Browse entries in the PDBbind-CN Database
HEADER 4RVR_COMPLEX COMPND 4RVR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 SER MET SER VAL LYS LYS PRO LYS ARG ASP ASP SER LYS SEQRES 2 A 117 ASP LEU ALA LEU CYS SER MET ILE LEU THR GLU MET GLU SEQRES 3 A 117 THR HIS GLU ASP ALA TRP PRO PHE LEU LEU PRO VAL ASN SEQRES 4 A 117 LEU LYS LEU VAL PRO GLY TYR LYS LYS VAL ILE LYS LYS SEQRES 5 A 117 PRO MET ASP PHE SER THR ILE ARG GLU LYS LEU SER SER SEQRES 6 A 117 GLY GLN TYR PRO ASN LEU GLU THR PHE ALA LEU ASP VAL SEQRES 7 A 117 ARG LEU VAL PHE ASP ASN CYS GLU THR PHE ASN GLU ASP SEQRES 8 A 117 ASP SER ASP ILE GLY ARG ALA GLY HIS ASN MET ARG LYS SEQRES 9 A 117 TYR PHE GLU LYS LYS TRP THR ASP THR PHE LYS VAL SER HET UNN A 294 47 ATOM 1 N SER A1856 30.549 19.480 12.337 1.00 41.97 N ATOM 2 CA SER A1856 30.077 20.121 13.584 1.00 39.44 C ATOM 3 C SER A1856 30.190 19.113 14.728 1.00 39.64 C ATOM 4 O SER A1856 30.775 18.021 14.559 1.00 37.57 O ATOM 5 CB SER A1856 28.628 20.597 13.400 1.00 36.05 C ATOM 6 OG SER A1856 27.742 19.496 13.290 1.00 38.85 O ATOM 7 HG SER A1856 27.795 18.948 14.113 1.00 0.00 H ATOM 8 HN3 SER A1856 29.961 18.647 12.133 1.00 0.00 H ATOM 9 HN2 SER A1856 31.540 19.187 12.453 1.00 0.00 H ATOM 10 HN1 SER A1856 30.476 20.158 11.551 1.00 0.00 H ATOM 11 N MET A1857 29.626 19.472 15.879 1.00 38.25 N ATOM 12 CA MET A1857 29.711 18.673 17.099 1.00 45.45 C ATOM 13 C MET A1857 29.234 17.242 16.888 1.00 37.33 C ATOM 14 O MET A1857 28.073 17.008 16.530 1.00 37.80 O ATOM 15 CB MET A1857 28.885 19.317 18.232 1.00 44.32 C ATOM 16 CG MET A1857 29.418 18.994 19.596 1.00 38.76 C ATOM 17 SD MET A1857 28.325 19.382 20.957 1.00 38.19 S ATOM 18 CE MET A1857 27.652 20.986 20.599 1.00 45.24 C ATOM 19 H MET A1857 29.098 20.367 15.911 1.00 0.00 H ATOM 20 N SER A1858 30.169 16.305 17.123 1.00 40.01 N ATOM 21 CA SER A1858 29.989 14.847 16.981 1.00 45.41 C ATOM 22 C SER A1858 29.732 14.379 15.546 1.00 46.25 C ATOM 23 O SER A1858 29.241 13.263 15.330 1.00 52.53 O ATOM 24 CB SER A1858 28.908 14.320 17.911 1.00 44.95 C ATOM 25 OG SER A1858 29.172 14.704 19.253 1.00 40.28 O ATOM 26 HG SER A1858 28.458 14.352 19.842 1.00 0.00 H ATOM 27 H SER A1858 31.104 16.638 17.433 1.00 0.00 H ATOM 28 N VAL A1859 30.057 15.239 14.582 1.00 37.35 N ATOM 29 CA VAL A1859 29.888 14.951 13.155 1.00 39.87 C ATOM 30 C VAL A1859 31.235 15.241 12.559 1.00 53.24 C ATOM 31 O VAL A1859 31.561 16.410 12.240 1.00 48.14 O ATOM 32 CB VAL A1859 28.820 15.829 12.445 1.00 45.46 C ATOM 33 CG1 VAL A1859 28.733 15.498 10.936 1.00 48.98 C ATOM 34 CG2 VAL A1859 27.475 15.644 13.088 1.00 48.15 C ATOM 35 H VAL A1859 30.451 16.162 14.856 1.00 0.00 H ATOM 36 N LYS A1860 32.003 14.159 12.424 1.00 52.45 N ATOM 37 CA LYS A1860 33.382 14.181 11.954 1.00 64.72 C ATOM 38 C LYS A1860 33.527 14.102 10.436 1.00 51.96 C ATOM 39 O LYS A1860 33.125 13.131 9.788 1.00 39.96 O ATOM 40 CB LYS A1860 34.168 13.013 12.578 1.00 57.66 C ATOM 41 CG LYS A1860 35.648 13.025 12.234 1.00 87.54 C ATOM 42 CD LYS A1860 36.378 11.818 12.790 1.00118.06 C ATOM 43 CE LYS A1860 37.771 11.713 12.192 1.00137.12 C ATOM 44 NZ LYS A1860 38.571 10.638 12.838 1.00170.60 N ATOM 45 HZ1 LYS A1860 38.666 10.841 13.854 1.00 0.00 H ATOM 46 HZ2 LYS A1860 38.090 9.725 12.709 1.00 0.00 H ATOM 47 HZ3 LYS A1860 39.514 10.599 12.401 1.00 0.00 H ATOM 48 H LYS A1860 31.590 13.237 12.671 1.00 0.00 H ATOM 49 N LYS A1861 34.191 15.098 9.895 1.00 46.95 N ATOM 50 CA LYS A1861 34.517 15.145 8.508 1.00 59.17 C ATOM 51 C LYS A1861 35.673 14.153 8.238 1.00 57.91 C ATOM 52 O LYS A1861 36.509 13.929 9.095 1.00 45.87 O ATOM 53 CB LYS A1861 34.922 16.581 8.180 1.00 65.36 C ATOM 54 CG LYS A1861 35.003 16.905 6.702 1.00 72.37 C ATOM 55 CD LYS A1861 35.275 18.394 6.488 1.00 77.48 C ATOM 56 CE LYS A1861 35.050 18.803 5.036 1.00 79.17 C ATOM 57 NZ LYS A1861 35.750 17.918 4.069 1.00 85.98 N ATOM 58 HZ1 LYS A1861 36.773 17.948 4.252 1.00 0.00 H ATOM 59 HZ2 LYS A1861 35.405 16.943 4.181 1.00 0.00 H ATOM 60 HZ3 LYS A1861 35.560 18.246 3.100 1.00 0.00 H ATOM 61 H LYS A1861 34.492 15.885 10.504 1.00 0.00 H ATOM 62 N PRO A1862 35.698 13.525 7.059 1.00 43.55 N ATOM 63 CA PRO A1862 36.882 12.745 6.748 1.00 55.44 C ATOM 64 C PRO A1862 38.073 13.680 6.559 1.00 61.69 C ATOM 65 O PRO A1862 37.903 14.809 6.087 1.00 54.99 O ATOM 66 CB PRO A1862 36.518 12.060 5.433 1.00 64.95 C ATOM 67 CG PRO A1862 35.029 12.000 5.455 1.00 53.79 C ATOM 68 CD PRO A1862 34.609 13.271 6.113 1.00 54.26 C ATOM 69 N LYS A1863 39.250 13.228 6.959 1.00 48.71 N ATOM 70 CA LYS A1863 40.485 14.047 6.886 1.00 76.12 C ATOM 71 C LYS A1863 41.642 13.242 6.300 1.00 53.03 C ATOM 72 O LYS A1863 41.839 12.081 6.649 1.00 49.82 O ATOM 73 CB LYS A1863 40.916 14.561 8.274 1.00 68.52 C ATOM 74 CG LYS A1863 39.771 14.969 9.186 1.00102.94 C ATOM 75 CD LYS A1863 40.251 15.794 10.375 1.00110.10 C ATOM 76 CE LYS A1863 39.097 16.141 11.317 1.00125.75 C ATOM 77 NZ LYS A1863 37.905 16.724 10.621 1.00 92.41 N ATOM 78 HZ1 LYS A1863 38.183 17.601 10.135 1.00 0.00 H ATOM 79 HZ2 LYS A1863 37.543 16.041 9.925 1.00 0.00 H ATOM 80 HZ3 LYS A1863 37.165 16.934 11.321 1.00 0.00 H ATOM 81 H LYS A1863 39.312 12.262 7.339 1.00 0.00 H ATOM 82 N ARG A1864 42.430 13.888 5.449 1.00 54.86 N ATOM 83 CA ARG A1864 43.620 13.270 4.916 1.00 60.90 C ATOM 84 C ARG A1864 44.573 12.801 6.022 1.00 48.70 C ATOM 85 O ARG A1864 44.586 13.325 7.143 1.00 51.08 O ATOM 86 CB ARG A1864 44.324 14.197 3.914 1.00 61.05 C ATOM 87 CG ARG A1864 44.846 15.493 4.496 1.00 48.22 C ATOM 88 CD ARG A1864 45.528 16.323 3.431 1.00 56.40 C ATOM 89 NE ARG A1864 46.833 15.768 3.066 1.00 48.31 N ATOM 90 CZ ARG A1864 47.943 15.886 3.798 1.00 45.66 C ATOM 91 NH1 ARG A1864 47.936 16.511 4.978 1.00 36.52 N ATOM 92 NH2 ARG A1864 49.062 15.347 3.364 1.00 46.37 N ATOM 93 HE ARG A1864 46.900 15.243 2.171 1.00 0.00 H ATOM 94 HH12 ARG A1864 48.814 16.590 5.530 1.00 0.00 H ATOM 95 HH11 ARG A1864 47.053 16.919 5.345 1.00 0.00 H ATOM 96 HH22 ARG A1864 49.933 15.433 3.926 1.00 0.00 H ATOM 97 HH21 ARG A1864 49.076 14.835 2.459 1.00 0.00 H ATOM 98 H ARG A1864 42.185 14.857 5.161 1.00 0.00 H ATOM 99 N ASP A1865 45.291 11.734 5.692 1.00 52.08 N ATOM 100 CA ASP A1865 46.392 11.199 6.466 1.00 54.20 C ATOM 101 C ASP A1865 47.588 12.186 6.428 1.00 39.57 C ATOM 102 O ASP A1865 48.191 12.394 5.390 1.00 39.52 O ATOM 103 CB ASP A1865 46.778 9.844 5.849 1.00 50.38 C ATOM 104 CG ASP A1865 47.997 9.224 6.475 1.00 54.07 C ATOM 105 OD1 ASP A1865 48.473 9.707 7.525 1.00 52.28 O ATOM 106 OD2 ASP A1865 48.475 8.225 5.904 1.00 62.60 O ATOM 107 H ASP A1865 45.043 11.244 4.809 1.00 0.00 H ATOM 108 N ASP A1866 47.910 12.786 7.568 1.00 39.06 N ATOM 109 CA ASP A1866 48.973 13.793 7.626 1.00 36.33 C ATOM 110 C ASP A1866 50.281 13.257 8.256 1.00 36.94 C ATOM 111 O ASP A1866 51.206 14.034 8.535 1.00 35.15 O ATOM 112 CB ASP A1866 48.469 15.027 8.392 1.00 48.23 C ATOM 113 CG ASP A1866 48.170 14.717 9.848 1.00 57.92 C ATOM 114 OD1 ASP A1866 48.213 13.532 10.192 1.00 50.56 O ATOM 115 OD2 ASP A1866 47.884 15.641 10.625 1.00 51.61 O ATOM 116 H ASP A1866 47.397 12.536 8.438 1.00 0.00 H ATOM 117 N SER A1867 50.365 11.935 8.454 1.00 33.99 N ATOM 118 CA SER A1867 51.426 11.315 9.244 1.00 39.47 C ATOM 119 C SER A1867 52.802 11.440 8.583 1.00 37.04 C ATOM 120 O SER A1867 53.810 11.447 9.261 1.00 45.25 O ATOM 121 CB SER A1867 51.104 9.826 9.482 1.00 41.95 C ATOM 122 OG SER A1867 50.860 9.183 8.221 1.00 50.01 O ATOM 123 HG SER A1867 50.093 9.620 7.772 1.00 0.00 H ATOM 124 H SER A1867 49.642 11.322 8.026 1.00 0.00 H ATOM 125 N LYS A1868 52.818 11.555 7.258 1.00 38.38 N ATOM 126 CA LYS A1868 54.059 11.698 6.483 1.00 42.95 C ATOM 127 C LYS A1868 54.445 13.170 6.198 1.00 41.11 C ATOM 128 O LYS A1868 55.491 13.436 5.599 1.00 41.74 O ATOM 129 CB LYS A1868 53.922 10.978 5.119 1.00 42.45 C ATOM 130 CG LYS A1868 54.299 9.496 5.111 1.00 66.56 C ATOM 131 CD LYS A1868 53.665 8.770 6.271 1.00 76.63 C ATOM 132 CE LYS A1868 53.545 7.274 6.028 1.00 92.22 C ATOM 133 NZ LYS A1868 52.721 6.691 7.120 1.00 66.26 N ATOM 134 HZ1 LYS A1868 53.183 6.869 8.034 1.00 0.00 H ATOM 135 HZ2 LYS A1868 51.779 7.131 7.115 1.00 0.00 H ATOM 136 HZ3 LYS A1868 52.627 5.666 6.972 1.00 0.00 H ATOM 137 H LYS A1868 51.912 11.543 6.747 1.00 0.00 H ATOM 138 N ASP A1869 53.605 14.113 6.594 1.00 38.77 N ATOM 139 CA ASP A1869 53.773 15.509 6.116 1.00 33.41 C ATOM 140 C ASP A1869 55.146 16.058 6.533 1.00 36.77 C ATOM 141 O ASP A1869 55.824 16.656 5.738 1.00 32.96 O ATOM 142 CB ASP A1869 52.661 16.399 6.657 1.00 28.79 C ATOM 143 CG ASP A1869 51.281 16.110 5.982 1.00 35.45 C ATOM 144 OD1 ASP A1869 51.215 15.240 5.093 1.00 32.46 O ATOM 145 OD2 ASP A1869 50.289 16.795 6.312 1.00 33.56 O ATOM 146 H ASP A1869 52.826 13.876 7.241 1.00 0.00 H ATOM 147 N LEU A1870 55.545 15.827 7.780 1.00 35.47 N ATOM 148 CA LEU A1870 56.843 16.329 8.285 1.00 39.66 C ATOM 149 C LEU A1870 58.062 15.857 7.476 1.00 38.41 C ATOM 150 O LEU A1870 58.904 16.675 7.022 1.00 35.79 O ATOM 151 CB LEU A1870 56.977 15.966 9.774 1.00 50.58 C ATOM 152 CG LEU A1870 58.187 16.441 10.594 1.00 51.23 C ATOM 153 CD1 LEU A1870 58.485 17.927 10.468 1.00 41.01 C ATOM 154 CD2 LEU A1870 57.952 16.080 12.063 1.00 63.53 C ATOM 155 H LEU A1870 54.930 15.280 8.416 1.00 0.00 H ATOM 156 N ALA A1871 58.173 14.547 7.297 1.00 36.99 N ATOM 157 CA ALA A1871 59.153 13.970 6.389 1.00 40.98 C ATOM 158 C ALA A1871 59.078 14.517 4.966 1.00 36.46 C ATOM 159 O ALA A1871 60.099 14.788 4.336 1.00 34.32 O ATOM 160 CB ALA A1871 59.015 12.439 6.367 1.00 45.94 C ATOM 161 H ALA A1871 57.539 13.912 7.823 1.00 0.00 H ATOM 162 N LEU A1872 57.888 14.654 4.416 1.00 33.15 N ATOM 163 CA LEU A1872 57.794 15.083 3.058 1.00 34.28 C ATOM 164 C LEU A1872 58.192 16.570 2.907 1.00 35.17 C ATOM 165 O LEU A1872 58.821 16.934 1.946 1.00 30.66 O ATOM 166 CB LEU A1872 56.384 14.840 2.494 1.00 40.10 C ATOM 167 CG LEU A1872 56.000 13.355 2.302 1.00 45.45 C ATOM 168 CD1 LEU A1872 54.509 13.212 2.019 1.00 44.03 C ATOM 169 CD2 LEU A1872 56.838 12.702 1.204 1.00 41.56 C ATOM 