1.00 31.23 C ATOM 639 OE1 GLN A1922 17.460 19.778 -16.318 1.00 32.07 O ATOM 640 NE2 GLN A1922 19.218 21.139 -16.447 1.00 29.87 N ATOM 641 HE22 GLN A1922 19.565 22.117 -16.519 1.00 0.00 H ATOM 642 HE21 GLN A1922 19.893 20.349 -16.411 1.00 0.00 H ATOM 643 H GLN A1922 16.752 24.821 -14.556 1.00 0.00 H ATOM 644 N TYR A1923 14.117 24.254 -13.072 1.00 23.37 N ATOM 645 CA TYR A1923 12.990 24.288 -12.096 1.00 23.31 C ATOM 646 C TYR A1923 11.918 25.262 -12.541 1.00 23.91 C ATOM 647 O TYR A1923 12.195 26.465 -12.618 1.00 23.64 O ATOM 648 CB TYR A1923 13.456 24.664 -10.672 1.00 21.65 C ATOM 649 CG TYR A1923 14.443 23.655 -10.065 1.00 20.50 C ATOM 650 CD1 TYR A1923 14.022 22.374 -9.739 1.00 21.76 C ATOM 651 CD2 TYR A1923 15.789 23.966 -9.861 1.00 19.92 C ATOM 652 CE1 TYR A1923 14.882 21.425 -9.223 1.00 20.69 C ATOM 653 CE2 TYR A1923 16.665 23.029 -9.324 1.00 19.47 C ATOM 654 CZ TYR A1923 16.210 21.739 -9.029 1.00 19.15 C ATOM 655 OH TYR A1923 17.048 20.764 -8.496 1.00 20.42 O ATOM 656 HH TYR A1923 16.536 19.928 -8.362 1.00 0.00 H ATOM 657 H TYR A1923 14.802 25.036 -13.096 1.00 0.00 H ATOM 658 N PRO A1924 10.715 24.750 -12.839 1.00 24.93 N ATOM 659 CA PRO A1924 9.584 25.582 -13.234 1.00 28.13 C ATOM 660 C PRO A1924 9.159 26.528 -12.144 1.00 26.56 C ATOM 661 O PRO A1924 8.718 27.651 -12.435 1.00 27.59 O ATOM 662 CB PRO A1924 8.473 24.561 -13.550 1.00 31.33 C ATOM 663 CG PRO A1924 9.194 23.273 -13.786 1.00 31.65 C ATOM 664 CD PRO A1924 10.377 23.313 -12.909 1.00 27.95 C ATOM 665 N ASN A1925 9.342 26.121 -10.895 1.00 24.42 N ATOM 666 CA ASN A1925 8.907 26.978 -9.776 1.00 25.35 C ATOM 667 C ASN A1925 9.603 26.611 -8.495 1.00 24.44 C ATOM 668 O ASN A1925 10.347 25.609 -8.438 1.00 22.06 O ATOM 669 CB ASN A1925 7.405 26.872 -9.599 1.00 26.37 C ATOM 670 CG ASN A1925 6.973 25.469 -9.337 1.00 28.45 C ATOM 671 OD1 ASN A1925 7.445 24.852 -8.393 1.00 27.54 O ATOM 672 ND2 ASN A1925 6.063 24.960 -10.145 1.00 30.20 N ATOM 673 HD22 ASN A1925 5.693 25.527 -10.935 1.00 0.00 H ATOM 674 HD21 ASN A1925 5.715 23.992 -9.993 1.00 0.00 H ATOM 675 H ASN A1925 9.790 25.202 -10.705 1.00 0.00 H ATOM 676 N LEU A1926 9.361 27.381 -7.440 1.00 24.91 N ATOM 677 CA LEU A1926 10.151 27.136 -6.217 1.00 25.21 C ATOM 678 C LEU A1926 9.802 25.786 -5.566 1.00 23.93 C ATOM 679 O LEU A1926 10.645 25.182 -4.873 1.00 22.22 O ATOM 680 CB LEU A1926 10.071 28.339 -5.236 1.00 26.22 C ATOM 681 CG LEU A1926 8.817 28.417 -4.412 1.00 27.60 C ATOM 682 CD1 LEU A1926 8.919 29.558 -3.364 1.00 29.22 C ATOM 683 CD2 LEU A1926 7.595 28.645 -5.259 1.00 29.72 C ATOM 684 H LEU A1926 8.640 28.130 -7.474 1.00 0.00 H ATOM 685 N GLU A1927 8.569 25.324 -5.732 1.00 23.73 N ATOM 686 CA GLU A1927 8.209 24.045 -5.171 1.00 25.12 C ATOM 687 C GLU A1927 8.990 22.868 -5.759 1.00 23.69 C ATOM 688 O GLU A1927 9.342 21.954 -5.026 1.00 21.46 O ATOM 689 CB GLU A1927 6.733 23.798 -5.276 1.00 28.99 C ATOM 690 CG GLU A1927 5.933 24.895 -4.560 1.00 34.71 C ATOM 691 CD GLU A1927 6.220 24.997 -3.054 1.00 38.93 C ATOM 692 OE1 GLU A1927 6.841 24.080 -2.452 1.00 41.11 O ATOM 693 OE2 GLU A1927 5.779 25.999 -2.461 1.00 44.49 O ATOM 694 H GLU A1927 7.868 25.880 -6.262 1.00 0.00 H ATOM 695 N THR A1928 9.255 22.907 -7.063 1.00 22.58 N ATOM 696 CA THR A1928 10.054 21.849 -7.699 1.00 22.37 C ATOM 697 C THR A1928 11.478 21.838 -7.152 1.00 21.28 C ATOM 698 O THR A1928 12.107 20.776 -7.040 1.00 20.11 O ATOM 699 CB THR A1928 10.031 21.977 -9.241 1.00 24.58 C ATOM 700 OG1 THR A1928 10.543 23.241 -9.661 1.00 23.93 O ATOM 701 CG2 THR A1928 8.615 21.813 -9.792 1.00 26.37 C ATOM 702 HG1 THR A1928 9.989 23.965 -9.275 1.00 0.00 H ATOM 703 H THR A1928 8.893 23.694 -7.638 1.00 0.00 H ATOM 704 N PHE A1929 11.992 23.029 -6.833 1.00 20.37 N ATOM 705 CA PHE A1929 13.306 23.171 -6.189 1.00 20.71 C ATOM 706 C PHE A1929 13.281 22.493 -4.805 1.00 20.06 C ATOM 707 O PHE A1929 14.106 21.591 -4.507 1.00 19.04 O ATOM 708 CB PHE A1929 13.700 24.648 -6.092 1.00 19.74 C ATOM 709 CG PHE A1929 14.897 24.906 -5.252 1.00 17.96 C ATOM 710 CD1 PHE A1929 16.173 24.742 -5.747 1.00 19.51 C ATOM 711 CD2 PHE A1929 14.757 25.351 -3.925 1.00 18.90 C ATOM 712 CE1 PHE A1929 17.282 25.007 -4.960 1.00 18.72 C ATOM 713 CE2 PHE A1929 15.874 25.610 -3.136 1.00 19.74 C ATOM 714 CZ PHE A1929 17.130 25.438 -3.650 1.00 19.93 C ATOM 715 H PHE A1929 11.443 23.886 -7.048 1.00 0.00 H ATOM 716 N ALA A1930 12.287 22.829 -3.997 1.00 21.63 N ATOM 717 CA ALA A1930 12.236 22.250 -2.680 1.00 21.08 C ATOM 718 C ALA A1930 12.073 20.710 -2.730 1.00 21.39 C ATOM 719 O ALA A1930 12.563 20.012 -1.826 1.00 19.57 O ATOM 720 CB ALA A1930 11.122 22.866 -1.862 1.00 23.68 C ATOM 721 H ALA A1930 11.556 23.500 -4.309 1.00 0.00 H ATOM 722 N LEU A1931 11.294 20.199 -3.694 1.00 21.94 N ATOM 723 CA LEU A1931 11.118 18.763 -3.843 1.00 22.96 C ATOM 724 C LEU A1931 12.493 18.083 -4.050 1.00 21.22 C ATOM 725 O LEU A1931 12.784 17.038 -3.425 1.00 20.88 O ATOM 726 CB LEU A1931 10.167 18.437 -5.003 1.00 25.33 C ATOM 727 CG LEU A1931 8.668 18.653 -4.725 1.00 29.50 C ATOM 728 CD1 LEU A1931 7.826 18.394 -5.987 1.00 32.08 C ATOM 729 CD2 LEU A1931 8.200 17.718 -3.639 1.00 31.75 C ATOM 730 H LEU A1931 10.806 20.843 -4.349 1.00 0.00 H ATOM 731 N ASP A1932 13.362 18.690 -4.854 1.00 18.97 N ATOM 732 CA ASP A1932 14.730 18.114 -5.080 1.00 17.84 C ATOM 733 C ASP A1932 15.597 18.228 -3.855 1.00 18.43 C ATOM 734 O ASP A1932 16.328 17.287 -3.508 1.00 17.23 O ATOM 735 CB ASP A1932 15.438 18.744 -6.252 1.00 19.26 C ATOM 736 CG ASP A1932 15.267 17.954 -7.566 1.00 19.97 C ATOM 737 OD1 ASP A1932 14.641 16.835 -7.616 1.00 23.11 O ATOM 738 OD2 ASP A1932 