Browse entries in the PDBbind-CN Database
HEADER 4XUB_COMPLEX COMPND 4XUB_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 UNN A 282 47 ATOM 1 N SER A1856 30.100 19.336 11.905 1.00 53.27 N ATOM 2 CA SER A1856 29.524 19.950 13.139 1.00 51.86 C ATOM 3 C SER A1856 29.623 18.945 14.274 1.00 50.95 C ATOM 4 O SER A1856 30.252 17.886 14.112 1.00 51.13 O ATOM 5 CB SER A1856 28.091 20.407 12.902 1.00 52.85 C ATOM 6 OG SER A1856 27.209 19.321 12.969 1.00 52.15 O ATOM 7 HG SER A1856 27.269 18.904 13.865 1.00 0.00 H ATOM 8 HN3 SER A1856 29.565 18.477 11.665 1.00 0.00 H ATOM 9 HN2 SER A1856 31.096 19.090 12.074 1.00 0.00 H ATOM 10 HN1 SER A1856 30.038 20.015 11.120 1.00 0.00 H ATOM 11 N MET A1857 29.045 19.281 15.428 1.00 48.60 N ATOM 12 CA MET A1857 29.215 18.479 16.632 1.00 49.70 C ATOM 13 C MET A1857 28.713 17.054 16.405 1.00 49.57 C ATOM 14 O MET A1857 27.548 16.852 16.038 1.00 48.91 O ATOM 15 CB MET A1857 28.472 19.131 17.804 1.00 49.65 C ATOM 16 CG MET A1857 28.820 18.588 19.147 1.00 52.53 C ATOM 17 SD MET A1857 27.803 19.164 20.523 1.00 52.94 S ATOM 18 CE MET A1857 27.070 20.669 19.928 1.00 51.56 C ATOM 19 H MET A1857 28.457 20.138 15.469 1.00 0.00 H ATOM 20 N SER A1858 29.609 16.090 16.607 1.00 51.54 N ATOM 21 CA SER A1858 29.356 14.660 16.371 1.00 53.61 C ATOM 22 C SER A1858 29.115 14.288 14.890 1.00 52.30 C ATOM 23 O SER A1858 28.536 13.249 14.599 1.00 56.48 O ATOM 24 CB SER A1858 28.233 14.140 17.278 1.00 56.77 C ATOM 25 OG SER A1858 28.527 14.377 18.647 1.00 58.96 O ATOM 26 HG SER A1858 27.787 14.032 19.207 1.00 0.00 H ATOM 27 H SER A1858 30.550 16.366 16.954 1.00 0.00 H ATOM 28 N VAL A1859 29.560 15.129 13.963 1.00 48.86 N ATOM 29 CA VAL A1859 29.380 14.874 12.524 1.00 50.28 C ATOM 30 C VAL A1859 30.715 15.188 11.872 1.00 50.83 C ATOM 31 O VAL A1859 31.013 16.340 11.557 1.00 50.76 O ATOM 32 CB VAL A1859 28.312 15.763 11.858 1.00 51.78 C ATOM 33 CG1 VAL A1859 28.236 15.463 10.353 1.00 55.59 C ATOM 34 CG2 VAL A1859 26.936 15.597 12.514 1.00 54.16 C ATOM 35 H VAL A1859 30.051 15.995 14.263 1.00 0.00 H ATOM 36 N LYS A1860 31.537 14.163 11.697 1.00 53.49 N ATOM 37 CA LYS A1860 32.878 14.359 11.153 1.00 55.10 C ATOM 38 C LYS A1860 32.973 13.909 9.704 1.00 54.73 C ATOM 39 O LYS A1860 32.466 12.843 9.339 1.00 52.45 O ATOM 40 CB LYS A1860 33.920 13.605 11.998 1.00 60.38 C ATOM 41 CG LYS A1860 33.599 12.124 12.185 1.00 65.75 C ATOM 42 CD LYS A1860 34.767 11.296 12.714 1.00 74.96 C ATOM 43 CE LYS A1860 34.485 9.819 12.473 1.00 80.66 C ATOM 44 NZ LYS A1860 35.572 8.939 12.982 1.00 90.71 N ATOM 45 HZ1 LYS A1860 36.463 9.177 12.501 1.00 0.00 H ATOM 46 HZ2 LYS A1860 35.680 9.081 14.007 1.00 0.00 H ATOM 47 HZ3 LYS A1860 35.330 7.946 12.792 1.00 0.00 H ATOM 48 H LYS A1860 31.222 13.205 11.951 1.00 0.00 H ATOM 49 N LYS A1861 33.632 14.727 8.886 1.00 56.35 N ATOM 50 CA LYS A1861 34.020 14.313 7.554 1.00 61.06 C ATOM 51 C LYS A1861 35.119 13.280 7.737 1.00 60.76 C ATOM 52 O LYS A1861 35.894 13.387 8.670 1.00 60.07 O ATOM 53 CB LYS A1861 34.536 15.517 6.747 1.00 66.76 C ATOM 54 CG LYS A1861 34.849 15.202 5.290 1.00 72.86 C ATOM 55 CD LYS A1861 35.530 16.358 4.570 1.00 80.64 C ATOM 56 CE LYS A1861 34.810 17.681 4.802 1.00 83.78 C ATOM 57 NZ LYS A1861 35.095 18.636 3.698 1.00 95.14 N ATOM 58 HZ1 LYS A1861 36.119 18.814 3.651 1.00 0.00 H ATOM 59 HZ2 LYS A1861 34.770 18.230 2.797 1.00 0.00 H ATOM 60 HZ3 LYS A1861 34.595 19.530 3.877 1.00 0.00 H ATOM 61 H LYS A1861 33.873 15.685 9.211 1.00 0.00 H ATOM 62 N PRO A1862 35.168 12.254 6.877 1.00 62.79 N ATOM 63 CA PRO A1862 36.365 11.454 6.979 1.00 66.23 C ATOM 64 C PRO A1862 37.559 12.391 6.741 1.00 70.22 C ATOM 65 O PRO A1862 37.404 13.457 6.126 1.00 70.46 O ATOM 66 CB PRO A1862 36.209 10.420 5.855 1.00 68.81 C ATOM 67 CG PRO A1862 34.773 10.446 5.476 1.00 67.83 C ATOM 68 CD PRO A1862 34.303 11.831 5.763 1.00 65.37 C ATOM 69 N LYS A1863 38.718 12.047 7.268 1.00 75.37 N ATOM 70 CA LYS A1863 39.876 12.923 7.081 1.00 83.88 C ATOM 71 C LYS A1863 41.119 12.198 6.650 1.00 90.79 C ATOM 72 O LYS A1863 41.344 11.036 6.994 1.00 89.35 O ATOM 73 CB LYS A1863 40.156 13.800 8.312 1.00 86.13 C ATOM 74 CG LYS A1863 39.791 15.262 8.096 1.00 86.54 C ATOM 75 CD LYS A1863 40.641 15.902 6.998 1.00 93.84 C ATOM 76 H LYS A1863 38.808 11.164 7.810 1.00 0.00 H ATOM 77 N ARG A1864 41.925 12.933 5.890 1.00 80.06 N ATOM 78 CA ARG A1864 43.108 12.391 5.268 1.00 79.01 C ATOM 79 C ARG A1864 44.078 11.969 6.336 1.00 79.06 C ATOM 80 O ARG A1864 44.159 12.613 7.378 1.00 81.63 O ATOM 81 CB ARG A1864 43.727 13.374 4.273 1.00 75.48 C ATOM 82 CG ARG A1864 44.075 14.745 4.822 1.00 72.91 C ATOM 83 CD ARG A1864 44.718 15.613 3.751 1.00 70.30 C ATOM 84 NE ARG A1864 46.078 15.177 3.415 1.00 68.75 N ATOM 85 CZ ARG A1864 47.137 15.298 4.217 1.00 62.67 C ATOM 86 NH1 ARG A1864 48.316 14.850 3.805 1.00 63.08 N ATOM 87 NH2 ARG A1864 47.027 15.841 5.427 1.00 58.84 N ATOM 88 HE ARG A1864 46.227 14.741 2.483 1.00 0.00 H ATOM 89 HH12 ARG A1864 49.150 14.938 4.420 1.00 0.00 H ATOM 90 HH11 ARG A1864 48.406 14.411 2.867 1.00 0.00 H ATOM 91 HH22 ARG A1864 47.865 15.926 6.037 1.00 0.00 H ATOM 92 HH21 ARG A1864 46.103 16.180 5.763 1.00 0.00 H ATOM 93 H ARG A1864 41.694 13.936 5.738 1.00 0.00 H ATOM 94 N ASP A1865 44.731 10.831 6.100 1.00 79.87 N ATOM 95 CA ASP A1865 45.875 10.398 6.886 1.00 77.40 C ATOM 96 C ASP A1865 46.913 11.513 6.792 1.00 67.34 C ATOM 97 O ASP A1865 47.358 11.849 5.710 1.00 64.20 O ATOM 98 CB ASP A1865 46.440 9.088 6.326 1.00 81.36 C ATOM 99 CG ASP A1865 47.574 8.532 7.160 1.00 82.89 C ATOM 100 OD1 ASP A1865 47.862 9.051 8.261 1.00 80.86 O ATOM 101 OD2 ASP A1865 48.183 7.556 6.700 1.00 87.73 O ATOM 102 H ASP A1865 44.408 10.226 5.319 1.00 0.00 H ATOM 103 N ASP A1866 47.234 12.104 7.933 1.00 63.45 N ATOM 104 CA ASP A1866 48.196 13.205 8.023 1.00 60.14 C ATOM 105 C ASP A1866 49.475 12.778 8.745 1.00 58.28 C ATOM 106 O ASP A1866 50.317 13.628 9.097 1.00 54.78 O ATOM 107 CB ASP A1866 47.574 14.342 8.827 1.00 60.53 C ATOM 108 CG ASP A1866 47.408 13.978 10.287 1.00 64.04 C ATOM 109 OD1 ASP A1866 47.264 12.775 10.585 1.00 69.62 O ATOM 110 OD2 ASP A1866 47.426 14.876 11.135 1.00 66.64 O ATOM 111 H ASP A1866 46.781 11.770 8.808 1.00 0.00 H ATOM 112 N SER A1867 49.607 11.472 8.972 1.00 59.82 N ATOM 113 CA SER A1867 50.728 10.932 9.722 1.00 60.51 C ATOM 114 C SER A1867 52.069 11.126 9.016 1.00 58.18 C ATOM 115 O SER A1867 53.105 11.151 9.672 1.00 56.39 O ATOM 116 CB SER A1867 50.505 9.453 9.979 1.00 65.12 C ATOM 117 OG SER A1867 50.471 8.769 8.747 1.00 67.52 O ATOM 118 HG SER A1867 49.732 9.126 8.193 1.00 0.00 H ATOM 119 H SER A1867 48.887 10.820 8.602 1.00 0.00 H ATOM 120 N LYS A1868 52.049 11.264 7.688 1.00 56.93 N ATOM 121 CA LYS A1868 53.275 11.413 6.913 1.00 55.05 C ATOM 122 C LYS A1868 53.626 12.860 6.601 1.00 50.51 C ATOM 123 O LYS A1868 54.690 13.120 6.057 1.00 49.83 O ATOM 124 CB LYS A1868 53.191 10.597 5.621 1.00 57.53 C ATOM 125 CG LYS A1868 53.012 9.093 5.848 1.00 63.69 C ATOM 126 CD LYS A1868 54.056 8.556 6.825 1.00 66.53 C ATOM 127 CE LYS A1868 54.203 7.029 6.787 1.00 72.56 C ATOM 128 NZ LYS A1868 52.905 6.349 7.039 1.00 74.23 N ATOM 129 HZ1 LYS A1868 52.548 6.622 7.977 1.00 0.00 H ATOM 130 HZ2 LYS A1868 52.219 6.632 6.310 1.00 0.00 H ATOM 131 HZ3 LYS A1868 53.043 5.319 7.006 1.00 0.00 H ATOM 132 H LYS A1868 51.134 11.265 7.193 1.00 0.00 H ATOM 133 N ASP A1869 52.767 13.801 6.984 1.00 46.70 N ATOM 134 CA ASP A1869 52.934 15.190 6.562 1.00 41.40 C ATOM 135 C ASP A1869 54.258 15.792 7.010 1.00 39.85 C ATOM 136 O ASP A1869 54.901 16.520 6.245 1.00 37.72 O ATOM 137 CB ASP A1869 51.779 16.078 7.074 1.00 39.75 C ATOM 138 CG ASP A1869 50.441 15.740 6.432 1.00 43.11 C ATOM 139 OD1 ASP A1869 50.391 14.819 5.594 1.00 43.97 O ATOM 140 OD2 ASP A1869 49.421 16.386 6.785 1.00 43.13 O ATOM 141 H ASP A1869 51.964 13.544 7.593 1.00 0.00 H ATOM 142 N LEU A1870 54.642 15.533 8.259 1.00 42.79 N ATOM 143 CA LEU A1870 55.865 16.118 8.816 1.00 43.82 C ATOM 144 C LEU A1870 57.064 15.713 7.952 1.00 43.86 C ATOM 145 O LEU A1870 57.800 16.567 7.435 1.00 42.77 O ATOM 146 CB LEU A1870 56.047 15.733 10.296 1.00 46.01 C ATOM 147 CG LEU A1870 57.268 16.349 11.011 1.00 47.31 C ATOM 148 CD1 LEU A1870 57.217 17.874 11.016 1.00 43.90 C ATOM 149 CD2 LEU A1870 57.391 15.810 12.441 1.00 50.72 C ATOM 150 H LEU A1870 54.063 14.903 8.850 1.00 0.00 H ATOM 151 N ALA A1871 57.217 14.412 7.761 1.00 45.62 N ATOM 152 CA ALA A1871 58.249 13.863 6.888 1.00 47.92 C ATOM 153 C ALA A1871 58.213 14.401 5.454 1.00 46.30 C ATOM 154 O ALA A1871 59.251 14.699 4.894 1.00 45.85 O ATOM 155 CB ALA A1871 58.163 12.334 6.873 1.00 51.18 C ATOM 156 H ALA A1871 56.577 13.756 8.252 1.00 0.00 H ATOM 157 N LEU A1872 57.028 14.472 4.852 1.00 46.05 N ATOM 158 CA LEU A1872 56.899 14.949 3.474 1.00 44.48 C ATOM 159 C LEU A1872 57.255 16.441 3.339 1.00 40.40 C ATOM 160 O LEU A1872 57.962 16.822 2.416 1.00 40.56 O ATOM 161 CB LEU A1872 55.487 14.665 2.948 1.00 45.52 C ATOM 162 CG LEU A1872 55.132 13.185 2.805 1.00 49.89 C ATOM 163 CD1 LEU A1872 53.630 12.937 2.765 1.00 51.85 C ATOM 164 CD2 LEU A1872 55.784 12.579 1.568 1.00 52.60 C ATOM 165 H LEU A1872 56.175 14.182 5.372 1.00 0.00 H ATOM 166 N CYS A1873 56.789 17.282 4.255 1.00 36.10 N ATOM 167 CA CYS A1873 57.160 18.700 4.220 1.00 33.26 C ATOM 168 C CYS A1873 58.673 18.905 4.424 1.00 34.64 C ATOM 169 O CYS A1873 59.277 19.709 3.735 1.00 33.47 O ATOM 170 CB CYS A1873 56.441 19.495 5.275 1.00 31.51 C ATOM 171 SG CYS A1873 54.676 19.706 4.977 1.00 34.12 S ATOM 172 H CYS A1873 56.156 16.932 5.003 1.00 0.00 H ATOM 173 N SER A1874 59.253 18.168 5.369 1.00 37.80 N ATOM 174 CA SER A1874 60.699 18.158 5.560 1.00 40.53 C ATOM 175 C SER A1874 61.489 17.790 4.261 1.00 42.14 C ATOM 176 O SER A1874 62.504 18.439 3.914 1.00 40.46 O ATOM 177 CB SER A1874 61.018 17.174 6.687 1.00 44.34 C ATOM 178 OG SER A1874 62.394 17.121 6.879 1.00 46.73 O ATOM 179 HG SER A1874 62.600 16.484 7.608 1.00 0.00 H ATOM 180 H SER A1874 58.658 17.582 5.989 1.00 0.00 H ATOM 181 N MET A1875 