Browse entries in the PDBbind-CN Database
HEADER 4XUA_COMPLEX COMPND 4XUA_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 356 45 ATOM 1 N SER A1856 30.060 18.975 12.094 1.00 36.14 N ATOM 2 CA SER A1856 29.550 19.649 13.312 1.00 37.08 C ATOM 3 C SER A1856 29.650 18.658 14.477 1.00 36.24 C ATOM 4 O SER A1856 30.222 17.578 14.318 1.00 36.65 O ATOM 5 CB SER A1856 28.114 20.111 13.090 1.00 37.94 C ATOM 6 OG SER A1856 27.256 18.997 12.958 1.00 36.49 O ATOM 7 HG SER A1856 27.297 18.451 13.783 1.00 0.00 H ATOM 8 HN3 SER A1856 29.484 18.131 11.899 1.00 0.00 H ATOM 9 HN2 SER A1856 31.050 18.694 12.244 1.00 0.00 H ATOM 10 HN1 SER A1856 30.002 19.629 11.287 1.00 0.00 H ATOM 11 N MET A1857 29.131 19.037 15.618 1.00 37.32 N ATOM 12 CA MET A1857 29.249 18.231 16.840 1.00 38.10 C ATOM 13 C MET A1857 28.773 16.795 16.581 1.00 37.88 C ATOM 14 O MET A1857 27.637 16.552 16.099 1.00 36.64 O ATOM 15 CB MET A1857 28.442 18.865 17.952 1.00 40.22 C ATOM 16 CG MET A1857 29.011 18.579 19.291 1.00 44.13 C ATOM 17 SD MET A1857 27.903 18.971 20.618 1.00 47.66 S ATOM 18 CE MET A1857 27.175 20.561 20.218 1.00 48.03 C ATOM 19 H MET A1857 28.617 19.940 15.660 1.00 0.00 H ATOM 20 N SER A1858 29.699 15.845 16.722 1.00 39.16 N ATOM 21 CA SER A1858 29.393 14.430 16.484 1.00 40.41 C ATOM 22 C SER A1858 29.147 14.069 14.990 1.00 41.35 C ATOM 23 O SER A1858 28.513 13.047 14.684 1.00 45.29 O ATOM 24 CB SER A1858 28.219 13.961 17.370 1.00 42.19 C ATOM 25 OG SER A1858 28.421 14.257 18.749 1.00 44.23 O ATOM 26 HG SER A1858 27.643 13.937 19.271 1.00 0.00 H ATOM 27 H SER A1858 30.662 16.114 17.008 1.00 0.00 H ATOM 28 N VAL A1859 29.648 14.889 14.062 1.00 37.84 N ATOM 29 CA VAL A1859 29.459 14.639 12.631 1.00 39.78 C ATOM 30 C VAL A1859 30.773 14.973 12.007 1.00 42.51 C ATOM 31 O VAL A1859 31.087 16.147 11.774 1.00 39.52 O ATOM 32 CB VAL A1859 28.365 15.512 11.971 1.00 38.76 C ATOM 33 CG1 VAL A1859 28.230 15.184 10.466 1.00 41.22 C ATOM 34 CG2 VAL A1859 27.061 15.386 12.754 1.00 40.29 C ATOM 35 H VAL A1859 30.186 15.726 14.363 1.00 0.00 H ATOM 36 N LYS A1860 31.563 13.934 11.779 1.00 47.54 N ATOM 37 CA LYS A1860 32.924 14.115 11.307 1.00 51.37 C ATOM 38 C LYS A1860 33.055 13.696 9.879 1.00 48.72 C ATOM 39 O LYS A1860 32.591 12.625 9.506 1.00 44.72 O ATOM 40 CB LYS A1860 33.928 13.354 12.194 1.00 62.61 C ATOM 41 CG LYS A1860 33.785 11.835 12.242 1.00 74.82 C ATOM 42 CD LYS A1860 34.951 11.196 12.995 1.00101.31 C ATOM 43 CE LYS A1860 35.109 9.715 12.669 1.00110.71 C ATOM 44 NZ LYS A1860 33.946 8.898 13.117 1.00114.32 N ATOM 45 HZ1 LYS A1860 33.838 8.987 14.147 1.00 0.00 H ATOM 46 HZ2 LYS A1860 33.083 9.237 12.646 1.00 0.00 H ATOM 47 HZ3 LYS A1860 34.108 7.901 12.869 1.00 0.00 H ATOM 48 H LYS A1860 31.202 12.972 11.941 1.00 0.00 H ATOM 49 N LYS A1861 33.649 14.587 9.091 1.00 51.63 N ATOM 50 CA LYS A1861 33.987 14.298 7.720 1.00 59.50 C ATOM 51 C LYS A1861 35.196 13.379 7.755 1.00 56.98 C ATOM 52 O LYS A1861 36.072 13.543 8.615 1.00 50.09 O ATOM 53 CB LYS A1861 34.313 15.586 6.946 1.00 66.48 C ATOM 54 CG LYS A1861 34.525 15.377 5.448 1.00 76.11 C ATOM 55 CD LYS A1861 35.533 16.346 4.851 1.00 77.41 C ATOM 56 CE LYS A1861 34.919 17.705 4.569 1.00 71.59 C ATOM 57 NZ LYS A1861 34.540 18.392 5.837 1.00 64.93 N ATOM 58 HZ1 LYS A1861 33.846 17.811 6.350 1.00 0.00 H ATOM 59 HZ2 LYS A1861 35.387 18.523 6.425 1.00 0.00 H ATOM 60 HZ3 LYS A1861 34.123 19.319 5.616 1.00 0.00 H ATOM 61 H LYS A1861 33.878 15.525 9.477 1.00 0.00 H ATOM 62 N PRO A1862 35.237 12.390 6.854 1.00 59.95 N ATOM 63 CA PRO A1862 36.478 11.643 6.809 1.00 65.19 C ATOM 64 C PRO A1862 37.604 12.638 6.547 1.00 59.03 C ATOM 65 O PRO A1862 37.391 13.661 5.878 1.00 62.55 O ATOM 66 