15.776 18.433 -8.591 1.00 21.09 O ATOM 739 H ASP A1932 13.091 19.573 -5.331 1.00 0.00 H ATOM 740 N VAL A1933 15.503 19.341 -3.128 1.00 15.67 N ATOM 741 CA VAL A1933 16.257 19.432 -1.883 1.00 17.04 C ATOM 742 C VAL A1933 15.833 18.336 -0.900 1.00 18.42 C ATOM 743 O VAL A1933 16.681 17.676 -0.319 1.00 19.18 O ATOM 744 CB VAL A1933 16.150 20.811 -1.240 1.00 16.69 C ATOM 745 CG1 VAL A1933 16.794 20.823 0.114 1.00 17.36 C ATOM 746 CG2 VAL A1933 16.750 21.883 -2.144 1.00 16.76 C ATOM 747 H VAL A1933 14.903 20.130 -3.443 1.00 0.00 H ATOM 748 N ARG A1934 14.508 18.158 -0.705 1.00 18.10 N ATOM 749 CA ARG A1934 13.995 17.168 0.215 1.00 18.71 C ATOM 750 C ARG A1934 14.337 15.748 -0.248 1.00 18.42 C ATOM 751 O ARG A1934 14.642 14.894 0.579 1.00 19.83 O ATOM 752 CB ARG A1934 12.480 17.350 0.370 1.00 20.42 C ATOM 753 CG ARG A1934 12.165 18.631 1.148 1.00 20.80 C ATOM 754 CD ARG A1934 10.701 18.985 1.067 1.00 21.68 C ATOM 755 NE ARG A1934 10.464 20.232 1.796 1.00 23.28 N ATOM 756 CZ ARG A1934 9.604 21.188 1.455 1.00 27.19 C ATOM 757 NH1 ARG A1934 8.762 21.012 0.433 1.00 25.82 N ATOM 758 NH2 ARG A1934 9.531 22.312 2.201 1.00 28.05 N ATOM 759 HE ARG A1934 11.020 20.385 2.662 1.00 0.00 H ATOM 760 HH12 ARG A1934 8.093 21.766 0.174 1.00 0.00 H ATOM 761 HH11 ARG A1934 8.775 20.121 -0.104 1.00 0.00 H ATOM 762 HH22 ARG A1934 8.862 23.065 1.943 1.00 0.00 H ATOM 763 HH21 ARG A1934 10.144 22.424 3.034 1.00 0.00 H ATOM 764 H ARG A1934 13.837 18.751 -1.233 1.00 0.00 H ATOM 765 N LEU A1935 14.386 15.537 -1.547 1.00 17.93 N ATOM 766 CA LEU A1935 14.777 14.270 -2.123 1.00 19.37 C ATOM 767 C LEU A1935 16.209 13.859 -1.678 1.00 19.59 C ATOM 768 O LEU A1935 16.441 12.715 -1.340 1.00 20.76 O ATOM 769 CB LEU A1935 14.647 14.346 -3.653 1.00 20.09 C ATOM 770 CG LEU A1935 15.126 13.130 -4.436 1.00 21.50 C ATOM 771 CD1 LEU A1935 14.420 11.822 -4.016 1.00 23.16 C ATOM 772 CD2 LEU A1935 14.938 13.359 -5.929 1.00 21.20 C ATOM 773 H LEU A1935 14.132 16.317 -2.187 1.00 0.00 H ATOM 774 N VAL A1936 17.133 14.824 -1.622 1.00 18.91 N ATOM 775 CA VAL A1936 18.464 14.571 -1.098 1.00 18.82 C ATOM 776 C VAL A1936 18.362 13.919 0.309 1.00 18.39 C ATOM 777 O VAL A1936 18.992 12.890 0.601 1.00 18.61 O ATOM 778 CB VAL A1936 19.335 15.850 -1.017 1.00 17.47 C ATOM 779 CG1 VAL A1936 20.693 15.538 -0.384 1.00 18.68 C ATOM 780 CG2 VAL A1936 19.547 16.470 -2.400 1.00 18.14 C ATOM 781 H VAL A1936 16.893 15.777 -1.961 1.00 0.00 H ATOM 782 N PHE A1937 17.587 14.542 1.173 1.00 18.37 N ATOM 783 CA PHE A1937 17.500 14.087 2.548 1.00 18.34 C ATOM 784 C PHE A1937 16.660 12.823 2.718 1.00 19.96 C ATOM 785 O PHE A1937 16.961 11.992 3.603 1.00 21.53 O ATOM 786 CB PHE A1937 17.044 15.247 3.465 1.00 19.33 C ATOM 787 CG PHE A1937 17.878 16.497 3.278 1.00 19.76 C ATOM 788 CD1 PHE A1937 19.266 16.404 3.189 1.00 21.04 C ATOM 789 CD2 PHE A1937 17.290 17.730 3.158 1.00 20.52 C ATOM 790 CE1 PHE A1937 20.054 17.523 2.941 1.00 20.67 C ATOM 791 CE2 PHE A1937 18.078 18.860 2.946 1.00 19.92 C ATOM 792 CZ PHE A1937 19.450 18.750 2.800 1.00 19.26 C ATOM 793 H PHE A1937 17.033 15.367 0.867 1.00 0.00 H ATOM 794 N ASP A1938 15.649 12.645 1.888 1.00 19.51 N ATOM 795 CA ASP A1938 14.868 11.434 1.905 1.00 23.58 C ATOM 796 C ASP A1938 15.697 10.231 1.447 1.00 23.06 C ATOM 797 O ASP A1938 15.686 9.191 2.101 1.00 23.16 O ATOM 798 CB ASP A1938 13.584 11.581 1.083 1.00 24.06 C ATOM 799 CG ASP A1938 12.611 12.586 1.660 1.00 24.27 C ATOM 800 OD1 ASP A1938 12.665 12.930 2.880 1.00 23.44 O ATOM 801 OD2 ASP A1938 11.672 12.939 0.898 1.00 25.57 O ATOM 802 H ASP A1938 15.411 13.395 1.207 1.00 0.00 H ATOM 803 N ASN A1939 16.525 10.417 0.414 1.00 23.37 N ATOM 804 CA ASN A1939 17.433 9.367 -0.029 1.00 22.71 C ATOM 805 C ASN A1939 18.457 9.036 1.060 1.00 22.51 C ATOM 806 O ASN A1939 18.736 7.876 1.318 1.00 22.47 O ATOM 807 CB ASN A1939 18.200 9.823 -1.259 1.00 21.31 C ATOM 808 CG ASN A1939 17.347 9.900 -2.511 1.00 21.54 C ATOM 809 OD1 ASN A1939 16.205 9.386 -2.582 1.00 22.56 O ATOM 810 ND2 ASN A1939 17.884 10.587 -3.517 1.00 21.73 N ATOM 811 HD22 ASN A1939 18.834 10.997 -3.418 1.00 0.00 H ATOM 812 HD21 ASN A1939 17.353 10.713 -4.402 1.00 0.00 H ATOM 813 H ASN A1939 16.521 11.330 -0.084 1.00 0.00 H ATOM 814 N CYS A1940 18.968 10.082 1.724 1.00 19.53 N ATOM 815 CA CYS A1940 19.906 9.916 2.803 1.00 20.85 C ATOM 816 C CYS A1940 19.343 9.056 3.904 1.00 21.72 C ATOM 817 O CYS A1940 19.993 8.120 4.346 1.00 22.38 O ATOM 818 CB CYS A1940 20.405 11.287 3.345 1.00 19.97 C ATOM 819 SG CYS A1940 21.695 11.150 4.573 1.00 21.59 S ATOM 820 H CYS A1940 18.678 11.043 1.451 1.00 0.00 H ATOM 821 N GLU A1941 18.077 9.293 4.287 1.00 23.76 N ATOM 822 CA GLU A1941 17.464 8.499 5.355 1.00 25.83 C ATOM 823 C GLU A1941 17.184 7.053 4.919 1.00 25.66 C ATOM 824 O GLU A1941 17.220 6.139 5.740 1.00 26.94 O ATOM 825 CB GLU A1941 16.129 9.110 5.764 1.00 30.77 C ATOM 826 CG GLU A1941 16.260 10.315 6.631 1.00 32.81 C ATOM 827 CD GLU A1941 14.985 10.603 7.461 1.00 34.67 C ATOM 828 OE1 GLU A1941 14.625 11.786 7.492 1.00 35.87 O ATOM 829 OE2 GLU A1941 14.373 9.697 8.082 1.00 41.97 O ATOM 830 H GLU A1941 17.529 10.045 3.822 1.00 0.00 H ATOM 831 N THR A1942 16.841 6.861 3.660 1.00 23.75 N ATOM 832 CA THR A1942 16.577 5.512 3.156 1.00 27.19 C ATOM 833 C THR A1942 17.834 4.630 3.197 1.00 26.46 C ATOM 834 O THR A1942 17.750 3.441 3.504 1.00 27.82 O ATOM 835 CB THR A1942 16.038 5.571 1.734 1.00 28.48 C ATOM 836 OG1 THR A1942 14.777 6.241 1.761 1.00 31.41 O ATOM 837 CG2 THR A1942 15.837 4.158 1.144 1.00 29.24 C ATOM 838 HG1 THR A1942 14.410 6.289 0.843 1.00 0.00 H ATOM 839 H THR A1942 16.757 