61.021 16.751 3.567 1.00 43.79 N ATOM 182 CA MET A1875 61.583 16.338 2.277 1.00 47.76 C ATOM 183 C MET A1875 61.451 17.420 1.204 1.00 42.65 C ATOM 184 O MET A1875 62.389 17.650 0.422 1.00 40.92 O ATOM 185 CB MET A1875 60.878 15.088 1.749 1.00 52.38 C ATOM 186 CG MET A1875 61.785 13.935 1.412 1.00 62.74 C ATOM 187 SD MET A1875 60.788 12.548 0.816 1.00 73.31 S ATOM 188 CE MET A1875 60.617 13.017 -0.903 1.00 72.04 C ATOM 189 H MET A1875 60.223 16.211 3.958 1.00 0.00 H ATOM 190 N ILE A1876 60.278 18.042 1.133 1.00 38.99 N ATOM 191 CA ILE A1876 60.081 19.165 0.196 1.00 38.18 C ATOM 192 C ILE A1876 61.057 20.307 0.492 1.00 35.53 C ATOM 193 O ILE A1876 61.752 20.827 -0.404 1.00 33.05 O ATOM 194 CB ILE A1876 58.612 19.650 0.166 1.00 37.94 C ATOM 195 CG1 ILE A1876 57.719 18.540 -0.404 1.00 40.72 C ATOM 196 CG2 ILE A1876 58.487 20.906 -0.682 1.00 38.00 C ATOM 197 CD1 ILE A1876 56.229 18.786 -0.284 1.00 40.37 C ATOM 198 H ILE A1876 59.493 17.735 1.742 1.00 0.00 H ATOM 199 N LEU A1877 61.133 20.669 1.762 1.00 33.11 N ATOM 200 CA LEU A1877 61.984 21.747 2.180 1.00 32.92 C ATOM 201 C LEU A1877 63.434 21.416 1.842 1.00 33.19 C ATOM 202 O LEU A1877 64.110 22.250 1.313 1.00 32.55 O ATOM 203 CB LEU A1877 61.817 22.020 3.689 1.00 32.44 C ATOM 204 CG LEU A1877 62.571 23.237 4.218 1.00 31.33 C ATOM 205 CD1 LEU A1877 62.186 24.546 3.566 1.00 27.59 C ATOM 206 CD2 LEU A1877 62.449 23.316 5.749 1.00 33.66 C ATOM 207 H LEU A1877 60.565 20.163 2.471 1.00 0.00 H ATOM 208 N THR A1878 63.876 20.183 2.094 1.00 35.89 N ATOM 209 CA THR A1878 65.242 19.757 1.752 1.00 39.25 C ATOM 210 C THR A1878 65.528 19.904 0.252 1.00 41.05 C ATOM 211 O THR A1878 66.605 20.326 -0.144 1.00 39.46 O ATOM 212 CB THR A1878 65.452 18.297 2.148 1.00 43.08 C ATOM 213 OG1 THR A1878 65.253 18.167 3.560 1.00 42.26 O ATOM 214 CG2 THR A1878 66.848 17.795 1.739 1.00 47.10 C ATOM 215 HG1 THR A1878 64.332 18.448 3.789 1.00 0.00 H ATOM 216 H THR A1878 63.234 19.501 2.547 1.00 0.00 H ATOM 217 N GLU A1879 64.540 19.566 -0.573 1.00 41.88 N ATOM 218 CA GLU A1879 64.661 19.699 -2.025 1.00 43.10 C ATOM 219 C GLU A1879 64.761 21.161 -2.416 1.00 39.53 C ATOM 220 O GLU A1879 65.556 21.548 -3.274 1.00 41.07 O ATOM 221 CB GLU A1879 63.508 18.986 -2.737 1.00 44.80 C ATOM 222 CG GLU A1879 63.619 17.474 -2.587 1.00 49.22 C ATOM 223 CD GLU A1879 62.321 16.712 -2.840 1.00 52.83 C ATOM 224 OE1 GLU A1879 61.301 17.346 -3.153 1.00 51.61 O ATOM 225 OE2 GLU A1879 62.313 15.462 -2.700 1.00 61.68 O ATOM 226 H GLU A1879 63.654 19.196 -0.173 1.00 0.00 H ATOM 227 N MET A1880 64.028 21.995 -1.717 1.00 37.73 N ATOM 228 CA MET A1880 64.142 23.422 -1.948 1.00 38.53 C ATOM 229 C MET A1880 65.481 23.992 -1.495 1.00 38.29 C ATOM 230 O MET A1880 66.091 24.756 -2.218 1.00 38.62 O ATOM 231 CB MET A1880 62.973 24.135 -1.332 1.00 37.24 C ATOM 232 CG MET A1880 61.759 23.953 -2.253 1.00 39.06 C ATOM 233 SD MET A1880 60.567 25.179 -1.871 1.00 49.14 S ATOM 234 CE MET A1880 60.383 24.951 -0.108 1.00 44.04 C ATOM 235 H MET A1880 63.367 21.634 -1.000 1.00 0.00 H ATOM 236 N GLU A1881 65.921 23.611 -0.306 1.00 39.25 N ATOM 237 CA GLU A1881 67.232 24.055 0.215 1.00 39.35 C ATOM 238 C GLU A1881 68.384 23.682 -0.700 1.00 40.87 C ATOM 239 O GLU A1881 69.369 24.415 -0.752 1.00 40.11 O ATOM 240 CB GLU A1881 67.496 23.460 1.614 1.00 40.02 C ATOM 241 CG GLU A1881 66.592 23.986 2.729 1.00 38.12 C ATOM 242 CD GLU A1881 66.600 23.091 3.958 1.00 40.94 C ATOM 243 OE1 GLU A1881 66.972 21.901 3.870 1.00 46.87 O ATOM 244 OE2 GLU A1881 66.218 23.551 5.042 1.00 44.38 O ATOM 245 H GLU A1881 65.330 22.984 0.276 1.00 0.00 H ATOM 246 N THR A1882 68.294 22.549 -1.405 1.00 41.99 N ATOM 247 CA THR A1882 69.403 22.104 -2.272 1.00 46.49 C ATOM 248 C THR A1882 69.247 22.535 -3.744 1.00 46.40 C ATOM 249 O THR A1882 70.094 22.270 -4.560 1.00 49.83 O ATOM 250 CB THR A1882 69.618 20.566 -2.206 1.00 50.64 C ATOM 251 OG1 THR A1882 68.431 19.900 -2.637 1.00 49.83 O ATOM 252 CG2 THR A1882 69.931 20.117 -0.772 1.00 51.92 C ATOM 253 HG1 THR A1882 67.678 20.154 -2.046 1.00 0.00 H ATOM 254 H THR A1882 67.430 21.973 -1.342 1.00 0.00 H ATOM 255 N HIS A1883 68.150 23.175 -4.090 1.00 44.20 N ATOM 256 CA HIS A1883 68.029 23.811 -5.404 1.00 44.63 C ATOM 257 C HIS A1883 69.087 24.934 -5.630 1.00 44.33 C ATOM 258 O HIS A1883 69.338 25.770 -4.775 1.00 42.23 O ATOM 259 CB HIS A1883 66.632 24.404 -5.505 1.00 43.21 C ATOM 260 CG HIS A1883 66.179 24.712 -6.895 1.00 46.75 C ATOM 261 ND1 HIS A1883 66.877 25.535 -7.746 1.00 50.01 N ATOM 262 CD2 HIS A1883 65.044 24.379 -7.551 1.00 49.41 C ATOM 263 CE1 HIS A1883 66.212 25.677 -8.875 1.00 52.63 C ATOM 264 NE2 HIS A1883 65.098 24.974 -8.786 1.00 52.03 N ATOM 265 H HIS A1883 67.357 23.230 -3.420 1.00 0.00 H ATOM 266 N GLU A1884 69.645 24.960 -6.825 1.00 46.84 N ATOM 267 CA GLU A1884 70.643 25.936 -7.214 1.00 48.77 C ATOM 268 C GLU A1884 70.179 27.389 -7.039 1.00 44.86 C ATOM 269 O GLU A1884 70.955 28.251 -6.674 1.00 45.12 O ATOM 270 CB GLU A1884 71.055 25.646 -8.663 1.00 54.89 C ATOM 271 CG GLU A1884 71.884 26.736 -9.288 1.00 59.75 C ATOM 272 CD GLU A1884 72.214 26.492 -10.750 1.00 64.97 C ATOM 273 OE1 GLU A1884 71.929 25.409 -11.338 1.00 72.30 O ATOM 274 OE2 GLU A1884 72.759 27.442 -11.314 1.00 65.67 O ATOM 275 H GLU A1884 69.354 24.245 -7.522 1.00 0.00 H ATOM 276 N ASP A1885 68.898 27.654 -7.246 1.00 42.09 N ATOM 277 CA ASP A1885 68.335 28.971 -7.109 1.00 38.92 C ATOM 278 C ASP A1885 67.823 29.276 -5.693 1.00 36.68 C ATOM 279 O ASP A1885 67.084 30.231 -5.511 1.00 35.64 O ATOM 280 CB ASP A1885 67.210 29.182 -8.132 1.00 39.58 C ATOM 281 CG ASP A1885 67.701 29.164 -9.606 1.00 44.74 C ATOM 282 OD1 ASP A1885 68.932 29.194 -9.907 1.00 46.34 O ATOM 283 OD2 ASP A1885 66.812 29.119 -10.480 1.00 48.99 O ATOM 284 H ASP A1885 68.269 26.873 -7.521 1.00 0.00 H ATOM 285 N ALA A1886 68.192 28.464 -4.704 1.00 36.38 N ATOM 286 CA ALA A1886 67.753 28.705 -3.328 1.00 33.78 C ATOM 287 C ALA A1886 68.580 29.753 -2.586 1.00 34.29 C ATOM 288 O ALA A1886 68.168 30.182 -1.505 1.00 33.01 O ATOM 289 CB ALA A1886 67.743 27.419 -2.519 1.00 33.48 C ATOM 290 H ALA A1886 68.801 27.647 -4.912 1.00 0.00 H ATOM 291 N TRP A1887 69.725 30.144 -3.140 1.00 36.09 N ATOM 292 CA TRP A1887 70.661 31.034 -2.442 1.00 37.16 C ATOM 293 C TRP A1887 70.061 32.333 -1.903 1.00 34.54 C ATOM 294 O TRP A1887 70.464 32.764 -0.842 1.00 37.52 O ATOM 295 CB TRP A1887 71.952 31.279 -3.249 1.00 40.52 C ATOM 296 CG TRP A1887 71.702 31.931 -4.538 1.00 41.11 C ATOM 297 CD1 TRP A1887 71.490 31.303 -5.719 1.00 42.68 C ATOM 298 CD2 TRP A1887 71.600 33.334 -4.797 1.00 40.51 C ATOM 299 NE1 TRP A1887 71.236 32.213 -6.695 1.00 43.72 N ATOM 300 CE2 TRP A1887 71.294 33.474 -6.168 1.00 43.34 C ATOM 301 CE3 TRP A1887 71.708 34.488 -4.004 1.00 40.17 C ATOM 302 CZ2 TRP A1887 71.125 34.720 -6.783 1.00 42.64 C ATOM 303 CZ3 TRP A1887 71.534 35.730 -4.611 1.00 40.62 C ATOM 304 CH2 TRP A1887 71.237 35.834 -5.991 1.00 42.65 C ATOM 305 HE1 TRP A1887 71.029 31.986 -7.689 1.00 0.00 H ATOM 306 H TRP A1887 69.964 29.809 -4.095 1.00 0.00 H ATOM 307 N PRO A1888 69.058 32.937 -2.577 1.00 33.88 N ATOM 308 CA PRO A1888 68.573 34.149 -1.941 1.00 31.97 C ATOM 309 C PRO A1888 67.789 33.904 -0.653 1.00 31.81 C ATOM 310 O PRO A1888 67.475 34.867 0.034 1.00 29.14 O ATOM 311 CB PRO A1888 67.664 34.783 -3.011 1.00 32.26 C ATOM 312 CG PRO A1888 67.989 34.100 -4.308 1.00 33.82 C ATOM 313 CD PRO A1888 68.404 32.714 -3.885 1.00 34.17 C ATOM 314 N PHE A1889 67.441 32.633 -0.375 1.00 29.11 N ATOM 315 CA PHE A1889 66.391 32.298 0.571 1.00 29.00 C ATOM 316 C PHE A1889 66.860 31.468 1.742 1.00 29.28 C ATOM 317 O PHE A1889 66.037 31.094 2.594 1.00 29.46 O ATOM 318 CB PHE A1889 65.264 31.528 -0.136 1.00 29.28 C ATOM 319 CG PHE A1889 64.776 32.193 -1.373 1.00 28.33 C ATOM 320 CD1 PHE A1889 64.026 33.382 -1.277 1.00 28.34 C ATOM 321 CD2 PHE A1889 65.047 31.671 -2.614 1.00 29.15 C ATOM 322 CE1 PHE A1889 63.636 34.061 -2.401 1.00 28.35 C ATOM 323 CE2 PHE A1889 64.633 32.350 -3.761 1.00 31.30 C ATOM 324 CZ PHE A1889 63.900 33.522 -3.650 1.00 31.20 C ATOM 325 H PHE A1889 67.944 31.861 -0.857 1.00 0.00 H ATOM 326 N LEU A1890 68.150 31.132 1.776 1.00 29.37 N ATOM 327 CA LEU A1890 68.647 30.189 2.765 1.00 33.38 C ATOM 328 C LEU A1890 68.700 30.764 4.185 1.00 33.76 C ATOM 329 O LEU A1890 68.538 30.014 5.157 1.00 33.57 O ATOM 330 CB LEU A1890 70.045 29.686 2.389 1.00 35.00 C ATOM 331 CG LEU A1890 70.143 28.961 1.048 1.00 37.30 C ATOM 332 CD1 LEU A1890 71.599 28.586 0.772 1.00 40.95 C ATOM 333 CD2 LEU A1890 69.263 27.722 1.036 1.00 37.96 C ATOM 334 H LEU A1890 68.808 31.549 1.087 1.00 0.00 H ATOM 335 N LEU A1891 68.957 32.073 4.303 1.00 34.02 N ATOM 336 CA LEU A1891 69.089 32.740 5.596 1.00 33.73 C ATOM 337 C LEU A1891 68.183 33.988 5.619 1.00 33.51 C ATOM 338 O LEU A1891 67.824 34.512 4.565 1.00 33.77 O ATOM 339 CB LEU A1891 70.550 33.129 5.832 1.00 36.20 C ATOM 340 CG LEU A1891 71.641 32.055 5.884 1.00 38.47 C ATOM 341 CD1 LEU A1891 73.020 32.702 5.957 1.00 40.57 C ATOM 342 CD2 LEU A1891 71.419 31.145 7.068 1.00 39.29 C ATOM 343 H LEU A1891 69.067 32.639 3.437 1.00 0.00 H ATOM 344 N PRO A1892 67.828 34.484 6.819 1.00 34.02 N ATOM 345 CA PRO A1892 67.025 35.716 6.817 1.00 34.54 C ATOM 346 C PRO A1892 67.722 36.889 6.086 1.00 34.17 C ATOM 347 O PRO A1892 68.950 36.991 6.109 1.00 31.79 O ATOM 348 CB PRO A1892 66.842 36.052 8.317 1.00 36.70 C ATOM 349 CG PRO A1892 67.320 34.857 9.079 1.00 38.32 C ATOM 350 CD PRO A1892 68.209 34.043 8.170 1.00 36.68 C ATOM 351 N VAL A1893 66.954 37.750 5.417 1.00 33.43 N ATOM 352 CA VAL A1893 67.557 38.975 4.900 1.00 33.68 C ATOM 353 C VAL A1893 68.123 39.773 6.058 1.00 35.59 C ATOM 354 O VAL A1893 67.457 39.984 7.077 1.00 35.36 O ATOM 355 CB VAL A1893 66.555 39.829 4.102 1.00 37.09 C ATOM 356 CG1 VAL A1893 67.226 41.117 3.603 1.00 39.85 C ATOM 357 CG2 VAL A1893 65.990 39.030 2.933 1.00 36.99 C ATOM 358 H VAL A1893 65.944 37.552 5.266 1.00 0.00 H ATOM 359 N ASN A1894 69.382 40.152 5.930 1.00 36.95 N ATOM 360 CA ASN A1894 70.082 