CB PRO A1862 36.282 10.696 5.616 1.00 74.49 C ATOM 67 CG PRO A1862 34.802 10.550 5.515 1.00 73.85 C ATOM 68 CD PRO A1862 34.284 11.908 5.833 1.00 69.71 C ATOM 69 N LYS A1863 38.764 12.398 7.118 1.00 60.85 N ATOM 70 CA LYS A1863 39.873 13.300 6.842 1.00 62.78 C ATOM 71 C LYS A1863 41.118 12.567 6.384 1.00 56.11 C ATOM 72 O LYS A1863 41.363 11.412 6.747 1.00 57.15 O ATOM 73 CB LYS A1863 40.152 14.252 8.015 1.00 66.43 C ATOM 74 CG LYS A1863 40.692 15.618 7.584 1.00 80.83 C ATOM 75 CD LYS A1863 40.069 16.157 6.284 1.00 86.10 C ATOM 76 CE LYS A1863 41.044 17.004 5.475 1.00 79.77 C ATOM 77 NZ LYS A1863 41.085 16.600 4.040 1.00 71.62 N ATOM 78 HZ1 LYS A1863 41.384 15.606 3.969 1.00 0.00 H ATOM 79 HZ2 LYS A1863 40.138 16.709 3.623 1.00 0.00 H ATOM 80 HZ3 LYS A1863 41.761 17.204 3.530 1.00 0.00 H ATOM 81 H LYS A1863 38.886 11.583 7.752 1.00 0.00 H ATOM 82 N ARG A1864 41.872 13.263 5.539 1.00 53.96 N ATOM 83 CA ARG A1864 43.060 12.707 4.946 1.00 52.38 C ATOM 84 C ARG A1864 44.025 12.252 6.014 1.00 46.34 C ATOM 85 O ARG A1864 44.054 12.797 7.117 1.00 47.08 O ATOM 86 CB ARG A1864 43.724 13.707 3.990 1.00 55.27 C ATOM 87 CG ARG A1864 44.239 14.976 4.644 1.00 50.49 C ATOM 88 CD ARG A1864 44.937 15.860 3.623 1.00 52.62 C ATOM 89 NE ARG A1864 46.242 15.330 3.222 1.00 46.25 N ATOM 90 CZ ARG A1864 47.340 15.366 3.990 1.00 42.07 C ATOM 91 NH1 ARG A1864 47.293 15.860 5.223 1.00 40.30 N ATOM 92 NH2 ARG A1864 48.471 14.850 3.523 1.00 41.47 N ATOM 93 HE ARG A1864 46.322 14.897 2.280 1.00 0.00 H ATOM 94 HH12 ARG A1864 48.153 15.882 5.808 1.00 0.00 H ATOM 95 HH11 ARG A1864 46.396 16.225 5.603 1.00 0.00 H ATOM 96 HH22 ARG A1864 49.332 14.870 4.106 1.00 0.00 H ATOM 97 HH21 ARG A1864 48.496 14.426 2.574 1.00 0.00 H ATOM 98 H ARG A1864 41.596 14.237 5.300 1.00 0.00 H ATOM 99 N ASP A1865 44.793 11.227 5.665 1.00 46.89 N ATOM 100 CA ASP A1865 45.814 10.666 6.525 1.00 48.25 C ATOM 101 C ASP A1865 46.974 11.680 6.566 1.00 43.20 C ATOM 102 O ASP A1865 47.674 11.837 5.582 1.00 41.56 O ATOM 103 CB ASP A1865 46.278 9.318 5.953 1.00 53.75 C ATOM 104 CG ASP A1865 47.449 8.725 6.708 1.00 56.38 C ATOM 105 OD1 ASP A1865 47.802 9.254 7.775 1.00 55.00 O ATOM 106 OD2 ASP A1865 48.009 7.718 6.237 1.00 62.88 O ATOM 107 H ASP A1865 44.654 10.805 4.725 1.00 0.00 H ATOM 108 N ASP A1866 47.156 12.358 7.692 1.00 42.54 N ATOM 109 CA ASP A1866 48.275 13.331 7.837 1.00 41.52 C ATOM 110 C ASP A1866 49.544 12.741 8.475 1.00 46.17 C ATOM 111 O ASP A1866 50.475 13.492 8.805 1.00 43.55 O ATOM 112 CB ASP A1866 47.804 14.565 8.642 1.00 42.03 C ATOM 113 CG ASP A1866 47.486 14.239 10.089 1.00 47.01 C ATOM 114 OD1 ASP A1866 47.714 13.103 10.516 1.00 49.63 O ATOM 115 OD2 ASP A1866 47.004 15.128 10.811 1.00 55.79 O ATOM 116 H ASP A1866 46.505 12.207 8.489 1.00 0.00 H ATOM 117 N SER A1867 49.601 11.412 8.652 1.00 38.23 N ATOM 118 CA SER A1867 50.674 10.805 9.465 1.00 40.17 C ATOM 119 C SER A1867 52.082 11.027 8.866 1.00 38.12 C ATOM 120 O SER A1867 53.064 11.131 9.616 1.00 37.55 O ATOM 121 CB SER A1867 50.395 9.303 9.701 1.00 47.61 C ATOM 122 OG SER A1867 50.371 8.602 8.473 1.00 53.22 O ATOM 123 HG SER A1867 49.658 8.974 7.896 1.00 0.00 H ATOM 124 H SER A1867 48.882 10.803 8.212 1.00 0.00 H ATOM 125 N LYS A1868 52.156 11.131 7.537 1.00 39.41 N ATOM 126 CA LYS A1868 53.427 11.289 6.800 1.00 35.87 C ATOM 127 C LYS A1868 53.817 12.721 6.508 1.00 31.26 C ATOM 128 O LYS A1868 54.829 12.965 5.866 1.00 36.78 O ATOM 129 CB LYS A1868 53.390 10.511 5.478 1.00 39.53 C ATOM 130 CG LYS A1868 53.073 9.021 5.654 1.00 48.48 C ATOM 131 CD LYS A1868 53.857 8.423 6.817 1.00 49.56 C ATOM 132 CE LYS A1868 53.742 6.895 6.886 1.00 72.83 C ATOM 133 NZ LYS A1868 52.475 6.404 7.513 