7.676 3.019 1.00 0.00 H ATOM 840 N PHE A1943 18.978 5.252 2.915 1.00 25.20 N ATOM 841 CA PHE A1943 20.206 4.544 2.704 1.00 25.14 C ATOM 842 C PHE A1943 21.110 4.468 3.912 1.00 25.92 C ATOM 843 O PHE A1943 21.901 3.535 3.994 1.00 27.81 O ATOM 844 CB PHE A1943 20.993 5.099 1.511 1.00 23.20 C ATOM 845 CG PHE A1943 21.919 4.088 0.880 1.00 23.13 C ATOM 846 CD1 PHE A1943 21.432 3.083 0.073 1.00 25.11 C ATOM 847 CD2 PHE A1943 23.283 4.127 1.117 1.00 23.47 C ATOM 848 CE1 PHE A1943 22.274 2.119 -0.492 1.00 25.74 C ATOM 849 CE2 PHE A1943 24.125 3.179 0.546 1.00 24.60 C ATOM 850 CZ PHE A1943 23.617 2.172 -0.238 1.00 25.55 C ATOM 851 H PHE A1943 18.980 6.290 2.845 1.00 0.00 H ATOM 852 N ASN A1944 20.975 5.389 4.865 1.00 24.98 N ATOM 853 CA ASN A1944 21.888 5.505 5.972 1.00 26.34 C ATOM 854 C ASN A1944 21.172 5.404 7.321 1.00 26.59 C ATOM 855 O ASN A1944 20.064 5.924 7.485 1.00 26.29 O ATOM 856 CB ASN A1944 22.607 6.840 5.945 1.00 25.43 C ATOM 857 CG ASN A1944 23.425 7.036 4.691 1.00 24.95 C ATOM 858 OD1 ASN A1944 24.587 6.637 4.631 1.00 25.04 O ATOM 859 ND2 ASN A1944 22.833 7.668 3.691 1.00 23.48 N ATOM 860 HD22 ASN A1944 21.848 7.987 3.788 1.00 0.00 H ATOM 861 HD21 ASN A1944 23.353 7.846 2.808 1.00 0.00 H ATOM 862 H ASN A1944 20.176 6.052 4.807 1.00 0.00 H ATOM 863 N GLU A1945 21.801 4.727 8.248 1.00 29.18 N ATOM 864 CA GLU A1945 21.348 4.707 9.645 1.00 30.95 C ATOM 865 C GLU A1945 21.316 6.143 10.204 1.00 31.02 C ATOM 866 O GLU A1945 22.211 6.939 9.930 1.00 29.54 O ATOM 867 CB GLU A1945 22.278 3.849 10.492 1.00 32.86 C ATOM 868 CG GLU A1945 22.184 2.354 10.205 1.00 34.57 C ATOM 869 CD GLU A1945 20.900 1.720 10.722 1.00 36.24 C ATOM 870 OE1 GLU A1945 20.165 2.351 11.498 1.00 37.65 O ATOM 871 OE2 GLU A1945 20.623 0.575 10.352 1.00 37.68 O ATOM 872 H GLU A1945 22.650 4.185 7.987 1.00 0.00 H ATOM 873 N ASP A1946 20.280 6.450 10.981 1.00 33.29 N ATOM 874 CA ASP A1946 20.157 7.751 11.693 1.00 34.29 C ATOM 875 C ASP A1946 21.389 8.050 12.529 1.00 37.02 C ATOM 876 O ASP A1946 21.840 9.174 12.552 1.00 39.76 O ATOM 877 CB ASP A1946 18.903 7.779 12.603 1.00 35.39 C ATOM 878 CG ASP A1946 17.598 7.724 11.820 1.00 35.61 C ATOM 879 OD1 ASP A1946 17.533 8.107 10.611 1.00 35.02 O ATOM 880 OD2 ASP A1946 16.623 7.241 12.385 1.00 39.10 O ATOM 881 H ASP A1946 19.521 5.748 11.096 1.00 0.00 H ATOM 882 N ASP A1947 21.990 7.021 13.101 1.00 40.92 N ATOM 883 CA ASP A1947 23.130 7.179 14.004 1.00 46.61 C ATOM 884 C ASP A1947 24.502 7.402 13.296 1.00 41.36 C ATOM 885 O ASP A1947 25.481 7.788 13.933 1.00 43.35 O ATOM 886 CB ASP A1947 23.158 5.978 14.965 1.00 54.38 C ATOM 887 CG ASP A1947 24.302 6.035 15.969 1.00 63.96 C ATOM 888 OD1 ASP A1947 24.101 6.535 17.088 1.00 76.38 O ATOM 889 OD2 ASP A1947 25.411 5.554 15.653 1.00 73.98 O ATOM 890 H ASP A1947 21.639 6.063 12.901 1.00 0.00 H ATOM 891 N SER A1948 24.580 7.186 11.999 1.00 34.12 N ATOM 892 CA SER A1948 25.843 7.237 11.330 1.00 31.65 C ATOM 893 C SER A1948 26.167 8.716 11.070 1.00 30.53 C ATOM 894 O SER A1948 25.276 9.594 11.155 1.00 28.20 O ATOM 895 CB SER A1948 25.712 6.507 9.994 1.00 30.95 C ATOM 896 OG SER A1948 24.802 7.188 9.149 1.00 27.32 O ATOM 897 HG SER A1948 23.914 7.227 9.585 1.00 0.00 H ATOM 898 H SER A1948 23.717 6.977 11.458 1.00 0.00 H ATOM 899 N ASP A1949 27.421 8.995 10.715 1.00 30.49 N ATOM 900 CA ASP A1949 27.837 10.378 10.453 1.00 30.50 C ATOM 901 C ASP A1949 27.074 10.984 9.309 1.00 27.65 C ATOM 902 O ASP A1949 26.646 12.152 9.398 1.00 27.65 O ATOM 903 CB ASP A1949 29.336 10.457 10.209 1.00 30.96 C ATOM 904 CG ASP A1949 30.122 10.096 11.450 1.00 35.40 C ATOM 905 OD1 ASP A1949 29.935 10.799 12.487 1.00 34.44 O ATOM 906 OD2 ASP A1949 30.874 9.101 11.410 1.00 36.18 O ATOM 907 H ASP A1949 28.113 8.224 10.623 1.00 0.00 H ATOM 908 N ILE A1950 26.866 10.197 8.234 1.00 25.18 N ATOM 909 CA ILE A1950 26.128 10.679 7.100 1.00 22.81 C ATOM 910 C ILE A1950 24.639 10.883 7.469 1.00 22.60 C ATOM 911 O ILE A1950 24.033 11.900 7.069 1.00 22.41 O ATOM 912 CB ILE A1950 26.274 9.755 5.863 1.00 22.50 C ATOM 913 CG1 ILE A1950 27.723 9.750 5.340 1.00 23.24 C ATOM 914 CG2 ILE A1950 25.331 10.181 4.756 1.00 21.42 C ATOM 915 CD1 ILE A1950 27.995 8.661 4.337 1.00 23.82 C ATOM 916 H ILE A1950 27.245 9.228 8.226 1.00 0.00 H ATOM 917 N GLY A1951 24.065 9.952 8.209 1.00 22.94 N ATOM 918 CA GLY A1951 22.650 10.038 8.572 1.00 24.16 C ATOM 919 C GLY A1951 22.374 11.240 9.495 1.00 24.02 C ATOM 920 O GLY A1951 21.426 11.983 9.254 1.00 25.49 O ATOM 921 H GLY A1951 24.629 9.143 8.540 1.00 0.00 H ATOM 922 N ARG A1952 23.248 11.460 10.456 1.00 28.58 N ATOM 923 CA ARG A1952 23.182 12.641 11.303 1.00 28.80 C ATOM 924 C ARG A1952 23.302 13.943 10.479 1.00 25.87 C ATOM 925 O ARG A1952 22.519 14.874 10.693 1.00 23.90 O ATOM 926 CB ARG A1952 24.261 12.617 12.381 1.00 34.09 C ATOM 927 CG ARG A1952 24.128 11.536 13.423 1.00 41.65 C ATOM 928 CD ARG A1952 25.211 11.731 14.502 1.00 47.94 C ATOM 929 NE ARG A1952 25.362 10.590 15.366 1.00 55.31 N ATOM 930 CZ ARG A1952 26.338 9.702 15.285 1.00 61.10 C ATOM 931 NH1 ARG A1952 27.274 9.782 14.332 1.00 60.68 N ATOM 932 NH2 ARG A1952 26.383 8.709 16.182 1.00 69.47 N ATOM 933 HE ARG A1952 24.649 10.454 16.111 1.00 0.00 H ATOM 934 HH12 ARG A1952 28.033 9.072 14.287 1.00 0.00 H ATOM 935 HH11 ARG A1952 27.243 10.554 13.636 1.00 0.00 H ATOM 936 HH22 ARG A1952 27.143 8.000 16.136 1.00 0.00 H ATOM 937 HH21 ARG A1952 25.658 8.646 16.925 1.00 0.00 H ATOM 938 H ARG A1952 24.008 10.768 10.614 1.00 0.00 H ATOM 939 N ALA A1953 24.271 13.996 9.550 1.00 24.54 N ATOM 940 CA ALA A1953 24.456 15.134 8.679 1.00 23.77 C ATOM 941 C