170 H LEU A1872 57.028 14.452 4.965 1.00 0.00 H ATOM 171 N CYS A1873 57.782 17.415 3.838 1.00 29.69 N ATOM 172 CA CYS A1873 58.189 18.849 3.814 1.00 28.19 C ATOM 173 C CYS A1873 59.703 19.003 4.020 1.00 32.51 C ATOM 174 O CYS A1873 60.341 19.851 3.381 1.00 28.31 O ATOM 175 CB CYS A1873 57.472 19.638 4.894 1.00 29.81 C ATOM 176 SG CYS A1873 55.713 19.945 4.611 1.00 29.82 S ATOM 177 H CYS A1873 57.164 17.073 4.601 1.00 0.00 H ATOM 178 N SER A1874 60.265 18.181 4.920 1.00 30.32 N ATOM 179 CA SER A1874 61.715 18.158 5.150 1.00 32.13 C ATOM 180 C SER A1874 62.499 17.811 3.856 1.00 32.04 C ATOM 181 O SER A1874 63.513 18.410 3.552 1.00 33.95 O ATOM 182 CB SER A1874 62.056 17.138 6.262 1.00 38.18 C ATOM 183 OG SER A1874 63.456 17.047 6.406 1.00 42.39 O ATOM 184 HG SER A1874 63.856 16.749 5.551 1.00 0.00 H ATOM 185 H SER A1874 59.656 17.542 5.470 1.00 0.00 H ATOM 186 N MET A1875 61.999 16.814 3.131 1.00 35.20 N ATOM 187 CA MET A1875 62.570 16.404 1.848 1.00 37.57 C ATOM 188 C MET A1875 62.426 17.498 0.807 1.00 37.87 C ATOM 189 O MET A1875 63.351 17.766 0.083 1.00 34.15 O ATOM 190 CB MET A1875 61.901 15.118 1.345 1.00 42.87 C ATOM 191 CG MET A1875 62.334 14.661 -0.047 1.00 56.79 C ATOM 192 SD MET A1875 61.817 12.954 -0.382 1.00 78.25 S ATOM 193 CE MET A1875 62.934 12.531 -1.720 1.00 71.85 C ATOM 194 H MET A1875 61.167 16.305 3.491 1.00 0.00 H ATOM 195 N ILE A1876 61.264 18.139 0.742 1.00 35.29 N ATOM 196 CA ILE A1876 61.126 19.297 -0.172 1.00 35.72 C ATOM 197 C ILE A1876 62.132 20.412 0.167 1.00 32.61 C ATOM 198 O ILE A1876 62.836 20.933 -0.720 1.00 28.97 O ATOM 199 CB ILE A1876 59.689 19.837 -0.213 1.00 33.21 C ATOM 200 CG1 ILE A1876 58.765 18.756 -0.797 1.00 37.11 C ATOM 201 CG2 ILE A1876 59.627 21.093 -1.074 1.00 34.77 C ATOM 202 CD1 ILE A1876 57.282 19.067 -0.654 1.00 43.62 C ATOM 203 H ILE A1876 60.460 17.831 1.326 1.00 0.00 H ATOM 204 N LEU A1877 62.261 20.731 1.445 1.00 29.58 N ATOM 205 CA LEU A1877 63.168 21.775 1.866 1.00 32.62 C ATOM 206 C LEU A1877 64.619 21.432 1.527 1.00 33.36 C ATOM 207 O LEU A1877 65.354 22.277 1.061 1.00 28.03 O ATOM 208 CB LEU A1877 63.024 22.045 3.382 1.00 29.74 C ATOM 209 CG LEU A1877 63.796 23.234 3.909 1.00 25.03 C ATOM 210 CD1 LEU A1877 63.512 24.510 3.146 1.00 28.70 C ATOM 211 CD2 LEU A1877 63.456 23.394 5.370 1.00 27.77 C ATOM 212 H LEU A1877 61.701 20.222 2.158 1.00 0.00 H ATOM 213 N THR A1878 65.002 20.177 1.707 1.00 27.97 N ATOM 214 CA THR A1878 66.349 19.744 1.367 1.00 30.14 C ATOM 215 C THR A1878 66.592 19.943 -0.122 1.00 31.34 C ATOM 216 O THR A1878 67.634 20.404 -0.500 1.00 34.39 O ATOM 217 CB THR A1878 66.572 18.286 1.756 1.00 33.76 C ATOM 218 OG1 THR A1878 66.450 18.180 3.184 1.00 32.88 O ATOM 219 CG2 THR A1878 67.967 17.769 1.261 1.00 42.16 C ATOM 220 HG1 THR A1878 65.545 18.472 3.459 1.00 0.00 H ATOM 221 H THR A1878 64.328 19.489 2.098 1.00 0.00 H ATOM 222 N GLU A1879 65.602 19.646 -0.949 1.00 28.75 N ATOM 223 CA GLU A1879 65.740 19.842 -2.413 1.00 29.77 C ATOM 224 C GLU A1879 65.869 21.315 -2.777 1.00 41.86 C ATOM 225 O GLU A1879 66.649 21.698 -3.656 1.00 35.84 O ATOM 226 CB GLU A1879 64.552 19.167 -3.130 1.00 28.72 C ATOM 227 CG GLU A1879 64.648 17.632 -2.950 1.00 39.88 C ATOM 228 CD GLU A1879 63.420 16.844 -3.412 1.00 55.28 C ATOM 229 OE1 GLU A1879 62.409 17.464 -3.786 1.00 45.77 O ATOM 230 OE2 GLU A1879 63.460 15.591 -3.359 1.00 72.24 O ATOM 231 H GLU A1879 64.712 19.269 -0.566 1.00 0.00 H ATOM 232 N MET A1880 65.184 22.161 -2.021 1.00 29.89 N ATOM 233 CA MET A1880 65.310 23.614 -2.220 1.00 31.13 C ATOM 234 C MET A1880 66.700 24.081 -1.820 1.00 30.92 C ATOM 235 O MET A1880 67.320 24.791 -2.560 1.00 29.97 O ATOM 236 CB MET A1880 64.300 24.313 -1.362 1.00 33.32 C ATOM 237 CG MET A1880 62.968 23.662 -1.444 1.00 55.89 C ATOM 238 SD MET A1880 62.248 24.437 -2.816 1.00 52.48 S ATOM 239 CE MET A1880 61.525 25.650 -1.803 1.00 22.69 C ATOM 240 H MET A1880 64.552 21.795 -1.281 1.00 0.00 H ATOM 241 N GLU A1881 67.150 23.661 -0.633 1.00 30.64 N ATOM 242 CA GLU A1881 68.450 24.072 -0.075 1.00 32.17 C ATOM 243 C GLU A1881 69.632 23.689 -0.984 1.00 31.32 C ATOM 244 O GLU A1881 70.651 24.403 -1.005 1.00 33.45 O ATOM 245 CB GLU A1881 68.669 23.442 1.310 1.00 32.94 C ATOM 246 CG GLU A1881 67.801 23.984 2.452 1.00 31.17 C ATOM 247 CD GLU A1881 67.817 23.082 3.681 1.00 33.97 C ATOM 248 OE1 GLU A1881 68.075 21.843 3.569 1.00 39.11 O ATOM 249 OE2 GLU A1881 67.495 23.561 4.763 1.00 41.08 O ATOM 250 H GLU A1881 66.554 23.014 -0.078 1.00 0.00 H ATOM 251 N THR A1882 69.480 22.616 -1.761 1.00 32.74 N ATOM 252 CA THR A1882 70.565 22.119 -2.652 1.00 40.44 C ATOM 253 C THR A1882 70.428 22.549 -4.152 1.00 38.90 C ATOM 254 O THR A1882 71.302 22.287 -4.934 1.00 37.99 O ATOM 255 CB THR A1882 70.698 20.564 -2.568 1.00 44.24 C ATOM 256 OG1 THR A1882 69.463 19.959 -2.927 1.00 39.62 O ATOM 257 CG2 THR A1882 71.046 20.111 -1.154 1.00 48.25 C ATOM 258 HG1 THR A1882 68.755 20.263 -2.305 1.00 0.00 H ATOM 259 H THR A1882 68.572 22.109 -1.744 1.00 0.00 H ATOM 260 N HIS A1883 69.369 23.255 -4.511 1.00 36.16 N ATOM 261 CA HIS A1883 69.214 23.858 -5.867 1.00 38.27 C ATOM 262 C HIS A1883 70.289 24.944 -6.077 1.00 39.65 C ATOM 263 O HIS A1883 70.600 25.683 -5.187 1.00 35.38 O ATOM 264 CB HIS A1883 67.821 24.470 -5.971 1.00 37.80 C ATOM 265 CG HIS A1883 67.358 24.787 -7.368 1.00 39.66 C ATOM 266 ND1 HIS A1883 67.966 25.727 -8.170 1.00 40.48 N ATOM 267 CD2 HIS A1883 66.252 24.386 -8.042 1.00 42.65 C ATOM 268 CE1 HIS A1883 67.289 25.860 -9.294 1.00 42.19 C ATOM 269 NE2 HIS A1883 66.235 25.063 -9.237 1.00 45.23 N ATOM 270 H HIS A1883 68.609 23.397 -3.816 1.00 0.00 H ATOM 271 N GLU A1884 70.842 24.991 -7.278 1.00 38.56 N ATOM 272 CA GLU A1884 71.885 25.907 -7.662 1.00 38.79 C ATOM 273 C GLU A1884 71.496 27.355 -7.468 1.00 35.04 C ATOM 274 O GLU A1884 72.330 28.202 -7.138 1.00 35.53 O ATOM 275 CB GLU A1884 72.199 25.626 -9.178 1.00 42.64 C ATOM 276 CG GLU A1884 73.422 26.272 -9.766 1.00 74.54 C ATOM 277 CD GLU A1884 73.332 26.361 -11.291 1.00 54.83 C ATOM 278 OE1 GLU A1884 72.894 25.393 -11.968 1.00 48.64 O ATOM 279 OE2 GLU A1884 73.656 27.427 -11.787 1.00 52.79 O ATOM 280 H GLU A1884 70.500 24.320 -7.995 1.00 0.00 H ATOM 281 N ASP A1885 70.220 27.650 -7.655 1.00 29.70 N ATOM 282 CA ASP A1885 69.712 29.002 -7.526 1.00 31.99 C ATOM 283 C ASP A1885 69.199 29.341 -6.088 1.00 30.33 C ATOM 284 O ASP A1885 68.525 30.331 -5.900 1.00 32.11 O ATOM 285 CB ASP A1885 68.591 29.221 -8.519 1.00 30.75 C ATOM 286 CG ASP A1885 69.072 29.161 -10.006 1.00 36.72 C ATOM 287 OD1 ASP A1885 70.300 29.296 -10.322 1.00 34.66 O ATOM 288 OD2 ASP A1885 68.183 28.994 -10.830 1.00 34.21 O ATOM 289 H ASP A1885 69.559 26.886 -7.903 1.00 0.00 H ATOM 290 N ALA A1886 69.542 28.522 -5.108 1.00 31.63 N ATOM 291 CA ALA A1886 69.078 28.760 -3.693 1.00 30.64 C ATOM 292 C ALA A1886 69.925 29.796 -2.949 1.00 34.89 C ATOM 293 O ALA A1886 69.532 30.264 -1.912 1.00 29.45 O ATOM 294 CB ALA A1886 69.058 27.473 -2.939 1.00 29.26 C ATOM 295 H ALA A1886 70.143 27.699 -5.317 1.00 0.00 H ATOM 296 N TRP A1887 71.051 30.199 -3.539 1.00 30.12 N ATOM 297 CA TRP A1887 72.045 31.021 -2.851 1.00 29.22 C ATOM 298 C TRP A1887 71.533 32.320 -2.230 1.00 26.50 C ATOM 299 O TRP A1887 72.045 32.713 -1.164 1.00 32.77 O ATOM 300 CB TRP A1887 73.299 31.257 -3.722 1.00 33.76 C ATOM 301 CG TRP A1887 73.004 31.926 -5.037 1.00 30.32 C ATOM 302 CD1 TRP A1887 72.777 31.299 -6.233 1.00 31.71 C ATOM 303 CD2 TRP A1887 72.861 33.339 -5.288 1.00 31.54 C ATOM 304 NE1 TRP A1887 72.516 32.220 -7.200 1.00 30.73 N ATOM 305 CE2 TRP A1887 72.546 33.483 -6.656 1.00 29.56 C ATOM 306 CE3 TRP A1887 72.944 34.489 -4.487 1.00 29.96 C ATOM 307 CZ2 TRP A1887 72.314 34.728 -7.247 1.00 28.77 C ATOM 308 CZ3 TRP A1887 72.755 35.729 -5.071 1.00 31.42 C ATOM 309 CH2 TRP A1887 72.430 35.839 -6.457 1.00 33.27 C ATOM 310 HE1 TRP A1887 72.323 32.002 -8.198 1.00 0.00 H ATOM 311 H TRP A1887 71.228 29.918 -4.525 1.00 0.00 H ATOM 312 N PRO A1888 70.513 32.972 -2.825 1.00 29.55 N ATOM 313 CA PRO A1888 70.054 34.174 -2.123 1.00 27.13 C ATOM 314 C PRO A1888 69.300 33.889 -0.821 1.00 30.17 C ATOM 315 O PRO A1888 68.999 34.838 -0.102 1.00 26.56 O ATOM 316 CB PRO A1888 69.069 34.814 -3.102 1.00 26.11 C ATOM 317 CG PRO A1888 69.425 34.241 -4.476 1.00 28.42 C ATOM 318 CD PRO A1888 69.843 32.828 -4.160 1.00 32.83 C ATOM 319 N PHE A1889 68.874 32.621 -0.616 1.00 26.73 N ATOM 320 CA PHE A1889 67.777 32.253 0.333 1.00 25.36 C ATOM 321 C PHE A1889 68.232 31.334 1.469 1.00 21.72 C ATOM 322 O PHE A1889 67.443 30.923 2.289 1.00 29.75 O ATOM 323 CB PHE A1889 66.616 31.598 -0.420 1.00 25.07 C ATOM 324 CG PHE A1889 66.194 32.370 -1.638 1.00 27.43 C ATOM 325 CD1 PHE A1889 65.652 33.652 -1.509 1.00 25.95 C ATOM 326 CD2 PHE A1889 66.367 31.845 -2.907 1.00 31.23 C ATOM 327 CE1 PHE A1889 65.317 34.397 -2.645 1.00 26.03 C ATOM 328 CE2 PHE A1889 66.022 32.575 -4.031 1.00 28.50 C ATOM 329 CZ PHE A1889 65.477 33.841 -3.905 1.00 28.11 C ATOM 330 H PHE A1889 69.336 31.857 -1.149 1.00 0.00 H ATOM 331 N LEU A1890 69.521 31.040 1.514 1.00 28.39 N ATOM 332 CA LEU A1890 70.066 30.126 2.476 1.00 30.31 C ATOM 333 C LEU A1890 70.130 30.701 3.896 1.00 31.72 C ATOM 334 O LEU A1890 69.951 29.972 4.830 1.00 36.97 O ATOM 335 CB LEU A1890 71.442 29.652 2.042 1.00 34.51 C ATOM 336 CG LEU A1890 71.448 28.876 0.695 1.00 30.73 C ATOM 337 CD1 LEU A1890 72.872 28.397 0.409 1.00 41.47 C ATOM 338 CD2 LEU A1890 70.476 27.702 0.726 1.00 35.78 C ATOM 339 H LEU A1890 70.162 31.487 0.828 1.00 0.00 H ATOM 340 N LEU A1891 70.355 32.016 4.016 1.00 30.62 N ATOM 341 CA LEU A1891 70.451 32.708 5.317 1.00 29.21 C ATOM 342 C LEU A1891 69.532 33.901 5.311 1.00 30.31 C ATOM 343 O LEU A1891 69.124 34.393 4.224 1.00 29.97 O ATOM 344 CB LEU A1891 71.883 33.233 5.579 1.00 33.37 C ATOM 345 CG LEU A1891 72.962 32.171 5.621 1.00 35.59 C ATOM 346 CD1 LEU A1891 74.339 32.863 5.672 1.00 46.27 C ATOM 347 CD2 LEU A1891 72.707 31.271 6.832 1.00 42.07 C ATOM 348 H LEU A1891 70.468 32.578 3.149 1.00 0.00 H