1.00 53.56 N ATOM 134 HZ1 LYS A1868 52.411 6.760 8.488 1.00 0.00 H ATOM 135 HZ2 LYS A1868 51.662 6.748 6.963 1.00 0.00 H ATOM 136 HZ3 LYS A1868 52.474 5.364 7.522 1.00 0.00 H ATOM 137 H LYS A1868 51.271 11.099 6.991 1.00 0.00 H ATOM 138 N ASP A1869 53.007 13.680 6.957 1.00 32.33 N ATOM 139 CA ASP A1869 53.176 15.042 6.517 1.00 28.96 C ATOM 140 C ASP A1869 54.513 15.651 6.923 1.00 26.37 C ATOM 141 O ASP A1869 55.108 16.376 6.136 1.00 27.27 O ATOM 142 CB ASP A1869 52.021 15.927 7.021 1.00 29.45 C ATOM 143 CG ASP A1869 50.714 15.676 6.278 1.00 36.74 C ATOM 144 OD1 ASP A1869 50.674 14.795 5.379 1.00 31.84 O ATOM 145 OD2 ASP A1869 49.715 16.352 6.611 1.00 32.89 O ATOM 146 H ASP A1869 52.249 13.444 7.629 1.00 0.00 H ATOM 147 N LEU A1870 54.955 15.393 8.146 1.00 30.54 N ATOM 148 CA LEU A1870 56.237 15.934 8.628 1.00 31.85 C ATOM 149 C LEU A1870 57.411 15.488 7.737 1.00 28.37 C ATOM 150 O LEU A1870 58.161 16.348 7.250 1.00 28.95 O ATOM 151 CB LEU A1870 56.480 15.520 10.089 1.00 35.75 C ATOM 152 CG LEU A1870 57.692 16.142 10.788 1.00 38.63 C ATOM 153 CD1 LEU A1870 57.687 17.676 10.823 1.00 30.38 C ATOM 154 CD2 LEU A1870 57.779 15.550 12.191 1.00 38.34 C ATOM 155 H LEU A1870 54.384 14.796 8.778 1.00 0.00 H ATOM 156 N ALA A1871 57.523 14.173 7.525 1.00 32.48 N ATOM 157 CA ALA A1871 58.562 13.596 6.639 1.00 34.41 C ATOM 158 C ALA A1871 58.469 14.136 5.214 1.00 31.44 C ATOM 159 O ALA A1871 59.478 14.484 4.601 1.00 30.32 O ATOM 160 CB ALA A1871 58.486 12.069 6.650 1.00 35.94 C ATOM 161 H ALA A1871 56.856 13.531 7.999 1.00 0.00 H ATOM 162 N LEU A1872 57.255 14.264 4.690 1.00 31.16 N ATOM 163 CA LEU A1872 57.111 14.774 3.328 1.00 30.15 C ATOM 164 C LEU A1872 57.494 16.239 3.203 1.00 28.24 C ATOM 165 O LEU A1872 58.190 16.626 2.253 1.00 27.53 O ATOM 166 CB LEU A1872 55.702 14.514 2.796 1.00 29.36 C ATOM 167 CG LEU A1872 55.289 13.042 2.648 1.00 32.75 C ATOM 168 CD1 LEU A1872 53.785 12.880 2.538 1.00 35.34 C ATOM 169 CD2 LEU A1872 55.946 12.412 1.435 1.00 39.64 C ATOM 170 H LEU A1872 56.414 14.004 5.244 1.00 0.00 H ATOM 171 N CYS A1873 57.059 17.063 4.154 1.00 26.07 N ATOM 172 CA CYS A1873 57.471 18.475 4.165 1.00 25.92 C ATOM 173 C CYS A1873 58.982 18.638 4.341 1.00 26.34 C ATOM 174 O CYS A1873 59.595 19.469 3.659 1.00 24.22 O ATOM 175 CB CYS A1873 56.727 19.264 5.224 1.00 25.04 C ATOM 176 SG CYS A1873 54.962 19.531 4.878 1.00 25.65 S ATOM 177 H CYS A1873 56.423 16.705 4.895 1.00 0.00 H ATOM 178 N SER A1874 59.589 17.807 5.204 1.00 28.61 N ATOM 179 CA SER A1874 61.030 17.818 5.363 1.00 30.90 C ATOM 180 C SER A1874 61.744 17.499 4.036 1.00 28.79 C ATOM 181 O SER A1874 62.709 18.179 3.691 1.00 29.80 O ATOM 182 CB SER A1874 61.490 16.840 6.441 1.00 30.79 C ATOM 183 OG SER A1874 62.893 16.917 6.592 1.00 32.00 O ATOM 184 HG SER A1874 63.329 16.687 5.734 1.00 0.00 H ATOM 185 H SER A1874 59.017 17.146 5.767 1.00 0.00 H ATOM 186 N MET A1875 61.257 16.495 3.313 1.00 28.68 N ATOM 187 CA MET A1875 61.810 16.111 1.994 1.00 28.45 C ATOM 188 C MET A1875 61.685 17.237 0.994 1.00 28.80 C ATOM 189 O MET A1875 62.646 17.529 0.285 1.00 28.22 O ATOM 190 CB MET A1875 61.131 14.841 1.425 1.00 32.33 C ATOM 191 CG MET A1875 61.865 13.559 1.760 1.00 75.60 C ATOM 192 SD MET A1875 61.040 12.118 1.045 1.00 79.01 S ATOM 193 CE MET A1875 60.519 12.822 -0.508 1.00 39.67 C ATOM 194 H MET A1875 60.452 15.955 3.691 1.00 0.00 H ATOM 195 N ILE A1876 60.520 17.875 0.942 1.00 27.02 N ATOM 196 CA ILE A1876 60.330 19.031 0.047 1.00 26.60 C ATOM 197 C ILE A1876 61.300 20.149 0.406 1.00 26.28 C ATOM 198 O ILE A1876 61.994 20.727 -0.456 1.00 25.14 O ATOM 199 CB ILE A1876 58.871 19.519 0.036 1.00 22.95 C ATOM 200 CG1 ILE A1876 57.964 18.427 -0.537 