ALA A1953 23.178 15.452 7.915 1.00 21.51 C ATOM 942 O ALA A1953 22.801 16.626 7.780 1.00 21.01 O ATOM 943 CB ALA A1953 25.626 14.931 7.708 1.00 24.95 C ATOM 944 H ALA A1953 24.914 13.185 9.454 1.00 0.00 H ATOM 945 N GLY A1954 22.556 14.419 7.358 1.00 21.34 N ATOM 946 CA GLY A1954 21.322 14.586 6.640 1.00 21.21 C ATOM 947 C GLY A1954 20.205 15.165 7.483 1.00 21.82 C ATOM 948 O GLY A1954 19.502 16.110 7.044 1.00 20.26 O ATOM 949 H GLY A1954 22.971 13.469 7.443 1.00 0.00 H ATOM 950 N HIS A1955 20.026 14.629 8.695 1.00 22.44 N ATOM 951 CA HIS A1955 19.024 15.172 9.606 1.00 24.24 C ATOM 952 C HIS A1955 19.289 16.653 9.899 1.00 22.16 C ATOM 953 O HIS A1955 18.356 17.460 9.871 1.00 23.15 O ATOM 954 CB HIS A1955 18.944 14.332 10.889 1.00 27.64 C ATOM 955 CG HIS A1955 18.176 13.067 10.713 1.00 30.82 C ATOM 956 ND1 HIS A1955 16.820 13.063 10.454 1.00 34.24 N ATOM 957 CD2 HIS A1955 18.551 11.770 10.751 1.00 32.92 C ATOM 958 CE1 HIS A1955 16.391 11.816 10.366 1.00 37.27 C ATOM 959 NE2 HIS A1955 17.424 11.009 10.539 1.00 35.52 N ATOM 960 H HIS A1955 20.606 13.818 8.991 1.00 0.00 H ATOM 961 N ASN A1956 20.543 17.004 10.180 1.00 22.80 N ATOM 962 CA ASN A1956 20.950 18.387 10.424 1.00 22.12 C ATOM 963 C ASN A1956 20.671 19.326 9.252 1.00 21.33 C ATOM 964 O ASN A1956 20.088 20.433 9.409 1.00 21.70 O ATOM 965 CB ASN A1956 22.424 18.465 10.784 1.00 24.17 C ATOM 966 CG ASN A1956 22.754 17.887 12.168 1.00 27.00 C ATOM 967 OD1 ASN A1956 21.887 17.543 12.975 1.00 28.68 O ATOM 968 ND2 ASN A1956 24.040 17.848 12.468 1.00 29.28 N ATOM 969 HD22 ASN A1956 24.747 18.145 11.765 1.00 0.00 H ATOM 970 HD21 ASN A1956 24.345 17.520 13.407 1.00 0.00 H ATOM 971 H ASN A1956 21.267 16.259 10.228 1.00 0.00 H ATOM 972 N MET A1957 21.047 18.866 8.068 1.00 19.18 N ATOM 973 CA MET A1957 20.834 19.678 6.875 1.00 20.06 C ATOM 974 C MET A1957 19.377 19.832 6.516 1.00 19.66 C ATOM 975 O MET A1957 18.963 20.900 6.058 1.00 20.04 O ATOM 976 CB MET A1957 21.580 19.077 5.695 1.00 20.31 C ATOM 977 CG MET A1957 23.107 19.074 5.814 1.00 23.02 C ATOM 978 SD MET A1957 23.879 20.671 6.080 1.00 27.93 S ATOM 979 CE MET A1957 23.228 21.692 4.735 1.00 27.82 C ATOM 980 H MET A1957 21.492 17.929 7.989 1.00 0.00 H ATOM 981 N ARG A1958 18.570 18.812 6.788 1.00 20.49 N ATOM 982 CA ARG A1958 17.144 18.939 6.549 1.00 20.13 C ATOM 983 C ARG A1958 16.556 20.058 7.447 1.00 21.86 C ATOM 984 O ARG A1958 15.832 20.934 6.941 1.00 21.42 O ATOM 985 CB ARG A1958 16.411 17.663 6.834 1.00 22.05 C ATOM 986 CG ARG A1958 14.940 17.740 6.429 1.00 23.47 C ATOM 987 CD ARG A1958 14.117 16.598 6.952 1.00 25.83 C ATOM 988 NE ARG A1958 14.472 15.272 6.427 1.00 25.61 N ATOM 989 CZ ARG A1958 14.015 14.751 5.278 1.00 26.77 C ATOM 990 NH1 ARG A1958 13.219 15.442 4.465 1.00 26.88 N ATOM 991 NH2 ARG A1958 14.347 13.513 4.956 1.00 27.51 N ATOM 992 HE ARG A1958 15.128 14.693 6.989 1.00 0.00 H ATOM 993 HH12 ARG A1958 12.880 15.013 3.581 1.00 0.00 H ATOM 994 HH11 ARG A1958 12.936 16.411 4.714 1.00 0.00 H ATOM 995 HH22 ARG A1958 14.000 13.096 4.069 1.00 0.00 H ATOM 996 HH21 ARG A1958 14.955 12.956 5.590 1.00 0.00 H ATOM 997 H ARG A1958 18.959 17.926 7.171 1.00 0.00 H ATOM 998 N LYS A1959 16.930 20.031 8.727 1.00 21.90 N ATOM 999 CA LYS A1959 16.459 21.018 9.676 1.00 26.05 C ATOM 1000 C LYS A1959 16.857 22.419 9.233 1.00 24.58 C ATOM 1001 O LYS A1959 16.017 23.318 9.215 1.00 24.35 O ATOM 1002 CB LYS A1959 16.955 20.746 11.079 1.00 28.53 C ATOM 1003 CG LYS A1959 16.430 21.739 12.095 1.00 35.31 C ATOM 1004 CD LYS A1959 15.128 21.301 12.779 1.00 41.40 C ATOM 1005 H LYS A1959 17.576 19.283 9.051 1.00 0.00 H ATOM 1006 N TYR A1960 18.124 22.569 8.849 1.00 22.35 N ATOM 1007 CA TYR A1960 18.695 23.803 8.385 1.00 22.33 C ATOM 1008 C TYR A1960 17.925 24.337 7.205 1.00 22.27 C ATOM 1009 O TYR A1960 17.557 25.561 7.190 1.00 21.34 O ATOM 1010 CB TYR A1960 20.161 23.590 8.090 1.00 21.50 C ATOM 1011 CG TYR A1960 20.967 24.796 7.764 1.00 23.39 C ATOM 1012 CD1 TYR A1960 21.356 25.701 8.739 1.00 25.68 C ATOM 1013 CD2 TYR A1960 21.331 25.055 6.445 1.00 22.58 C ATOM 1014 CE1 TYR A1960 22.109 26.800 8.435 1.00 28.61 C ATOM 1015 CE2 TYR A1960 22.131 26.131 6.147 1.00 25.64 C ATOM 1016 CZ TYR A1960 22.479 27.025 7.132 1.00 28.82 C ATOM 1017 OH TYR A1960 23.257 28.115 6.870 1.00 33.40 O ATOM 1018 HH TYR A1960 23.393 28.630 7.704 1.00 0.00 H ATOM 1019 H TYR A1960 18.743 21.734 8.888 1.00 0.00 H ATOM 1020 N PHE A1961 17.656 23.454 6.242 1.00 19.35 N ATOM 1021 CA PHE A1961 16.921 23.812 5.055 1.00 19.13 C ATOM 1022 C PHE A1961 15.496 24.282 5.367 1.00 19.10 C ATOM 1023 O PHE A1961 15.059 25.332 4.847 1.00 20.67 O ATOM 1024 CB PHE A1961 16.841 22.668 4.046 1.00 18.21 C ATOM 1025 CG PHE A1961 15.916 22.966 2.918 1.00 17.80 C ATOM 1026 CD1 PHE A1961 16.208 23.955 1.984 1.00 18.80 C ATOM 1027 CD2 PHE A1961 14.700 22.280 2.804 1.00 19.04 C ATOM 1028 CE1 PHE A1961 15.307 24.245 0.971 1.00 19.92 C ATOM 1029 CE2 PHE A1961 13.813 22.553 1.799 1.00 21.02 C ATOM 1030 CZ PHE A1961 14.111 23.512 0.870 1.00 21.13 C ATOM 1031 H PHE A1961 17.988 22.474 6.351 1.00 0.00 H ATOM 1032 N GLU A1962 14.778 23.522 6.173 1.00 19.91 N ATOM 1033 CA GLU A1962 13.365 23.807 6.321 1.00 21.72 C ATOM 1034 C GLU A1962 13.139 25.139 7.027 1.00 24.15 C ATOM 1035 O GLU A1962 12.101 25.797 6.784 1.00 25.48 O ATOM 1036 CB GLU A1962 12.655 22.664 7.041 1.00 24.23 C ATOM 1037 CG GLU A1962 12.591 21.363 6.223 1.00 23.46 C ATOM 1038 CD GLU A1962 11.826 21.434 4.908 1.00 24.90 C ATOM 1039 OE1 GLU A1962 11.084 22.437 4.649 1.00 24.65 O ATOM 1040 OE2 GLU A1962 11.905 20.436 4.126 1.00 25.03 O ATOM 1041 H GLU