ATOM 349 N PRO A1892 69.234 34.440 6.509 1.00 30.49 N ATOM 350 CA PRO A1892 68.451 35.655 6.534 1.00 29.32 C ATOM 351 C PRO A1892 69.139 36.781 5.801 1.00 36.49 C ATOM 352 O PRO A1892 70.361 36.823 5.752 1.00 35.94 O ATOM 353 CB PRO A1892 68.370 36.004 8.031 1.00 32.95 C ATOM 354 CG PRO A1892 68.724 34.764 8.756 1.00 34.97 C ATOM 355 CD PRO A1892 69.642 34.013 7.867 1.00 37.65 C ATOM 356 N VAL A1893 68.354 37.640 5.172 1.00 33.04 N ATOM 357 CA VAL A1893 68.936 38.777 4.468 1.00 38.20 C ATOM 358 C VAL A1893 69.611 39.635 5.509 1.00 39.22 C ATOM 359 O VAL A1893 69.060 39.893 6.589 1.00 36.10 O ATOM 360 CB VAL A1893 67.898 39.595 3.739 1.00 30.92 C ATOM 361 CG1 VAL A1893 68.501 40.935 3.208 1.00 42.20 C ATOM 362 CG2 VAL A1893 67.267 38.766 2.640 1.00 41.57 C ATOM 363 H VAL A1893 67.323 37.505 5.179 1.00 0.00 H ATOM 364 N ASN A1894 70.836 40.013 5.210 1.00 39.12 N ATOM 365 CA ASN A1894 71.653 40.670 6.192 1.00 46.42 C ATOM 366 C ASN A1894 71.156 42.094 6.481 1.00 44.52 C ATOM 367 O ASN A1894 71.347 43.013 5.663 1.00 45.09 O ATOM 368 CB ASN A1894 73.075 40.674 5.693 1.00 44.12 C ATOM 369 CG ASN A1894 74.045 41.223 6.723 1.00 54.98 C ATOM 370 OD1 ASN A1894 73.688 42.055 7.566 1.00 56.60 O ATOM 371 ND2 ASN A1894 75.276 40.745 6.666 1.00 67.36 N ATOM 372 HD22 ASN A1894 75.529 40.046 5.939 1.00 0.00 H ATOM 373 HD21 ASN A1894 75.991 41.068 7.349 1.00 0.00 H ATOM 374 H ASN A1894 71.214 39.835 4.258 1.00 0.00 H ATOM 375 N LEU A1895 70.494 42.269 7.621 1.00 42.19 N ATOM 376 CA LEU A1895 69.804 43.538 7.896 1.00 53.27 C ATOM 377 C LEU A1895 70.749 44.713 8.138 1.00 77.02 C ATOM 378 O LEU A1895 70.340 45.884 8.037 1.00 67.46 O ATOM 379 CB LEU A1895 68.857 43.396 9.089 1.00 62.09 C ATOM 380 CG LEU A1895 67.642 42.467 8.950 1.00 58.60 C ATOM 381 CD1 LEU A1895 66.734 42.669 10.155 1.00 60.03 C ATOM 382 CD2 LEU A1895 66.859 42.680 7.657 1.00 55.60 C ATOM 383 H LEU A1895 70.464 41.503 8.323 1.00 0.00 H ATOM 384 N LYS A1896 71.999 44.406 8.473 1.00 66.61 N ATOM 385 CA LYS A1896 72.995 45.437 8.721 1.00 74.46 C ATOM 386 C LYS A1896 73.506 45.996 7.416 1.00 68.34 C ATOM 387 O LYS A1896 73.746 47.193 7.307 1.00 66.29 O ATOM 388 CB LYS A1896 74.166 44.867 9.533 1.00 89.15 C ATOM 389 CG LYS A1896 73.766 44.290 10.885 1.00104.75 C ATOM 390 CD LYS A1896 72.978 45.290 11.723 1.00113.08 C ATOM 391 CE LYS A1896 72.764 44.786 13.143 1.00136.23 C ATOM 392 NZ LYS A1896 74.022 44.745 13.944 1.00123.43 N ATOM 393 HZ1 LYS A1896 74.705 44.110 13.483 1.00 0.00 H ATOM 394 HZ2 LYS A1896 74.424 45.702 14.006 1.00 0.00 H ATOM 395 HZ3 LYS A1896 73.812 44.394 14.900 1.00 0.00 H ATOM 396 H LYS A1896 72.271 43.406 8.560 1.00 0.00 H ATOM 397 N LEU A1897 73.628 45.125 6.418 1.00 52.52 N ATOM 398 CA LEU A1897 74.314 45.446 5.184 1.00 52.06 C ATOM 399 C LEU A1897 73.376 45.820 4.060 1.00 60.78 C ATOM 400 O LEU A1897 73.828 46.295 3.024 1.00 69.71 O ATOM 401 CB LEU A1897 75.175 44.253 4.729 1.00 61.89 C ATOM 402 CG LEU A1897 76.561 44.122 5.366 1.00 91.68 C ATOM 403 CD1 LEU A1897 76.489 44.089 6.894 1.00 78.36 C ATOM 404 CD2 LEU A1897 77.262 42.886 4.806 1.00 89.90 C ATOM 405 H LEU A1897 73.215 44.177 6.528 1.00 0.00 H ATOM 406 N VAL A1898 72.077 45.582 4.239 1.00 53.24 N ATOM 407 CA VAL A1898 71.132 45.745 3.138 1.00 48.51 C ATOM 408 C VAL A1898 70.147 46.857 3.482 1.00 45.92 C ATOM 409 O VAL A1898 69.226 46.654 4.304 1.00 59.53 O ATOM 410 CB VAL A1898 70.380 44.423 2.784 1.00 47.66 C ATOM 411 CG1 VAL A1898 69.508 44.624 1.556 1.00 53.15 C ATOM 412 CG2 VAL A1898 71.370 43.280 2.546 1.00 44.29 C ATOM 413 H VAL A1898 71.733 45.277 5.172 1.00 0.00 H ATOM 414 N PRO A1899 70.371 48.067 2.902 1.00 66.76 N ATOM 415 CA PRO A1899 69.504 49.209 3.216 1.00 68.29 C ATOM 416 C PRO A1899 68.121 49.018 2.628 1.00 48.57 C ATOM 417 O PRO A1899 67.990 48.519 1.490 1.00 54.02 O ATOM 418 CB PRO A1899 70.219 50.403 2.541 1.00 74.14 C ATOM 419 CG PRO A1899 70.994 49.786 1.430 1.00 66.22 C ATOM 420 CD PRO A1899 71.433 48.436 1.938 1.00 62.17 C ATOM 421 N GLY A1900 67.113 49.428 3.386 1.00 42.65 N ATOM 422 CA GLY A1900 65.702 49.270 2.984 1.00 53.43 C ATOM 423 C GLY A1900 65.058 48.075 3.666 1.00 58.58 C ATOM 424 O GLY A1900 63.877 48.131 4.072 1.00 55.60 O ATOM 425 H GLY A1900 67.325 49.878 4.299 1.00 0.00 H ATOM 426 N TYR A1901 65.839 47.002 3.835 1.00 53.21 N ATOM 427 CA TYR A1901 65.232 45.657 4.005 1.00 48.12 C ATOM 428 C TYR A1901 64.358 45.571 5.218 1.00 37.84 C ATOM 429 O TYR A1901 63.150 45.281 5.129 1.00 37.19 O ATOM 430 CB TYR A1901 66.278 44.518 4.026 1.00 56.27 C ATOM 431 CG TYR A1901 65.606 43.232 3.581 1.00 46.72 C ATOM 432 CD1 TYR A1901 65.015 42.374 4.510 1.00 39.76 C ATOM 433 CD2 TYR A1901 65.439 42.962 2.231 1.00 40.18 C ATOM 434 CE1 TYR A1901 64.339 41.202 4.095 1.00 38.94 C ATOM 435 CE2 TYR A1901 64.761 41.813 1.783 1.00 41.80 C ATOM 436 CZ TYR A1901 64.209 40.936 2.709 1.00 33.98 C ATOM 437 OH TYR A1901 63.524 39.799 2.263 1.00 33.00 O ATOM 438 HH TYR A1901 63.196 39.285 3.043 1.00 0.00 H ATOM 439 H TYR A1901 66.873 47.110 3.847 1.00 0.00 H ATOM 440 N LYS A1902 64.940 45.937 6.349 1.00 53.54 N ATOM 441 CA LYS A1902 64.256 45.898 7.633 1.00 55.62 C ATOM 442 C LYS A1902 62.903 46.640 7.632 1.00 50.85 C ATOM 443 O LYS A1902 61.885 46.126 8.126 1.00 45.72 O ATOM 444 CB LYS A1902 65.185 46.525 8.698 1.00 60.89 C ATOM 445 CG LYS A1902 64.806 46.234 10.140 1.00 69.52 C ATOM 446 CD LYS A1902 65.999 46.416 11.081 1.00 82.55 C ATOM 447 CE LYS A1902 65.566 46.863 12.469 1.00100.03 C ATOM 448 NZ LYS A1902 64.630 45.888 13.090 1.00 95.16 N ATOM 449 HZ1 LYS A1902 63.782 45.795 12.495 1.00 0.00 H ATOM 450 HZ2 LYS A1902 65.099 44.964 13.173 1.00 0.00 H ATOM 451 HZ3 LYS A1902 64.356 46.226 14.035 1.00 0.00 H ATOM 452 H LYS A1902 65.926 46.266 6.319 1.00 0.00 H ATOM 453 N LYS A1903 62.927 47.872 7.122 1.00 44.04 N ATOM 454 CA LYS A1903 61.774 48.756 7.138 1.00 45.33 C ATOM 455 C LYS A1903 60.719 48.275 6.159 1.00 42.84 C ATOM 456 O LYS A1903 59.530 48.299 6.442 1.00 41.80 O ATOM 457 CB LYS A1903 62.242 50.188 6.751 1.00 49.14 C ATOM 458 CG LYS A1903 61.144 51.248 6.696 1.00 47.92 C ATOM 459 CD LYS A1903 60.310 51.260 7.964 1.00 52.31 C ATOM 460 CE LYS A1903 59.188 52.288 7.906 1.00 47.86 C ATOM 461 NZ LYS A1903 59.691 53.591 8.380 1.00 54.01 N ATOM 462 HZ1 LYS A1903 60.025 53.496 9.360 1.00 0.00 H ATOM 463 HZ2 LYS A1903 60.477 53.900 7.773 1.00 0.00 H ATOM 464 HZ3 LYS A1903 58.924 54.293 8.340 1.00 0.00 H ATOM 465 H LYS A1903 63.810 48.215 6.694 1.00 0.00 H ATOM 466 N VAL A1904 61.169 47.884 4.971 1.00 36.28 N ATOM 467 CA VAL A1904 60.287 47.512 3.888 1.00 41.48 C ATOM 468 C VAL A1904 59.714 46.089 4.032 1.00 44.99 C ATOM 469 O VAL A1904 58.535 45.832 3.710 1.00 41.25 O ATOM 470 CB VAL A1904 61.047 47.618 2.540 1.00 44.49 C ATOM 471 CG1 VAL A1904 60.195 47.063 1.395 1.00 50.58 C ATOM 472 CG2 VAL A1904 61.449 49.072 2.263 1.00 45.70 C ATOM 473 H VAL A1904 62.196 47.844 4.815 1.00 0.00 H ATOM 474 N ILE A1905 60.539 45.154 4.484 1.00 39.85 N ATOM 475 CA ILE A1905 60.088 43.717 4.544 1.00 37.72 C ATOM 476 C ILE A1905 59.710 43.382 5.972 1.00 33.82 C ATOM 477 O ILE A1905 60.565 43.187 6.821 1.00 39.97 O ATOM 478 CB ILE A1905 61.159 42.755 3.995 1.00 34.79 C ATOM 479 CG1 ILE A1905 61.460 43.092 2.522 1.00 37.69 C ATOM 480 CG2 ILE A1905 60.680 41.276 4.129 1.00 37.11 C ATOM 481 CD1 ILE A1905 60.290 42.929 1.563 1.00 38.67 C ATOM 482 H ILE A1905 61.497 45.412 4.797 1.00 0.00 H ATOM 483 N LYS A1906 58.410 43.395 6.225 1.00 34.39 N ATOM 484 CA LYS A1906 57.871 43.249 7.586 1.00 46.82 C ATOM 485 C LYS A1906 58.137 41.889 8.176 1.00 50.09 C ATOM 486 O LYS A1906 58.323 41.766 9.384 1.00 38.10 O ATOM 487 CB LYS A1906 56.344 43.461 7.598 1.00 47.16 C ATOM 488 CG LYS A1906 55.883 44.819 7.061 1.00 63.72 C ATOM 489 CD LYS A1906 56.283 45.936 7.998 1.00 70.45 C ATOM 490 CE LYS A1906 57.642 46.510 7.668 1.00 77.28 C ATOM 491 NZ LYS A1906 57.791 47.854 8.295 1.00 92.63 N ATOM 492 HZ1 LYS A1906 57.052 48.489 7.931 1.00 0.00 H ATOM 493 HZ2 LYS A1906 57.696 47.766 9.327 1.00 0.00 H ATOM 494 HZ3 LYS A1906 58.728 48.241 8.063 1.00 0.00 H ATOM 495 H LYS A1906 57.746 43.513 5.433 1.00 0.00 H ATOM 496 N LYS A1907 58.074 40.851 7.347 1.00 37.67 N ATOM 497 CA LYS A1907 58.292 39.494 7.856 1.00 29.43 C ATOM 498 C LYS A1907 59.347 38.789 7.033 1.00 34.39 C ATOM 499 O LYS A1907 59.030 38.077 6.106 1.00 31.85 O ATOM 500 CB LYS A1907 56.999 38.731 7.820 1.00 36.77 C ATOM 501 CG LYS A1907 55.913 39.425 8.639 1.00 55.10 C ATOM 502 CD LYS A1907 54.615 38.656 8.597 1.00 78.26 C ATOM 503 CE LYS A1907 54.697 37.378 9.423 1.00 98.76 C ATOM 504 NZ LYS A1907 53.903 36.286 8.800 1.00 87.65 N ATOM 505 HZ1 LYS A1907 52.907 36.577 8.735 1.00 0.00 H ATOM 506 HZ2 LYS A1907 54.272 36.091 7.847 1.00 0.00 H ATOM 507 HZ3 LYS A1907 53.977 35.429 9.384 1.00 0.00 H ATOM 508 H LYS A1907 57.870 41.002 6.338 1.00 0.00 H ATOM 509 N PRO A1908 60.608 38.993 7.385 1.00 38.57 N ATOM 510 CA PRO A1908 61.684 38.333 6.675 1.00 29.96 C ATOM 511 C PRO A1908 61.584 36.802 6.844 1.00 36.43 C ATOM 512 O PRO A1908 61.162 36.307 7.875 1.00 27.17 O ATOM 513 CB PRO A1908 62.938 38.910 7.340 1.00 34.25 C ATOM 514 CG PRO A1908 62.501 40.262 7.840 1.00 42.85 C ATOM 515 CD PRO A1908 61.102 40.026 8.315 1.00 46.19 C ATOM 516 N MET A1909 61.924 36.057 5.812 1.00 29.00 N ATOM 517 CA MET A1909 61.989 34.602 5.950 1.00 27.05 C ATOM 518 C MET A1909 63.045 34.074 5.005 1.00 26.48 C ATOM 519 O MET A1909 63.352 34.740 3.985 1.00 26.80 O ATOM 520 CB MET A1909 60.599 34.003 5.689 1.00 25.85 C ATOM 521 CG MET A1909 60.468 32.512 5.984 1.00 25.20 C ATOM 522 SD MET A1909 61.012 31.975 7.643 1.00 28.47 S ATOM 523 CE MET A1909 59.940 33.055 8.630 1.00 32.94 C ATOM 524 H MET A1909 62.146 36.503 4.899 1.00 0.00 H ATOM 525 N ASP A1910 63.679 32.954 5.386 1.00 23.64 N ATOM 526 CA ASP A1910 64.720 32.311 4.581 1.00 22.27 C ATOM 527 C ASP A1910 64.718 30.827 4.864 1.00 23.71 C ATOM 528 O ASP A1910 64.066 30.372 5.835 1.00 26.12 O ATOM 529 CB ASP A1910 66.093 32.899 4.865 1.00 24.60 