1.00 29.10 C ATOM 201 CG2 ILE A1876 58.734 20.793 -0.819 1.00 24.75 C ATOM 202 CD1 ILE A1876 56.486 18.765 -0.482 1.00 28.22 C ATOM 203 H ILE A1876 59.732 17.554 1.541 1.00 0.00 H ATOM 204 N LEU A1877 61.416 20.409 1.697 1.00 22.99 N ATOM 205 CA LEU A1877 62.334 21.435 2.131 1.00 22.00 C ATOM 206 C LEU A1877 63.773 21.125 1.762 1.00 24.68 C ATOM 207 O LEU A1877 64.478 22.017 1.288 1.00 22.69 O ATOM 208 CB LEU A1877 62.191 21.709 3.630 1.00 21.97 C ATOM 209 CG LEU A1877 63.006 22.918 4.138 1.00 22.11 C ATOM 210 CD1 LEU A1877 62.703 24.218 3.434 1.00 22.05 C ATOM 211 CD2 LEU A1877 62.688 23.094 5.652 1.00 25.77 C ATOM 212 H LEU A1877 60.852 19.880 2.392 1.00 0.00 H ATOM 213 N THR A1878 64.199 19.877 1.945 1.00 26.13 N ATOM 214 CA THR A1878 65.545 19.441 1.533 1.00 28.22 C ATOM 215 C THR A1878 65.778 19.697 0.048 1.00 25.18 C ATOM 216 O THR A1878 66.796 20.274 -0.333 1.00 27.22 O ATOM 217 CB THR A1878 65.778 17.984 1.879 1.00 32.40 C ATOM 218 OG1 THR A1878 65.693 17.845 3.292 1.00 28.15 O ATOM 219 CG2 THR A1878 67.145 17.478 1.351 1.00 36.96 C ATOM 220 HG1 THR A1878 66.382 18.412 3.720 1.00 0.00 H ATOM 221 H THR A1878 63.562 19.188 2.393 1.00 0.00 H ATOM 222 N GLU A1879 64.789 19.358 -0.766 1.00 25.53 N ATOM 223 CA GLU A1879 64.871 19.581 -2.205 1.00 29.65 C ATOM 224 C GLU A1879 65.000 21.067 -2.532 1.00 28.01 C ATOM 225 O GLU A1879 65.766 21.452 -3.418 1.00 26.80 O ATOM 226 CB GLU A1879 63.676 18.918 -2.918 1.00 28.92 C ATOM 227 CG GLU A1879 63.781 17.401 -2.874 1.00 32.91 C ATOM 228 CD GLU A1879 62.497 16.651 -3.175 1.00 43.05 C ATOM 229 OE1 GLU A1879 61.431 17.277 -3.274 1.00 43.19 O ATOM 230 OE2 GLU A1879 62.566 15.405 -3.241 1.00 47.16 O ATOM 231 H GLU A1879 63.933 18.922 -0.369 1.00 0.00 H ATOM 232 N MET A1880 64.247 21.902 -1.826 1.00 24.14 N ATOM 233 CA MET A1880 64.342 23.341 -2.017 1.00 23.72 C ATOM 234 C MET A1880 65.714 23.845 -1.557 1.00 26.87 C ATOM 235 O MET A1880 66.350 24.608 -2.270 1.00 26.19 O ATOM 236 CB MET A1880 63.126 24.038 -1.370 1.00 23.71 C ATOM 237 CG MET A1880 61.833 23.955 -2.310 1.00 24.62 C ATOM 238 SD MET A1880 60.696 25.151 -1.580 1.00 36.51 S ATOM 239 CE MET A1880 60.571 24.702 0.158 1.00 34.15 C ATOM 240 H MET A1880 63.579 21.521 -1.126 1.00 0.00 H ATOM 241 N GLU A1881 66.193 23.379 -0.401 1.00 25.06 N ATOM 242 CA GLU A1881 67.512 23.806 0.119 1.00 27.05 C ATOM 243 C GLU A1881 68.676 23.492 -0.845 1.00 29.25 C ATOM 244 O GLU A1881 69.641 24.213 -0.869 1.00 27.92 O ATOM 245 CB GLU A1881 67.801 23.171 1.486 1.00 26.76 C ATOM 246 CG GLU A1881 66.928 23.656 2.620 1.00 26.94 C ATOM 247 CD GLU A1881 66.945 22.736 3.838 1.00 31.83 C ATOM 248 OE1 GLU A1881 67.307 21.545 3.761 1.00 33.01 O ATOM 249 OE2 GLU A1881 66.550 23.205 4.911 1.00 32.13 O ATOM 250 H GLU A1881 65.627 22.700 0.147 1.00 0.00 H ATOM 251 N THR A1882 68.574 22.427 -1.619 1.00 27.53 N ATOM 252 CA THR A1882 69.651 21.981 -2.512 1.00 30.18 C ATOM 253 C THR A1882 69.479 22.429 -3.979 1.00 28.41 C ATOM 254 O THR A1882 70.336 22.144 -4.817 1.00 31.93 O ATOM 255 CB THR A1882 69.817 20.453 -2.435 1.00 35.96 C ATOM 256 OG1 THR A1882 68.590 19.834 -2.808 1.00 34.47 O ATOM 257 CG2 THR A1882 70.167 20.026 -1.013 1.00 35.45 C ATOM 258 HG1 THR A1882 67.874 20.124 -2.189 1.00 0.00 H ATOM 259 H THR A1882 67.690 21.879 -1.595 1.00 0.00 H ATOM 260 N HIS A1883 68.428 23.184 -4.271 1.00 27.67 N ATOM 261 CA HIS A1883 68.227 23.726 -5.610 1.00 25.14 C ATOM 262 C HIS A1883 69.308 24.767 -5.852 1.00 26.59 C ATOM 263 O HIS A1883 69.626 25.549 -4.959 1.00 27.41 O ATOM 264 CB HIS A1883 66.849 24.359 -5.693 1.00 26.76 C ATOM 265 CG HIS A1883 66.391 24.704 -7.088 1.00 32.58 C ATOM 266 ND1 HIS A1883 67.005 25.627 -7.841 1.00 