A1962 15.218 22.735 6.691 1.00 0.00 H ATOM 1042 N LYS A1963 14.028 25.474 7.984 1.00 25.28 N ATOM 1043 CA LYS A1963 13.961 26.769 8.667 1.00 27.70 C ATOM 1044 C LYS A1963 14.208 27.925 7.684 1.00 27.75 C ATOM 1045 O LYS A1963 13.479 28.928 7.677 1.00 28.20 O ATOM 1046 CB LYS A1963 14.914 26.880 9.872 1.00 31.45 C ATOM 1047 CG LYS A1963 14.721 28.226 10.594 1.00 37.18 C ATOM 1048 CD LYS A1963 15.909 28.665 11.443 1.00 41.53 C ATOM 1049 CE LYS A1963 15.785 30.056 12.072 1.00 45.94 C ATOM 1050 NZ LYS A1963 14.459 30.776 12.117 1.00 47.41 N ATOM 1051 HZ1 LYS A1963 14.109 30.917 11.148 1.00 0.00 H ATOM 1052 HZ2 LYS A1963 13.775 30.206 12.654 1.00 0.00 H ATOM 1053 HZ3 LYS A1963 14.583 31.699 12.580 1.00 0.00 H ATOM 1054 H LYS A1963 14.776 24.800 8.243 1.00 0.00 H ATOM 1055 N LYS A1964 15.225 27.791 6.841 1.00 26.65 N ATOM 1056 CA LYS A1964 15.432 28.805 5.792 1.00 28.78 C ATOM 1057 C LYS A1964 14.254 28.902 4.853 1.00 25.56 C ATOM 1058 O LYS A1964 13.860 29.999 4.429 1.00 28.87 O ATOM 1059 CB LYS A1964 16.709 28.509 5.017 1.00 29.05 C ATOM 1060 CG LYS A1964 17.897 28.893 5.849 1.00 34.56 C ATOM 1061 CD LYS A1964 19.164 28.523 5.194 1.00 37.35 C ATOM 1062 CE LYS A1964 20.318 28.932 6.091 1.00 41.67 C ATOM 1063 NZ LYS A1964 20.222 30.284 6.666 1.00 45.74 N ATOM 1064 HZ1 LYS A1964 20.183 30.984 5.898 1.00 0.00 H ATOM 1065 HZ2 LYS A1964 19.360 30.353 7.244 1.00 0.00 H ATOM 1066 HZ3 LYS A1964 21.055 30.466 7.261 1.00 0.00 H ATOM 1067 H LYS A1964 15.869 26.978 6.920 1.00 0.00 H ATOM 1068 N TRP A1965 13.696 27.754 4.485 1.00 24.45 N ATOM 1069 CA TRP A1965 12.547 27.727 3.582 1.00 24.42 C ATOM 1070 C TRP A1965 11.335 28.516 4.198 1.00 27.58 C ATOM 1071 O TRP A1965 10.767 29.382 3.552 1.00 29.17 O ATOM 1072 CB TRP A1965 12.153 26.297 3.263 1.00 24.07 C ATOM 1073 CG TRP A1965 11.176 26.181 2.155 1.00 24.50 C ATOM 1074 CD1 TRP A1965 9.813 25.909 2.236 1.00 27.56 C ATOM 1075 CD2 TRP A1965 11.452 26.412 0.768 1.00 25.35 C ATOM 1076 NE1 TRP A1965 9.263 25.900 0.968 1.00 29.54 N ATOM 1077 CE2 TRP A1965 10.257 26.200 0.057 1.00 27.69 C ATOM 1078 CE3 TRP A1965 12.627 26.720 0.047 1.00 23.86 C ATOM 1079 CZ2 TRP A1965 10.196 26.323 -1.339 1.00 30.36 C ATOM 1080 CZ3 TRP A1965 12.547 26.836 -1.336 1.00 25.58 C ATOM 1081 CH2 TRP A1965 11.362 26.655 -2.000 1.00 28.68 C ATOM 1082 HE1 TRP A1965 8.268 25.701 0.738 1.00 0.00 H ATOM 1083 H TRP A1965 14.083 26.859 4.846 1.00 0.00 H ATOM 1084 N THR A1966 10.990 28.203 5.450 1.00 27.96 N ATOM 1085 CA THR A1966 9.902 28.857 6.134 1.00 32.64 C ATOM 1086 C THR A1966 10.164 30.314 6.290 1.00 33.49 C ATOM 1087 O THR A1966 9.281 31.129 6.082 1.00 37.15 O ATOM 1088 CB THR A1966 9.686 28.263 7.538 1.00 35.35 C ATOM 1089 OG1 THR A1966 9.385 26.869 7.418 1.00 35.08 O ATOM 1090 CG2 THR A1966 8.544 28.937 8.216 1.00 41.98 C ATOM 1091 HG1 THR A1966 9.246 26.484 8.319 1.00 0.00 H ATOM 1092 H THR A1966 11.524 27.463 5.948 1.00 0.00 H ATOM 1093 N ASP A1967 11.381 30.658 6.686 1.00 32.94 N ATOM 1094 CA ASP A1967 11.692 32.054 6.960 1.00 35.72 C ATOM 1095 C ASP A1967 11.729 32.898 5.697 1.00 35.00 C ATOM 1096 O ASP A1967 11.483 34.096 5.741 1.00 36.56 O ATOM 1097 CB ASP A1967 13.034 32.190 7.633 1.00 36.10 C ATOM 1098 CG ASP A1967 13.021 31.745 9.075 1.00 38.68 C ATOM 1099 OD1 ASP A1967 11.950 31.523 9.695 1.00 39.91 O ATOM 1100 OD2 ASP A1967 14.131 31.595 9.569 1.00 39.13 O ATOM 1101 H ASP A1967 12.115 29.930 6.801 1.00 0.00 H ATOM 1102 N THR A1968 12.072 32.276 4.585 1.00 31.79 N ATOM 1103 CA THR A1968 12.199 32.994 3.310 1.00 32.59 C ATOM 1104 C THR A1968 10.861 33.134 2.586 1.00 34.33 C ATOM 1105 O THR A1968 10.532 34.196 2.027 1.00 37.83 O ATOM 1106 CB THR A1968 13.210 32.292 2.414 1.00 30.00 C ATOM 1107 OG1 THR A1968 14.450 32.215 3.099 1.00 30.07 O ATOM 1108 CG2 THR A1968 13.412 33.027 1.078 1.00 32.83 C ATOM 1109 HG1 THR A1968 14.331 31.703 3.938 1.00 0.00 H ATOM 1110 H THR A1968 12.257 31.253 4.612 1.00 0.00 H ATOM 1111 N PHE A1969 10.076 32.079 2.589 1.00 34.89 N ATOM 1112 CA PHE A1969 8.927 32.024 1.742 1.00 38.86 C ATOM 1113 C PHE A1969 7.583 32.014 2.476 1.00 46.42 C ATOM 1114 O PHE A1969 6.571 32.343 1.887 1.00 48.91 O ATOM 1115 CB PHE A1969 9.068 30.824 0.826 1.00 36.48 C ATOM 1116 CG PHE A1969 10.185 30.981 -0.182 1.00 33.24 C ATOM 1117 CD1 PHE A1969 10.118 31.982 -1.138 1.00 34.58 C ATOM 1118 CD2 PHE A1969 11.290 30.138 -0.176 1.00 29.91 C ATOM 1119 CE1 PHE A1969 11.131 32.138 -2.079 1.00 33.69 C ATOM 1120 CE2 PHE A1969 12.297 30.293 -1.119 1.00 29.62 C ATOM 1121 CZ PHE A1969 12.216 31.297 -2.064 1.00 31.58 C ATOM 1122 H PHE A1969 10.294 31.277 3.214 1.00 0.00 H ATOM 1123 N LYS A1970 7.572 31.693 3.762 1.00 52.64 N ATOM 1124 CA LYS A1970 6.331 31.833 4.533 1.00 64.96 C ATOM 1125 C LYS A1970 6.310 33.210 5.209 1.00 70.55 C ATOM 1126 O LYS A1970 6.780 33.366 6.344 1.00 72.89 O ATOM 1127 CB LYS A1970 6.188 30.697 5.551 1.00 67.57 C ATOM 1128 CG LYS A1970 6.373 29.307 4.959 1.00 67.67 C ATOM 1129 CD LYS A1970 5.380 29.017 3.834 1.00 73.06 C ATOM 1130 CE LYS A1970 4.895 27.569 3.869 1.00 77.75 C ATOM 1131 NZ LYS A1970 5.024 26.866 2.558 1.00 77.41 N ATOM 1132 HZ1 LYS A1970 4.461 27.366 1.841 1.00 0.00 H ATOM 1133 HZ2 LYS A1970 6.023 26.854 2.270 1.00 0.00 H ATOM 1134 HZ3 LYS A1970 4.677 25.890 2.654 1.00 0.00 H ATOM 1135 H LYS A1970 8.437 31.344 4.222 1.00 0.00 H ATOM 1136 N VAL A1971 5.783 34.201 4.483 1.00 75.76 N ATOM 1137 CA VAL A1971 5.798 35.618 4.908 1.00 82.45 C ATOM 1138 C VAL A1971 7.053 35.959 5.733 1.00 82.81 C ATOM 1139 O VAL A1971 8.187 35.813 5.257 1.00 81.77 O ATOM 1140 CB VAL A1971 4.514 36.014 5.696 1.00 87.47 C