C ATOM 530 CG ASP A1910 66.605 32.473 6.203 1.00 31.40 C ATOM 531 OD1 ASP A1910 67.476 31.620 6.231 1.00 31.02 O ATOM 532 OD2 ASP A1910 66.069 32.952 7.214 1.00 31.13 O ATOM 533 H ASP A1910 63.419 32.522 6.296 1.00 0.00 H ATOM 534 N PHE A1911 65.471 30.053 4.061 1.00 23.49 N ATOM 535 CA PHE A1911 65.420 28.564 4.204 1.00 24.60 C ATOM 536 C PHE A1911 65.982 28.081 5.545 1.00 26.30 C ATOM 537 O PHE A1911 65.496 27.108 6.057 1.00 24.19 O ATOM 538 CB PHE A1911 66.177 27.838 3.085 1.00 28.50 C ATOM 539 CG PHE A1911 65.596 28.044 1.683 1.00 24.58 C ATOM 540 CD1 PHE A1911 64.296 28.582 1.482 1.00 29.12 C ATOM 541 CD2 PHE A1911 66.307 27.660 0.595 1.00 23.27 C ATOM 542 CE1 PHE A1911 63.791 28.766 0.210 1.00 33.08 C ATOM 543 CE2 PHE A1911 65.804 27.844 -0.701 1.00 26.47 C ATOM 544 CZ PHE A1911 64.538 28.388 -0.881 1.00 29.04 C ATOM 545 H PHE A1911 66.086 30.488 3.344 1.00 0.00 H ATOM 546 N SER A1912 67.036 28.708 6.070 1.00 29.60 N ATOM 547 CA SER A1912 67.581 28.284 7.382 1.00 30.94 C ATOM 548 C SER A1912 66.593 28.465 8.523 1.00 29.82 C ATOM 549 O SER A1912 66.559 27.647 9.466 1.00 29.85 O ATOM 550 CB SER A1912 68.908 28.992 7.732 1.00 32.51 C ATOM 551 OG SER A1912 68.738 30.377 8.029 1.00 30.94 O ATOM 552 HG SER A1912 68.349 30.837 7.243 1.00 0.00 H ATOM 553 H SER A1912 67.477 29.498 5.557 1.00 0.00 H ATOM 554 N THR A1913 65.790 29.516 8.442 1.00 25.38 N ATOM 555 CA THR A1913 64.838 29.831 9.477 1.00 30.14 C ATOM 556 C THR A1913 63.702 28.886 9.355 1.00 31.88 C ATOM 557 O THR A1913 63.194 28.406 10.372 1.00 29.54 O ATOM 558 CB THR A1913 64.344 31.281 9.410 1.00 29.17 C ATOM 559 OG1 THR A1913 65.455 32.149 9.539 1.00 25.71 O ATOM 560 CG2 THR A1913 63.292 31.561 10.508 1.00 32.51 C ATOM 561 HG1 THR A1913 66.094 31.978 8.802 1.00 0.00 H ATOM 562 H THR A1913 65.849 30.132 7.606 1.00 0.00 H ATOM 563 N ILE A1914 63.360 28.518 8.116 1.00 25.58 N ATOM 564 CA ILE A1914 62.327 27.466 7.885 1.00 23.61 C ATOM 565 C ILE A1914 62.781 26.121 8.439 1.00 25.91 C ATOM 566 O ILE A1914 61.987 25.390 9.050 1.00 27.14 O ATOM 567 CB ILE A1914 61.898 27.356 6.362 1.00 22.01 C ATOM 568 CG1 ILE A1914 61.245 28.663 5.915 1.00 24.36 C ATOM 569 CG2 ILE A1914 60.939 26.189 6.156 1.00 22.54 C ATOM 570 CD1 ILE A1914 60.996 28.715 4.421 1.00 29.77 C ATOM 571 H ILE A1914 63.821 28.972 7.301 1.00 0.00 H ATOM 572 N ARG A1915 64.039 25.766 8.172 1.00 23.87 N ATOM 573 CA ARG A1915 64.603 24.517 8.638 1.00 27.66 C ATOM 574 C ARG A1915 64.557 24.455 10.189 1.00 35.06 C ATOM 575 O ARG A1915 64.160 23.425 10.782 1.00 32.37 O ATOM 576 CB ARG A1915 66.058 24.400 8.146 1.00 29.18 C ATOM 577 CG ARG A1915 66.867 23.217 8.635 1.00 33.23 C ATOM 578 CD ARG A1915 66.257 21.918 8.240 1.00 31.72 C ATOM 579 NE ARG A1915 66.439 21.613 6.812 1.00 34.35 N ATOM 580 CZ ARG A1915 65.891 20.550 6.213 1.00 36.28 C ATOM 581 NH1 ARG A1915 65.086 19.758 6.890 1.00 39.02 N ATOM 582 NH2 ARG A1915 66.098 20.304 4.925 1.00 38.68 N ATOM 583 HE ARG A1915 67.023 22.256 6.240 1.00 0.00 H ATOM 584 HH12 ARG A1915 64.659 18.931 6.426 1.00 0.00 H ATOM 585 HH11 ARG A1915 64.877 19.959 7.889 1.00 0.00 H ATOM 586 HH22 ARG A1915 65.663 19.472 4.478 1.00 0.00 H ATOM 587 HH21 ARG A1915 66.695 20.943 4.363 1.00 0.00 H ATOM 588 H ARG A1915 64.634 26.408 7.610 1.00 0.00 H ATOM 589 N GLU A1916 64.941 25.547 10.835 1.00 30.41 N ATOM 590 CA GLU A1916 64.959 25.578 12.325 1.00 34.65 C ATOM 591 C GLU A1916 63.521 25.383 12.835 1.00 37.25 C ATOM 592 O GLU A1916 63.228 24.572 13.762 1.00 33.30 O ATOM 593 CB GLU A1916 65.545 26.915 12.826 1.00 31.05 C ATOM 594 CG GLU A1916 65.607 26.980 14.338 1.00 38.85 C ATOM 595 CD GLU A1916 66.502 25.861 14.938 1.00 51.74 C ATOM 596 OE1 GLU A1916 67.627 25.632 14.409 1.00 56.38 O ATOM 597 OE2 GLU A1916 66.074 25.202 15.927 1.00 61.84 O ATOM 598 H GLU A1916 65.232 26.389 10.298 1.00 0.00 H ATOM 599 N LYS A1917 62.601 26.105 12.232 1.00 32.11 N ATOM 600 CA LYS A1917 61.188 25.929 12.595 1.00 28.32 C ATOM 601 C LYS A1917 60.655 24.500 12.395 1.00 31.37 C ATOM 602 O LYS A1917 59.937 23.952 13.246 1.00 32.34 O ATOM 603 CB LYS A1917 60.332 26.955 11.899 1.00 29.50 C ATOM 604 CG LYS A1917 60.557 28.337 12.439 1.00 30.94 C ATOM 605 CD LYS A1917 59.837 29.402 11.680 1.00 28.87 C ATOM 606 CE LYS A1917 58.345 29.246 11.812 1.00 31.88 C ATOM 607 NZ LYS A1917 57.590 30.391 11.263 1.00 33.71 N ATOM 608 HZ1 LYS A1917 57.862 31.258 11.768 1.00 0.00 H ATOM 609 HZ2 LYS A1917 57.808 30.495 10.251 1.00 0.00 H ATOM 610 HZ3 LYS A1917 56.571 30.223 11.384 1.00 0.00 H ATOM 611 H LYS A1917 62.872 26.796 11.503 1.00 0.00 H ATOM 612 N LEU A1918 61.002 23.887 11.276 1.00 30.54 N ATOM 613 CA LEU A1918 60.526 22.578 10.972 1.00 35.45 C ATOM 614 C LEU A1918 61.053 21.551 11.983 1.00 37.93 C ATOM 615 O LEU A1918 60.321 20.667 12.409 1.00 36.60 O ATOM 616 CB LEU A1918 60.934 22.192 9.548 1.00 34.39 C ATOM 617 CG LEU A1918 60.236 20.966 8.908 1.00 36.44 C ATOM 618 CD1 LEU A1918 58.723 21.117 8.780 1.00 37.32 C ATOM 619 CD2 LEU A1918 60.824 20.715 7.535 1.00 41.07 C ATOM 620 H LEU A1918 61.634 24.369 10.605 1.00 0.00 H ATOM 621 N SER A1919 62.321 21.727 12.364 1.00 36.15 N ATOM 622 CA SER A1919 63.059 20.823 13.206 1.00 41.52 C ATOM 623 C SER A1919 62.621 20.897 14.685 1.00 40.63 C ATOM 624 O SER A1919 62.934 20.014 15.466 1.00 41.80 O ATOM 625 CB SER A1919 64.567 21.173 13.108 1.00 39.31 C ATOM 626 OG SER A1919 65.085 20.747 11.874 1.00 43.52 O ATOM 627 HG SER A1919 64.599 21.199 11.140 1.00 0.00 H ATOM 628 H SER A1919 62.811 22.580 12.027 1.00 0.00 H ATOM 629 N SER A1920 61.935 21.975 15.043 1.00 30.48 N ATOM 630 CA SER A1920 61.597 22.291 16.438 1.00 37.23 C ATOM 631 C SER A1920 60.084 22.326 16.688 1.00 34.64 C ATOM 632 O SER A1920 59.630 22.885 17.691 1.00 36.73 O ATOM 633 CB SER A1920 62.232 23.624 16.829 1.00 36.16 C ATOM 634 OG SER A1920 61.743 24.711 16.052 1.00 34.24 O ATOM 635 HG SER A1920 61.942 24.547 15.096 1.00 0.00 H ATOM 636 H SER A1920 61.621 22.630 14.299 1.00 0.00 H ATOM 637 N GLY A1921 59.294 21.790 15.747 1.00 29.36 N ATOM 638 CA GLY A1921 57.854 21.669 15.934 1.00 29.70 C ATOM 639 C GLY A1921 57.097 22.972 15.895 1.00 35.19 C ATOM 640 O GLY A1921 56.026 23.126 16.524 1.00 35.33 O ATOM 641 H GLY A1921 59.720 21.452 14.861 1.00 0.00 H ATOM 642 N GLN A1922 57.608 23.930 15.125 1.00 33.89 N ATOM 643 CA GLN A1922 56.972 25.225 15.089 1.00 28.38 C ATOM 644 C GLN A1922 56.001 25.415 13.897 1.00 32.58 C ATOM 645 O GLN A1922 55.422 26.484 13.739 1.00 36.09 O ATOM 646 CB GLN A1922 58.024 26.316 15.100 1.00 33.46 C ATOM 647 CG GLN A1922 58.810 26.364 16.398 1.00 35.81 C ATOM 648 CD GLN A1922 59.782 27.536 16.437 1.00 39.98 C ATOM 649 OE1 GLN A1922 59.376 28.668 16.414 1.00 40.75 O ATOM 650 NE2 GLN A1922 61.073 27.244 16.525 1.00 40.25 N ATOM 651 HE22 GLN A1922 61.382 26.251 16.542 1.00 0.00 H ATOM 652 HE21 GLN A1922 61.777 28.008 16.577 1.00 0.00 H ATOM 653 H GLN A1922 58.458 23.747 14.554 1.00 0.00 H ATOM 654 N TYR A1923 55.829 24.380 13.081 1.00 34.68 N ATOM 655 CA TYR A1923 54.745 24.352 12.085 1.00 28.75 C ATOM 656 C TYR A1923 53.603 23.439 12.558 1.00 28.78 C ATOM 657 O TYR A1923 53.750 22.202 12.649 1.00 29.83 O ATOM 658 CB TYR A1923 55.271 23.887 10.695 1.00 30.47 C ATOM 659 CG TYR A1923 56.213 24.909 10.060 1.00 27.21 C ATOM 660 CD1 TYR A1923 55.751 26.186 9.711 1.00 29.46 C ATOM 661 CD2 TYR A1923 57.550 24.620 9.851 1.00 28.38 C ATOM 662 CE1 TYR A1923 56.610 27.151 9.215 1.00 27.40 C ATOM 663 CE2 TYR A1923 58.412 25.566 9.320 1.00 26.70 C ATOM 664 CZ TYR A1923 57.922 26.826 8.973 1.00 27.80 C ATOM 665 OH TYR A1923 58.777 27.802 8.513 1.00 26.13 O ATOM 666 HH TYR A1923 58.262 28.624 8.317 1.00 0.00 H ATOM 667 H TYR A1923 56.477 23.569 13.148 1.00 0.00 H ATOM 668 N PRO A1924 52.432 24.032 12.793 1.00 28.52 N ATOM 669 CA PRO A1924 51.260 23.209 13.181 1.00 38.25 C ATOM 670 C PRO A1924 50.856 22.244 12.081 1.00 40.27 C ATOM 671 O PRO A1924 50.422 21.152 12.377 1.00 36.60 O ATOM 672 CB PRO A1924 50.163 24.245 13.427 1.00 42.68 C ATOM 673 CG PRO A1924 50.889 25.541 13.646 1.00 39.96 C ATOM 674 CD PRO A1924 52.165 25.474 12.881 1.00 31.02 C ATOM 675 N ASN A1925 51.043 22.621 10.805 1.00 30.02 N ATOM 676 CA ASN A1925 50.567 21.785 9.706 1.00 33.25 C ATOM 677 C ASN A1925 51.270 22.168 8.416 1.00 34.05 C ATOM 678 O ASN A1925 52.040 23.131 8.378 1.00 30.64 O ATOM 679 CB ASN A1925 49.029 21.936 9.516 1.00 35.03 C ATOM 680 CG ASN A1925 48.627 23.362 9.219 1.00 39.98 C ATOM 681 OD1 ASN A1925 49.145 23.980 8.296 1.00 39.31 O ATOM 682 ND2 ASN A1925 47.715 23.903 10.013 1.00 35.08 N ATOM 683 HD22 ASN A1925 47.300 23.343 10.785 1.00 0.00 H ATOM 684 HD21 ASN A1925 47.414 24.887 9.864 1.00 0.00 H ATOM 685 H ASN A1925 51.531 23.516 10.598 1.00 0.00 H ATOM 686 N LEU A1926 51.000 21.392 7.379 1.00 37.73 N ATOM 687 CA LEU A1926 51.752 21.580 6.150 1.00 35.19 C ATOM 688 C LEU A1926 51.453 22.931 5.482 1.00 32.61 C ATOM 689 O LEU A1926 52.338 23.436 4.835 1.00 29.27 O ATOM 690 CB LEU A1926 51.602 20.390 5.163 1.00 31.06 C ATOM 691 CG LEU A1926 50.326 20.371 4.300 1.00 30.39 C ATOM 692 CD1 LEU A1926 50.412 19.255 3.262 1.00 37.84 C ATOM 693 CD2 LEU A1926 49.091 20.193 5.150 1.00 33.83 C ATOM 694 H LEU A1926 50.263 20.661 7.442 1.00 0.00 H ATOM 695 N GLU A1927 50.245 23.484 5.631 1.00 31.55 N ATOM 696 CA GLU A1927 49.924 24.785 5.067 1.00 32.19 C ATOM 697 C GLU A1927 50.737 25.917 5.665 1.00 31.74 C ATOM 698 O GLU A1927 51.165 26.832 4.944 1.00 30.42 O ATOM 699 CB GLU A1927 48.432 25.081 5.198 1.00 35.94 C ATOM 700 CG GLU A1927 47.550 24.015 4.527 1.00 52.04 C ATOM 701 CD GLU A1927 47.918 23.768 3.051 1.00 64.32 C ATOM 702 OE1 GLU A1927 48.576 24.635 2.428 1.00 52.60 O ATOM 703 OE2 GLU A1927 47.555 22.704 2.509 1.00 56.19 O ATOM 704 H GLU A1927 49.515 22.970 6.165 1.00 0.00 H ATOM 705 N THR A1928 51.003 25.852 6.976 1.00 27.45 N ATOM 706 CA THR A1928 51.837 26.864 7.590 1.00 26.93 C ATOM 707 C THR A1928 53.257 26.819 7.041 1.00 24.14 C ATOM 708 O THR A1928 53.935 27.867 6.963 1.00 24.32 O ATOM 709 CB THR A1928 