40.903 6.939 1.00 42.96 C ATOM 361 C ASN A1894 69.603 42.365 6.955 1.00 44.58 C ATOM 362 O ASN A1894 69.859 43.114 6.028 1.00 42.99 O ATOM 363 CB ASN A1894 71.603 40.817 6.664 1.00 43.65 C ATOM 364 CG ASN A1894 72.439 41.469 7.752 1.00 49.20 C ATOM 365 OD1 ASN A1894 72.048 42.461 8.347 1.00 50.81 O ATOM 366 ND2 ASN A1894 73.622 40.941 7.973 1.00 51.21 N ATOM 367 HD22 ASN A1894 73.921 40.095 7.447 1.00 0.00 H ATOM 368 HD21 ASN A1894 74.260 41.369 8.674 1.00 0.00 H ATOM 369 H ASN A1894 69.891 39.896 5.060 1.00 0.00 H ATOM 370 N LEU A1895 68.942 42.756 8.030 1.00 46.98 N ATOM 371 CA LEU A1895 68.279 44.058 8.100 1.00 52.98 C ATOM 372 C LEU A1895 69.238 45.224 8.243 1.00 58.79 C ATOM 373 O LEU A1895 68.808 46.364 8.125 1.00 62.69 O ATOM 374 CB LEU A1895 67.240 44.106 9.232 1.00 55.38 C ATOM 375 CG LEU A1895 66.145 43.019 9.215 1.00 55.33 C ATOM 376 CD1 LEU A1895 65.214 43.231 10.416 1.00 60.08 C ATOM 377 CD2 LEU A1895 65.361 42.948 7.898 1.00 54.25 C ATOM 378 H LEU A1895 68.892 42.119 8.851 1.00 0.00 H ATOM 379 N LYS A1896 70.519 44.939 8.494 1.00 61.09 N ATOM 380 CA LYS A1896 71.572 45.942 8.445 1.00 67.30 C ATOM 381 C LYS A1896 72.188 46.052 7.052 1.00 65.31 C ATOM 382 O LYS A1896 72.704 47.090 6.699 1.00 67.11 O ATOM 383 CB LYS A1896 72.653 45.616 9.475 1.00 74.05 C ATOM 384 CG LYS A1896 72.091 45.480 10.886 1.00 79.01 C ATOM 385 CD LYS A1896 73.180 45.384 11.945 1.00 87.26 C ATOM 386 CE LYS A1896 72.610 45.623 13.342 1.00 92.57 C ATOM 387 NZ LYS A1896 73.412 45.002 14.438 1.00 96.61 N ATOM 388 HZ1 LYS A1896 73.454 43.973 14.294 1.00 0.00 H ATOM 389 HZ2 LYS A1896 74.375 45.395 14.427 1.00 0.00 H ATOM 390 HZ3 LYS A1896 72.963 45.207 15.353 1.00 0.00 H ATOM 391 H LYS A1896 70.774 43.960 8.734 1.00 0.00 H ATOM 392 N LEU A1897 72.139 44.985 6.267 1.00 59.70 N ATOM 393 CA LEU A1897 72.705 45.004 4.929 1.00 60.43 C ATOM 394 C LEU A1897 71.754 45.543 3.888 1.00 60.36 C ATOM 395 O LEU A1897 72.219 46.022 2.862 1.00 62.10 O ATOM 396 CB LEU A1897 73.113 43.603 4.474 1.00 60.76 C ATOM 397 CG LEU A1897 74.597 43.269 4.332 1.00 65.06 C ATOM 398 CD1 LEU A1897 75.432 43.760 5.520 1.00 70.40 C ATOM 399 CD2 LEU A1897 74.737 41.758 4.149 1.00 61.14 C ATOM 400 H LEU A1897 71.686 44.116 6.616 1.00 0.00 H ATOM 401 N VAL A1898 70.444 45.433 4.105 1.00 53.42 N ATOM 402 CA VAL A1898 69.523 45.721 3.029 1.00 54.40 C ATOM 403 C VAL A1898 68.635 46.927 3.318 1.00 59.14 C ATOM 404 O VAL A1898 67.686 46.783 4.086 1.00 60.54 O ATOM 405 CB VAL A1898 68.676 44.480 2.674 1.00 49.13 C ATOM 406 CG1 VAL A1898 67.853 44.728 1.428 1.00 47.44 C ATOM 407 CG2 VAL A1898 69.594 43.286 2.434 1.00 48.10 C ATOM 408 H VAL A1898 70.088 45.143 5.038 1.00 0.00 H ATOM 409 N PRO A1899 68.937 48.111 2.683 1.00 61.81 N ATOM 410 CA PRO A1899 68.087 49.307 2.814 1.00 63.76 C ATOM 411 C PRO A1899 66.649 49.063 2.359 1.00 59.84 C ATOM 412 O PRO A1899 66.433 48.582 1.223 1.00 56.30 O ATOM 413 CB PRO A1899 68.771 50.365 1.899 1.00 67.68 C ATOM 414 CG PRO A1899 70.153 49.872 1.680 1.00 67.46 C ATOM 415 CD PRO A1899 70.059 48.364 1.752 1.00 62.40 C ATOM 416 N GLY A1900 65.704 49.360 3.262 1.00 56.83 N ATOM 417 CA GLY A1900 64.268 49.213 3.010 1.00 55.88 C ATOM 418 C GLY A1900 63.630 48.002 3.677 1.00 52.59 C ATOM 419 O GLY A1900 62.468 48.062 4.104 1.00 51.91 O ATOM 420 H GLY A1900 66.006 49.714 4.192 1.00 0.00 H ATOM 421 N TYR A1901 64.387 46.915 3.821 1.00 50.67 N ATOM 422 CA TYR A1901 63.753 45.610 4.082 1.00 47.57 C ATOM 423 C TYR A1901 62.861 45.604 5.305 1.00 46.32 C ATOM 424 O TYR A1901 61.694 45.167 5.259 1.00 43.30 O ATOM 425 CB TYR A1901 64.776 44.470 4.217 1.00 46.25 C ATOM 426 CG TYR A1901 64.126 43.197 3.774 1.00 42.04 C ATOM 427 CD1 TYR A1901 63.982 42.915 2.417 1.00 40.41 C ATOM 428 CD2 TYR A1901 63.544 42.348 4.692 1.00 40.94 C ATOM 429 CE1 TYR A1901 63.340 41.752 1.992 1.00 39.29 C ATOM 430 CE2 TYR A1901 62.909 41.190 4.285 1.00 40.86 C ATOM 431 CZ TYR A1901 62.806 40.901 2.936 1.00 37.74 C ATOM 432 OH TYR A1901 62.159 39.740 2.563 1.00 36.35 O ATOM 433 HH TYR A1901 62.162 39.665 1.576 1.00 0.00 H ATOM 434 H TYR A1901 65.422 46.987 3.749 1.00 0.00 H ATOM 435 N LYS A1902 63.426 46.118 6.385 1.00 50.40 N ATOM 436 CA LYS A1902 62.775 46.125 7.699 1.00 52.27 C ATOM 437 C LYS A1902 61.386 46.784 7.643 1.00 52.60 C ATOM 438 O LYS A1902 60.361 46.180 8.009 1.00 50.68 O ATOM 439 CB LYS A1902 63.671 46.868 8.697 1.00 58.82 C ATOM 440 CG LYS A1902 63.390 46.543 10.167 1.00 64.43 C ATOM 441 CD LYS A1902 64.324 47.325 11.091 1.00 71.79 C ATOM 442 CE LYS A1902 64.278 46.862 12.547 1.00 76.91 C ATOM 443 NZ LYS A1902 62.912 46.474 13.015 1.00 78.07 N ATOM 444 HZ1 LYS A1902 62.273 47.290 12.930 1.00 0.00 H ATOM 445 HZ2 LYS A1902 62.556 45.691 12.430 1.00 0.00 H ATOM 446 HZ3 LYS A1902 62.960 46.172 14.009 1.00 0.00 H ATOM 447 H LYS A1902 64.374 46.536 6.298 1.00 0.00 H ATOM 448 N LYS A1903 61.362 48.012 7.129 1.00 50.95 N ATOM 449 CA LYS A1903 60.141 48.794 7.080 1.00 52.57 C ATOM 450 C LYS A1903 59.141 48.232 6.068 1.00 49.43 C ATOM 451 O LYS A1903 57.933 48.285 6.284 1.00 50.10 O ATOM 452 CB LYS A1903 60.487 50.271 6.760 1.00 55.46 C ATOM 453 CG LYS A1903 59.299 51.203 6.683 1.00 59.01 C ATOM 454 CD LYS A1903 58.656 51.403 8.044 1.00 61.25 C ATOM 455 CE LYS A1903 57.500 52.382 8.012 1.00 65.13 C ATOM 456 NZ LYS A1903 57.969 53.768 8.060 1.00 69.23 N ATOM 457 HZ1 LYS A1903 58.506 53.921 8.937 1.00 0.00 H ATOM 458 HZ2 LYS A1903 58.581 53.954 7.240 1.00 0.00 H ATOM 459 HZ3 LYS A1903 57.151 54.410 8.036 1.00 0.00 H ATOM 460 H LYS A1903 62.241 48.421 6.753 1.00 0.00 H ATOM 461 N VAL A1904 59.641 47.733 4.944 1.00 46.45 N ATOM 462 CA VAL A1904 58.779 47.342 3.852 1.00 46.94 C ATOM 463 C VAL A1904 58.168 45.946 4.063 1.00 44.63 C ATOM 464 O VAL A1904 56.999 45.742 3.769 1.00 45.14 O ATOM 465 CB VAL A1904 59.530 47.407 2.493 1.00 45.86 C ATOM 466 CG1 VAL A1904 58.705 46.756 1.383 1.00 44.86 C ATOM 467 CG2 VAL A1904 59.864 48.853 2.152 1.00 49.90 C ATOM 468 H VAL A1904 60.671 47.622 4.848 1.00 0.00 H ATOM 469 N ILE A1905 58.942 44.996 4.568 1.00 44.51 N ATOM 470 CA ILE A1905 58.469 43.591 4.648 1.00 42.28 C ATOM 471 C ILE A1905 58.061 43.290 6.081 1.00 43.33 C ATOM 472 O ILE A1905 58.913 43.131 6.948 1.00 41.74 O ATOM 473 CB ILE A1905 59.558 42.618 4.173 1.00 41.70 C ATOM 474 CG1 ILE A1905 59.897 42.884 2.703 1.00 40.78 C ATOM 475 CG2 ILE A1905 59.150 41.158 4.406 1.00 38.38 C ATOM 476 CD1 ILE A1905 58.753 42.659 1.725 1.00 41.27 C ATOM 477 H ILE A1905 59.893 45.238 4.913 1.00 0.00 H ATOM 478 N LYS A1906 56.754 43.246 6.323 1.00 45.18 N ATOM 479 CA LYS A1906 56.250 43.152 7.682 1.00 49.95 C ATOM 480 C LYS A1906 56.527 41.814 8.333 1.00 45.97 C ATOM 481 O LYS A1906 56.692 41.765 9.542 1.00 45.59 O ATOM 482 CB LYS A1906 54.735 43.409 7.742 1.00 55.32 C ATOM 483 CG LYS A1906 54.287 44.758 7.190 1.00 61.90 C ATOM 484 CD LYS A1906 55.198 45.918 7.553 1.00 65.81 C ATOM 485 CE LYS A1906 54.477 47.232 7.275 1.00 73.91 C ATOM 486 NZ LYS A1906 55.425 48.306 6.876 1.00 77.74 N ATOM 487 HZ1 LYS A1906 56.110 48.464 7.642 1.00 0.00 H ATOM 488 HZ2 LYS A1906 55.928 48.019 6.012 1.00 0.00 H ATOM 489 HZ3 LYS A1906 54.897 49.184 6.696 1.00 0.00 H ATOM 490 H LYS A1906 56.084 43.279 5.528 1.00 0.00 H ATOM 491 N LYS A1907 56.534 40.742 7.540 1.00 42.93 N ATOM 492 CA LYS A1907 56.717 39.392 8.053 1.00 40.20 C ATOM 493 C LYS A1907 57.777 38.671 7.235 1.00 37.07 C ATOM 494 O LYS A1907 57.453 37.931 6.300 1.00 34.23 O ATOM 495 CB LYS A1907 55.407 38.632 8.028 1.00 43.88 C ATOM 496 CG LYS A1907 54.427 39.071 9.113 1.00 52.58 C ATOM 497 CD LYS A1907 52.998 38.640 8.812 1.00 60.37 C ATOM 498 CE LYS A1907 52.817 37.117 8.698 1.00 62.51 C ATOM 499 NZ LYS A1907 52.256 36.784 7.332 1.00 67.23 N ATOM 500 HZ1 LYS A1907 51.337 37.256 7.212 1.00 0.00 H ATOM 501 HZ2 LYS A1907 52.915 37.114 6.598 1.00 0.00 H ATOM 502 HZ3 LYS A1907 52.132 35.755 7.251 1.00 0.00 H ATOM 503 H LYS A1907 56.404 40.875 6.517 1.00 0.00 H ATOM 504 N PRO A1908 59.052 38.896 7.579 1.00 34.64 N ATOM 505 CA PRO A1908 60.110 38.216 6.895 1.00 32.64 C ATOM 506 C PRO A1908 60.016 36.714 7.136 1.00 30.82 C ATOM 507 O PRO A1908 59.580 36.274 8.204 1.00 29.71 O ATOM 508 CB PRO A1908 61.370 38.768 7.554 1.00 33.23 C ATOM 509 CG PRO A1908 60.998 40.134 7.996 1.00 38.74 C ATOM 510 CD PRO A1908 59.563 39.982 8.444 1.00 39.83 C ATOM 511 N MET A1909 60.456 35.952 6.148 1.00 28.70 N ATOM 512 CA MET A1909 60.552 34.515 6.265 1.00 28.10 C ATOM 513 C MET A1909 61.636 34.024 5.316 1.00 28.89 C ATOM 514 O MET A1909 61.953 34.701 4.332 1.00 28.49 O ATOM 515 CB MET A1909 59.188 33.877 5.979 1.00 25.60 C ATOM 516 CG MET A1909 59.140 32.381 6.233 1.00 25.76 C ATOM 517 SD MET A1909 59.635 31.902 7.892 1.00 29.10 S ATOM 518 CE MET A1909 58.561 32.987 8.858 1.00 32.75 C ATOM 519 H MET A1909 60.743 36.403 5.256 1.00 0.00 H ATOM 520 N ASP A1910 62.212 32.861 5.630 1.00 27.98 N ATOM 521 CA ASP A1910 63.297 32.248 4.844 1.00 28.15 C ATOM 522 C ASP A1910 63.403 30.747 5.168 1.00 27.81 C ATOM 523 O ASP A1910 62.847 30.297 6.168 1.00 29.51 O ATOM 524 CB ASP A1910 64.644 32.879 5.160 1.00 28.89 C ATOM 525 CG ASP A1910 65.140 32.487 6.527 1.00 32.06 C ATOM 526 OD1 ASP A1910 64.556 32.995 7.518 1.00 32.77 O ATOM 527 OD2 ASP A1910 66.092 31.683 6.618 1.00 34.09 O ATOM 528 H ASP A1910 61.876 32.360 6.477 1.00 0.00 H ATOM 529 N PHE A1911 64.131 29.990 4.334 1.00 26.50 N ATOM 530 CA PHE A1911 64.184 28.527 4.481 1.00 26.73 C ATOM 531 C PHE A1911 64.680 28.070 5.839 1.00 27.45 C ATOM 532 O PHE A1911 64.113 27.144 6.400 1.00 29.20 O ATOM 533 CB PHE A1911 64.955 27.842 3.356 1.00 27.23 C ATOM 534 CG PHE A1911 64.346 28.007 1.973 1.00 27.32 C ATOM 535 CD1 PHE A1911 63.077 28.538 1.774 1.00 29.65 C ATOM 536 CD2 PHE A1911 65.046 27.601 0.866 1.00 29.57 C ATOM 537 CE1 PHE A1911 62.541 28.647 0.490 1.00 30.98 C ATOM 538 CE2 PHE A1911 64.546 27.762 -0.409 1.00 28.90 C ATOM 539 CZ PHE A1911 63.285 28.283 -0.596 1.00 28.43 C ATOM 540 H PHE A1911 64.668 30.446 3.569 1.00 0.00 H ATOM 541 N SER A1912 