29.46 N ATOM 267 CD2 HIS A1883 65.302 24.266 -7.821 1.00 27.48 C ATOM 268 CE1 HIS A1883 66.349 25.777 -8.994 1.00 34.79 C ATOM 269 NE2 HIS A1883 65.317 24.924 -8.996 1.00 31.66 N ATOM 270 H HIS A1883 67.731 23.394 -3.528 1.00 0.00 H ATOM 271 N GLU A1884 69.873 24.804 -7.049 1.00 28.74 N ATOM 272 CA GLU A1884 70.913 25.817 -7.321 1.00 30.91 C ATOM 273 C GLU A1884 70.439 27.278 -7.178 1.00 31.09 C ATOM 274 O GLU A1884 71.242 28.154 -6.855 1.00 32.82 O ATOM 275 CB GLU A1884 71.637 25.574 -8.639 1.00 41.08 C ATOM 276 CG GLU A1884 71.000 26.151 -9.883 1.00 48.81 C ATOM 277 CD GLU A1884 71.930 26.107 -11.109 1.00 53.83 C ATOM 278 OE1 GLU A1884 72.644 27.098 -11.378 1.00 52.70 O ATOM 279 OE2 GLU A1884 71.955 25.073 -11.794 1.00 68.52 O ATOM 280 H GLU A1884 69.588 24.129 -7.787 1.00 0.00 H ATOM 281 N ASP A1885 69.143 27.537 -7.372 1.00 26.64 N ATOM 282 CA ASP A1885 68.600 28.886 -7.259 1.00 23.36 C ATOM 283 C ASP A1885 68.104 29.238 -5.844 1.00 23.06 C ATOM 284 O ASP A1885 67.440 30.238 -5.652 1.00 23.95 O ATOM 285 CB ASP A1885 67.493 29.133 -8.295 1.00 28.82 C ATOM 286 CG ASP A1885 67.999 29.119 -9.751 1.00 30.61 C ATOM 287 OD1 ASP A1885 69.227 29.299 -10.053 1.00 29.94 O ATOM 288 OD2 ASP A1885 67.118 28.963 -10.637 1.00 31.80 O ATOM 289 H ASP A1885 68.502 26.753 -7.611 1.00 0.00 H ATOM 290 N ALA A1886 68.428 28.406 -4.865 1.00 23.50 N ATOM 291 CA ALA A1886 68.004 28.611 -3.491 1.00 24.05 C ATOM 292 C ALA A1886 68.850 29.651 -2.774 1.00 25.13 C ATOM 293 O ALA A1886 68.465 30.072 -1.700 1.00 23.95 O ATOM 294 CB ALA A1886 68.014 27.298 -2.708 1.00 23.26 C ATOM 295 H ALA A1886 69.009 27.573 -5.089 1.00 0.00 H ATOM 296 N TRP A1887 69.981 30.055 -3.353 1.00 24.65 N ATOM 297 CA TRP A1887 70.958 30.908 -2.605 1.00 22.34 C ATOM 298 C TRP A1887 70.414 32.188 -2.001 1.00 21.25 C ATOM 299 O TRP A1887 70.874 32.582 -0.903 1.00 24.81 O ATOM 300 CB TRP A1887 72.204 31.155 -3.438 1.00 25.96 C ATOM 301 CG TRP A1887 71.895 31.837 -4.733 1.00 26.73 C ATOM 302 CD1 TRP A1887 71.638 31.254 -5.968 1.00 30.84 C ATOM 303 CD2 TRP A1887 71.801 33.262 -4.945 1.00 25.96 C ATOM 304 NE1 TRP A1887 71.381 32.212 -6.908 1.00 31.69 N ATOM 305 CE2 TRP A1887 71.450 33.448 -6.345 1.00 32.01 C ATOM 306 CE3 TRP A1887 71.979 34.382 -4.131 1.00 23.78 C ATOM 307 CZ2 TRP A1887 71.298 34.709 -6.894 1.00 35.65 C ATOM 308 CZ3 TRP A1887 71.799 35.635 -4.688 1.00 27.81 C ATOM 309 CH2 TRP A1887 71.468 35.788 -6.044 1.00 30.68 C ATOM 310 HE1 TRP A1887 71.164 32.023 -7.908 1.00 0.00 H ATOM 311 H TRP A1887 70.186 29.775 -4.333 1.00 0.00 H ATOM 312 N PRO A1888 69.420 32.863 -2.615 1.00 21.23 N ATOM 313 CA PRO A1888 68.923 34.093 -1.944 1.00 22.02 C ATOM 314 C PRO A1888 68.106 33.837 -0.666 1.00 21.96 C ATOM 315 O PRO A1888 67.841 34.782 0.070 1.00 21.09 O ATOM 316 CB PRO A1888 67.986 34.728 -2.997 1.00 20.65 C ATOM 317 CG PRO A1888 68.345 34.068 -4.278 1.00 22.73 C ATOM 318 CD PRO A1888 68.702 32.671 -3.909 1.00 24.51 C ATOM 319 N PHE A1889 67.720 32.570 -0.444 1.00 20.30 N ATOM 320 CA PHE A1889 66.673 32.187 0.533 1.00 22.93 C ATOM 321 C PHE A1889 67.176 31.293 1.649 1.00 22.95 C ATOM 322 O PHE A1889 66.384 30.886 2.529 1.00 23.40 O ATOM 323 CB PHE A1889 65.517 31.502 -0.194 1.00 21.95 C ATOM 324 CG PHE A1889 65.052 32.245 -1.421 1.00 19.29 C ATOM 325 CD1 PHE A1889 64.596 33.580 -1.346 1.00 18.89 C ATOM 326 CD2 PHE A1889 65.243 31.690 -2.681 1.00 20.68 C ATOM 327 CE1 PHE A1889 64.225 34.279 -2.462 1.00 22.99 C ATOM 328 CE2 PHE A1889 64.868 32.397 -3.827 1.00 25.93 C ATOM 329 CZ PHE A1889 64.377 33.688 -3.723 1.00 22.73 C ATOM 330 H PHE A1889 68.182 31.814 -0.989 1.00 0.00 H ATOM 331 N LEU A1890 68.465 30.990 1.643 1.00 22.34 N ATOM 332 CA LEU A1890 