51.831 26.751 9.156 1.00 30.28 C ATOM 710 OG1 THR A1928 52.267 25.450 9.566 1.00 30.13 O ATOM 711 CG2 THR A1928 50.401 26.979 9.690 1.00 37.91 C ATOM 712 HG1 THR A1928 51.658 24.766 9.191 1.00 0.00 H ATOM 713 H THR A1928 50.612 25.078 7.550 1.00 0.00 H ATOM 714 N PHE A1929 53.746 25.625 6.713 1.00 27.46 N ATOM 715 CA PHE A1929 55.071 25.488 6.111 1.00 25.25 C ATOM 716 C PHE A1929 55.116 26.128 4.689 1.00 24.99 C ATOM 717 O PHE A1929 55.989 26.930 4.376 1.00 26.86 O ATOM 718 CB PHE A1929 55.437 23.995 6.040 1.00 25.39 C ATOM 719 CG PHE A1929 56.642 23.679 5.181 1.00 24.19 C ATOM 720 CD1 PHE A1929 57.954 23.773 5.688 1.00 26.55 C ATOM 721 CD2 PHE A1929 56.471 23.283 3.841 1.00 26.56 C ATOM 722 CE1 PHE A1929 59.036 23.517 4.878 1.00 28.21 C ATOM 723 CE2 PHE A1929 57.564 22.959 3.039 1.00 25.73 C ATOM 724 CZ PHE A1929 58.852 23.092 3.551 1.00 25.59 C ATOM 725 H PHE A1929 53.175 24.774 6.888 1.00 0.00 H ATOM 726 N ALA A1930 54.157 25.776 3.848 1.00 27.84 N ATOM 727 CA ALA A1930 54.059 26.376 2.514 1.00 25.97 C ATOM 728 C ALA A1930 53.925 27.910 2.539 1.00 25.97 C ATOM 729 O ALA A1930 54.511 28.618 1.685 1.00 27.67 O ATOM 730 CB ALA A1930 52.875 25.771 1.763 1.00 32.55 C ATOM 731 H ALA A1930 53.460 25.061 4.139 1.00 0.00 H ATOM 732 N LEU A1931 53.193 28.441 3.504 1.00 29.23 N ATOM 733 CA LEU A1931 53.126 29.898 3.705 1.00 29.78 C ATOM 734 C LEU A1931 54.485 30.555 3.951 1.00 27.41 C ATOM 735 O LEU A1931 54.771 31.603 3.355 1.00 30.31 O ATOM 736 CB LEU A1931 52.205 30.259 4.869 1.00 32.70 C ATOM 737 CG LEU A1931 50.700 29.997 4.623 1.00 41.20 C ATOM 738 CD1 LEU A1931 49.898 30.261 5.893 1.00 51.85 C ATOM 739 CD2 LEU A1931 50.144 30.844 3.471 1.00 47.59 C ATOM 740 H LEU A1931 52.653 27.815 4.135 1.00 0.00 H ATOM 741 N ASP A1932 55.312 29.968 4.822 1.00 24.34 N ATOM 742 CA ASP A1932 56.689 30.488 5.011 1.00 24.92 C ATOM 743 C ASP A1932 57.537 30.343 3.733 1.00 25.06 C ATOM 744 O ASP A1932 58.319 31.235 3.394 1.00 26.19 O ATOM 745 CB ASP A1932 57.391 29.825 6.171 1.00 24.25 C ATOM 746 CG ASP A1932 57.253 30.615 7.502 1.00 34.42 C ATOM 747 OD1 ASP A1932 56.768 31.760 7.470 1.00 29.54 O ATOM 748 OD2 ASP A1932 57.723 30.115 8.536 1.00 26.26 O ATOM 749 H ASP A1932 54.989 29.144 5.369 1.00 0.00 H ATOM 750 N VAL A1933 57.445 29.205 3.041 1.00 27.27 N ATOM 751 CA VAL A1933 58.218 29.079 1.790 1.00 25.20 C ATOM 752 C VAL A1933 57.804 30.201 0.786 1.00 23.85 C ATOM 753 O VAL A1933 58.659 30.853 0.132 1.00 28.00 O ATOM 754 CB VAL A1933 58.074 27.686 1.168 1.00 25.96 C ATOM 755 CG1 VAL A1933 58.794 27.634 -0.189 1.00 29.89 C ATOM 756 CG2 VAL A1933 58.624 26.602 2.098 1.00 27.85 C ATOM 757 H VAL A1933 56.843 28.426 3.376 1.00 0.00 H ATOM 758 N ARG A1934 56.494 30.409 0.629 1.00 25.24 N ATOM 759 CA ARG A1934 56.004 31.411 -0.316 1.00 27.00 C ATOM 760 C ARG A1934 56.368 32.814 0.132 1.00 27.16 C ATOM 761 O ARG A1934 56.688 33.658 -0.696 1.00 27.58 O ATOM 762 CB ARG A1934 54.461 31.262 -0.510 1.00 26.20 C ATOM 763 CG ARG A1934 54.088 30.001 -1.253 1.00 30.23 C ATOM 764 CD ARG A1934 52.600 29.670 -1.132 1.00 30.25 C ATOM 765 NE ARG A1934 52.346 28.471 -1.914 1.00 31.09 N ATOM 766 CZ ARG A1934 51.448 27.526 -1.627 1.00 32.66 C ATOM 767 NH1 ARG A1934 50.647 27.649 -0.583 1.00 35.23 N ATOM 768 NH2 ARG A1934 51.353 26.449 -2.402 1.00 37.57 N ATOM 769 HE ARG A1934 52.915 28.338 -2.774 1.00 0.00 H ATOM 770 HH12 ARG A1934 49.952 26.905 -0.371 1.00 0.00 H ATOM 771 HH11 ARG A1934 50.712 28.489 0.026 1.00 0.00 H ATOM 772 HH22 ARG A1934 50.655 25.710 -2.182 1.00 0.00 H ATOM 773 HH21 ARG A1934 51.977 26.346 -3.228 1.00 0.00 H ATOM 774 H ARG A1934 55.815 29.852 1.185 1.00 0.00 H ATOM 775 N LEU A1935 56.422 33.037 1.452 1.00 27.51 N ATOM 776 CA LEU A1935 56.845 34.285 1.998 1.00 26.26 C ATOM 777 C LEU A1935 58.265 34.659 1.542 1.00 29.14 C ATOM 778 O LEU A1935 58.542 35.812 1.231 1.00 26.52 O ATOM 779 CB LEU A1935 56.796 34.252 3.533 1.00 27.37 C ATOM 780 CG LEU A1935 57.260 35.449 4.321 1.00 31.08 C ATOM 781 CD1 LEU A1935 56.529 36.746 3.888 1.00 35.11 C ATOM 782 CD2 LEU A1935 57.040 35.176 5.825 1.00 30.74 C ATOM 783 H LEU A1935 56.146 32.273 2.101 1.00 0.00 H ATOM 784 N VAL A1936 59.145 33.688 1.509 1.00 25.15 N ATOM 785 CA VAL A1936 60.510 33.882 0.980 1.00 25.08 C ATOM 786 C VAL A1936 60.489 34.486 -0.442 1.00 28.28 C ATOM 787 O VAL A1936 61.208 35.493 -0.751 1.00 25.12 O ATOM 788 CB VAL A1936 61.302 32.536 0.947 1.00 25.33 C ATOM 789 CG1 VAL A1936 62.697 32.775 0.341 1.00 30.28 C ATOM 790 CG2 VAL A1936 61.512 31.974 2.329 1.00 21.90 C ATOM 791 H VAL A1936 58.873 32.750 1.867 1.00 0.00 H ATOM 792 N PHE A1937 59.641 33.925 -1.309 1.00 24.48 N ATOM 793 CA PHE A1937 59.621 34.382 -2.696 1.00 28.04 C ATOM 794 C PHE A1937 58.827 35.666 -2.899 1.00 27.52 C ATOM 795 O PHE A1937 59.251 36.522 -3.694 1.00 28.89 O ATOM 796 CB PHE A1937 59.205 33.251 -3.638 1.00 27.38 C ATOM 797 CG PHE A1937 59.980 31.981 -3.402 1.00 27.17 C ATOM 798 CD1 PHE A1937 61.374 32.021 -3.331 1.00 32.01 C ATOM 799 CD2 PHE A1937 59.335 30.782 -3.241 1.00 30.37 C ATOM 800 CE1 PHE A1937 62.115 30.882 -3.073 1.00 29.80 C ATOM 801 CE2 PHE A1937 60.081 29.610 -3.001 1.00 30.93 C ATOM 802 CZ PHE A1937 61.469 29.677 -2.902 1.00 28.72 C ATOM 803 H PHE A1937 58.999 33.168 -0.998 1.00 0.00 H ATOM 804 N ASP A1938 57.788 35.871 -2.094 1.00 28.32 N ATOM 805 CA ASP A1938 57.031 37.133 -2.090 1.00 31.66 C ATOM 806 C ASP A1938 57.908 38.287 -1.585 1.00 33.93 C ATOM 807 O ASP A1938 57.926 39.356 -2.195 1.00 33.33 O ATOM 808 CB ASP A1938 55.755 37.029 -1.251 1.00 34.45 C ATOM 809 CG ASP A1938 54.751 36.069 -1.818 1.00 38.42 C ATOM 810 OD1 ASP A1938 54.899 35.646 -2.974 1.00 32.73 O ATOM 811 OD2 ASP A1938 53.786 35.722 -1.108 1.00 35.58 O ATOM 812 H ASP A1938 57.500 35.112 -1.444 1.00 0.00 H ATOM 813 N ASN A1939 58.661 38.086 -0.498 1.00 36.28 N ATOM 814 CA ASN A1939 59.687 39.080 -0.107 1.00 34.37 C ATOM 815 C ASN A1939 60.688 39.377 -1.239 1.00 34.16 C ATOM 816 O ASN A1939 61.017 40.534 -1.515 1.00 33.23 O ATOM 817 CB ASN A1939 60.449 38.652 1.143 1.00 34.97 C ATOM 818 CG ASN A1939 59.558 38.545 2.389 1.00 38.55 C ATOM 819 OD1 ASN A1939 58.434 39.044 2.416 1.00 34.59 O ATOM 820 ND2 ASN A1939 60.109 37.952 3.463 1.00 33.13 N ATOM 821 HD22 ASN A1939 61.063 37.542 3.399 1.00 0.00 H ATOM 822 HD21 ASN A1939 59.582 37.903 4.358 1.00 0.00 H ATOM 823 H ASN A1939 58.526 37.229 0.075 1.00 0.00 H ATOM 824 N CYS A1940 61.159 38.333 -1.911 1.00 25.39 N ATOM 825 CA CYS A1940 62.161 38.485 -2.889 1.00 31.21 C ATOM 826 C CYS A1940 61.638 39.408 -4.043 1.00 38.39 C ATOM 827 O CYS A1940 62.336 40.295 -4.502 1.00 35.01 O ATOM 828 CB CYS A1940 62.610 37.124 -3.390 1.00 29.87 C ATOM 829 SG CYS A1940 63.870 37.180 -4.685 1.00 31.57 S ATOM 830 H CYS A1940 60.781 37.385 -1.711 1.00 0.00 H ATOM 831 N GLU A1941 60.383 39.224 -4.418 1.00 35.84 N ATOM 832 CA GLU A1941 59.758 39.987 -5.480 1.00 41.37 C ATOM 833 C GLU A1941 59.505 41.423 -5.061 1.00 48.91 C ATOM 834 O GLU A1941 59.570 42.335 -5.879 1.00 44.28 O ATOM 835 CB GLU A1941 58.407 39.353 -5.861 1.00 42.78 C ATOM 836 CG GLU A1941 58.500 38.185 -6.807 1.00 55.00 C ATOM 837 CD GLU A1941 57.214 37.965 -7.586 1.00 57.04 C ATOM 838 OE1 GLU A1941 56.640 38.948 -8.103 1.00 59.61 O ATOM 839 OE2 GLU A1941 56.804 36.796 -7.707 1.00 43.12 O ATOM 840 H GLU A1941 59.820 38.499 -3.929 1.00 0.00 H ATOM 841 N THR A1942 59.164 41.614 -3.793 1.00 36.51 N ATOM 842 CA THR A1942 58.949 42.948 -3.237 1.00 42.13 C ATOM 843 C THR A1942 60.241 43.796 -3.228 1.00 51.26 C ATOM 844 O THR A1942 60.200 45.005 -3.494 1.00 40.58 O ATOM 845 CB THR A1942 58.337 42.869 -1.815 1.00 37.84 C ATOM 846 OG1 THR A1942 57.057 42.275 -1.923 1.00 41.33 O ATOM 847 CG2 THR A1942 58.177 44.266 -1.205 1.00 47.11 C ATOM 848 HG1 THR A1942 57.147 41.367 -2.308 1.00 0.00 H ATOM 849 H THR A1942 59.046 40.787 -3.174 1.00 0.00 H ATOM 850 N PHE A1943 61.377 43.162 -2.951 1.00 36.83 N ATOM 851 CA PHE A1943 62.619 43.893 -2.808 1.00 40.65 C ATOM 852 C PHE A1943 63.504 43.941 -4.038 1.00 37.54 C ATOM 853 O PHE A1943 64.340 44.845 -4.159 1.00 43.62 O ATOM 854 CB PHE A1943 63.451 43.328 -1.656 1.00 37.47 C ATOM 855 CG PHE A1943 64.383 44.344 -1.037 1.00 32.42 C ATOM 856 CD1 PHE A1943 63.891 45.305 -0.177 1.00 36.71 C ATOM 857 CD2 PHE A1943 65.744 44.319 -1.294 1.00 40.29 C ATOM 858 CE1 PHE A1943 64.730 46.235 0.425 1.00 46.32 C ATOM 859 CE2 PHE A1943 66.587 45.245 -0.705 1.00 44.03 C ATOM 860 CZ PHE A1943 66.075 46.208 0.149 1.00 43.69 C ATOM 861 H PHE A1943 61.373 42.128 -2.836 1.00 0.00 H ATOM 862 N ASN A1944 63.404 42.940 -4.894 1.00 36.27 N ATOM 863 CA ASN A1944 64.338 42.815 -6.025 1.00 34.27 C ATOM 864 C ASN A1944 63.652 42.983 -7.383 1.00 42.31 C ATOM 865 O ASN A1944 62.525 42.524 -7.573 1.00 40.59 O ATOM 866 CB ASN A1944 64.994 41.475 -5.997 1.00 31.35 C ATOM 867 CG ASN A1944 65.832 41.263 -4.755 1.00 34.25 C ATOM 868 OD1 ASN A1944 67.012 41.590 -4.730 1.00 36.23 O ATOM 869 ND2 ASN A1944 65.239 40.677 -3.739 1.00 31.58 N ATOM 870 HD22 ASN A1944 64.234 40.416 -3.803 1.00 0.00 H ATOM 871 HD21 ASN A1944 65.774 40.474 -2.871 1.00 0.00 H ATOM 872 H ASN A1944 62.655 42.230 -4.767 1.00 0.00 H ATOM 873 N GLU A1945 64.338 43.666 -8.307 1.00 42.19 N ATOM 874 CA GLU A1945 63.888 43.755 -9.705 1.00 38.87 C ATOM 875 C GLU A1945 63.851 42.351 -10.308 1.00 46.98 C ATOM 876 O GLU A1945 64.777 41.558 -10.092 1.00 39.07 O ATOM 877 CB GLU A1945 64.861 44.634 -10.536 1.00 42.49 C ATOM 878 CG GLU A1945 64.762 46.142 -10.306 1.00 46.29 C ATOM 879 CD GLU A1945 63.434 46.753 -10.774 1.00 48.19 C ATOM 880 OE1 GLU A1945 62.631 46.067 -11.453 1.00 57.08 O ATOM 881 OE2 GLU A1945 63.173 47.922 -10.436 1.00 59.36 O ATOM 882 H GLU A1945 65.216 44.149 -8.028 1.00 0.00 H ATOM 883 N ASP A1946 62.779 42.051 -11.071 1.00 41.74 N ATOM 884 CA ASP A1946 62.636 40.763 -11.816 1.00 47.45 C ATOM 885 C ASP A1946 63.863 40.398 -12.626 1.00 49.26 C ATOM 886 O ASP A1946 64.218 39.223 -12.755 1.00 51.64 O ATOM 887 CB ASP A1946 61.402 40.800 -12.743 1.00 50.22 C ATOM 888 