65.709 28.705 6.379 1.00 28.26 N ATOM 542 CA SER A1912 66.247 28.301 7.664 1.00 30.44 C ATOM 543 C SER A1912 65.268 28.537 8.830 1.00 29.87 C ATOM 544 O SER A1912 65.224 27.744 9.769 1.00 31.35 O ATOM 545 CB SER A1912 67.589 28.988 7.943 1.00 33.00 C ATOM 546 OG SER A1912 67.394 30.343 8.326 1.00 34.09 O ATOM 547 HG SER A1912 66.933 30.828 7.596 1.00 0.00 H ATOM 548 H SER A1912 66.138 29.506 5.874 1.00 0.00 H ATOM 549 N THR A1913 64.472 29.597 8.743 1.00 27.80 N ATOM 550 CA THR A1913 63.474 29.906 9.740 1.00 29.67 C ATOM 551 C THR A1913 62.360 28.890 9.619 1.00 29.79 C ATOM 552 O THR A1913 61.950 28.305 10.617 1.00 32.78 O ATOM 553 CB THR A1913 62.988 31.353 9.649 1.00 28.53 C ATOM 554 OG1 THR A1913 64.131 32.198 9.811 1.00 29.37 O ATOM 555 CG2 THR A1913 61.968 31.666 10.772 1.00 29.59 C ATOM 556 HG1 THR A1913 64.786 32.006 9.094 1.00 0.00 H ATOM 557 H THR A1913 64.572 30.230 7.924 1.00 0.00 H ATOM 558 N ILE A1914 61.964 28.571 8.400 1.00 27.64 N ATOM 559 CA ILE A1914 61.023 27.466 8.201 1.00 27.65 C ATOM 560 C ILE A1914 61.577 26.136 8.732 1.00 29.42 C ATOM 561 O ILE A1914 60.864 25.361 9.343 1.00 29.31 O ATOM 562 CB ILE A1914 60.621 27.322 6.712 1.00 26.08 C ATOM 563 CG1 ILE A1914 59.943 28.590 6.232 1.00 24.81 C ATOM 564 CG2 ILE A1914 59.704 26.104 6.471 1.00 25.79 C ATOM 565 CD1 ILE A1914 59.854 28.687 4.748 1.00 25.29 C ATOM 566 H ILE A1914 62.320 29.104 7.581 1.00 0.00 H ATOM 567 N ARG A1915 62.863 25.856 8.520 1.00 30.97 N ATOM 568 CA ARG A1915 63.403 24.595 8.957 1.00 32.98 C ATOM 569 C ARG A1915 63.385 24.498 10.496 1.00 35.83 C ATOM 570 O ARG A1915 63.028 23.450 11.074 1.00 35.89 O ATOM 571 CB ARG A1915 64.797 24.390 8.406 1.00 33.89 C ATOM 572 CG ARG A1915 65.557 23.234 9.002 1.00 38.76 C ATOM 573 CD ARG A1915 65.015 21.891 8.561 1.00 39.80 C ATOM 574 NE ARG A1915 65.356 21.568 7.170 1.00 41.20 N ATOM 575 CZ ARG A1915 64.787 20.573 6.495 1.00 44.24 C ATOM 576 NH1 ARG A1915 63.873 19.815 7.079 1.00 44.07 N ATOM 577 NH2 ARG A1915 65.129 20.324 5.239 1.00 47.20 N ATOM 578 HE ARG A1915 66.076 22.144 6.690 1.00 0.00 H ATOM 579 HH12 ARG A1915 63.428 19.037 6.551 1.00 0.00 H ATOM 580 HH11 ARG A1915 63.600 19.997 8.066 1.00 0.00 H ATOM 581 HH22 ARG A1915 64.677 19.543 4.722 1.00 0.00 H ATOM 582 HH21 ARG A1915 65.850 20.909 4.770 1.00 0.00 H ATOM 583 H ARG A1915 63.475 26.547 8.040 1.00 0.00 H ATOM 584 N GLU A1916 63.754 25.586 11.150 1.00 36.32 N ATOM 585 CA GLU A1916 63.708 25.638 12.602 1.00 38.93 C ATOM 586 C GLU A1916 62.282 25.412 13.120 1.00 38.84 C ATOM 587 O GLU A1916 62.073 24.634 14.044 1.00 40.49 O ATOM 588 CB GLU A1916 64.251 26.975 13.121 1.00 42.09 C ATOM 589 CG GLU A1916 64.391 27.007 14.639 1.00 49.46 C ATOM 590 CD GLU A1916 65.270 25.888 15.198 1.00 56.69 C ATOM 591 OE1 GLU A1916 66.314 25.581 14.573 1.00 64.49 O ATOM 592 OE2 GLU A1916 64.945 25.324 16.283 1.00 61.05 O ATOM 593 H GLU A1916 64.082 26.417 10.618 1.00 0.00 H ATOM 594 N LYS A1917 61.316 26.105 12.522 1.00 35.74 N ATOM 595 CA LYS A1917 59.927 25.979 12.925 1.00 36.92 C ATOM 596 C LYS A1917 59.385 24.542 12.719 1.00 37.28 C ATOM 597 O LYS A1917 58.713 23.988 13.587 1.00 39.68 O ATOM 598 CB LYS A1917 59.092 26.970 12.163 1.00 34.85 C ATOM 599 CG LYS A1917 59.341 28.424 12.521 1.00 34.80 C ATOM 600 CD LYS A1917 58.453 29.357 11.713 1.00 33.41 C ATOM 601 CE LYS A1917 56.988 29.162 12.068 1.00 35.10 C ATOM 602 NZ LYS A1917 56.142 30.281 11.556 1.00 35.67 N ATOM 603 HZ1 LYS A1917 56.464 31.177 11.974 1.00 0.00 H ATOM 604 HZ2 LYS A1917 56.225 30.331 10.520 1.00 0.00 H ATOM 605 HZ3 LYS A1917 55.150 30.112 11.818 1.00 0.00 H ATOM 606 H LYS A1917 61.562 26.753 11.747 1.00 0.00 H ATOM 607 N LEU A1918 59.724 23.942 11.582 1.00 36.93 N ATOM 608 CA LEU A1918 59.401 22.544 11.296 1.00 39.21 C ATOM 609 C LEU A1918 60.020 21.537 12.287 1.00 42.05 C ATOM 610 O LEU A1918 59.318 20.672 12.794 1.00 46.42 O ATOM 611 CB LEU A1918 59.787 22.189 9.847 1.00 38.55 C ATOM 612 CG LEU A1918 59.169 20.907 9.256 1.00 40.17 C ATOM 613 CD1 LEU A1918 57.652 20.970 9.214 1.00 38.10 C ATOM 614 CD2 LEU A1918 59.699 20.663 7.847 1.00 41.39 C ATOM 615 H LEU A1918 60.241 24.490 10.865 1.00 0.00 H ATOM 616 N SER A1919 61.316 21.686 12.560 1.00 43.04 N ATOM 617 CA SER A1919 62.075 20.844 13.460 1.00 45.29 C ATOM 618 C SER A1919 61.602 20.900 14.922 1.00 45.94 C ATOM 619 O SER A1919 61.921 20.012 15.714 1.00 46.97 O ATOM 620 CB SER A1919 63.554 21.243 13.433 1.00 47.51 C ATOM 621 OG SER A1919 64.219 20.644 12.353 1.00 50.05 O ATOM 622 HG SER A1919 65.170 20.918 12.360 1.00 0.00 H ATOM 623 H SER A1919 61.820 22.466 12.091 1.00 0.00 H ATOM 624 N SER A1920 60.879 21.966 15.263 1.00 43.26 N ATOM 625 CA SER A1920 60.490 22.266 16.638 1.00 43.71 C ATOM 626 C SER A1920 58.967 22.309 16.861 1.00 42.51 C ATOM 627 O SER A1920 58.490 22.799 17.898 1.00 42.70 O ATOM 628 CB SER A1920 61.120 23.589 17.074 1.00 42.49 C ATOM 629 OG SER A1920 60.623 24.660 16.300 1.00 38.91 O ATOM 630 HG SER A1920 60.837 24.503 15.346 1.00 0.00 H ATOM 631 H SER A1920 60.576 22.618 14.511 1.00 0.00 H ATOM 632 N GLY A1921 58.204 21.746 15.930 1.00 40.25 N ATOM 633 CA GLY A1921 56.780 21.552 16.155 1.00 39.64 C ATOM 634 C GLY A1921 55.987 22.836 16.152 1.00 39.29 C ATOM 635 O GLY A1921 54.930 22.936 16.801 1.00 40.96 O ATOM 636 H GLY A1921 58.629 21.441 15.031 1.00 0.00 H ATOM 637 N GLN A1922 56.448 23.815 15.390 1.00 38.02 N ATOM 638 CA GLN A1922 55.738 25.083 15.338 1.00 40.36 C ATOM 639 C GLN A1922 54.721 25.191 14.188 1.00 39.83 C ATOM 640 O GLN A1922 54.047 26.217 14.066 1.00 41.65 O ATOM 641 CB GLN A1922 56.739 26.252 15.329 1.00 41.30 C ATOM 642 CG GLN A1922 57.420 26.463 16.694 1.00 45.94 C ATOM 643 CD GLN A1922 58.510 27.512 16.611 1.00 46.98 C ATOM 644 OE1 GLN A1922 58.233 28.665 16.372 1.00 50.86 O ATOM 645 NE2 GLN A1922 59.752 27.101 16.752 1.00 49.48 N ATOM 646 HE22 GLN A1922 59.949 26.101 16.957 1.00 0.00 H ATOM 647 HE21 GLN A1922 60.537 27.777 16.658 1.00 0.00 H ATOM 648 H GLN A1922 57.314 23.678 14.831 1.00 0.00 H ATOM 649 N TYR A1923 54.590 24.146 13.358 1.00 38.81 N ATOM 650 CA TYR A1923 53.519 24.122 12.340 1.00 36.50 C ATOM 651 C TYR A1923 52.435 23.166 12.771 1.00 39.40 C ATOM 652 O TYR A1923 52.699 21.979 12.892 1.00 40.74 O ATOM 653 CB TYR A1923 54.070 23.738 10.952 1.00 34.28 C ATOM 654 CG TYR A1923 54.958 24.802 10.364 1.00 31.78 C ATOM 655 CD1 TYR A1923 54.480 26.082 10.102 1.00 31.63 C ATOM 656 CD2 TYR A1923 56.278 24.535 10.077 1.00 31.62 C ATOM 657 CE1 TYR A1923 55.314 27.061 9.600 1.00 31.22 C ATOM 658 CE2 TYR A1923 57.102 25.489 9.567 1.00 30.20 C ATOM 659 CZ TYR A1923 56.611 26.740 9.310 1.00 29.60 C ATOM 660 OH TYR A1923 57.467 27.667 8.868 1.00 27.65 O ATOM 661 HH TYR A1923 56.984 28.519 8.724 1.00 0.00 H ATOM 662 H TYR A1923 55.249 23.344 13.431 1.00 0.00 H ATOM 663 N PRO A1924 51.217 23.680 13.046 1.00 38.55 N ATOM 664 CA PRO A1924 50.179 22.810 13.493 1.00 42.83 C ATOM 665 C PRO A1924 49.729 21.849 12.406 1.00 42.95 C ATOM 666 O PRO A1924 49.282 20.754 12.732 1.00 42.40 O ATOM 667 CB PRO A1924 49.026 23.744 13.902 1.00 44.82 C ATOM 668 CG PRO A1924 49.474 25.118 13.678 1.00 43.63 C ATOM 669 CD PRO A1924 50.840 25.103 13.080 1.00 40.37 C ATOM 670 N ASN A1925 49.894 22.240 11.138 1.00 39.71 N ATOM 671 CA ASN A1925 49.455 21.423 10.033 1.00 40.78 C ATOM 672 C ASN A1925 50.163 21.843 8.734 1.00 39.11 C ATOM 673 O ASN A1925 50.924 22.837 8.687 1.00 34.75 O ATOM 674 CB ASN A1925 47.929 21.565 9.894 1.00 41.73 C ATOM 675 CG ASN A1925 47.530 22.988 9.616 1.00 42.35 C ATOM 676 OD1 ASN A1925 48.081 23.627 8.714 1.00 41.88 O ATOM 677 ND2 ASN A1925 46.607 23.506 10.387 1.00 44.11 N ATOM 678 HD22 ASN A1925 46.170 22.930 11.134 1.00 0.00 H ATOM 679 HD21 ASN A1925 46.311 24.494 10.252 1.00 0.00 H ATOM 680 H ASN A1925 50.350 23.155 10.944 1.00 0.00 H ATOM 681 N LEU A1926 49.911 21.076 7.683 1.00 39.69 N ATOM 682 CA LEU A1926 50.471 21.279 6.329 1.00 39.14 C ATOM 683 C LEU A1926 50.320 22.683 5.796 1.00 36.49 C ATOM 684 O LEU A1926 51.176 23.247 5.154 1.00 32.87 O ATOM 685 CB LEU A1926 49.684 20.410 5.336 1.00 42.71 C ATOM 686 CG LEU A1926 50.154 18.990 5.193 1.00 44.33 C ATOM 687 CD1 LEU A1926 49.477 18.364 3.987 1.00 47.53 C ATOM 688 CD2 LEU A1926 51.651 19.006 5.036 1.00 43.78 C ATOM 689 H LEU A1926 49.270 20.269 7.821 1.00 0.00 H ATOM 690 N GLU A1927 49.119 23.202 5.971 1.00 38.05 N ATOM 691 CA GLU A1927 48.773 24.469 5.363 1.00 38.61 C ATOM 692 C GLU A1927 49.554 25.624 5.961 1.00 34.23 C ATOM 693 O GLU A1927 49.851 26.579 5.260 1.00 34.54 O ATOM 694 CB GLU A1927 47.283 24.702 5.487 1.00 44.08 C ATOM 695 CG GLU A1927 46.434 23.582 4.837 1.00 51.40 C ATOM 696 CD GLU A1927 46.809 23.247 3.375 1.00 54.01 C ATOM 697 OE1 GLU A1927 47.325 24.120 2.634 1.00 53.71 O ATOM 698 OE2 GLU A1927 46.558 22.095 2.946 1.00 60.81 O ATOM 699 H GLU A1927 48.417 22.697 6.549 1.00 0.00 H ATOM 700 N THR A1928 49.850 25.562 7.259 1.00 33.49 N ATOM 701 CA THR A1928 50.588 26.633 7.902 1.00 32.97 C ATOM 702 C THR A1928 52.002 26.577 7.386 1.00 29.32 C ATOM 703 O THR A1928 52.645 27.616 7.206 1.00 29.69 O ATOM 704 CB THR A1928 50.539 26.563 9.444 1.00 34.68 C ATOM 705 OG1 THR A1928 51.017 25.289 9.905 1.00 33.87 O ATOM 706 CG2 THR A1928 49.099 26.786 9.914 1.00 36.52 C ATOM 707 HG1 THR A1928 50.448 24.570 9.532 1.00 0.00 H ATOM 708 H THR A1928 49.549 24.737 7.817 1.00 0.00 H ATOM 709 N PHE A1929 52.471 25.374 7.069 1.00 28.85 N ATOM 710 CA PHE A1929 53.820 25.230 6.441 1.00 28.57 C ATOM 711 C PHE A1929 53.842 25.859 5.019 1.00 28.18 C ATOM 712 O PHE A1929 54.703 26.649 4.701 1.00 29.88 O ATOM 713 CB PHE A1929 54.189 23.748 6.387 1.00 29.40 C ATOM 714 CG PHE A1929 55.404 23.466 5.558 1.00 28.30 C ATOM 715 CD1 PHE A1929 56.667 23.614 6.083 1.00 28.87 C ATOM 716 CD2 PHE A1929 55.271 23.041 4.238 1.00 28.06 C ATOM 717 CE1 PHE A1929 57.796 23.374 5.288 1.00 29.30 C ATOM 718 CE2 PHE A1929 56.378 22.781 3.448 1.00 29.69 C ATOM 719 CZ PHE A1929 57.647 22.946 3.969 1.00 28.50 C ATOM 720 H PHE A1929 51.896 24.528 7.259 1.00 0.00 H