68.994 29.986 2.578 1.00 21.14 C ATOM 333 C LEU A1890 69.047 30.477 4.014 1.00 24.19 C ATOM 334 O LEU A1890 68.873 29.674 4.929 1.00 24.47 O ATOM 335 CB LEU A1890 70.355 29.440 2.159 1.00 24.78 C ATOM 336 CG LEU A1890 70.380 28.717 0.810 1.00 24.17 C ATOM 337 CD1 LEU A1890 71.798 28.247 0.491 1.00 27.11 C ATOM 338 CD2 LEU A1890 69.362 27.568 0.832 1.00 29.72 C ATOM 339 H LEU A1890 69.106 31.464 0.975 1.00 0.00 H ATOM 340 N LEU A1891 69.287 31.766 4.192 1.00 23.67 N ATOM 341 CA LEU A1891 69.475 32.393 5.526 1.00 24.21 C ATOM 342 C LEU A1891 68.636 33.662 5.598 1.00 25.38 C ATOM 343 O LEU A1891 68.257 34.244 4.569 1.00 20.81 O ATOM 344 CB LEU A1891 70.954 32.740 5.722 1.00 23.94 C ATOM 345 CG LEU A1891 71.987 31.613 5.798 1.00 25.28 C ATOM 346 CD1 LEU A1891 73.424 32.127 5.827 1.00 31.79 C ATOM 347 CD2 LEU A1891 71.692 30.719 6.993 1.00 30.01 C ATOM 348 H LEU A1891 69.347 32.375 3.351 1.00 0.00 H ATOM 349 N PRO A1892 68.340 34.140 6.819 1.00 25.51 N ATOM 350 CA PRO A1892 67.667 35.420 6.933 1.00 23.14 C ATOM 351 C PRO A1892 68.461 36.556 6.272 1.00 24.41 C ATOM 352 O PRO A1892 69.704 36.526 6.245 1.00 22.99 O ATOM 353 CB PRO A1892 67.584 35.695 8.433 1.00 28.40 C ATOM 354 CG PRO A1892 68.006 34.458 9.098 1.00 30.58 C ATOM 355 CD PRO A1892 68.680 33.548 8.119 1.00 25.43 C ATOM 356 N VAL A1893 67.714 37.464 5.649 1.00 23.53 N ATOM 357 CA VAL A1893 68.294 38.654 5.063 1.00 22.67 C ATOM 358 C VAL A1893 68.946 39.458 6.133 1.00 27.22 C ATOM 359 O VAL A1893 68.347 39.666 7.204 1.00 28.18 O ATOM 360 CB VAL A1893 67.226 39.524 4.363 1.00 26.34 C ATOM 361 CG1 VAL A1893 67.856 40.848 3.852 1.00 29.11 C ATOM 362 CG2 VAL A1893 66.542 38.711 3.271 1.00 23.60 C ATOM 363 H VAL A1893 66.687 37.315 5.581 1.00 0.00 H ATOM 364 N ASN A1894 70.181 39.862 5.864 1.00 26.95 N ATOM 365 CA ASN A1894 70.971 40.666 6.794 1.00 30.85 C ATOM 366 C ASN A1894 70.526 42.136 6.711 1.00 34.97 C ATOM 367 O ASN A1894 70.774 42.822 5.734 1.00 35.29 O ATOM 368 CB ASN A1894 72.468 40.562 6.469 1.00 30.34 C ATOM 369 CG ASN A1894 73.347 41.251 7.504 1.00 38.96 C ATOM 370 OD1 ASN A1894 72.926 42.196 8.155 1.00 44.54 O ATOM 371 ND2 ASN A1894 74.574 40.788 7.643 1.00 42.23 N ATOM 372 HD22 ASN A1894 74.894 39.981 7.069 1.00 0.00 H ATOM 373 HD21 ASN A1894 75.222 41.229 8.326 1.00 0.00 H ATOM 374 H ASN A1894 70.605 39.595 4.953 1.00 0.00 H ATOM 375 N LEU A1895 69.853 42.582 7.748 1.00 37.79 N ATOM 376 CA LEU A1895 69.311 43.935 7.751 1.00 50.59 C ATOM 377 C LEU A1895 70.322 45.091 7.658 1.00 64.50 C ATOM 378 O LEU A1895 69.892 46.228 7.479 1.00 63.75 O ATOM 379 CB LEU A1895 68.403 44.120 8.956 1.00 53.45 C ATOM 380 CG LEU A1895 67.275 43.100 9.082 1.00 48.31 C ATOM 381 CD1 LEU A1895 66.424 43.414 10.295 1.00 60.95 C ATOM 382 CD2 LEU A1895 66.393 43.026 7.832 1.00 53.59 C ATOM 383 H LEU A1895 69.706 41.965 8.572 1.00 0.00 H ATOM 384 N LYS A1896 71.633 44.812 7.717 1.00 49.64 N ATOM 385 CA LYS A1896 72.676 45.834 7.553 1.00 55.43 C ATOM 386 C LYS A1896 73.184 45.902 6.114 1.00 48.84 C ATOM 387 O LYS A1896 73.635 46.945 5.650 1.00 46.83 O ATOM 388 CB LYS A1896 73.883 45.561 8.475 1.00 73.88 C ATOM 389 CG LYS A1896 73.581 44.904 9.817 1.00 98.72 C ATOM 390 CD LYS A1896 72.745 45.759 10.754 1.00113.45 C ATOM 391 CE LYS A1896 72.351 44.957 11.986 1.00117.15 C ATOM 392 NZ LYS A1896 72.093 45.818 13.171 1.00134.62 N ATOM 393 HZ1 LYS A1896 72.953 46.356 13.401 1.00 0.00 H ATOM 394 HZ2 LYS A1896 71.317 46.477 12.957 1.00 0.00 H ATOM 395 HZ3 LYS A1896 71.829 45.221 13.981 1.00 0.00 H ATOM 396 H LYS A1896 71.924 43.828 7.886 1.00 0.00 H ATOM 397 N LEU A1897 73.144 44.784 5.414 1.00 33.44 N ATOM 398 CA LEU A1897 73.546 44.724 4.035 1.00 46.05 C ATOM 