CG ASP A1946 60.089 40.705 -11.978 1.00 58.63 C ATOM 889 OD1 ASP A1946 60.097 40.292 -10.786 1.00 57.92 O ATOM 890 OD2 ASP A1946 59.037 41.036 -12.559 1.00 54.06 O ATOM 891 H ASP A1946 62.014 42.751 -11.144 1.00 0.00 H ATOM 892 N ASP A1947 64.528 41.431 -13.121 1.00 56.30 N ATOM 893 CA ASP A1947 65.650 41.306 -14.020 1.00 60.30 C ATOM 894 C ASP A1947 66.986 40.974 -13.318 1.00 52.63 C ATOM 895 O ASP A1947 67.907 40.491 -13.951 1.00 64.79 O ATOM 896 CB ASP A1947 65.768 42.615 -14.826 1.00 64.77 C ATOM 897 CG ASP A1947 66.736 42.507 -15.995 1.00 85.47 C ATOM 898 OD1 ASP A1947 66.920 41.390 -16.525 1.00 70.56 O ATOM 899 OD2 ASP A1947 67.304 43.548 -16.391 1.00 87.11 O ATOM 900 H ASP A1947 64.224 42.387 -12.846 1.00 0.00 H ATOM 901 N SER A1948 67.068 41.221 -12.013 1.00 50.36 N ATOM 902 CA SER A1948 68.288 40.970 -11.256 1.00 43.72 C ATOM 903 C SER A1948 68.590 39.460 -11.172 1.00 39.04 C ATOM 904 O SER A1948 67.729 38.634 -11.453 1.00 38.71 O ATOM 905 CB SER A1948 68.149 41.572 -9.854 1.00 47.01 C ATOM 906 OG SER A1948 67.017 41.039 -9.163 1.00 39.23 O ATOM 907 HG SER A1948 66.194 41.242 -9.674 1.00 0.00 H ATOM 908 H SER A1948 66.237 41.604 -11.519 1.00 0.00 H ATOM 909 N ASP A1949 69.817 39.106 -10.796 1.00 39.24 N ATOM 910 CA ASP A1949 70.159 37.697 -10.564 1.00 36.25 C ATOM 911 C ASP A1949 69.350 37.136 -9.397 1.00 33.36 C ATOM 912 O ASP A1949 68.848 36.022 -9.481 1.00 33.26 O ATOM 913 CB ASP A1949 71.637 37.515 -10.316 1.00 39.76 C ATOM 914 CG ASP A1949 72.473 37.788 -11.586 1.00 47.65 C ATOM 915 OD1 ASP A1949 72.307 37.062 -12.603 1.00 44.90 O ATOM 916 OD2 ASP A1949 73.263 38.730 -11.542 1.00 44.20 O ATOM 917 H ASP A1949 70.544 39.838 -10.665 1.00 0.00 H ATOM 918 N ILE A1950 69.201 37.921 -8.333 1.00 35.21 N ATOM 919 CA ILE A1950 68.408 37.465 -7.172 1.00 35.53 C ATOM 920 C ILE A1950 66.933 37.296 -7.543 1.00 33.83 C ATOM 921 O ILE A1950 66.295 36.281 -7.199 1.00 29.17 O ATOM 922 CB ILE A1950 68.531 38.443 -5.988 1.00 29.49 C ATOM 923 CG1 ILE A1950 69.969 38.391 -5.456 1.00 32.77 C ATOM 924 CG2 ILE A1950 67.501 38.083 -4.881 1.00 29.85 C ATOM 925 CD1 ILE A1950 70.329 39.462 -4.473 1.00 41.61 C ATOM 926 H ILE A1950 69.645 38.861 -8.318 1.00 0.00 H ATOM 927 N GLY A1951 66.416 38.265 -8.280 1.00 26.87 N ATOM 928 CA GLY A1951 65.014 38.279 -8.721 1.00 28.11 C ATOM 929 C GLY A1951 64.669 37.088 -9.614 1.00 31.07 C ATOM 930 O GLY A1951 63.614 36.443 -9.447 1.00 32.30 O ATOM 931 H GLY A1951 67.031 39.055 -8.561 1.00 0.00 H ATOM 932 N ARG A1952 65.551 36.808 -10.576 1.00 40.58 N ATOM 933 CA ARG A1952 65.429 35.594 -11.412 1.00 38.61 C ATOM 934 C ARG A1952 65.528 34.311 -10.577 1.00 32.09 C ATOM 935 O ARG A1952 64.827 33.332 -10.831 1.00 33.46 O ATOM 936 CB ARG A1952 66.542 35.554 -12.468 1.00 41.59 C ATOM 937 CG ARG A1952 66.367 36.496 -13.641 1.00 50.82 C ATOM 938 CD ARG A1952 67.407 36.154 -14.717 1.00 54.33 C ATOM 939 NE ARG A1952 67.646 37.245 -15.632 1.00 69.83 N ATOM 940 CZ ARG A1952 68.597 38.161 -15.493 1.00 84.19 C ATOM 941 NH1 ARG A1952 68.748 39.100 -16.430 1.00111.88 N ATOM 942 NH2 ARG A1952 69.402 38.151 -14.434 1.00 65.54 N ATOM 943 HE ARG A1952 67.026 37.319 -16.464 1.00 0.00 H ATOM 944 HH12 ARG A1952 69.491 39.821 -16.329 1.00 0.00 H ATOM 945 HH11 ARG A1952 68.123 39.110 -17.261 1.00 0.00 H ATOM 946 HH22 ARG A1952 70.143 38.874 -14.337 1.00 0.00 H ATOM 947 HH21 ARG A1952 69.290 37.420 -13.703 1.00 0.00 H ATOM 948 H ARG A1952 66.344 37.460 -10.742 1.00 0.00 H ATOM 949 N ALA A1953 66.449 34.288 -9.624 1.00 35.91 N ATOM 950 CA ALA A1953 66.600 33.120 -8.773 1.00 32.02 C ATOM 951 C ALA A1953 65.305 32.803 -8.056 1.00 30.98 C ATOM 952 O ALA A1953 64.890 31.620 -7.986 1.00 32.27 O ATOM 953 CB ALA A1953 67.760 33.314 -7.806 1.00 35.63 C ATOM 954 H ALA A1953 67.068 35.112 -9.484 1.00 0.00 H ATOM 955 N GLY A1954 64.630 33.853 -7.558 1.00 28.92 N ATOM 956 CA GLY A1954 63.404 33.692 -6.821 1.00 31.86 C ATOM 957 C GLY A1954 62.273 33.141 -7.653 1.00 36.12 C ATOM 958 O GLY A1954 61.512 32.246 -7.206 1.00 31.33 O ATOM 959 H GLY A1954 65.005 34.811 -7.710 1.00 0.00 H ATOM 960 N HIS A1955 62.118 33.662 -8.867 1.00 30.99 N ATOM 961 CA HIS A1955 61.078 33.142 -9.761 1.00 33.11 C ATOM 962 C HIS A1955 61.309 31.676 -10.075 1.00 28.92 C ATOM 963 O HIS A1955 60.389 30.855 -10.024 1.00 35.16 O ATOM 964 CB HIS A1955 61.030 33.942 -11.073 1.00 38.03 C ATOM 965 CG HIS A1955 60.411 35.295 -10.920 1.00 36.76 C ATOM 966 ND1 HIS A1955 59.077 35.472 -10.621 1.00 48.37 N ATOM 967 CD2 HIS A1955 60.942 36.536 -11.008 1.00 42.78 C ATOM 968 CE1 HIS A1955 58.814 36.762 -10.519 1.00 45.92 C ATOM 969 NE2 HIS A1955 59.921 37.431 -10.773 1.00 43.22 N ATOM 970 H HIS A1955 62.734 34.438 -9.182 1.00 0.00 H ATOM 971 N ASN A1956 62.569 31.327 -10.332 1.00 32.94 N ATOM 972 CA ASN A1956 62.920 29.947 -10.604 1.00 29.47 C ATOM 973 C ASN A1956 62.631 29.012 -9.387 1.00 36.79 C ATOM 974 O ASN A1956 62.141 27.873 -9.538 1.00 35.08 O ATOM 975 CB ASN A1956 64.404 29.858 -10.937 1.00 34.78 C ATOM 976 CG ASN A1956 64.749 30.294 -12.365 1.00 35.03 C ATOM 977 OD1 ASN A1956 63.902 30.707 -13.159 1.00 33.46 O ATOM 978 ND2 ASN A1956 66.024 30.228 -12.668 1.00 34.90 N ATOM 979 HD22 ASN A1956 66.707 29.873 -11.969 1.00 0.00 H ATOM 980 HD21 ASN A1956 66.352 30.531 -13.608 1.00 0.00 H ATOM 981 H ASN A1956 63.311 32.055 -10.338 1.00 0.00 H ATOM 982 N MET A1957 62.992 29.467 -8.183 1.00 29.40 N ATOM 983 CA MET A1957 62.802 28.647 -7.004 1.00 28.55 C ATOM 984 C MET A1957 61.340 28.472 -6.693 1.00 23.37 C ATOM 985 O MET A1957 60.939 27.439 -6.133 1.00 31.08 O ATOM 986 CB MET A1957 63.530 29.237 -5.771 1.00 29.53 C ATOM 987 CG MET A1957 65.028 29.232 -5.865 1.00 33.85 C ATOM 988 SD MET A1957 65.802 27.622 -6.158 1.00 40.13 S ATOM 989 CE MET A1957 65.341 26.741 -4.690 1.00 37.51 C ATOM 990 H MET A1957 63.411 30.414 -8.092 1.00 0.00 H ATOM 991 N ARG A1958 60.547 29.500 -6.954 1.00 30.53 N ATOM 992 CA ARG A1958 59.146 29.413 -6.667 1.00 30.89 C ATOM 993 C ARG A1958 58.498 28.361 -7.562 1.00 31.89 C ATOM 994 O ARG A1958 57.765 27.504 -7.082 1.00 27.15 O ATOM 995 CB ARG A1958 58.484 30.732 -6.897 1.00 33.39 C ATOM 996 CG ARG A1958 57.008 30.711 -6.544 1.00 38.75 C ATOM 997 CD ARG A1958 56.263 31.878 -7.177 1.00 39.85 C ATOM 998 NE ARG A1958 56.612 33.195 -6.631 1.00 40.77 N ATOM 999 CZ ARG A1958 56.158 33.731 -5.486 1.00 38.43 C ATOM 1000 NH1 ARG A1958 56.506 34.972 -5.178 1.00 37.42 N ATOM 1001 NH2 ARG A1958 55.336 33.072 -4.664 1.00 41.47 N ATOM 1002 HE ARG A1958 57.277 33.771 -7.186 1.00 0.00 H ATOM 1003 HH12 ARG A1958 56.164 35.404 -4.296 1.00 0.00 H ATOM 1004 HH11 ARG A1958 57.121 35.514 -5.818 1.00 0.00 H ATOM 1005 HH22 ARG A1958 55.007 33.523 -3.786 1.00 0.00 H ATOM 1006 HH21 ARG A1958 55.025 32.108 -4.902 1.00 0.00 H ATOM 1007 H ARG A1958 60.941 30.370 -7.367 1.00 0.00 H ATOM 1008 N LYS A1959 58.746 28.474 -8.872 1.00 27.76 N ATOM 1009 CA LYS A1959 58.279 27.483 -9.850 1.00 33.55 C ATOM 1010 C LYS A1959 58.688 26.088 -9.425 1.00 29.85 C ATOM 1011 O LYS A1959 57.866 25.178 -9.345 1.00 35.83 O ATOM 1012 CB LYS A1959 58.822 27.846 -11.272 1.00 33.95 C ATOM 1013 CG LYS A1959 58.366 26.894 -12.382 1.00 61.38 C ATOM 1014 CD LYS A1959 56.890 26.505 -12.263 1.00 84.74 C ATOM 1015 CE LYS A1959 56.380 25.792 -13.513 1.00 98.69 C ATOM 1016 NZ LYS A1959 55.632 26.703 -14.416 1.00102.57 N ATOM 1017 HZ1 LYS A1959 54.812 27.094 -13.910 1.00 0.00 H ATOM 1018 HZ2 LYS A1959 56.256 27.478 -14.719 1.00 0.00 H ATOM 1019 HZ3 LYS A1959 55.307 26.173 -15.249 1.00 0.00 H ATOM 1020 H LYS A1959 59.289 29.294 -9.210 1.00 0.00 H ATOM 1021 N TYR A1960 59.936 25.944 -8.999 1.00 31.12 N ATOM 1022 CA TYR A1960 60.445 24.680 -8.544 1.00 28.57 C ATOM 1023 C TYR A1960 59.717 24.114 -7.325 1.00 36.17 C ATOM 1024 O TYR A1960 59.401 22.899 -7.247 1.00 31.97 O ATOM 1025 CB TYR A1960 61.925 24.856 -8.247 1.00 31.75 C ATOM 1026 CG TYR A1960 62.689 23.596 -7.864 1.00 32.24 C ATOM 1027 CD1 TYR A1960 63.080 22.661 -8.829 1.00 42.40 C ATOM 1028 CD2 TYR A1960 63.106 23.385 -6.547 1.00 35.38 C ATOM 1029 CE1 TYR A1960 63.813 21.533 -8.480 1.00 37.44 C ATOM 1030 CE2 TYR A1960 63.870 22.285 -6.197 1.00 30.46 C ATOM 1031 CZ TYR A1960 64.220 21.355 -7.177 1.00 41.59 C ATOM 1032 OH TYR A1960 64.960 20.249 -6.847 1.00 49.36 O ATOM 1033 HH TYR A1960 65.829 20.536 -6.470 1.00 0.00 H ATOM 1034 H TYR A1960 60.565 26.772 -8.994 1.00 0.00 H ATOM 1035 N PHE A1961 59.469 24.984 -6.355 1.00 32.19 N ATOM 1036 CA PHE A1961 58.720 24.621 -5.161 1.00 31.78 C ATOM 1037 C PHE A1961 57.275 24.182 -5.464 1.00 28.50 C ATOM 1038 O PHE A1961 56.778 23.184 -4.916 1.00 30.72 O ATOM 1039 CB PHE A1961 58.637 25.795 -4.196 1.00 29.52 C ATOM 1040 CG PHE A1961 57.689 25.544 -3.026 1.00 25.75 C ATOM 1041 CD1 PHE A1961 57.974 24.560 -2.079 1.00 30.59 C ATOM 1042 CD2 PHE A1961 56.506 26.251 -2.898 1.00 29.92 C ATOM 1043 CE1 PHE A1961 57.092 24.301 -1.019 1.00 30.46 C ATOM 1044 CE2 PHE A1961 55.624 25.996 -1.827 1.00 30.52 C ATOM 1045 CZ PHE A1961 55.905 25.037 -0.902 1.00 27.97 C ATOM 1046 H PHE A1961 59.821 25.958 -6.451 1.00 0.00 H ATOM 1047 N GLU A1962 56.585 24.974 -6.254 1.00 28.87 N ATOM 1048 CA GLU A1962 55.146 24.775 -6.386 1.00 31.72 C ATOM 1049 C GLU A1962 54.843 23.470 -7.121 1.00 42.38 C ATOM 1050 O GLU A1962 53.797 22.831 -6.883 1.00 37.33 O ATOM 1051 CB GLU A1962 54.493 25.928 -7.111 1.00 36.76 C ATOM 1052 CG GLU A1962 54.469 27.247 -6.348 1.00 36.81 C ATOM 1053 CD GLU A1962 53.733 27.194 -5.006 1.00 34.69 C ATOM 1054 OE1 GLU A1962 53.063 26.192 -4.716 1.00 38.04 O ATOM 1055 OE2 GLU A1962 53.887 28.149 -4.216 1.00 37.04 O ATOM 1056 H GLU A1962 57.060 25.735 -6.780 1.00 0.00 H ATOM 1057 N LYS A1963 55.735 23.077 -8.028 1.00 39.90 N ATOM 1058 CA LYS A1963 55.592 21.772 -8.701 1.00 42.14 C ATOM 1059 C LYS A1963 55.849 20.579 -7.745 1.00 35.57 C ATOM 1060 O LYS A1963 55.114 19.566 -7.759 1.00 42.42 O ATOM 1061 CB LYS A1963 56.510 21.727 -9.924 1.00 45.33 C ATOM 1062 CG LYS A1963 56.206 20.562 -10.872 1.00 62.39 C ATOM 1063 CD LYS A1963 57.296 