ATOM 721 N ALA A1930 52.844 25.559 4.198 1.00 29.91 N ATOM 722 CA ALA A1930 52.762 26.124 2.854 1.00 29.65 C ATOM 723 C ALA A1930 52.606 27.649 2.883 1.00 31.16 C ATOM 724 O ALA A1930 53.165 28.321 1.992 1.00 32.34 O ATOM 725 CB ALA A1930 51.635 25.486 2.063 1.00 30.87 C ATOM 726 H ALA A1930 52.102 24.905 4.520 1.00 0.00 H ATOM 727 N LEU A1931 51.919 28.196 3.903 1.00 30.98 N ATOM 728 CA LEU A1931 51.768 29.650 4.032 1.00 31.77 C ATOM 729 C LEU A1931 53.128 30.328 4.236 1.00 30.58 C ATOM 730 O LEU A1931 53.431 31.336 3.566 1.00 30.39 O ATOM 731 CB LEU A1931 50.800 30.041 5.143 1.00 36.93 C ATOM 732 CG LEU A1931 49.326 29.743 4.833 1.00 40.61 C ATOM 733 CD1 LEU A1931 48.474 29.846 6.100 1.00 45.74 C ATOM 734 CD2 LEU A1931 48.757 30.666 3.754 1.00 44.30 C ATOM 735 H LEU A1931 51.486 27.575 4.615 1.00 0.00 H ATOM 736 N ASP A1932 53.955 29.734 5.082 1.00 29.18 N ATOM 737 CA ASP A1932 55.335 30.260 5.307 1.00 28.34 C ATOM 738 C ASP A1932 56.193 30.166 4.054 1.00 27.33 C ATOM 739 O ASP A1932 56.912 31.091 3.776 1.00 30.25 O ATOM 740 CB ASP A1932 56.028 29.623 6.504 1.00 26.58 C ATOM 741 CG ASP A1932 55.878 30.418 7.792 1.00 30.25 C ATOM 742 OD1 ASP A1932 55.224 31.499 7.804 1.00 34.10 O ATOM 743 OD2 ASP A1932 56.466 29.963 8.808 1.00 29.26 O ATOM 744 H ASP A1932 53.639 28.888 5.598 1.00 0.00 H ATOM 745 N VAL A1933 56.150 29.042 3.326 1.00 26.93 N ATOM 746 CA VAL A1933 56.874 28.907 2.063 1.00 27.16 C ATOM 747 C VAL A1933 56.410 29.983 1.069 1.00 27.77 C ATOM 748 O VAL A1933 57.220 30.668 0.463 1.00 26.83 O ATOM 749 CB VAL A1933 56.776 27.495 1.452 1.00 28.48 C ATOM 750 CG1 VAL A1933 57.494 27.451 0.101 1.00 29.38 C ATOM 751 CG2 VAL A1933 57.420 26.437 2.378 1.00 29.67 C ATOM 752 H VAL A1933 55.584 28.240 3.670 1.00 0.00 H ATOM 753 N ARG A1934 55.104 30.157 0.916 1.00 28.85 N ATOM 754 CA ARG A1934 54.589 31.146 -0.011 1.00 30.06 C ATOM 755 C ARG A1934 54.987 32.559 0.419 1.00 32.09 C ATOM 756 O ARG A1934 55.296 33.398 -0.436 1.00 31.74 O ATOM 757 CB ARG A1934 53.075 30.985 -0.160 1.00 30.54 C ATOM 758 CG ARG A1934 52.738 29.697 -0.904 1.00 31.74 C ATOM 759 CD ARG A1934 51.246 29.350 -0.909 1.00 33.04 C ATOM 760 NE ARG A1934 51.103 28.046 -1.551 1.00 35.77 N ATOM 761 CZ ARG A1934 50.180 27.131 -1.282 1.00 39.53 C ATOM 762 NH1 ARG A1934 49.239 27.354 -0.349 1.00 40.50 N ATOM 763 NH2 ARG A1934 50.193 25.978 -1.972 1.00 39.97 N ATOM 764 HE ARG A1934 51.793 27.811 -2.293 1.00 0.00 H ATOM 765 HH12 ARG A1934 48.522 26.627 -0.149 1.00 0.00 H ATOM 766 HH11 ARG A1934 49.227 28.253 0.173 1.00 0.00 H ATOM 767 HH22 ARG A1934 49.479 25.247 -1.777 1.00 0.00 H ATOM 768 HH21 ARG A1934 50.917 25.816 -2.701 1.00 0.00 H ATOM 769 H ARG A1934 54.441 29.577 1.468 1.00 0.00 H ATOM 770 N LEU A1935 55.071 32.792 1.731 1.00 30.54 N ATOM 771 CA LEU A1935 55.440 34.097 2.277 1.00 29.61 C ATOM 772 C LEU A1935 56.848 34.465 1.832 1.00 29.00 C ATOM 773 O LEU A1935 57.129 35.622 1.510 1.00 27.58 O ATOM 774 CB LEU A1935 55.381 34.082 3.806 1.00 30.53 C ATOM 775 CG LEU A1935 55.740 35.332 4.632 1.00 31.47 C ATOM 776 CD1 LEU A1935 54.885 36.548 4.248 1.00 35.03 C ATOM 777 CD2 LEU A1935 55.612 35.063 6.129 1.00 30.59 C ATOM 778 H LEU A1935 54.866 32.014 2.391 1.00 0.00 H ATOM 779 N VAL A1936 57.736 33.488 1.830 1.00 27.69 N ATOM 780 CA VAL A1936 59.096 33.709 1.309 1.00 27.17 C ATOM 781 C VAL A1936 59.027 34.304 -0.116 1.00 29.33 C ATOM 782 O VAL A1936 59.653 35.323 -0.424 1.00 28.30 O ATOM 783 CB VAL A1936 59.916 32.405 1.271 1.00 26.14 C ATOM 784 CG1 VAL A1936 61.278 32.649 0.610 1.00 28.56 C ATOM 785 CG2 VAL A1936 60.187 31.829 2.649 1.00 26.16 C ATOM 786 H VAL A1936 57.473 32.552 2.200 1.00 0.00 H ATOM 787 N PHE A1937 58.215 33.706 -0.979 1.00 28.47 N ATOM 788 CA PHE A1937 58.198 34.139 -2.395 1.00 29.96 C ATOM 789 C PHE A1937 57.422 35.433 -2.627 1.00 31.91 C ATOM 790 O PHE A1937 57.856 36.269 -3.427 1.00 32.34 O ATOM 791 CB PHE A1937 57.770 32.991 -3.291 1.00 30.24 C ATOM 792 CG PHE A1937 58.616 31.749 -3.078 1.00 29.65 C ATOM 793 CD1 PHE A1937 59.998 31.854 -3.009 1.00 29.73 C ATOM 794 CD2 PHE A1937 58.036 30.494 -2.912 1.00 29.77 C ATOM 795 CE1 PHE A1937 60.791 30.751 -2.755 1.00 30.51 C ATOM 796 CE2 PHE A1937 58.837 29.367 -2.699 1.00 28.70 C ATOM 797 CZ PHE A1937 60.227 29.511 -2.592 1.00 28.26 C ATOM 798 H PHE A1937 57.593 32.936 -0.662 1.00 0.00 H ATOM 799 N ASP A1938 56.353 35.628 -1.854 1.00 32.65 N ATOM 800 CA ASP A1938 55.581 36.856 -1.849 1.00 35.61 C ATOM 801 C ASP A1938 56.409 38.044 -1.398 1.00 36.26 C ATOM 802 O ASP A1938 56.384 39.095 -2.026 1.00 36.73 O ATOM 803 CB ASP A1938 54.341 36.724 -0.977 1.00 36.05 C ATOM 804 CG ASP A1938 53.305 35.781 -1.556 1.00 38.01 C ATOM 805 OD1 ASP A1938 53.390 35.428 -2.761 1.00 36.10 O ATOM 806 OD2 ASP A1938 52.374 35.406 -0.794 1.00 37.97 O ATOM 807 H ASP A1938 56.057 34.858 -1.221 1.00 0.00 H ATOM 808 N ASN A1939 57.165 37.873 -0.332 1.00 35.77 N ATOM 809 CA ASN A1939 58.096 38.919 0.098 1.00 34.44 C ATOM 810 C ASN A1939 59.113 39.223 -0.979 1.00 35.32 C ATOM 811 O ASN A1939 59.431 40.378 -1.232 1.00 38.21 O ATOM 812 CB ASN A1939 58.841 38.493 1.343 1.00 31.95 C ATOM 813 CG ASN A1939 57.982 38.493 2.601 1.00 32.57 C ATOM 814 OD1 ASN A1939 56.889 39.052 2.639 1.00 34.58 O ATOM 815 ND2 ASN A1939 58.505 37.862 3.660 1.00 30.12 N ATOM 816 HD22 ASN A1939 59.434 37.401 3.584 1.00 0.00 H ATOM 817 HD21 ASN A1939 57.982 37.833 4.558 1.00 0.00 H ATOM 818 H ASN A1939 57.100 36.987 0.209 1.00 0.00 H ATOM 819 N CYS A1940 59.613 38.174 -1.620 1.00 32.30 N ATOM 820 CA CYS A1940 60.622 38.325 -2.653 1.00 35.57 C ATOM 821 C CYS A1940 60.078 39.157 -3.804 1.00 37.00 C ATOM 822 O CYS A1940 60.757 40.043 -4.308 1.00 37.77 O ATOM 823 CB CYS A1940 61.110 36.965 -3.154 1.00 33.61 C ATOM 824 SG CYS A1940 62.424 36.991 -4.383 1.00 34.53 S ATOM 825 H CYS A1940 59.274 37.221 -1.377 1.00 0.00 H ATOM 826 N GLU A1941 58.834 38.911 -4.185 1.00 39.32 N ATOM 827 CA GLU A1941 58.221 39.678 -5.240 1.00 43.08 C ATOM 828 C GLU A1941 57.949 41.104 -4.863 1.00 43.55 C ATOM 829 O GLU A1941 58.001 41.975 -5.714 1.00 43.15 O ATOM 830 CB GLU A1941 56.884 39.101 -5.647 1.00 46.75 C ATOM 831 CG GLU A1941 56.981 37.839 -6.453 1.00 49.17 C ATOM 832 CD GLU A1941 55.736 37.632 -7.267 1.00 51.73 C ATOM 833 OE1 GLU A1941 55.184 36.520 -7.233 1.00 50.19 O ATOM 834 OE2 GLU A1941 55.324 38.598 -7.945 1.00 57.53 O ATOM 835 H GLU A1941 58.293 38.156 -3.718 1.00 0.00 H ATOM 836 N THR A1942 57.552 41.325 -3.627 1.00 39.33 N ATOM 837 CA THR A1942 57.292 42.665 -3.160 1.00 43.34 C ATOM 838 C THR A1942 58.568 43.499 -3.206 1.00 43.55 C ATOM 839 O THR A1942 58.534 44.668 -3.551 1.00 46.02 O ATOM 840 CB THR A1942 56.717 42.647 -1.735 1.00 43.96 C ATOM 841 OG1 THR A1942 55.434 42.021 -1.767 1.00 45.57 O ATOM 842 CG2 THR A1942 56.551 44.060 -1.197 1.00 46.98 C ATOM 843 HG1 THR A1942 55.528 41.095 -2.104 1.00 0.00 H ATOM 844 H THR A1942 57.424 40.522 -2.978 1.00 0.00 H ATOM 845 N PHE A1943 59.703 42.891 -2.877 1.00 42.11 N ATOM 846 CA PHE A1943 60.916 43.673 -2.675 1.00 41.37 C ATOM 847 C PHE A1943 61.804 43.728 -3.915 1.00 41.53 C ATOM 848 O PHE A1943 62.506 44.707 -4.103 1.00 41.47 O ATOM 849 CB PHE A1943 61.703 43.135 -1.479 1.00 37.28 C ATOM 850 CG PHE A1943 62.708 44.113 -0.939 1.00 39.01 C ATOM 851 CD1 PHE A1943 62.310 45.168 -0.118 1.00 41.11 C ATOM 852 CD2 PHE A1943 64.045 43.979 -1.242 1.00 39.00 C ATOM 853 CE1 PHE A1943 63.231 46.070 0.388 1.00 43.19 C ATOM 854 CE2 PHE A1943 64.981 44.878 -0.741 1.00 41.93 C ATOM 855 CZ PHE A1943 64.574 45.936 0.066 1.00 43.28 C ATOM 856 H PHE A1943 59.726 41.857 -2.764 1.00 0.00 H ATOM 857 N ASN A1944 61.768 42.689 -4.753 1.00 40.80 N ATOM 858 CA ASN A1944 62.675 42.587 -5.888 1.00 42.43 C ATOM 859 C ASN A1944 61.981 42.713 -7.247 1.00 46.57 C ATOM 860 O ASN A1944 60.873 42.234 -7.439 1.00 47.11 O ATOM 861 CB ASN A1944 63.395 41.254 -5.840 1.00 41.50 C ATOM 862 CG ASN A1944 64.165 41.059 -4.549 1.00 39.02 C ATOM 863 OD1 ASN A1944 65.320 41.468 -4.450 1.00 37.95 O ATOM 864 ND2 ASN A1944 63.527 40.445 -3.548 1.00 36.17 N ATOM 865 HD22 ASN A1944 62.549 40.116 -3.679 1.00 0.00 H ATOM 866 HD21 ASN A1944 64.008 40.296 -2.638 1.00 0.00 H ATOM 867 H ASN A1944 61.073 41.932 -4.591 1.00 0.00 H ATOM 868 N GLU A1945 62.659 43.364 -8.178 1.00 48.39 N ATOM 869 CA GLU A1945 62.224 43.408 -9.560 1.00 53.14 C ATOM 870 C GLU A1945 62.185 41.981 -10.124 1.00 50.04 C ATOM 871 O GLU A1945 63.064 41.169 -9.833 1.00 43.78 O ATOM 872 CB GLU A1945 63.182 44.268 -10.359 1.00 56.56 C ATOM 873 CG GLU A1945 62.992 45.763 -10.129 1.00 63.60 C ATOM 874 CD GLU A1945 61.747 46.328 -10.810 1.00 70.59 C ATOM 875 OE1 GLU A1945 61.048 45.603 -11.556 1.00 76.50 O ATOM 876 OE2 GLU A1945 61.456 47.519 -10.614 1.00 77.93 O ATOM 877 H GLU A1945 63.533 43.860 -7.910 1.00 0.00 H ATOM 878 N ASP A1946 61.142 41.692 -10.897 1.00 52.03 N ATOM 879 CA ASP A1946 61.039 40.416 -11.636 1.00 52.68 C ATOM 880 C ASP A1946 62.321 40.152 -12.459 1.00 54.75 C ATOM 881 O ASP A1946 62.778 39.016 -12.541 1.00 55.70 O ATOM 882 CB ASP A1946 59.787 40.418 -12.531 1.00 54.50 C ATOM 883 CG ASP A1946 58.488 40.383 -11.724 1.00 53.28 C ATOM 884 OD1 ASP A1946 58.506 39.985 -10.544 1.00 50.65 O ATOM 885 OD2 ASP A1946 57.443 40.741 -12.260 1.00 54.85 O ATOM 886 H ASP A1946 60.373 42.387 -10.984 1.00 0.00 H ATOM 887 N ASP A1947 62.932 41.212 -12.985 1.00 55.87 N ATOM 888 CA ASP A1947 64.089 41.105 -13.871 1.00 60.39 C ATOM 889 C ASP A1947 65.426 41.248 -13.124 1.00 57.77 C ATOM 890 O ASP A1947 66.397 41.760 -13.673 1.00 67.87 O ATOM 891 CB ASP A1947 63.960 42.185 -14.977 1.00 65.39 C ATOM 892 CG ASP A1947 65.076 42.123 -16.018 1.00 71.77 C ATOM 893 OD1 ASP A1947 65.715 41.065 -16.206 1.00 73.58 O ATOM 894 OD2 ASP A1947 65.326 43.156 -16.683 1.00 82.39 O ATOM 895 H ASP A1947 62.569 42.159 -12.755 1.00 0.00 H ATOM 896 N SER A1948 65.468 40.858 -11.863 1.00 54.01 N ATOM 897 CA SER A1948 66.719 40.751 -11.123 1.00 50.67 C ATOM 898 C SER A1948 67.014 39.262 -10.991 1.00 48.62 C ATOM 899 O SER A1948 