399 C LEU A1897 72.398 45.144 3.135 1.00 49.83 C ATOM 400 O LEU A1897 72.636 45.439 1.956 1.00 46.84 O ATOM 401 CB LEU A1897 73.970 43.291 3.653 1.00 43.26 C ATOM 402 CG LEU A1897 75.392 42.835 4.011 1.00 72.45 C ATOM 403 CD1 LEU A1897 75.836 43.335 5.384 1.00 81.95 C ATOM 404 CD2 LEU A1897 75.493 41.316 3.920 1.00 43.59 C ATOM 405 H LEU A1897 72.810 43.915 5.877 1.00 0.00 H ATOM 406 N VAL A1898 71.151 45.098 3.644 1.00 35.56 N ATOM 407 CA VAL A1898 70.030 45.257 2.749 1.00 28.86 C ATOM 408 C VAL A1898 69.161 46.412 3.192 1.00 48.30 C ATOM 409 O VAL A1898 68.187 46.169 3.912 1.00 38.46 O ATOM 410 CB VAL A1898 69.211 43.952 2.525 1.00 31.61 C ATOM 411 CG1 VAL A1898 68.103 44.159 1.504 1.00 30.22 C ATOM 412 CG2 VAL A1898 70.144 42.842 2.054 1.00 34.55 C ATOM 413 H VAL A1898 70.999 44.951 4.662 1.00 0.00 H ATOM 414 N PRO A1899 69.535 47.653 2.751 1.00 58.84 N ATOM 415 CA PRO A1899 68.753 48.864 2.991 1.00 83.22 C ATOM 416 C PRO A1899 67.358 48.665 2.454 1.00 55.20 C ATOM 417 O PRO A1899 67.191 48.273 1.280 1.00 37.29 O ATOM 418 CB PRO A1899 69.507 49.981 2.201 1.00 59.93 C ATOM 419 CG PRO A1899 70.360 49.253 1.246 1.00 77.09 C ATOM 420 CD PRO A1899 70.737 47.971 1.951 1.00 64.13 C ATOM 421 N GLY A1900 66.399 48.900 3.349 1.00 36.09 N ATOM 422 CA GLY A1900 64.979 48.872 3.077 1.00 37.65 C ATOM 423 C GLY A1900 64.250 47.641 3.592 1.00 31.92 C ATOM 424 O GLY A1900 63.058 47.712 3.821 1.00 28.82 O ATOM 425 H GLY A1900 66.696 49.121 4.321 1.00 0.00 H ATOM 426 N TYR A1901 64.932 46.506 3.767 1.00 28.09 N ATOM 427 CA TYR A1901 64.213 45.248 3.986 1.00 25.44 C ATOM 428 C TYR A1901 63.485 45.283 5.323 1.00 25.85 C ATOM 429 O TYR A1901 62.376 44.750 5.423 1.00 28.60 O ATOM 430 CB TYR A1901 65.127 43.996 3.857 1.00 25.11 C ATOM 431 CG TYR A1901 64.473 42.632 4.093 1.00 23.48 C ATOM 432 CD1 TYR A1901 64.361 42.109 5.369 1.00 25.13 C ATOM 433 CD2 TYR A1901 64.018 41.847 3.031 1.00 30.64 C ATOM 434 CE1 TYR A1901 63.786 40.869 5.597 1.00 28.17 C ATOM 435 CE2 TYR A1901 63.464 40.600 3.245 1.00 25.38 C ATOM 436 CZ TYR A1901 63.344 40.111 4.535 1.00 28.70 C ATOM 437 OH TYR A1901 62.790 38.860 4.754 1.00 29.08 O ATOM 438 HH TYR A1901 63.331 38.175 4.287 1.00 0.00 H ATOM 439 H TYR A1901 65.972 46.515 3.748 1.00 0.00 H ATOM 440 N LYS A1902 64.080 45.909 6.317 1.00 28.48 N ATOM 441 CA LYS A1902 63.503 45.975 7.662 1.00 34.15 C ATOM 442 C LYS A1902 62.113 46.609 7.655 1.00 34.57 C ATOM 443 O LYS A1902 61.172 46.072 8.257 1.00 31.59 O ATOM 444 CB LYS A1902 64.453 46.731 8.594 1.00 36.44 C ATOM 445 CG LYS A1902 63.947 47.005 10.015 1.00 52.12 C ATOM 446 CD LYS A1902 63.819 45.734 10.843 1.00 57.94 C ATOM 447 CE LYS A1902 63.417 46.019 12.290 1.00 70.99 C ATOM 448 NZ LYS A1902 64.541 46.590 13.079 1.00 69.35 N ATOM 449 HZ1 LYS A1902 65.334 45.917 13.088 1.00 0.00 H ATOM 450 HZ2 LYS A1902 64.849 47.484 12.645 1.00 0.00 H ATOM 451 HZ3 LYS A1902 64.224 46.768 14.053 1.00 0.00 H ATOM 452 H LYS A1902 64.993 46.374 6.141 1.00 0.00 H ATOM 453 N LYS A1903 61.963 47.732 6.957 1.00 32.33 N ATOM 454 CA LYS A1903 60.727 48.483 7.031 1.00 32.42 C ATOM 455 C LYS A1903 59.715 47.868 6.076 1.00 30.60 C ATOM 456 O LYS A1903 58.544 47.798 6.395 1.00 34.71 O ATOM 457 CB LYS A1903 60.938 49.983 6.723 1.00 33.73 C ATOM 458 CG LYS A1903 59.652 50.805 6.646 1.00 35.39 C ATOM 459 CD LYS A1903 58.880 50.881 7.972 1.00 37.20 C ATOM 460 CE LYS A1903 57.808 51.963 7.985 1.00 43.24 C ATOM 461 NZ LYS A1903 58.330 53.314 8.240 1.00 41.69 N ATOM 462 HZ1 LYS A1903 58.800 53.333 9.168 1.00 0.00 H ATOM 463 HZ2 LYS A1903 59.014 53.566 7.498 1.00 0.00 H ATOM 464 HZ3 LYS A1903 57.544 53.995 8.234 1.00 0.00 H ATOM 465 H LYS A1903 62.739 48.073 6.354 1.00 