19.509 -10.834 1.00 59.54 C ATOM 1064 CE LYS A1963 57.311 18.674 -12.122 1.00 60.33 C ATOM 1065 NZ LYS A1963 56.135 17.769 -12.246 1.00 53.71 N ATOM 1066 HZ1 LYS A1963 56.121 17.109 -11.442 1.00 0.00 H ATOM 1067 HZ2 LYS A1963 55.262 18.335 -12.247 1.00 0.00 H ATOM 1068 HZ3 LYS A1963 56.203 17.233 -13.135 1.00 0.00 H ATOM 1069 H LYS A1963 56.538 23.694 -8.264 1.00 0.00 H ATOM 1070 N LYS A1964 56.870 20.694 -6.877 1.00 39.04 N ATOM 1071 CA LYS A1964 57.098 19.653 -5.856 1.00 43.41 C ATOM 1072 C LYS A1964 55.947 19.589 -4.868 1.00 40.49 C ATOM 1073 O LYS A1964 55.550 18.503 -4.400 1.00 40.97 O ATOM 1074 CB LYS A1964 58.420 19.892 -5.088 1.00 39.23 C ATOM 1075 CG LYS A1964 59.625 19.799 -5.984 1.00 55.81 C ATOM 1076 CD LYS A1964 60.815 19.197 -5.278 1.00 69.87 C ATOM 1077 CE LYS A1964 61.988 19.046 -6.239 1.00 64.62 C ATOM 1078 NZ LYS A1964 61.719 18.098 -7.362 1.00 68.29 N ATOM 1079 HZ1 LYS A1964 61.508 17.156 -6.976 1.00 0.00 H ATOM 1080 HZ2 LYS A1964 60.905 18.438 -7.913 1.00 0.00 H ATOM 1081 HZ3 LYS A1964 62.557 18.043 -7.976 1.00 0.00 H ATOM 1082 H LYS A1964 57.501 21.519 -6.925 1.00 0.00 H ATOM 1083 N TRP A1965 55.399 20.756 -4.543 1.00 38.91 N ATOM 1084 CA TRP A1965 54.244 20.832 -3.650 1.00 34.56 C ATOM 1085 C TRP A1965 53.025 20.073 -4.233 1.00 38.77 C ATOM 1086 O TRP A1965 52.414 19.246 -3.564 1.00 42.24 O ATOM 1087 CB TRP A1965 53.869 22.290 -3.396 1.00 32.89 C ATOM 1088 CG TRP A1965 52.916 22.447 -2.282 1.00 34.62 C ATOM 1089 CD1 TRP A1965 51.576 22.739 -2.366 1.00 42.12 C ATOM 1090 CD2 TRP A1965 53.192 22.233 -0.879 1.00 37.06 C ATOM 1091 NE1 TRP A1965 51.007 22.730 -1.095 1.00 41.85 N ATOM 1092 CE2 TRP A1965 51.980 22.443 -0.172 1.00 36.68 C ATOM 1093 CE3 TRP A1965 54.343 21.909 -0.157 1.00 29.86 C ATOM 1094 CZ2 TRP A1965 51.892 22.325 1.234 1.00 38.53 C ATOM 1095 CZ3 TRP A1965 54.243 21.820 1.275 1.00 29.22 C ATOM 1096 CH2 TRP A1965 53.040 22.043 1.918 1.00 31.84 C ATOM 1097 HE1 TRP A1965 50.006 22.912 -0.880 1.00 0.00 H ATOM 1098 H TRP A1965 55.800 21.633 -4.932 1.00 0.00 H ATOM 1099 N THR A1966 52.719 20.347 -5.499 1.00 38.58 N ATOM 1100 CA THR A1966 51.587 19.734 -6.190 1.00 40.67 C ATOM 1101 C THR A1966 51.800 18.261 -6.335 1.00 44.53 C ATOM 1102 O THR A1966 50.902 17.467 -6.055 1.00 50.42 O ATOM 1103 CB THR A1966 51.429 20.316 -7.592 1.00 46.56 C ATOM 1104 OG1 THR A1966 51.062 21.683 -7.479 1.00 55.98 O ATOM 1105 CG2 THR A1966 50.377 19.594 -8.361 1.00 54.97 C ATOM 1106 HG1 THR A1966 51.768 22.174 -6.988 1.00 0.00 H ATOM 1107 H THR A1966 53.311 21.026 -6.018 1.00 0.00 H ATOM 1108 N ASP A1967 52.994 17.882 -6.770 1.00 45.57 N ATOM 1109 CA ASP A1967 53.284 16.480 -7.003 1.00 47.01 C ATOM 1110 C ASP A1967 53.290 15.693 -5.732 1.00 44.99 C ATOM 1111 O ASP A1967 52.963 14.520 -5.738 1.00 45.42 O ATOM 1112 CB ASP A1967 54.626 16.309 -7.694 1.00 57.73 C ATOM 1113 CG ASP A1967 54.609 16.796 -9.119 1.00 54.86 C ATOM 1114 OD1 ASP A1967 53.516 17.077 -9.667 1.00 50.09 O ATOM 1115 OD2 ASP A1967 55.710 16.977 -9.664 1.00 53.92 O ATOM 1116 H ASP A1967 53.729 18.596 -6.946 1.00 0.00 H ATOM 1117 N THR A1968 53.653 16.325 -4.623 1.00 47.77 N ATOM 1118 CA THR A1968 53.775 15.596 -3.347 1.00 47.20 C ATOM 1119 C THR A1968 52.438 15.449 -2.581 1.00 44.87 C ATOM 1120 O THR A1968 52.202 14.441 -1.954 1.00 47.65 O ATOM 1121 CB THR A1968 54.806 16.279 -2.440 1.00 46.96 C ATOM 1122 OG1 THR A1968 56.058 16.354 -3.129 1.00 41.49 O ATOM 1123 CG2 THR A1968 55.000 15.508 -1.138 1.00 51.88 C ATOM 1124 HG1 THR A1968 55.945 16.879 -3.960 1.00 0.00 H ATOM 1125 H THR A1968 53.854 17.345 -4.654 1.00 0.00 H ATOM 1126 N PHE A1969 51.603 16.481 -2.627 1.00 48.67 N ATOM 1127 CA PHE A1969 50.432 16.593 -1.766 1.00 55.49 C ATOM 1128 C PHE A1969 49.098 16.728 -2.501 1.00 57.87 C ATOM 1129 O PHE A1969 48.103 16.175 -2.060 1.00 67.28 O ATOM 1130 CB PHE A1969 50.591 17.825 -0.875 1.00 54.94 C ATOM 1131 CG PHE A1969 51.694 17.697 0.134 1.00 45.99 C ATOM 1132 CD1 PHE A1969 51.642 16.706 1.115 1.00 48.58 C ATOM 1133 CD2 PHE A1969 52.789 18.550 0.105 1.00 43.28 C ATOM 1134 CE1 PHE A1969 52.661 16.578 2.047 1.00 43.91 C ATOM 1135 CE2 PHE A1969 53.809 18.416 1.036 1.00 38.18 C ATOM 1136 CZ PHE A1969 53.755 17.430 1.987 1.00 37.59 C ATOM 1137 H PHE A1969 51.793 17.244 -3.308 1.00 0.00 H ATOM 1138 N LYS A1970 49.075 17.530 -3.567 1.00 71.39 N ATOM 1139 CA LYS A1970 47.816 17.967 -4.191 1.00 88.95 C ATOM 1140 C LYS A1970 47.431 17.019 -5.331 1.00125.66 C ATOM 1141 O LYS A1970 46.358 16.401 -5.296 1.00110.70 O ATOM 1142 CB LYS A1970 47.931 19.417 -4.692 1.00 85.38 C ATOM 1143 H LYS A1970 49.976 17.857 -3.970 1.00 0.00 H ATOM 1144 N VAL A1971 48.320 16.894 -6.324 1.00161.25 N ATOM 1145 CA VAL A1971 48.202 15.865 -7.377 1.00152.13 C ATOM 1146 C VAL A1971 48.882 14.563 -6.920 1.00139.76 C ATOM 1147 O VAL A1971 49.698 13.979 -7.646 1.00121.70 O ATOM 1148 CB VAL A1971 48.820 16.338 -8.719 1.00117.22 C ATOM 1149 H VAL A1971 49.127 17.549 -6.355 1.00 0.00 H ATOM 1150 N SER A1972 48.538 14.130 -5.705 1.00138.31 N ATOM 1151 CA SER A1972 49.047 12.891 -5.119 1.00130.35 C ATOM 1152 C SER A1972 48.180 12.493 -3.923 1.00126.60 C ATOM 1153 O SER A1972 47.750 13.352 -3.153 1.00104.33 O ATOM 1154 CB SER A1972 50.498 13.066 -4.678 1.00115.13 C ATOM 1155 OG SER A1972 50.976 11.908 -4.019 1.00115.58 O ATOM 1156 OXT SER A1972 47.874 11.315 -3.709 1.00150.75 O ATOM 1157 HG SER A1972 51.917 12.050 -3.745 1.00 0.00 H ATOM 1158 H SER A1972 47.874 14.703 -5.147 1.00 0.00 H TER 1159 SER A1972 HETATM 1160 O HOH 1 67.560 35.284 2.251 1.00 28.65 O HETATM 1161 O HOH 2 67.765 46.650 6.314 1.00 53.27 O HETATM 1162 O HOH 3 71.869 33.227 1.545 1.00 26.73 O HETATM 1163 O HOH 4 57.091 40.380 4.571 1.00 33.35 O HETATM 1164 O HOH 5 62.352 13.469 4.545 1.00 48.49 O HETATM 1165 O HOH 6 58.026 46.286 -4.171 1.00 40.51 O HETATM 1166 O HOH 7 56.512 12.519 8.884 1.00 37.26 O HETATM 1167 O HOH 8 66.799 45.105 -7.447 1.00 44.69 O HETATM 1168 O HOH 9 51.552 24.230 -5.885 1.00 38.77 O HETATM 1169 O HOH 10 72.558 30.772 -9.646 1.00 34.58 O HETATM 1170 O HOH 11 49.983 17.340 10.709 1.00 40.20 O HETATM 1171 O HOH 12 69.586 27.243 4.242 1.00 43.82 O HETATM 1172 O HOH 13 53.771 24.063 15.899 1.00 44.49 O HETATM 1173 O HOH 14 52.955 33.482 2.590 1.00 30.96 O HETATM 1174 O HOH 15 60.736 44.110 -11.476 1.00 51.71 O HETATM 1175 O HOH 16 63.187 44.218 -13.488 1.00 51.44 O HETATM 1176 O HOH 17 72.264 25.422 -3.058 1.00 35.53 O HETATM 1177 O HOH 18 59.972 16.122 -3.129 1.00 55.85 O HETATM 1178 O HOH 19 56.343 43.140 3.801 1.00 46.39 O HETATM 1179 O HOH 20 33.640 10.770 8.760 1.00 40.82 O HETATM 1180 O HOH 21 49.742 30.429 -0.095 1.00 48.21 O HETATM 1181 O HOH 22 58.755 33.104 12.189 1.00 44.49 O HETATM 1182 O HOH 23 73.915 41.177 10.138 1.00 72.63 O HETATM 1183 O HOH 24 52.621 34.311 5.043 1.00 43.68 O HETATM 1184 O HOH 25 63.564 36.479 -0.041 1.00 33.97 O HETATM 1185 O HOH 26 58.604 34.656 -7.692 1.00 33.60 O HETATM 1186 O HOH 27 57.409 21.530 12.619 1.00 37.86 O HETATM 1187 O HOH 28 73.556 27.733 -3.313 1.00 44.03 O HETATM 1188 O HOH 29 39.441 11.077 8.395 1.00 57.83 O HETATM 1189 O HOH 30 54.135 32.534 6.898 1.00 39.80 O HETATM 1190 O HOH 31 74.455 27.762 -5.638 1.00 49.14 O HETATM 1191 O HOH 32 74.515 32.275 -0.547 1.00 35.35 O HETATM 1192 O HOH 33 67.646 20.313 -5.595 1.00 41.35 O HETATM 1193 O HOH 34 69.821 31.117 10.270 1.00 45.83 O HETATM 1194 O HOH 35 70.846 40.279 -7.969 1.00 40.64 O HETATM 1195 O HOH 36 59.937 21.095 -9.120 1.00 40.57 O HETATM 1196 O HOH 37 65.202 15.579 3.917 1.00 73.48 O HETATM 1197 O HOH 38 59.893 21.935 -11.758 1.00 35.35 O HETATM 1198 O HOH 39 56.169 39.838 1.093 1.00 52.30 O HETATM 1199 O HOH 40 59.149 36.945 9.603 1.00 44.01 O HETATM 1200 O HOH 41 58.845 40.906 11.543 1.00 52.40 O HETATM 1201 O HOH 42 63.845 19.740 9.634 1.00 41.52 O HETATM 1202 O HOH 43 51.154 32.837 0.637 1.00 39.66 O HETATM 1203 O HOH 44 53.097 36.995 5.931 1.00 46.65 O HETATM 1204 O HOH 45 41.535 16.736 5.098 1.00 67.94 O HETATM 1205 O HOH 46 31.756 11.949 15.884 1.00 67.61 O HETATM 1206 O HOH 47 53.637 35.912 1.494 1.00 37.81 O HETATM 1207 O HOH 48 46.719 26.372 8.911 1.00 58.28 O HETATM 1208 O HOH 49 61.263 14.163 -4.799 1.00 74.12 O HETATM 1209 O HOH 50 26.496 18.961 15.253 1.00 38.03 O HETATM 1210 O HOH 51 42.926 18.286 5.977 1.00 71.87 O HETATM 1211 O HOH 52 57.930 41.514 -9.206 1.00 60.00 O HETATM 1212 O HOH 53 56.362 33.217 9.594 1.00 43.51 O HETATM 1213 O HOH 54 46.400 22.176 12.265 1.00 56.66 O HETATM 1214 O HOH 55 70.310 20.364 2.476 1.00 48.00 O HETATM 1215 O HOH 56 53.868 38.596 2.156 1.00 41.21 O HETATM 1216 O HOH 57 60.653 18.084 13.395 1.00 42.77 O HETATM 1217 O HOH 58 60.540 19.581 -12.894 1.00 47.11 O HETATM 1218 O HOH 59 53.518 33.902 9.529 1.00 58.83 O HETATM 1219 O HOH 60 72.430 24.607 1.325 1.00 48.15 O HETATM 1220 O HOH 61 57.225 9.707 7.978 1.00 55.46 O HETATM 1221 O HOH 62 55.109 8.459 9.811 1.00 66.34 O HETATM 1222 O HOH 63 41.990 19.749 8.613 1.00 74.65 O HETATM 1223 O HOH 64 66.476 39.364 7.293 1.00 36.42 O HETATM 1224 O HOH 65 65.899 38.798 9.781 1.00 39.06 O HETATM 1225 O HOH 66 67.983 38.873 11.022 1.00 56.42 O HETATM 1226 O HOH 67 70.479 40.141 9.627 1.00 49.06 O HETATM 1227 O HOH 68 72.163 38.734 9.147 1.00 55.73 O HETATM 1228 O HOH 69 72.549 36.661 7.206 1.00 50.78 O HETATM 1229 O HOH 70 74.491 37.055 5.584 1.00 51.04 O HETATM 1230 O HOH 71 65.505 37.329 5.443 1.00 30.63 O HETATM 1231 O HOH 72 64.848 35.473 7.344 1.00 27.29 O HETATM 1232 O HOH 73 64.776 36.177 9.963 1.00 35.20 O HETATM 1233 O HOH 74 60.964 34.169 12.161 1.00 43.74 O HETATM 1234 O HOH 75 63.214 37.600 3.597 1.00 28.51 O HETATM 1235 O HOH 76 64.952 35.365 2.001 1.00 28.59 O HETATM 1236 O HOH 77 74.411 32.612 2.066 1.00 39.72 O HETATM 1237 O HOH 78 68.523 25.567 5.804 1.00 40.04 O HETATM 1238 O HOH 79 69.951 25.102 8.043 1.00 42.29 O HETATM 1239 O HOH 80 68.651 26.100 10.215 1.00 37.04 O HETATM 1240 O HOH 81 68.095 24.244 12.004 1.00 40.98 O HETATM 1241 O HOH 82 67.852 21.726 11.692 1.00 50.43 O HETATM 1242 