66.116 38.431 -11.226 1.00 44.17 O ATOM 900 CB SER A1948 66.579 41.403 -9.734 1.00 47.96 C ATOM 901 OG SER A1948 65.482 40.894 -8.994 1.00 43.11 O ATOM 902 HG SER A1948 64.643 41.061 -9.492 1.00 0.00 H ATOM 903 H SER A1948 64.578 40.619 -11.381 1.00 0.00 H ATOM 904 N ASP A1949 68.255 38.918 -10.626 1.00 48.33 N ATOM 905 CA ASP A1949 68.599 37.516 -10.329 1.00 47.39 C ATOM 906 C ASP A1949 67.765 36.953 -9.188 1.00 43.43 C ATOM 907 O ASP A1949 67.294 35.815 -9.259 1.00 42.58 O ATOM 908 CB ASP A1949 70.078 37.347 -9.991 1.00 49.17 C ATOM 909 CG ASP A1949 70.985 37.601 -11.174 1.00 55.13 C ATOM 910 OD1 ASP A1949 71.031 36.758 -12.110 1.00 56.69 O ATOM 911 OD2 ASP A1949 71.681 38.643 -11.150 1.00 55.62 O ATOM 912 H ASP A1949 68.988 39.652 -10.551 1.00 0.00 H ATOM 913 N ILE A1950 67.597 37.755 -8.131 1.00 41.22 N ATOM 914 CA ILE A1950 66.811 37.363 -6.982 1.00 39.50 C ATOM 915 C ILE A1950 65.343 37.235 -7.338 1.00 36.87 C ATOM 916 O ILE A1950 64.696 36.293 -6.886 1.00 34.48 O ATOM 917 CB ILE A1950 66.933 38.368 -5.807 1.00 38.27 C ATOM 918 CG1 ILE A1950 68.345 38.324 -5.216 1.00 40.59 C ATOM 919 CG2 ILE A1950 65.920 38.044 -4.719 1.00 37.88 C ATOM 920 CD1 ILE A1950 68.660 39.522 -4.354 1.00 42.97 C ATOM 921 H ILE A1950 68.047 38.693 -8.135 1.00 0.00 H ATOM 922 N GLY A1951 64.821 38.189 -8.106 1.00 37.92 N ATOM 923 CA GLY A1951 63.398 38.156 -8.534 1.00 38.03 C ATOM 924 C GLY A1951 63.105 36.894 -9.357 1.00 39.66 C ATOM 925 O GLY A1951 62.099 36.220 -9.135 1.00 38.66 O ATOM 926 H GLY A1951 65.425 38.978 -8.414 1.00 0.00 H ATOM 927 N ARG A1952 64.015 36.559 -10.267 1.00 42.23 N ATOM 928 CA ARG A1952 63.912 35.338 -11.087 1.00 44.49 C ATOM 929 C ARG A1952 64.020 34.063 -10.265 1.00 41.64 C ATOM 930 O ARG A1952 63.289 33.091 -10.511 1.00 41.66 O ATOM 931 CB ARG A1952 64.976 35.305 -12.169 1.00 49.31 C ATOM 932 CG ARG A1952 64.580 36.054 -13.416 1.00 56.16 C ATOM 933 CD ARG A1952 65.551 35.799 -14.557 1.00 61.52 C ATOM 934 NE ARG A1952 66.820 36.469 -14.320 1.00 63.11 N ATOM 935 CZ ARG A1952 67.073 37.746 -14.596 1.00 64.34 C ATOM 936 NH1 ARG A1952 68.272 38.248 -14.318 1.00 64.72 N ATOM 937 NH2 ARG A1952 66.145 38.523 -15.141 1.00 67.25 N ATOM 938 HE ARG A1952 67.589 35.907 -13.903 1.00 0.00 H ATOM 939 HH12 ARG A1952 68.480 39.245 -14.530 1.00 0.00 H ATOM 940 HH11 ARG A1952 69.002 37.644 -13.889 1.00 0.00 H ATOM 941 HH22 ARG A1952 66.358 39.519 -15.351 1.00 0.00 H ATOM 942 HH21 ARG A1952 65.205 38.136 -15.358 1.00 0.00 H ATOM 943 H ARG A1952 64.834 37.185 -10.406 1.00 0.00 H ATOM 944 N ALA A1953 64.913 34.062 -9.281 1.00 39.43 N ATOM 945 CA ALA A1953 65.047 32.920 -8.378 1.00 36.54 C ATOM 946 C ALA A1953 63.747 32.642 -7.673 1.00 35.33 C ATOM 947 O ALA A1953 63.344 31.498 -7.583 1.00 35.05 O ATOM 948 CB ALA A1953 66.144 33.138 -7.372 1.00 35.65 C ATOM 949 H ALA A1953 65.529 34.890 -9.151 1.00 0.00 H ATOM 950 N GLY A1954 63.104 33.686 -7.171 1.00 33.28 N ATOM 951 CA GLY A1954 61.868 33.540 -6.442 1.00 33.24 C ATOM 952 C GLY A1954 60.772 32.937 -7.284 1.00 34.95 C ATOM 953 O GLY A1954 60.076 32.031 -6.824 1.00 34.64 O ATOM 954 H GLY A1954 63.502 34.637 -7.306 1.00 0.00 H ATOM 955 N HIS A1955 60.606 33.437 -8.502 1.00 38.61 N ATOM 956 CA HIS A1955 59.634 32.855 -9.450 1.00 41.33 C ATOM 957 C HIS A1955 59.926 31.383 -9.724 1.00 40.31 C ATOM 958 O HIS A1955 59.035 30.562 -9.642 1.00 39.36 O ATOM 959 CB HIS A1955 59.561 33.644 -10.761 1.00 46.53 C ATOM 960 CG HIS A1955 58.908 34.984 -10.613 1.00 50.85 C ATOM 961 ND1 HIS A1955 57.564 35.131 -10.329 1.00 53.04 N ATOM 962 CD2 HIS A1955 59.410 36.239 -10.701 1.00 54.33 C ATOM 963 CE1 HIS A1955 57.270 36.418 -10.240 1.00 55.40 C ATOM 964 NE2 HIS A1955 58.374 37.111 -10.460 1.00 56.57 N ATOM 965 H HIS A1955 61.173 34.258 -8.796 1.00 0.00 H ATOM 966 N ASN A1956 61.184 31.052 -9.988 1.00 39.42 N ATOM 967 CA ASN A1956 61.595 29.664 -10.218 1.00 39.09 C ATOM 968 C ASN A1956 61.331 28.751 -8.998 1.00 36.22 C ATOM 969 O ASN A1956 60.848 27.617 -9.143 1.00 35.11 O ATOM 970 CB ASN A1956 63.072 29.598 -10.585 1.00 40.10 C ATOM 971 CG ASN A1956 63.376 30.168 -11.972 1.00 43.44 C ATOM 972 OD1 ASN A1956 62.484 30.572 -12.724 1.00 44.88 O ATOM 973 ND2 ASN A1956 64.655 30.168 -12.324 1.00 44.79 N ATOM 974 HD22 ASN A1956 65.377 29.819 -11.661 1.00 0.00 H ATOM 975 HD21 ASN A1956 64.936 30.517 -13.263 1.00 0.00 H ATOM 976 H ASN A1956 61.902 31.803 -10.033 1.00 0.00 H ATOM 977 N MET A1957 61.628 29.254 -7.810 1.00 33.66 N ATOM 978 CA MET A1957 61.486 28.465 -6.590 1.00 32.57 C ATOM 979 C MET A1957 60.000 28.279 -6.236 1.00 32.52 C ATOM 980 O MET A1957 59.587 27.225 -5.734 1.00 30.97 O ATOM 981 CB MET A1957 62.267 29.105 -5.433 1.00 32.53 C ATOM 982 CG MET A1957 63.802 29.040 -5.560 1.00 33.03 C ATOM 983 SD MET A1957 64.490 27.401 -5.811 1.00 40.07 S ATOM 984 CE MET A1957 63.916 26.531 -4.368 1.00 37.30 C ATOM 985 H MET A1957 61.970 30.234 -7.744 1.00 0.00 H ATOM 986 N ARG A1958 59.195 29.281 -6.527 1.00 31.74 N ATOM 987 CA ARG A1958 57.779 29.155 -6.260 1.00 34.23 C ATOM 988 C ARG A1958 57.178 28.082 -7.176 1.00 36.31 C ATOM 989 O ARG A1958 56.400 27.263 -6.715 1.00 37.38 O ATOM 990 CB ARG A1958 57.072 30.487 -6.470 1.00 35.15 C ATOM 991 CG ARG A1958 55.589 30.423 -6.201 1.00 38.27 C ATOM 992 CD ARG A1958 54.825 31.564 -6.863 1.00 39.95 C ATOM 993 NE ARG A1958 55.140 32.885 -6.317 1.00 40.27 N ATOM 994 CZ ARG A1958 54.689 33.372 -5.158 1.00 39.54 C ATOM 995 NH1 ARG A1958 53.907 32.643 -4.345 1.00 39.39 N ATOM 996 NH2 ARG A1958 55.010 34.613 -4.807 1.00 37.81 N ATOM 997 HE ARG A1958 55.767 33.495 -6.878 1.00 0.00 H ATOM 998 HH12 ARG A1958 53.570 33.047 -3.448 1.00 0.00 H ATOM 999 HH11 ARG A1958 53.639 31.674 -4.612 1.00 0.00 H ATOM 1000 HH22 ARG A1958 54.665 35.005 -3.907 1.00 0.00 H ATOM 1001 HH21 ARG A1958 55.606 35.193 -5.432 1.00 0.00 H ATOM 1002 H ARG A1958 59.574 30.155 -6.945 1.00 0.00 H ATOM 1003 N LYS A1959 57.534 28.108 -8.456 1.00 37.57 N ATOM 1004 CA LYS A1959 57.029 27.131 -9.419 1.00 43.72 C ATOM 1005 C LYS A1959 57.437 25.720 -8.986 1.00 40.96 C ATOM 1006 O LYS A1959 56.635 24.812 -8.989 1.00 39.61 O ATOM 1007 CB LYS A1959 57.577 27.434 -10.814 1.00 47.37 C ATOM 1008 CG LYS A1959 57.139 26.459 -11.886 1.00 58.57 C ATOM 1009 CD LYS A1959 55.853 26.954 -12.543 1.00 65.71 C ATOM 1010 CE LYS A1959 55.242 25.954 -13.513 1.00 74.15 C ATOM 1011 NZ LYS A1959 54.078 26.576 -14.209 1.00 79.11 N ATOM 1012 HZ1 LYS A1959 53.364 26.856 -13.506 1.00 0.00 H ATOM 1013 HZ2 LYS A1959 54.397 27.415 -14.734 1.00 0.00 H ATOM 1014 HZ3 LYS A1959 53.664 25.889 -14.871 1.00 0.00 H ATOM 1015 H LYS A1959 58.191 28.845 -8.782 1.00 0.00 H ATOM 1016 N TYR A1960 58.707 25.577 -8.609 1.00 38.32 N ATOM 1017 CA TYR A1960 59.259 24.334 -8.130 1.00 39.29 C ATOM 1018 C TYR A1960 58.476 23.804 -6.915 1.00 37.40 C ATOM 1019 O TYR A1960 58.114 22.607 -6.848 1.00 37.38 O ATOM 1020 CB TYR A1960 60.712 24.595 -7.745 1.00 39.77 C ATOM 1021 CG TYR A1960 61.538 23.386 -7.463 1.00 40.99 C ATOM 1022 CD1 TYR A1960 61.917 22.522 -8.487 1.00 46.45 C ATOM 1023 CD2 TYR A1960 61.992 23.127 -6.182 1.00 42.35 C ATOM 1024 CE1 TYR A1960 62.712 21.414 -8.242 1.00 47.82 C ATOM 1025 CE2 TYR A1960 62.788 22.023 -5.925 1.00 45.08 C ATOM 1026 CZ TYR A1960 63.131 21.169 -6.952 1.00 47.39 C ATOM 1027 OH TYR A1960 63.920 20.083 -6.686 1.00 53.33 O ATOM 1028 HH TYR A1960 64.788 20.389 -6.320 1.00 0.00 H ATOM 1029 H TYR A1960 59.333 26.406 -8.663 1.00 0.00 H ATOM 1030 N PHE A1961 58.213 24.695 -5.962 1.00 34.00 N ATOM 1031 CA PHE A1961 57.533 24.323 -4.735 1.00 33.08 C ATOM 1032 C PHE A1961 56.111 23.871 -5.030 1.00 34.96 C ATOM 1033 O PHE A1961 55.675 22.832 -4.531 1.00 34.10 O ATOM 1034 CB PHE A1961 57.486 25.474 -3.732 1.00 30.91 C ATOM 1035 CG PHE A1961 56.520 25.240 -2.598 1.00 31.78 C ATOM 1036 CD1 PHE A1961 56.816 24.326 -1.577 1.00 32.82 C ATOM 1037 CD2 PHE A1961 55.277 25.882 -2.567 1.00 32.35 C ATOM 1038 CE1 PHE A1961 55.925 24.127 -0.526 1.00 32.72 C ATOM 1039 CE2 PHE A1961 54.408 25.690 -1.519 1.00 33.09 C ATOM 1040 CZ PHE A1961 54.713 24.789 -0.513 1.00 33.03 C ATOM 1041 H PHE A1961 58.503 25.684 -6.100 1.00 0.00 H ATOM 1042 N GLU A1962 55.390 24.633 -5.844 1.00 35.17 N ATOM 1043 CA GLU A1962 53.968 24.358 -6.016 1.00 37.76 C ATOM 1044 C GLU A1962 53.719 23.043 -6.730 1.00 41.76 C ATOM 1045 O GLU A1962 52.698 22.380 -6.464 1.00 42.14 O ATOM 1046 CB GLU A1962 53.267 25.500 -6.752 1.00 40.07 C ATOM 1047 CG GLU A1962 53.258 26.829 -6.006 1.00 39.43 C ATOM 1048 CD GLU A1962 52.521 26.807 -4.661 1.00 39.60 C ATOM 1049 OE1 GLU A1962 51.833 25.796 -4.338 1.00 41.91 O ATOM 1050 OE2 GLU A1962 52.639 27.810 -3.913 1.00 35.81 O ATOM 1051 H GLU A1962 55.836 25.421 -6.356 1.00 0.00 H ATOM 1052 N LYS A1963 54.614 22.679 -7.657 1.00 43.22 N ATOM 1053 CA LYS A1963 54.545 21.355 -8.285 1.00 46.05 C ATOM 1054 C LYS A1963 54.778 20.224 -7.274 1.00 46.31 C ATOM 1055 O LYS A1963 54.004 19.268 -7.223 1.00 47.53 O ATOM 1056 CB LYS A1963 55.535 21.220 -9.440 1.00 49.08 C ATOM 1057 CG LYS A1963 55.761 19.759 -9.880 1.00 53.32 C ATOM 1058 CD LYS A1963 55.922 19.601 -11.375 1.00 57.22 C ATOM 1059 CE LYS A1963 56.153 18.141 -11.796 1.00 60.12 C ATOM 1060 NZ LYS A1963 54.873 17.404 -11.883 1.00 61.46 N ATOM 1061 HZ1 LYS A1963 54.405 17.413 -10.954 1.00 0.00 H ATOM 1062 HZ2 LYS A1963 54.258 17.861 -12.587 1.00 0.00 H ATOM 1063 HZ3 LYS A1963 55.059 16.422 -12.169 1.00 0.00 H ATOM 1064 H LYS A1963 55.366 23.342 -7.935 1.00 0.00 H ATOM 1065 N LYS A1964 55.837 20.321 -6.474 1.00 45.53 N ATOM 1066 CA LYS A1964 56.061 19.328 -5.409 1.00 47.93 C ATOM 1067 C LYS A1964 54.853 19.261 -4.476 1.00 47.07 C ATOM 1068 O LYS A1964 54.413 18.180 -4.097 1.00 47.49 O ATOM 1069 CB LYS A1964 57.297 19.658 -4.587 1.00 49.40 C ATOM 1070 CG LYS A1964 58.573 19.756 -5.412 1.00 54.91 C ATOM 1071 CD LYS A1964 59.603 18.710 -5.046 1.00 61.90 C ATOM 1072 CE LYS A1964 60.397 18.221 -6.254 1.00 66.04 C ATOM 1073 NZ LYS A1964 61.670 17.563 -5.865 1.00 69.06 N ATOM 1074 HZ1 LYS A1964 62.263 18.239 -5.342 1.00 0.00 