ATOM 1141 H VAL A1971 5.340 33.964 3.573 1.00 0.00 H TER 1142 VAL A1971 HETATM 1143 O HOH 1 22.687 12.852 -7.502 1.00 18.55 O HETATM 1144 O HOH 2 18.485 12.823 5.796 1.00 21.03 O HETATM 1145 O HOH 3 24.325 8.999 -7.440 1.00 24.98 O HETATM 1146 O HOH 4 29.789 14.872 -1.673 1.00 19.63 O HETATM 1147 O HOH 5 26.495 24.178 -12.021 1.00 30.33 O HETATM 1148 O HOH 6 11.022 15.164 -2.803 1.00 23.71 O HETATM 1149 O HOH 7 23.847 32.808 -3.754 1.00 47.23 O HETATM 1150 O HOH 8 25.482 12.872 -2.339 1.00 21.60 O HETATM 1151 O HOH 9 18.165 4.410 11.236 1.00 36.13 O HETATM 1152 O HOH 10 4.402 31.098 -6.515 1.00 41.04 O HETATM 1153 O HOH 11 15.122 36.086 -8.822 1.00 27.34 O HETATM 1154 O HOH 12 8.441 30.122 -8.260 1.00 22.44 O HETATM 1155 O HOH 13 15.596 26.846 -12.622 1.00 27.01 O HETATM 1156 O HOH 14 32.614 20.238 5.613 1.00 33.53 O HETATM 1157 O HOH 15 18.227 27.363 9.078 1.00 26.15 O HETATM 1158 O HOH 16 22.816 12.961 -2.073 1.00 21.29 O HETATM 1159 O HOH 17 30.352 22.640 2.954 1.00 23.59 O HETATM 1160 O HOH 18 13.774 8.956 -1.250 1.00 32.03 O HETATM 1161 O HOH 19 26.842 22.209 -10.256 1.00 24.78 O HETATM 1162 O HOH 20 16.544 13.832 7.596 1.00 29.00 O HETATM 1163 O HOH 21 28.169 23.160 -8.021 1.00 30.88 O HETATM 1164 O HOH 22 14.852 8.189 -4.685 1.00 26.26 O HETATM 1165 O HOH 23 14.204 5.499 -4.068 1.00 37.79 O HETATM 1166 O HOH 24 21.385 11.842 -0.132 1.00 23.21 O HETATM 1167 O HOH 25 7.705 18.220 -0.170 1.00 32.69 O HETATM 1168 O HOH 26 21.013 35.001 -4.956 1.00 34.81 O HETATM 1169 O HOH 27 15.621 2.123 4.160 1.00 30.29 O HETATM 1170 O HOH 28 11.522 12.732 -1.719 1.00 28.22 O HETATM 1171 O HOH 29 10.156 25.441 9.475 1.00 43.92 O HETATM 1172 O HOH 30 22.358 21.983 -17.330 1.00 28.30 O HETATM 1173 O HOH 31 11.970 24.657 -15.935 1.00 32.49 O HETATM 1174 O HOH 32 21.040 10.774 -3.694 1.00 21.10 O HETATM 1175 O HOH 33 17.729 1.092 -10.057 1.00 53.33 O HETATM 1176 O HOH 34 32.497 15.652 -2.157 1.00 29.32 O HETATM 1177 O HOH 35 10.608 14.379 -5.384 1.00 30.07 O HETATM 1178 O HOH 36 9.749 24.389 5.806 1.00 30.82 O HETATM 1179 O HOH 37 -7.767 38.066 -8.569 1.00 34.94 O HETATM 1180 O HOH 38 26.671 22.710 -5.759 1.00 27.88 O HETATM 1181 O HOH 39 19.225 8.412 8.366 1.00 24.53 O HETATM 1182 O HOH 40 25.909 27.914 5.673 1.00 28.72 O HETATM 1183 O HOH 41 23.639 32.902 0.587 1.00 47.96 O HETATM 1184 O HOH 42 8.328 31.295 -10.835 1.00 32.73 O HETATM 1185 O HOH 43 32.566 15.929 0.606 1.00 26.51 O HETATM 1186 O HOH 44 27.898 21.003 -4.313 1.00 32.21 O HETATM 1187 O HOH 45 -10.084 30.935 -9.556 1.00 24.50 O HETATM 1188 O HOH 46 15.731 38.667 -8.145 1.00 48.23 O HETATM 1189 O HOH 47 22.894 30.299 8.266 1.00 46.98 O HETATM 1190 O HOH 48 16.727 15.604 -12.501 1.00 34.37 O HETATM 1191 O HOH 49 11.567 10.074 -2.522 1.00 31.30 O HETATM 1192 O HOH 50 -2.205 37.837 -8.123 1.00 63.65 O HETATM 1193 O HOH 51 16.641 39.455 -5.780 1.00 47.51 O HETATM 1194 O HOH 52 28.465 7.801 8.071 1.00 32.08 O HETATM 1195 O HOH 53 12.219 16.070 -7.152 1.00 29.44 O HETATM 1196 O HOH 54 21.490 19.435 -16.118 1.00 32.20 O HETATM 1197 O HOH 55 -7.518 31.668 -14.629 1.00 44.78 O HETATM 1198 O HOH 56 33.236 17.924 -3.175 1.00 35.65 O HETATM 1199 O HOH 57 16.528 31.767 8.169 1.00 37.38 O HETATM 1200 O HOH 58 22.331 28.816 -9.567 1.00 35.55 O HETATM 1201 O HOH 59 12.305 9.215 -5.118 1.00 31.32 O HETATM 1202 O HOH 60 18.202 17.324 -15.407 1.00 42.95 O HETATM 1203 O HOH 61 5.022 22.271 -9.635 1.00 43.06 O HETATM 1204 O HOH 62 32.341 19.859 -4.489 1.00 50.83 O HETATM 1205 O HOH 63 17.189 11.578 -9.874 1.00 36.09 O HETATM 1206 O HOH 64 0.099 32.037 -5.182 1.00 48.54 O HETATM 1207 O HOH 65 26.380 0.074 10.164 1.00 49.45 O HETATM 1208 O HOH 66 25.965 17.014 -10.795 1.00 46.80 O HETATM 1209 O HOH 67 -14.733 29.806 -15.206 1.00 33.07 O HETATM 1210 O HOH 68 4.844 26.446 -12.310 1.00 42.13 O HETATM 1211 O HOH 69 17.330 7.489 -11.840 1.00 43.88 O HETATM 1212 O HOH 70 25.534 30.594 5.607 1.00 49.04 O HETATM 1213 O HOH 71 34.123 13.414 -2.827 1.00 38.31 O HETATM 1214 O HOH 72 5.830 29.829 -8.291 1.00 38.04 O HETATM 1215 O HOH 73 14.378 15.488 -9.835 1.00 31.64 O HETATM 1216 O HOH 74 11.567 14.713 -9.553 1.00 50.39 O HETATM 1217 O HOH 75 21.983 18.529 -13.741 1.00 39.10 O HETATM 1218 O HOH 76 7.305 24.950 4.865 1.00 44.54 O HETATM 1219 O HOH 77 6.162 36.670 -2.584 1.00 43.47 O HETATM 1220 O HOH 78 24.872 18.224 -13.240 1.00 44.60 O HETATM 1221 O HOH 79 33.575 18.517 1.411 1.00 39.74 O HETATM 1222 O HOH 80 29.074 6.529 10.584 1.00 41.88 O HETATM 1223 O HOH 81 28.141 27.822 7.407 1.00 55.93 O HETATM 1224 O HOH 82 7.310 17.886 2.765 1.00 45.23 O HETATM 1225 O HOH 83 -10.104 37.551 -15.359 1.00 52.79 O HETATM 1226 O HOH 84 -7.646 34.141 -15.648 1.00 59.62 O HETATM 1227 O HOH 85 23.675 14.449 -11.584 1.00 40.13 O HETATM 1228 O HOH 86 34.183 14.137 2.313 1.00 39.20 O HETATM 1229 O HOH 87 26.722 20.144 -13.751 1.00 48.36 O HETATM 1230 O HOH 88 33.371 23.176 6.227 1.00 50.90 O HETATM 1231 O HOH 89 3.624 38.048 -2.755 1.00 42.67 O HETATM 1232 O HOH 90 19.478 30.484 -13.085 1.00 34.79 O HETATM 1233 O HOH 91 6.713 23.795 2.548 1.00 47.95 O HETATM 1234 O HOH 92 10.625 12.702 4.674 1.00 39.18 O HETATM 1235 O HOH 93 15.715 17.178 10.561 1.00 37.08 O HETATM 1236 O HOH 94 19.769 4.564 -9.160 1.00 44.08 O HETATM 1237 O HOH 95 7.623 21.532 -2.792 1.00 45.45 O HETATM 1238 O HOH 96 8.602 15.404 -9.196 1.00 47.99 O HETATM 1239 O HOH 97 15.382 -6.992 -8.996 1.00 40.31 O HETATM 1240 O HOH 98 12.712 13.386 8.768 1.00 48.55 O HETATM 1241 O HOH 99 7.084 29.874 -12.479 1.00 48.00 O HETATM 1242 O HOH 100 25.633 3.739 -13.222 1.00 58.11 O HETATM 1243 