O HOH 83 60.065 18.370 -9.241 1.00 60.08 O HETATM 1243 O HOH 84 57.918 16.707 -8.292 1.00 53.23 O HETATM 1244 O HOH 85 48.789 25.429 0.092 1.00 50.02 O HETATM 1245 O HOH 86 50.022 18.740 8.156 1.00 36.25 O HETATM 1246 O HOH 87 50.940 12.538 5.023 1.00 42.40 O HETATM 1247 O HOH 88 54.627 30.164 10.872 1.00 44.77 O HETATM 1248 O HOH 89 53.542 28.192 11.970 1.00 54.22 O HETATM 1249 O HOH 90 53.544 30.106 8.384 1.00 34.84 O HETATM 1250 O HOH 91 45.967 17.620 6.546 1.00 47.43 O HETATM 1251 O HOH 92 44.604 15.943 8.206 1.00 51.16 O HETATM 1252 O HOH 93 47.177 19.269 8.167 1.00 52.55 O HETATM 1253 O HOH 94 61.920 37.375 -7.596 1.00 34.07 O HETATM 1254 O HOH 95 61.589 39.972 -8.435 1.00 34.38 O HETATM 1255 O HOH 96 60.697 35.550 -5.916 1.00 30.20 O HETATM 1256 O HOH 97 53.819 30.714 -5.046 1.00 37.00 O HETATM 1257 O HOH 98 51.948 33.868 -1.793 1.00 39.90 O HETATM 1258 O HOH 99 51.917 32.121 -3.884 1.00 47.13 O HETATM 1259 O HOH 100 49.820 28.395 -5.306 1.00 66.25 O HETATM 1260 O HOH 101 52.866 30.424 -7.626 1.00 46.86 O HETATM 1261 O HOH 102 55.199 39.841 -3.895 1.00 61.58 O HETATM 1262 O HOH 103 54.570 39.247 5.035 1.00 42.92 O HETATM 1263 O HOH 104 63.983 39.231 -0.194 1.00 30.64 O HETATM 1264 O HOH 105 76.007 34.827 2.981 1.00 57.05 O HETATM 1265 O HOH 106 33.631 16.904 14.631 1.00 51.19 O HETATM 1266 O HOH 107 38.917 17.364 6.787 1.00 67.76 O HETATM 1267 O HOH 108 46.495 22.028 7.049 1.00 64.19 O HETATM 1268 O HOH 109 47.108 28.382 4.577 1.00 64.85 O HETATM 1269 O HOH 110 48.605 29.972 8.806 1.00 57.19 O HETATM 1270 O HOH 111 51.033 30.614 9.444 1.00 59.99 O HETATM 1271 O HOH 112 51.225 28.958 12.822 1.00 58.50 O HETATM 1272 O HOH 113 59.890 31.262 15.239 1.00 50.57 O HETATM 1273 O HOH 114 61.954 31.685 13.775 1.00 50.63 O HETATM 1274 O HOH 115 62.564 35.767 10.308 1.00 42.74 O HETATM 1275 O HOH 116 63.767 40.246 11.325 1.00 47.66 O HETATM 1276 O HOH 117 62.068 43.780 8.983 1.00 54.66 O HETATM 1277 O HOH 118 62.567 42.504 10.989 1.00 47.29 O HETATM 1278 O HOH 119 59.447 44.757 10.787 1.00 71.40 O HETATM 1279 O HOH 120 44.793 10.983 2.903 1.00 62.21 O HETATM 1280 O HOH 121 47.555 11.629 2.871 1.00 54.11 O HETATM 1281 O HOH 122 45.987 10.787 9.852 1.00 65.86 O HETATM 1282 O HOH 123 57.856 9.202 5.853 1.00 61.20 O HETATM 1283 O HOH 124 62.436 13.123 7.480 1.00 67.97 O HETATM 1284 O HOH 125 59.937 9.581 9.240 1.00 68.30 O HETATM 1285 O HOH 126 65.502 14.277 1.300 1.00 60.02 O HETATM 1286 O HOH 127 67.422 17.506 -5.537 1.00 64.16 O HETATM 1287 O HOH 128 69.698 20.796 9.896 1.00 60.51 O HETATM 1288 O HOH 129 71.911 25.718 3.704 1.00 49.71 O HETATM 1289 O HOH 130 72.756 27.999 5.235 1.00 60.65 O HETATM 1290 O HOH 131 56.632 13.646 -5.559 1.00 65.06 O HETATM 1291 O HOH 132 46.977 19.397 0.829 1.00 64.01 O HETATM 1292 O HOH 133 49.177 24.072 -4.872 1.00 60.28 O HETATM 1293 O HOH 134 48.570 24.836 -2.392 1.00 66.03 O HETATM 1294 O HOH 135 76.440 34.068 8.059 1.00 56.50 O HETATM 1295 O HOH 136 69.734 36.699 11.902 1.00 53.85 O HETATM 1296 O HOH 137 68.124 52.447 4.585 1.00 71.64 O HETATM 1297 O HOH 138 66.248 49.180 6.659 1.00 69.91 O HETATM 1298 O HOH 139 67.958 44.253 -12.806 1.00 56.93 O HETATM 1299 O HOH 140 68.250 45.555 -9.944 1.00 60.20 O HETATM 1300 O HOH 141 71.593 41.306 -10.715 1.00 50.55 O HETATM 1301 O HOH 142 68.525 42.298 -6.780 1.00 62.41 O HETATM 1302 O HOH 143 63.479 39.971 -16.274 1.00 57.62 O HETATM 1303 O HOH 144 62.813 35.252 -14.407 1.00 59.13 O HETATM 1304 O HOH 145 55.201 29.411 -9.571 1.00 59.49 O HETATM 1305 O HOH 146 53.016 16.626 -14.075 1.00 73.14 O HETATM 1306 O HOH 147 75.721 40.067 0.062 1.00 57.53 O HETATM 1307 O HOH 148 77.678 37.853 -2.462 1.00 57.45 O HETATM 1308 O HOH 149 75.942 30.359 9.403 1.00 72.23 O HETATM 1309 O HOH 150 43.483 12.326 0.829 1.00 62.67 O HETATM 1310 O HOH 151 42.345 17.340 2.553 1.00 77.39 O HETATM 1311 O HOH 152 34.333 18.751 1.390 1.00 57.75 O HETATM 1312 O HOH 153 65.064 16.490 -6.601 1.00 61.98 O HETATM 1313 O HOH 154 75.138 30.250 3.171 1.00 47.83 O HETATM 1314 O HOH 155 72.197 27.307 8.238 1.00 60.01 O HETATM 1315 O HOH 156 72.443 21.937 1.660 1.00 54.87 O HETATM 1316 O HOH 157 60.761 13.289 10.032 1.00 63.36 O HETATM 1317 O HOH 158 51.242 28.129 -8.628 1.00 66.75 O HETATM 1318 O HOH 159 49.427 30.900 -3.088 1.00 49.96 O HETATM 1319 O HOH 160 49.038 34.517 1.774 1.00 58.60 O HETATM 1320 O HOH 161 60.079 47.539 10.377 1.00 55.30 O HETATM 1321 O HOH 162 59.971 38.818 11.884 1.00 52.26 O HETATM 1322 O HOH 163 65.055 37.454 14.543 1.00 70.24 O HETATM 1323 O HOH 164 57.996 15.078 -12.904 1.00 59.02 O HETATM 1324 O HOH 165 76.228 33.812 -2.566 1.00 52.95 O HETATM 1325 O HOH 166 73.967 39.447 -4.440 1.00 49.84 O HETATM 1326 O HOH 167 73.501 39.289 -6.925 1.00 63.21 O HETATM 1327 O HOH 168 68.805 48.629 10.167 1.00 62.30 O HETATM 1328 O HOH 169 48.225 28.002 12.505 1.00 67.66 O HETATM 1329 O HOH 170 57.876 10.435 3.211 1.00 60.37 O HETATM 1330 O HOH 171 48.392 21.644 -0.209 1.00 68.34 O HETATM 1331 O HOH 172 62.262 38.203 11.720 1.00 53.99 O HETATM 1332 O HOH 173 52.830 36.079 -4.899 1.00 50.12 O HETATM 1333 O HOH 174 77.977 35.933 0.809 1.00 63.80 O HETATM 1334 O HOH 175 53.687 19.068 -12.570 1.00 67.88 O HETATM 1335 O HOH 176 66.585 30.092 13.352 1.00 54.24 O HETATM 1336 CAA UNN A 177 75.243 44.492 0.347 1.00 -0.06 C HETATM 1337 CAO UNN A 177 74.174 44.464 -0.760 1.00 -0.03 C HETATM 1338 CAP UNN A 177 73.492 43.066 -0.793 1.00 0.07 C HETATM 1339 OAQ UNN A 177 72.071 43.233 -1.018 1.00 -0.31 O HETATM 1340 CAS UNN A 177 71.255 42.117 -0.964 1.00 0.10 C HETATM 1341 CAN UNN A 177 71.740 40.798 -0.784 1.00 -0.00 C HETATM 1342 CAX UNN A 177 70.879 39.759 -0.744 1.00 0.08 C HETATM 1343 NAY UNN A 177 69.561 39.993 -0.893 1.00 -0.22 N HETATM 1344 CAL UNN A 177 69.013 41.284 -1.095 1.00 0.08 C HETATM 1345 CAK UNN A 177 69.888 42.350 -1.115 1.00 0.01 C HETATM 1346 H9 UNN A 177 69.515 43.364 -1.248 1.00 0.06 H HETATM 1347 H10 UNN A 177 67.942 41.429 -1.229 1.00 0.12 H HETATM 1348 CAU UNN A 177 68.877 38.810 -0.864 1.00 0.12 C HETATM 1349 CAR UNN A 177 67.487 38.712 -0.978 1.00 0.13 C HETATM 1350 OAD UNN A 177 66.718 39.692 -1.120 1.00 -0.40 O HETATM 1351 CAB UNN A 177 66.856 37.322 -0.903 1.00 0.01 C HETATM 1352 H11 UNN A 177 65.764 37.409 -1.008 1.00 0.04 H HETATM 1353 H12 UNN A 177 67.096 36.862 0.067 1.00 0.04 H HETATM 1354 H13 UNN A 177 67.254 36.694 -1.714 1.00 0.04 H HETATM 1355 CAM UNN A 177 69.804 37.835 -0.668 1.00 -0.06 C HETATM 1356 CAV UNN A 177 71.044 38.432 -0.615 1.00 -0.03 C HETATM 1357 CAT UNN A 177 72.254 37.789 -0.523 1.00 -0.03 C HETATM 1358 CAI UNN A 177 72.937 37.532 -1.713 1.00 -0.07 C HETATM 1359 CAG UNN A 177 74.153 36.847 -1.766 1.00 -0.07 C HETATM 1360 CAH UNN A 177 74.743 36.356 -0.609 1.00 -0.07 C HETATM 1361 CAJ UNN A 177 74.080 36.599 0.588 1.00 -0.05 C HETATM 1362 CAW UNN A 177 72.869 37.295 0.645 1.00 0.08 C HETATM 1363 SAZ UNN A 177 72.154 37.479 2.247 1.00 -0.01 S HETATM 1364 OAE UNN A 177 73.287 37.131 3.164 1.00 -0.17 O HETATM 1365 OAF UNN A 177 71.702 38.858 2.437 1.00 -0.17 O HETATM 1366 CAC UNN A 177 70.840 36.288 2.415 1.00 0.06 C HETATM 1367 H19 UNN A 177 70.380 36.387 3.409 1.00 0.05 H HETATM 1368 H20 UNN A 177 71.248 35.273 2.299 1.00 0.05 H HETATM 1369 H21 UNN A 177 70.080 36.469 1.640 1.00 0.05 H HETATM 1370 H18 UNN A 177 74.518 36.236 1.511 1.00 0.06 H HETATM 1371 H17 UNN A 177 75.678 35.808 -0.638 1.00 0.05 H HETATM 1372 H16 UNN A 177 74.642 36.697 -2.722 1.00 0.06 H HETATM 1373 H15 UNN A 177 72.502 37.882 -2.642 1.00 0.05 H HETATM 1374 H14 UNN A 177 69.602 36.769 -0.570 1.00 0.04 H HETATM 1375 H8 UNN A 177 72.809 40.622 -0.678 1.00 0.05 H HETATM 1376 H6 UNN A 177 73.654 42.555 0.167 1.00 0.06 H HETATM 1377 H7 UNN A 177 73.925 42.465 -1.606 1.00 0.06 H HETATM 1378 H4 UNN A 177 74.649 44.663 -1.732 1.00 0.03 H HETATM 1379 H5 UNN A 177 73.417 45.236 -0.557 1.00 0.03 H HETATM 1380 H1 UNN A 177 75.723 45.481 0.368 1.00 0.02 H HETATM 1381 H2 UNN A 177 76.001 43.721 0.145 1.00 0.02 H HETATM 1382 H3 UNN A 177 74.769 44.294 1.320 1.00 0.02 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1336 1337 1380 1381 1382 CONECT 1337 1336 1338 1378 1379 CONECT 1338 1337 1339 1376 1377 CONECT 1339 1338 1340 CONECT 1340 1339 1341 1345 CONECT 1341 1340 1342 1375 CONECT 1342 1341 1343 1356 CONECT 1343 1342 1344 1348 CONECT 1344 1343 1345 1347 CONECT 1345 1340 1344 1346 CONECT 1346 1345 CONECT 1347 1344 CONECT 1348 1343 1349 1355 CONECT 1349 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 1352 1353 1354 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1351 CONECT 1355 1348 1356 1374 CONECT 1356 1342 1355 1357 CONECT 1357 1356 1358 1362 CONECT 1358 1357 1359 1373 CONECT 1359 1358 1360 1372 CONECT 1360 1359 1361 1371 CONECT 1361 1360 1362 1370 CONECT 1362 1357 1361 1363 CONECT 1363 1362 1364 1365 1366 CONECT 1364 1363 CONECT 1365 1363 CONECT 1366 1363 1367 1368 1369 CONECT 1367 1366 CONECT 1368 1366 CONECT 1369 1366 CONECT 1370 1361 CONECT 1371 1360 CONECT 1372 1359 CONECT 1373 1358 CONECT 1374 1355 CONECT 1375 1341 CONECT 1376 1338 CONECT 1377 1338 CONECT 1378 1337 CONECT 1379 1337 CONECT 1380 1336 CONECT 1381 1336 CONECT 1382 1336 MASTER 0 0 0 0 0 0 0 0 1381 1 51 9 END
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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
4rvr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
bromodomain of human BAZ2B
Ligand Name
3WQ
EC.Number
E.C.-.-.-.-
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
Kd=136nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59 (4): pp. 1410-1424
Ligand Properties
Formula
C
2
0
H
2
1
NO
4
S
Molecular Weight
371.450
Exact Mass
371.119
No. of atoms
47
No. of bonds
49
Polar Surface Area
73.23
LOGP Value
4.24 (
Computed with XLOGP3
)
5.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C
InChI String
InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
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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