H ATOM 1075 HZ2 LYS A1964 61.464 16.742 -5.261 1.00 0.00 H ATOM 1076 HZ3 LYS A1964 62.172 17.249 -6.720 1.00 0.00 H ATOM 1077 H LYS A1964 56.511 21.103 -6.601 1.00 0.00 H ATOM 1078 N TRP A1965 54.295 20.422 -4.143 1.00 43.54 N ATOM 1079 CA TRP A1965 53.145 20.496 -3.238 1.00 43.80 C ATOM 1080 C TRP A1965 51.911 19.756 -3.799 1.00 46.54 C ATOM 1081 O TRP A1965 51.303 18.930 -3.109 1.00 46.44 O ATOM 1082 CB TRP A1965 52.825 21.966 -2.917 1.00 40.68 C ATOM 1083 CG TRP A1965 51.830 22.101 -1.827 1.00 40.37 C ATOM 1084 CD1 TRP A1965 50.475 22.357 -1.938 1.00 42.92 C ATOM 1085 CD2 TRP A1965 52.096 21.908 -0.450 1.00 36.88 C ATOM 1086 NE1 TRP A1965 49.904 22.392 -0.679 1.00 41.81 N ATOM 1087 CE2 TRP A1965 50.882 22.089 0.245 1.00 39.16 C ATOM 1088 CE3 TRP A1965 53.254 21.591 0.269 1.00 34.84 C ATOM 1089 CZ2 TRP A1965 50.799 21.969 1.646 1.00 38.40 C ATOM 1090 CZ3 TRP A1965 53.177 21.491 1.661 1.00 34.65 C ATOM 1091 CH2 TRP A1965 51.950 21.676 2.333 1.00 35.70 C ATOM 1092 HE1 TRP A1965 48.910 22.609 -0.466 1.00 0.00 H ATOM 1093 H TRP A1965 54.686 21.302 -4.536 1.00 0.00 H ATOM 1094 N THR A1966 51.568 20.033 -5.060 1.00 48.85 N ATOM 1095 CA THR A1966 50.442 19.395 -5.723 1.00 50.97 C ATOM 1096 C THR A1966 50.720 17.906 -5.942 1.00 54.10 C ATOM 1097 O THR A1966 49.847 17.071 -5.759 1.00 54.78 O ATOM 1098 CB THR A1966 50.166 20.064 -7.086 1.00 53.18 C ATOM 1099 OG1 THR A1966 50.021 21.481 -6.903 1.00 50.82 O ATOM 1100 CG2 THR A1966 48.910 19.495 -7.739 1.00 56.21 C ATOM 1101 HG1 THR A1966 50.855 21.850 -6.517 1.00 0.00 H ATOM 1102 H THR A1966 52.128 20.732 -5.588 1.00 0.00 H ATOM 1103 N ASP A1967 51.940 17.579 -6.355 1.00 53.49 N ATOM 1104 CA ASP A1967 52.291 16.176 -6.553 1.00 57.41 C ATOM 1105 C ASP A1967 52.227 15.376 -5.252 1.00 57.81 C ATOM 1106 O ASP A1967 51.771 14.222 -5.259 1.00 60.23 O ATOM 1107 CB ASP A1967 53.669 16.032 -7.200 1.00 57.22 C ATOM 1108 CG ASP A1967 53.659 16.425 -8.669 1.00 58.89 C ATOM 1109 OD1 ASP A1967 52.557 16.662 -9.213 1.00 57.04 O ATOM 1110 OD2 ASP A1967 54.751 16.517 -9.265 1.00 57.72 O ATOM 1111 H ASP A1967 52.644 18.322 -6.537 1.00 0.00 H ATOM 1112 N THR A1968 52.663 15.982 -4.147 1.00 54.09 N ATOM 1113 CA THR A1968 52.772 15.264 -2.881 1.00 54.93 C ATOM 1114 C THR A1968 51.427 15.109 -2.144 1.00 57.20 C ATOM 1115 O THR A1968 51.177 14.073 -1.541 1.00 58.73 O ATOM 1116 CB THR A1968 53.818 15.930 -1.970 1.00 52.95 C ATOM 1117 OG1 THR A1968 55.074 15.957 -2.642 1.00 53.04 O ATOM 1118 CG2 THR A1968 53.996 15.173 -0.666 1.00 54.12 C ATOM 1119 HG1 THR A1968 54.987 16.474 -3.482 1.00 0.00 H ATOM 1120 H THR A1968 52.931 16.986 -4.188 1.00 0.00 H ATOM 1121 N PHE A1969 50.563 16.119 -2.220 1.00 56.99 N ATOM 1122 CA PHE A1969 49.410 16.219 -1.320 1.00 59.77 C ATOM 1123 C PHE A1969 48.044 16.192 -2.004 1.00 70.20 C ATOM 1124 O PHE A1969 47.094 15.604 -1.479 1.00 77.60 O ATOM 1125 CB PHE A1969 49.565 17.457 -0.435 1.00 52.73 C ATOM 1126 CG PHE A1969 50.669 17.323 0.574 1.00 47.76 C ATOM 1127 CD1 PHE A1969 50.593 16.356 1.561 1.00 47.82 C ATOM 1128 CD2 PHE A1969 51.816 18.114 0.504 1.00 45.06 C ATOM 1129 CE1 PHE A1969 51.611 16.208 2.480 1.00 46.73 C ATOM 1130 CE2 PHE A1969 52.827 17.974 1.430 1.00 43.45 C ATOM 1131 CZ PHE A1969 52.731 17.005 2.412 1.00 43.62 C ATOM 1132 H PHE A1969 50.710 16.857 -2.938 1.00 0.00 H ATOM 1133 N LYS A1970 47.948 16.798 -3.181 1.00 82.00 N ATOM 1134 CA LYS A1970 46.721 16.717 -3.987 1.00 96.69 C ATOM 1135 C LYS A1970 46.638 15.392 -4.776 1.00105.48 C ATOM 1136 O LYS A1970 45.549 14.992 -5.195 1.00109.75 O ATOM 1137 CB LYS A1970 46.622 17.910 -4.960 1.00 99.27 C ATOM 1138 CG LYS A1970 46.782 19.283 -4.315 1.00 99.30 C ATOM 1139 CD LYS A1970 45.567 19.682 -3.483 1.00102.26 C ATOM 1140 CE LYS A1970 45.974 20.385 -2.193 1.00100.73 C ATOM 1141 NZ LYS A1970 47.020 21.433 -2.381 1.00 96.26 N ATOM 1142 HZ1 LYS A1970 47.877 20.998 -2.780 1.00 0.00 H ATOM 1143 HZ2 LYS A1970 46.665 22.163 -3.032 1.00 0.00 H ATOM 1144 HZ3 LYS A1970 47.245 21.866 -1.462 1.00 0.00 H ATOM 1145 H LYS A1970 48.758 17.342 -3.541 1.00 0.00 H ATOM 1146 N VAL A1971 47.784 14.723 -4.965 1.00108.28 N ATOM 1147 CA VAL A1971 47.878 13.540 -5.831 1.00112.63 C ATOM 1148 C VAL A1971 48.966 12.587 -5.336 1.00112.83 C ATOM 1149 O VAL A1971 49.034 12.277 -4.141 1.00109.75 O ATOM 1150 CB VAL A1971 48.192 13.934 -7.294 1.00109.18 C ATOM 1151 H VAL A1971 48.641 15.055 -4.479 1.00 0.00 H TER 1152 VAL A1971 HETATM 1153 O HOH 1 54.985 24.393 -10.718 1.00 53.72 O HETATM 1154 O HOH 2 25.745 18.956 14.916 1.00 47.96 O HETATM 1155 O HOH 3 66.546 21.434 12.025 1.00 43.84 O HETATM 1156 O HOH 4 49.002 16.873 11.123 1.00 43.69 O HETATM 1157 O HOH 5 72.809 32.090 0.000 1.00 42.28 O HETATM 1158 O HOH 6 52.721 18.882 -12.158 1.00 76.25 O HETATM 1159 O HOH 7 58.771 20.859 -8.712 1.00 51.16 O HETATM 1160 O HOH 8 60.719 43.786 9.059 1.00 52.04 O HETATM 1161 O HOH 9 65.702 48.718 7.318 1.00 71.10 O HETATM 1162 O HOH 10 71.899 36.914 -14.608 1.00 53.80 O HETATM 1163 O HOH 11 48.964 18.255 8.623 1.00 37.80 O HETATM 1164 O HOH 12 67.086 42.783 -2.606 1.00 40.71 O HETATM 1165 O HOH 13 63.002 26.575 17.632 1.00 38.69 O HETATM 1166 O HOH 14 73.222 27.938 -5.286 1.00 49.60 O HETATM 1167 O HOH 15 30.692 17.521 9.153 1.00 40.28 O HETATM 1168 O HOH 16 66.937 24.033 12.431 1.00 51.21 O HETATM 1169 O HOH 17 52.467 24.033 16.440 1.00 54.98 O HETATM 1170 O HOH 18 32.752 10.246 8.527 1.00 37.29 O HETATM 1171 O HOH 19 64.944 44.805 -7.630 1.00 43.24 O HETATM 1172 O HOH 20 33.964 19.068 1.220 1.00 60.82 O HETATM 1173 O HOH 21 56.286 46.204 -4.219 1.00 47.78 O HETATM 1174 O HOH 22 60.242 39.610 -8.217 1.00 34.21 O HETATM 1175 O HOH 23 63.942 49.504 6.090 1.00 51.07 O HETATM 1176 O HOH 24 60.222 17.960 13.277 1.00 58.67 O HETATM 1177 O HOH 25 55.748 12.287 9.114 1.00 46.54 O HETATM 1178 O HOH 26 58.582 47.365 9.994 1.00 58.90 O HETATM 1179 O HOH 27 58.825 43.758 -11.122 1.00 53.11 O HETATM 1180 O HOH 28 62.087 28.901 16.604 1.00 51.49 O HETATM 1181 O HOH 29 56.348 21.509 12.848 1.00 37.41 O HETATM 1182 O HOH 30 63.666 17.926 -8.924 1.00 65.05 O HETATM 1183 O HOH 31 72.128 27.778 -2.915 1.00 52.19 O HETATM 1184 O HOH 32 33.707 17.016 13.601 1.00 62.30 O HETATM 1185 O HOH 33 53.912 43.787 -4.475 1.00 69.43 O HETATM 1186 O HOH 34 72.568 39.260 -3.694 1.00 43.73 O HETATM 1187 O HOH 35 53.180 25.887 -10.061 1.00 61.82 O HETATM 1188 O HOH 36 56.528 18.401 -15.179 1.00 59.00 O HETATM 1189 O HOH 37 64.237 46.369 -13.531 1.00 68.42 O HETATM 1190 O HOH 38 62.461 30.006 14.059 1.00 49.60 O HETATM 1191 O HOH 39 58.904 18.165 -8.709 1.00 51.64 O HETATM 1192 O HOH 40 73.924 37.685 -2.385 1.00 52.72 O HETATM 1193 O HOH 41 66.380 45.353 -9.941 1.00 66.32 O HETATM 1194 O HOH 42 71.884 39.277 -6.552 1.00 42.50 O HETATM 1195 O HOH 43 57.091 9.490 7.870 1.00 54.92 O HETATM 1196 O HOH 44 74.490 35.163 -1.646 1.00 61.76 O HETATM 1197 O HOH 45 50.312 23.381 -16.528 1.00 59.47 O HETATM 1198 O HOH 46 53.232 29.963 11.170 1.00 45.53 O HETATM 1199 O HOH 47 61.672 37.467 3.882 1.00 30.20 O HETATM 1200 O HOH 48 64.464 15.451 4.186 1.00 63.41 O HETATM 1201 O HOH 49 59.069 35.289 -5.731 1.00 31.90 O HETATM 1202 O HOH 50 56.940 16.401 -7.856 1.00 56.31 O HETATM 1203 O HOH 51 69.367 40.019 -7.767 1.00 36.88 O HETATM 1204 O HOH 52 68.770 31.068 10.426 1.00 51.72 O HETATM 1205 O HOH 53 68.353 27.229 4.531 1.00 43.35 O HETATM 1206 O HOH 54 71.075 25.379 -2.672 1.00 42.54 O HETATM 1207 O HOH 55 60.428 37.216 -7.201 1.00 35.15 O HETATM 1208 O HOH 56 57.801 36.935 9.967 1.00 39.82 O HETATM 1209 O HOH 57 47.268 20.358 0.537 1.00 66.33 O HETATM 1210 O HOH 58 55.423 40.223 4.844 1.00 36.73 O HETATM 1211 O HOH 59 55.345 33.387 -10.111 1.00 54.04 O HETATM 1212 O HOH 60 52.392 30.182 -4.702 1.00 37.90 O HETATM 1213 O HOH 61 48.426 30.059 0.175 1.00 45.00 O HETATM 1214 O HOH 62 66.776 44.003 -12.433 1.00 64.19 O HETATM 1215 O HOH 63 52.820 32.253 7.181 1.00 36.78 O HETATM 1216 O HOH 64 57.358 34.458 -7.396 1.00 43.48 O HETATM 1217 O HOH 65 61.670 13.355 4.949 1.00 60.72 O HETATM 1218 O HOH 66 57.471 32.789 12.475 1.00 44.77 O HETATM 1219 O HOH 67 69.272 20.510 2.570 1.00 55.27 O HETATM 1220 O HOH 68 72.463 42.008 11.176 1.00 51.86 O HETATM 1221 O HOH 69 50.533 23.745 -5.505 1.00 46.62 O HETATM 1222 O HOH 70 52.423 35.555 1.785 1.00 36.91 O HETATM 1223 O HOH 71 71.233 24.630 1.598 1.00 47.61 O HETATM 1224 O HOH 72 57.846 40.155 11.634 1.00 64.41 O HETATM 1225 O HOH 73 49.542 25.025 -7.442 1.00 62.92 O HETATM 1226 O HOH 74 53.042 39.223 5.176 1.00 37.43 O HETATM 1227 O HOH 75 66.596 20.181 -5.489 1.00 53.79 O HETATM 1228 O HOH 76 47.909 23.185 -4.577 1.00 61.37 O HETATM 1229 O HOH 77 72.921 39.204 11.132 1.00 65.20 O HETATM 1230 O HOH 78 51.349 33.922 5.530 1.00 47.63 O HETATM 1231 O HOH 79 52.199 32.739 11.798 1.00 69.69 O HETATM 1232 O HOH 80 52.863 15.726 -14.072 1.00 57.62 O HETATM 1233 O HOH 81 44.830 16.899 6.877 1.00 59.80 O HETATM 1234 O HOH 82 55.161 32.937 9.979 1.00 44.25 O HETATM 1235 O HOH 83 61.235 17.472 10.605 1.00 64.17 O HETATM 1236 O HOH 84 51.256 35.567 -4.497 1.00 52.33 O HETATM 1237 O HOH 85 62.873 19.599 10.099 1.00 48.92 O HETATM 1238 O HOH 86 67.794 18.330 5.424 1.00 63.01 O HETATM 1239 O HOH 87 47.648 25.007 0.230 1.00 59.38 O HETATM 1240 O HOH 88 44.051 10.074 3.128 1.00 65.06 O HETATM 1241 O HOH 89 52.401 38.292 2.554 1.00 47.92 O HETATM 1242 O HOH 90 59.151 15.793 -3.005 1.00 48.22 O HETATM 1243 O HOH 91 58.175 14.641 -1.025 1.00 66.25 O HETATM 1244 O HOH 92 64.610 14.544 1.498 1.00 61.14 O HETATM 1245 O HOH 93 67.371 25.513 6.165 1.00 43.82 O HETATM 1246 O HOH 94 68.709 25.214 8.484 1.00 45.82 O HETATM 1247 O HOH 95 67.479 26.159 10.393 1.00 37.86 O HETATM 1248 O HOH 96 66.109 35.478 2.482 1.00 29.11 O HETATM 1249 O HOH 97 63.720 35.038 2.148 1.00 32.61 O HETATM 1250 O HOH 98 61.869 36.394 0.662 1.00 34.07 O HETATM 1251 O HOH 99 62.386 38.975 0.092 1.00 31.95 O HETATM 1252 O HOH 100 64.163 37.347 5.704 1.00 27.98 O HETATM 1253 O HOH 101 64.975 39.450 7.477 1.00 33.25 O HETATM 1254 