O HOH 101 10.594 7.564 -6.419 1.00 45.57 O HETATM 1244 O HOH 102 14.888 14.829 10.479 1.00 41.57 O HETATM 1245 O HOH 103 9.462 14.569 5.558 1.00 47.28 O HETATM 1246 O HOH 104 23.371 10.988 -5.696 1.00 21.97 O HETATM 1247 O HOH 105 23.700 9.592 -10.052 1.00 28.09 O HETATM 1248 O HOH 106 26.076 9.409 -11.297 1.00 40.76 O HETATM 1249 O HOH 107 28.411 8.108 -9.746 1.00 45.52 O HETATM 1250 O HOH 108 29.322 6.013 -11.663 1.00 55.72 O HETATM 1251 O HOH 109 30.071 9.698 -9.319 1.00 44.64 O HETATM 1252 O HOH 110 30.183 11.300 -7.518 1.00 37.74 O HETATM 1253 O HOH 111 32.371 11.108 -5.531 1.00 43.72 O HETATM 1254 O HOH 112 21.824 8.497 -11.582 1.00 32.66 O HETATM 1255 O HOH 113 21.318 11.503 -14.517 1.00 58.14 O HETATM 1256 O HOH 114 19.629 10.997 7.435 1.00 22.64 O HETATM 1257 O HOH 115 9.777 14.702 1.477 1.00 27.86 O HETATM 1258 O HOH 116 9.820 16.448 3.633 1.00 34.95 O HETATM 1259 O HOH 117 11.761 17.939 4.887 1.00 24.31 O HETATM 1260 O HOH 118 9.070 15.909 -0.809 1.00 31.38 O HETATM 1261 O HOH 119 9.583 36.310 -4.998 1.00 28.92 O HETATM 1262 O HOH 120 24.463 3.501 7.734 1.00 29.07 O HETATM 1263 O HOH 121 21.228 8.396 16.159 1.00 55.13 O HETATM 1264 O HOH 122 21.005 13.131 14.460 1.00 46.25 O HETATM 1265 O HOH 123 9.172 17.960 -9.644 1.00 44.45 O HETATM 1266 O HOH 124 6.646 18.752 -9.133 1.00 40.64 O HETATM 1267 O HOH 125 -5.385 39.153 -8.934 1.00 55.64 O HETATM 1268 O HOH 126 -1.367 36.500 -2.874 1.00 50.06 O HETATM 1269 O HOH 127 -2.501 31.346 -6.125 1.00 52.43 O HETATM 1270 O HOH 128 3.121 33.009 -8.037 1.00 41.72 O HETATM 1271 O HOH 129 7.145 23.272 0.053 1.00 43.17 O HETATM 1272 O HOH 130 6.031 20.859 -7.536 1.00 53.70 O HETATM 1273 O HOH 131 11.981 20.503 -12.086 1.00 38.39 O HETATM 1274 O HOH 132 12.790 18.396 -10.956 1.00 32.79 O HETATM 1275 O HOH 133 11.578 18.567 -8.488 1.00 26.74 O HETATM 1276 O HOH 134 12.936 20.660 -15.911 1.00 57.94 O HETATM 1277 O HOH 135 20.031 16.638 -13.774 1.00 36.90 O HETATM 1278 O HOH 136 30.431 21.294 -7.852 1.00 44.19 O HETATM 1279 O HOH 137 29.968 22.480 -3.735 1.00 43.56 O HETATM 1280 O HOH 138 30.622 23.606 -1.217 1.00 31.88 O HETATM 1281 O HOH 139 30.643 26.367 -2.003 1.00 51.73 O HETATM 1282 O HOH 140 28.709 27.768 -2.599 1.00 44.11 O HETATM 1283 O HOH 141 27.700 27.661 -9.818 1.00 52.42 O HETATM 1284 O HOH 142 26.016 26.825 -11.677 1.00 34.78 O HETATM 1285 O HOH 143 24.310 33.996 -1.521 1.00 56.91 O HETATM 1286 O HOH 144 21.083 35.552 -7.400 1.00 57.84 O HETATM 1287 O HOH 145 19.708 35.088 -9.598 1.00 57.72 O HETATM 1288 O HOH 146 16.240 38.477 -3.369 1.00 51.66 O HETATM 1289 O HOH 147 16.442 32.567 5.384 1.00 46.11 O HETATM 1290 O HOH 148 15.158 34.926 5.430 1.00 54.13 O HETATM 1291 O HOH 149 18.583 30.139 8.977 1.00 42.34 O HETATM 1292 O HOH 150 23.276 31.785 6.720 1.00 52.20 O HETATM 1293 O HOH 151 29.831 30.992 -0.733 1.00 54.75 O HETATM 1294 O HOH 152 33.169 22.686 -0.346 1.00 48.09 O HETATM 1295 O HOH 153 31.531 20.328 3.194 1.00 33.63 O HETATM 1296 O HOH 154 35.768 16.335 -5.518 1.00 59.58 O HETATM 1297 O HOH 155 32.832 19.890 14.050 1.00 40.25 O HETATM 1298 O HOH 156 21.702 9.141 0.030 1.00 21.42 O HETATM 1299 O HOH 157 27.252 11.615 -12.070 1.00 47.12 O HETATM 1300 O HOH 158 20.540 5.868 -11.251 1.00 41.10 O HETATM 1301 O HOH 159 19.336 9.849 -12.221 1.00 55.63 O HETATM 1302 O HOH 160 12.130 15.999 -11.897 1.00 50.87 O HETATM 1303 O HOH 161 9.227 19.801 -12.772 1.00 46.23 O HETATM 1304 O HOH 162 7.688 11.660 -4.165 1.00 59.99 O HETATM 1305 O HOH 163 7.576 13.421 2.035 1.00 43.65 O HETATM 1306 O HOH 164 7.031 14.508 -1.828 1.00 49.76 O HETATM 1307 O HOH 165 10.792 18.073 7.465 1.00 38.15 O HETATM 1308 O HOH 166 13.020 18.730 9.349 1.00 41.45 O HETATM 1309 O HOH 167 11.844 20.918 10.152 1.00 46.57 O HETATM 1310 O HOH 168 9.577 20.633 8.470 1.00 51.91 O HETATM 1311 O HOH 169 8.766 22.955 7.974 1.00 44.29 O HETATM 1312 O HOH 170 7.963 20.473 5.105 1.00 49.49 O HETATM 1313 O HOH 171 25.804 1.773 -6.315 1.00 37.16 O HETATM 1314 O HOH 172 23.472 -0.945 -6.162 1.00 38.63 O HETATM 1315 O HOH 173 27.170 0.000 0.000 1.00 48.29 O HETATM 1316 O HOH 174 16.679 13.095 14.342 1.00 57.95 O HETATM 1317 O HOH 175 25.727 2.720 10.027 1.00 39.65 O HETATM 1318 O HOH 176 25.773 4.129 12.626 1.00 59.97 O HETATM 1319 O HOH 177 28.723 4.047 9.372 1.00 45.28 O HETATM 1320 O HOH 178 28.223 1.076 7.049 1.00 59.77 O HETATM 1321 O HOH 179 25.827 5.160 6.113 1.00 37.11 O HETATM 1322 O HOH 180 17.182 10.616 14.231 1.00 57.88 O HETATM 1323 O HOH 181 16.699 7.092 15.087 1.00 54.68 O HETATM 1324 O HOH 182 12.108 29.507 12.802 1.00 60.63 O HETATM 1325 O HOH 183 12.313 36.768 1.914 1.00 54.39 O HETATM 1326 O HOH 184 30.946 13.438 -9.098 1.00 46.72 O HETATM 1327 O HOH 185 15.843 13.490 -11.031 1.00 44.01 O HETATM 1328 O HOH 186 13.645 6.416 -0.963 1.00 47.49 O HETATM 1329 O HOH 187 20.610 4.354 13.556 1.00 43.44 O HETATM 1330 O HOH 188 31.237 8.846 6.978 1.00 44.93 O HETATM 1331 O HOH 189 31.827 8.033 4.799 1.00 48.86 O HETATM 1332 O HOH 190 35.379 9.449 2.050 1.00 58.05 O HETATM 1333 O HOH 191 33.981 8.606 -0.799 1.00 48.20 O HETATM 1334 O HOH 192 20.124 10.944 13.703 1.00 58.69 O HETATM 1335 O HOH 193 13.601 5.996 5.931 1.00 60.61 O HETATM 1336 O HOH 194 13.490 3.760 4.847 1.00 53.30 O HETATM 1337 O HOH 195 19.179 14.399 -12.430 1.00 43.18 O HETATM 1338 O HOH 196 3.675 28.207 -5.136 1.00 48.38 O HETATM 1339 O HOH 197 9.595 41.694 -5.475 1.00 58.18 O HETATM 1340 O HOH 198 3.647 36.770 -9.303 1.00 70.77 O HETATM 1341 O HOH 199 5.247 38.882 -9.820 1.00 64.12 O HETATM 1342 O HOH 200 21.036 31.121 -10.024 1.00 58.13 O HETATM 1343 