O HOH 102 63.524 35.437 7.538 1.00 31.25 O HETATM 1255 O HOH 103 63.245 36.188 10.127 1.00 35.68 O HETATM 1256 O HOH 104 60.948 35.672 10.579 1.00 43.89 O HETATM 1257 O HOH 105 64.135 38.863 10.019 1.00 35.84 O HETATM 1258 O HOH 106 66.406 39.242 11.078 1.00 60.31 O HETATM 1259 O HOH 107 70.881 36.683 7.766 1.00 40.16 O HETATM 1260 O HOH 108 54.764 43.013 4.065 1.00 45.12 O HETATM 1261 O HOH 109 60.099 38.502 12.092 1.00 56.82 O HETATM 1262 O HOH 110 58.521 31.385 15.442 1.00 54.90 O HETATM 1263 O HOH 111 51.507 33.162 2.837 1.00 33.75 O HETATM 1264 O HOH 112 49.680 32.393 1.080 1.00 42.11 O HETATM 1265 O HOH 113 50.420 33.506 -1.504 1.00 43.97 O HETATM 1266 O HOH 114 50.434 32.024 -3.461 1.00 50.65 O HETATM 1267 O HOH 115 53.689 39.699 -3.567 1.00 50.46 O HETATM 1268 O HOH 116 54.429 39.441 1.275 1.00 46.33 O HETATM 1269 O HOH 117 61.713 34.300 -13.787 1.00 64.48 O HETATM 1270 O HOH 118 51.697 30.039 -7.388 1.00 55.99 O HETATM 1271 O HOH 119 66.566 46.647 6.019 1.00 48.07 O HETATM 1272 O HOH 120 62.336 40.227 11.538 1.00 51.30 O HETATM 1273 O HOH 121 75.539 43.073 0.223 1.00 68.15 O HETATM 1274 O HOH 122 75.374 38.744 5.745 1.00 59.69 O HETATM 1275 O HOH 123 67.233 48.472 10.148 1.00 53.09 O HETATM 1276 O HOH 124 70.559 25.304 4.302 1.00 60.90 O HETATM 1277 O HOH 125 71.171 27.329 8.236 1.00 56.67 O HETATM 1278 O HOH 126 60.583 31.804 13.897 1.00 45.64 O HETATM 1279 O HOH 127 59.644 33.949 12.419 1.00 50.90 O HETATM 1280 O HOH 128 52.266 29.805 8.667 1.00 38.62 O HETATM 1281 O HOH 129 52.465 27.858 12.299 1.00 54.01 O HETATM 1282 O HOH 130 46.530 18.838 8.326 1.00 53.55 O HETATM 1283 O HOH 131 38.710 10.431 8.767 1.00 62.25 O HETATM 1284 O HOH 132 46.747 11.518 2.902 1.00 60.31 O HETATM 1285 O HOH 133 50.149 12.121 5.469 1.00 51.35 O HETATM 1286 O HOH 134 37.886 17.744 7.963 1.00 60.24 O HETATM 1287 O HOH 135 39.243 11.830 3.500 1.00 68.37 O HETATM 1288 O HOH 136 40.184 9.241 4.139 1.00 65.70 O HETATM 1289 O HOH 137 44.272 11.491 9.484 1.00 70.76 O HETATM 1290 O HOH 138 60.095 12.946 9.738 1.00 69.36 O HETATM 1291 O HOH 139 57.387 15.013 -12.406 1.00 65.18 O HETATM 1292 O HOH 140 73.351 29.205 4.374 1.00 54.87 O HETATM 1293 O HOH 141 73.538 31.475 2.553 1.00 59.39 O HETATM 1294 O HOH 142 74.414 30.236 8.993 1.00 61.70 O HETATM 1295 O HOH 143 68.077 36.792 12.145 1.00 56.95 O HETATM 1296 O HOH 144 61.062 42.446 10.939 1.00 51.48 O HETATM 1297 O HOH 145 73.217 44.011 -0.090 1.00 53.02 O HETATM 1298 O HOH 146 51.491 39.378 -1.917 1.00 61.74 O HETATM 1299 O HOH 147 53.316 34.717 -8.610 1.00 67.53 O HETATM 1300 O HOH 148 53.693 29.449 -9.218 1.00 60.16 O HETATM 1301 O HOH 149 48.095 28.204 -4.432 1.00 63.72 O HETATM 1302 O HOH 150 47.743 30.300 -2.593 1.00 62.84 O HETATM 1303 O HOH 151 47.553 30.187 -7.259 1.00 65.10 O HETATM 1304 O HOH 152 48.007 26.723 3.145 1.00 54.94 O HETATM 1305 O HOH 153 45.597 28.158 5.033 1.00 60.44 O HETATM 1306 O HOH 154 45.925 26.283 9.324 1.00 58.19 O HETATM 1307 O HOH 155 47.247 34.059 2.023 1.00 66.79 O HETATM 1308 O HOH 156 48.217 36.856 2.511 1.00 63.04 O HETATM 1309 O HOH 157 62.938 37.163 14.600 1.00 65.19 O HETATM 1310 O HOH 158 66.591 31.663 11.190 1.00 61.26 O HETATM 1311 O HOH 159 70.003 41.311 -10.423 1.00 56.58 O HETATM 1312 O HOH 160 61.466 43.591 -13.480 1.00 58.97 O HETATM 1313 O HOH 161 62.267 39.450 -16.203 1.00 68.70 O HETATM 1314 O HOH 162 45.069 22.028 12.416 1.00 60.29 O HETATM 1315 O HOH 163 70.495 38.681 9.590 1.00 53.27 O HETATM 1316 O HOH 164 68.799 40.703 10.178 1.00 51.27 O HETATM 1317 O HOH 165 73.671 36.111 7.030 1.00 58.54 O HETATM 1318 CAA UNN A 166 72.060 37.256 4.328 1.00 -0.03 C HETATM 1319 CAS UNN A 166 71.959 38.544 3.501 1.00 0.03 C HETATM 1320 CAK UNN A 166 72.720 38.896 2.468 1.00 0.07 C HETATM 1321 NAZ UNN A 166 72.244 40.094 2.064 1.00 -0.18 N HETATM 1322 NAR UNN A 166 71.250 40.443 2.830 1.00 -0.10 N HETATM 1323 NAQ UNN A 166 71.048 39.500 3.711 1.00 -0.23 N HETATM 1324 CAM UNN A 166 72.639 41.032 0.974 1.00 0.10 C HETATM 1325 CAN UNN A 166 72.335 40.486 -0.456 1.00 0.09 C HETATM 1326 NBA UNN A 166 70.823 40.536 -0.665 1.00 -0.24 N HETATM 1327 CAJ UNN A 166 70.210 41.642 -1.087 1.00 0.10 C HETATM 1328 NAO UNN A 166 68.879 41.432 -1.151 1.00 -0.31 N HETATM 1329 CAW UNN A 166 68.660 40.180 -0.692 1.00 0.03 C HETATM 1330 CAV UNN A 166 67.391 39.648 -0.697 1.00 -0.00 C HETATM 1331 CAL UNN A 166 67.106 38.350 -0.821 1.00 0.06 C HETATM 1332 NAY UNN A 166 65.796 38.221 -0.874 1.00 -0.21 N HETATM 1333 NAP UNN A 166 65.221 39.447 -0.812 1.00 -0.21 N HETATM 1334 CAI UNN A 166 66.244 40.325 -0.725 1.00 0.00 C HETATM 1335 H11 UNN A 166 66.147 41.409 -0.684 1.00 0.07 H HETATM 1336 CAB UNN A 166 65.056 36.970 -0.986 1.00 0.06 C HETATM 1337 H12 UNN A 166 63.977 37.183 -1.007 1.00 0.06 H HETATM 1338 H13 UNN A 166 65.286 36.329 -0.122 1.00 0.06 H HETATM 1339 H14 UNN A 166 65.346 36.454 -1.913 1.00 0.06 H HETATM 1340 H10 UNN A 166 67.831 37.538 -0.870 1.00 0.10 H HETATM 1341 CAX UNN A 166 69.861 39.617 -0.400 1.00 0.09 C HETATM 1342 CAU UNN A 166 70.105 38.354 0.090 1.00 0.00 C HETATM 1343 CAG UNN A 166 69.447 37.943 1.247 1.00 -0.05 C HETATM 1344 CAE UNN A 166 69.611 36.693 1.822 1.00 -0.05 C HETATM 1345 CAT UNN A 166 70.470 35.798 1.238 1.00 0.01 C HETATM 1346 CAD UNN A 166 70.685 34.531 1.756 1.00 0.01 C HETATM 1347 NAC UNN A 166 70.852 33.406 2.239 1.00 -0.36 N HETATM 1348 H18 UNN A 166 71.579 32.807 1.881 1.00 0.12 H HETATM 1349 H17 UNN A 166 71.505 34.369 1.058 1.00 0.11 H HETATM 1350 CAF UNN A 166 71.192 36.180 0.074 1.00 -0.05 C HETATM 1351 CAH UNN A 166 71.011 37.462 -0.479 1.00 -0.05 C HETATM 1352 H20 UNN A 166 71.580 37.757 -1.353 1.00 0.06 H HETATM 1353 H19 UNN A 166 71.882 35.483 -0.388 1.00 0.07 H HETATM 1354 H16 UNN A 166 69.068 36.426 2.721 1.00 0.07 H HETATM 1355 H15 UNN A 166 68.768 38.641 1.724 1.00 0.06 H HETATM 1356 H9 UNN A 166 70.709 42.576 -1.342 1.00 0.13 H HETATM 1357 H7 UNN A 166 72.690 39.449 -0.543 1.00 0.06 H HETATM 1358 H8 UNN A 166 72.837 41.111 -1.209 1.00 0.06 H HETATM 1359 H5 UNN A 166 73.720 41.221 1.052 1.00 0.07 H HETATM 1360 H6 UNN A 166 72.090 41.976 1.111 1.00 0.07 H HETATM 1361 H4 UNN A 166 73.550 38.337 2.039 1.00 0.09 H HETATM 1362 H1 UNN A 166 72.891 36.642 3.951 1.00 0.03 H HETATM 1363 H2 UNN A 166 71.120 36.691 4.244 1.00 0.03 H HETATM 1364 H3 UNN A 166 72.242 37.511 5.383 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1318 1319 1362 1363 1364 CONECT 1319 1318 1320 1323 CONECT 1320 1319 1321 1361 CONECT 1321 1320 1322 1324 CONECT 1322 1321 1323 CONECT 1323 1319 1322 CONECT 1324 1321 1325 1359 1360 CONECT 1325 1324 1326 1357 1358 CONECT 1326 1325 1327 1341 CONECT 1327 1326 1328 1356 CONECT 1328 1327 1329 CONECT 1329 1328 1330 1341 CONECT 1330 1329 1331 1334 CONECT 1331 1330 1332 1340 CONECT 1332 1331 1333 1336 CONECT 1333 1332 1334 CONECT 1334 1330 1333 1335 CONECT 1335 1334 CONECT 1336 1332 1337 1338 1339 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1336 CONECT 1340 1331 CONECT 1341 1326 1329 1342 CONECT 1342 1341 1343 1351 CONECT 1343 1342 1344 1355 CONECT 1344 1343 1345 1354 CONECT 1345 1344 1346 1350 CONECT 1346 1345 1347 1349 CONECT 1347 1346 1348 CONECT 1348 1347 CONECT 1349 1346 CONECT 1350 1345 1351 1353 CONECT 1351 1342 1350 1352 CONECT 1352 1351 CONECT 1353 1350 CONECT 1354 1344 CONECT 1355 1343 CONECT 1356 1327 CONECT 1357 1325 CONECT 1358 1325 CONECT 1359 1324 CONECT 1360 1324 CONECT 1361 1320 CONECT 1362 1318 CONECT 1363 1318 CONECT 1364 1318 MASTER 0 0 0 0 0 0 0 0 1363 1 51 9 END
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Structure:
Ligand 2D
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Related entries of code: 4xub
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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117aa, >4IR5_1|Chain... *
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117aa, >4IR6_1|Chain... at 100%
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4nrb
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4nrc
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117aa, >4NRC_1|Chain... at 100%
4qc1
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107aa, >4QC1_1|Chains... at 98%
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PDBbind
117aa, >4RVR_1|Chain... at 100%
4xua
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PDBbind
117aa, >4XUA_1|Chain... at 100%
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116aa, >5E73_1|Chain... at 100%
5e74
RCSB PDB
PDBbind
116aa, >5E74_1|Chain... at 100%
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RCSB PDB
PDBbind
116aa, >5L8T_1|Chain... at 100%
5l96
RCSB PDB
PDBbind
116aa, >5L96_1|Chain... at 100%
5l97
RCSB PDB
PDBbind
116aa, >5L97_1|Chain... at 100%
5l98
RCSB PDB
PDBbind
116aa, >5L98_1|Chain... at 100%
5l99
RCSB PDB
PDBbind
116aa, >5L99_1|Chain... at 100%
5mge
RCSB PDB
PDBbind
116aa, >5MGE_1|Chain... at 100%
5mgf
RCSB PDB
PDBbind
116aa, >5MGF_1|Chain... at 100%
5mgg
RCSB PDB
PDBbind
116aa, >5MGG_1|Chain... at 100%
5or9
RCSB PDB
PDBbind
117aa, >5OR9_1|Chain... at 100%
5orb
RCSB PDB
PDBbind
117aa, >5ORB_1|Chain... at 100%
6fh6
RCSB PDB
PDBbind
117aa, >6FH6_1|Chain... at 100%
6fh7
RCSB PDB
PDBbind
117aa, >6FH7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4xub
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B
Ligand Name
43D
EC.Number
E.C.-.-.-.-
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
IC50=1.07uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 2553-2559
Ligand Properties
Formula
C
1
9
H
2
0
N
8
Molecular Weight
360.416
Exact Mass
360.181
No. of atoms
47
No. of bonds
50
Polar Surface Area
90.2
LOGP Value
0.93 (
Computed with XLOGP3
)
2.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
N=Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C
InChI String
InChI=1S/C19H20N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,9-13,20H,7-8H2,1-2H3/b20-9+
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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