O HOH 201 28.909 25.992 -7.833 1.00 55.00 O HETATM 1344 O HOH 202 26.725 31.000 2.535 1.00 56.38 O HETATM 1345 O HOH 203 14.933 18.585 -15.747 1.00 54.68 O HETATM 1346 O HOH 204 13.673 23.095 10.615 1.00 45.37 O HETATM 1347 O HOH 205 11.704 27.212 11.224 1.00 58.90 O HETATM 1348 O HOH 206 17.201 33.129 12.685 1.00 53.05 O HETATM 1349 O HOH 207 11.936 31.833 14.313 1.00 60.43 O HETATM 1350 O HOH 208 22.718 12.195 -10.120 1.00 26.60 O HETATM 1351 O HOH 209 20.549 12.653 -10.437 1.00 38.04 O HETATM 1352 O HOH 210 17.256 9.857 -11.993 1.00 49.68 O HETATM 1353 O HOH 211 11.163 11.598 -6.297 1.00 37.43 O HETATM 1354 O HOH 212 35.743 12.123 1.695 1.00 44.67 O HETATM 1355 O HOH 213 22.221 30.688 -15.338 1.00 50.67 O HETATM 1356 O HOH 214 29.659 24.737 -4.821 1.00 58.24 O HETATM 1357 C01 IR A 6 24.589 10.872 0.734 1.00 0.01 C HETATM 1358 C02 IR A 6 25.113 9.422 0.907 1.00 0.13 C HETATM 1359 O01 IR A 6 24.353 8.496 1.162 1.00 -0.40 O HETATM 1360 C03 IR A 6 26.481 9.242 0.772 1.00 0.12 C HETATM 1361 C04 IR A 6 27.416 10.280 0.567 1.00 -0.06 C HETATM 1362 C05 IR A 6 28.714 9.646 0.479 1.00 -0.03 C HETATM 1363 C06 IR A 6 29.987 10.354 0.380 1.00 -0.03 C HETATM 1364 C07 IR A 6 30.561 10.605 1.615 1.00 -0.07 C HETATM 1365 C08 IR A 6 31.777 11.238 1.699 1.00 -0.07 C HETATM 1366 C09 IR A 6 32.390 11.733 0.573 1.00 -0.07 C HETATM 1367 C10 IR A 6 31.840 11.520 -0.664 1.00 -0.05 C HETATM 1368 C11 IR A 6 30.625 10.859 -0.752 1.00 0.08 C HETATM 1369 S IR A 6 29.980 10.645 -2.377 1.00 -0.01 S HETATM 1370 C12 IR A 6 28.667 11.808 -2.565 1.00 0.06 C HETATM 1371 H9 IR A 6 28.232 11.710 -3.571 1.00 0.05 H HETATM 1372 H10 IR A 6 29.058 12.827 -2.432 1.00 0.05 H HETATM 1373 H11 IR A 6 27.892 11.611 -1.809 1.00 0.05 H HETATM 1374 O02 IR A 6 31.021 10.997 -3.310 1.00 -0.17 O HETATM 1375 O03 IR A 6 29.423 9.324 -2.467 1.00 -0.17 O HETATM 1376 H8 IR A 6 32.347 11.863 -1.559 1.00 0.06 H HETATM 1377 H7 IR A 6 33.313 12.294 0.664 1.00 0.05 H HETATM 1378 H6 IR A 6 32.258 11.348 2.664 1.00 0.06 H HETATM 1379 H5 IR A 6 30.048 10.300 2.520 1.00 0.05 H HETATM 1380 C13 IR A 6 28.506 8.267 0.703 1.00 0.08 C HETATM 1381 C14 IR A 6 29.404 7.167 0.763 1.00 0.00 C HETATM 1382 C15 IR A 6 28.887 5.938 0.973 1.00 0.12 C HETATM 1383 O1 IR A 6 29.665 4.771 1.038 1.00 -0.25 O HETATM 1384 C16 IR A 6 31.047 4.809 1.225 1.00 0.12 C HETATM 1385 C17 IR A 6 31.873 4.393 0.192 1.00 -0.03 C HETATM 1386 C18 IR A 6 33.248 4.403 0.372 1.00 -0.07 C HETATM 1387 C19 IR A 6 33.795 4.810 1.574 1.00 -0.07 C HETATM 1388 C20 IR A 6 32.970 5.204 2.605 1.00 -0.07 C HETATM 1389 C21 IR A 6 31.583 5.216 2.437 1.00 -0.03 C HETATM 1390 H17 IR A 6 30.935 5.539 3.244 1.00 0.06 H HETATM 1391 H16 IR A 6 33.400 5.507 3.553 1.00 0.06 H HETATM 1392 H15 IR A 6 34.871 4.819 1.706 1.00 0.05 H HETATM 1393 H14 IR A 6 33.899 4.089 -0.436 1.00 0.06 H HETATM 1394 H13 IR A 6 31.447 4.063 -0.749 1.00 0.06 H HETATM 1395 C22 IR A 6 27.532 5.718 1.134 1.00 0.02 C HETATM 1396 C1 IR A 6 26.662 6.776 1.061 1.00 0.08 C HETATM 1397 N1 IR A 6 27.134 8.040 0.821 1.00 -0.22 N HETATM 1398 H19 IR A 6 25.594 6.611 1.194 1.00 0.12 H HETATM 1399 H18 IR A 6 27.158 4.712 1.317 1.00 0.06 H HETATM 1400 H12 IR A 6 30.477 7.311 0.643 1.00 0.05 H HETATM 1401 H4 IR A 6 27.203 11.345 0.490 1.00 0.04 H HETATM 1402 H1 IR A 6 25.432 11.542 0.511 1.00 0.04 H HETATM 1403 H2 IR A 6 24.098 11.198 1.663 1.00 0.04 H HETATM 1404 H3 IR A 6 23.866 10.904 -0.094 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1357 1358 1402 1403 1404 CONECT 1358 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 1361 1397 CONECT 1361 1360 1362 1401 CONECT 1362 1361 1363 1380 CONECT 1363 1362 1364 1368 CONECT 1364 1363 1365 1379 CONECT 1365 1364 1366 1378 CONECT 1366 1365 1367 1377 CONECT 1367 1366 1368 1376 CONECT 1368 1363 1367 1369 CONECT 1369 1368 1370 1374 1375 CONECT 1370 1369 1371 1372 1373 CONECT 1371 1370 CONECT 1372 1370 CONECT 1373 1370 CONECT 1374 1369 CONECT 1375 1369 CONECT 1376 1367 CONECT 1377 1366 CONECT 1378 1365 CONECT 1379 1364 CONECT 1380 1362 1381 1397 CONECT 1381 1380 1382 1400 CONECT 1382 1381 1383 1395 CONECT 1383 1382 1384 CONECT 1384 1383 1385 1389 CONECT 1385 1384 1386 1394 CONECT 1386 1385 1387 1393 CONECT 1387 1386 1388 1392 CONECT 1388 1387 1389 1391 CONECT 1389 1384 1388 1390 CONECT 1390 1389 CONECT 1391 1388 CONECT 1392 1387 CONECT 1393 1386 CONECT 1394 1385 CONECT 1395 1382 1396 1399 CONECT 1396 1395 1397 1398 CONECT 1397 1360 1380 1396 CONECT 1398 1396 CONECT 1399 1395 CONECT 1400 1381 CONECT 1401 1361 CONECT 1402 1357 CONECT 1403 1357 CONECT 1404 1357 MASTER 0 0 0 0 0 0 0 0 1403 1 52 9 END
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Structure:
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PDBbind
116aa, >5L99_1|Chain... at 100%
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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
4ir6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bromodomain of human BAZ2B
Ligand Name
IR6
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.84uM
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
4
S
Molecular Weight
405.466
Exact Mass
405.103
No. of atoms
48
No. of bonds
51
Polar Surface Area
73.23
LOGP Value
4.91 (
Computed with XLOGP3
)
6.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
CC(=O)c1cc(c2n1ccc(c2)Oc1ccccc1)c1ccccc1S(=O)(=O)C
InChI String
InChI=1S/C23H19NO4S/c1-16(25)21-15-20(19-10-6-7-11-23(19)29(2,26)27)22-14-18(12-13-24(21)22)28-17-8-4-3-5-9-17/h3-15H,1-2H3
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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