0.00 H ATOM 466 N VAL A1904 60.169 47.451 4.901 1.00 29.86 N ATOM 467 CA VAL A1904 59.282 47.045 3.842 1.00 28.45 C ATOM 468 C VAL A1904 58.669 45.662 4.084 1.00 29.83 C ATOM 469 O VAL A1904 57.478 45.475 3.796 1.00 29.45 O ATOM 470 CB VAL A1904 60.017 47.081 2.490 1.00 30.19 C ATOM 471 CG1 VAL A1904 59.195 46.407 1.371 1.00 30.01 C ATOM 472 CG2 VAL A1904 60.403 48.530 2.142 1.00 29.37 C ATOM 473 H VAL A1904 61.196 47.416 4.740 1.00 0.00 H ATOM 474 N ILE A1905 59.464 44.701 4.581 1.00 26.82 N ATOM 475 CA ILE A1905 59.043 43.285 4.677 1.00 25.70 C ATOM 476 C ILE A1905 58.630 42.999 6.115 1.00 28.42 C ATOM 477 O ILE A1905 59.469 42.897 7.019 1.00 30.84 O ATOM 478 CB ILE A1905 60.118 42.297 4.209 1.00 26.44 C ATOM 479 CG1 ILE A1905 60.465 42.531 2.739 1.00 26.04 C ATOM 480 CG2 ILE A1905 59.644 40.842 4.425 1.00 21.88 C ATOM 481 CD1 ILE A1905 59.309 42.430 1.717 1.00 25.13 C ATOM 482 H ILE A1905 60.415 44.962 4.912 1.00 0.00 H ATOM 483 N LYS A1906 57.319 42.984 6.321 1.00 29.24 N ATOM 484 CA LYS A1906 56.749 42.944 7.647 1.00 31.50 C ATOM 485 C LYS A1906 56.956 41.593 8.322 1.00 30.16 C ATOM 486 O LYS A1906 56.996 41.537 9.546 1.00 30.86 O ATOM 487 CB LYS A1906 55.253 43.265 7.594 1.00 37.38 C ATOM 488 CG LYS A1906 54.895 44.672 7.065 1.00 39.40 C ATOM 489 CD LYS A1906 55.826 45.773 7.540 1.00 44.03 C ATOM 490 CE LYS A1906 55.308 47.129 7.079 1.00 60.09 C ATOM 491 NZ LYS A1906 56.242 48.250 7.398 1.00 59.54 N ATOM 492 HZ1 LYS A1906 56.384 48.299 8.427 1.00 0.00 H ATOM 493 HZ2 LYS A1906 57.155 48.084 6.928 1.00 0.00 H ATOM 494 HZ3 LYS A1906 55.835 49.145 7.060 1.00 0.00 H ATOM 495 H LYS A1906 56.681 43.002 5.500 1.00 0.00 H ATOM 496 N LYS A1907 57.039 40.524 7.544 1.00 26.24 N ATOM 497 CA LYS A1907 57.165 39.155 8.084 1.00 27.05 C ATOM 498 C LYS A1907 58.285 38.449 7.317 1.00 25.40 C ATOM 499 O LYS A1907 58.057 37.709 6.369 1.00 23.96 O ATOM 500 CB LYS A1907 55.840 38.417 7.963 1.00 32.19 C ATOM 501 CG LYS A1907 54.736 38.919 8.885 1.00 39.97 C ATOM 502 CD LYS A1907 53.335 38.506 8.400 1.00 67.75 C ATOM 503 CE LYS A1907 53.170 37.027 8.015 1.00 83.02 C ATOM 504 NZ LYS A1907 52.550 36.830 6.652 1.00 42.54 N ATOM 505 HZ1 LYS A1907 51.606 37.266 6.636 1.00 0.00 H ATOM 506 HZ2 LYS A1907 53.152 37.277 5.931 1.00 0.00 H ATOM 507 HZ3 LYS A1907 52.467 35.812 6.454 1.00 0.00 H ATOM 508 H LYS A1907 57.014 40.654 6.512 1.00 0.00 H ATOM 509 N PRO A1908 59.542 38.706 7.713 1.00 21.93 N ATOM 510 CA PRO A1908 60.636 38.033 7.043 1.00 22.58 C ATOM 511 C PRO A1908 60.532 36.518 7.186 1.00 25.04 C ATOM 512 O PRO A1908 60.070 36.000 8.223 1.00 23.03 O ATOM 513 CB PRO A1908 61.874 38.515 7.808 1.00 29.75 C ATOM 514 CG PRO A1908 61.453 39.793 8.416 1.00 35.49 C ATOM 515 CD PRO A1908 60.029 39.546 8.807 1.00 25.78 C ATOM 516 N MET A1909 60.982 35.828 6.160 1.00 22.26 N ATOM 517 CA MET A1909 61.090 34.363 6.242 1.00 19.65 C ATOM 518 C MET A1909 62.171 33.890 5.298 1.00 22.72 C ATOM 519 O MET A1909 62.452 34.544 4.280 1.00 23.03 O ATOM 520 CB MET A1909 59.738 33.708 5.875 1.00 19.91 C ATOM 521 CG MET A1909 59.581 32.224 6.164 1.00 23.37 C ATOM 522 SD MET A1909 60.110 31.690 7.814 1.00 22.68 S ATOM 523 CE MET A1909 59.023 32.718 8.809 1.00 25.65 C ATOM 524 H MET A1909 61.262 36.320 5.288 1.00 0.00 H ATOM 525 N ASP A1910 62.728 32.716 5.606 1.00 19.32 N ATOM 526 CA ASP A1910 63.838 32.129 4.846 1.00 17.00 C ATOM 527 C ASP A1910 63.837 30.642 5.130 1.00 20.87 C ATOM 528 O ASP A1910 63.210 30.213 6.101 1.00 20.65 O ATOM 529 CB ASP A1910 65.180 32.770 5.222 1.00 21.75 C ATOM 530 CG ASP A1910 65.649 32.336 6.566 1.00 22.86 C ATOM 531 OD1 ASP A1910 66.434 31.363 6.622 1.00 24.33 O ATOM 532 OD2 ASP A1910 65.217 32.953 7.565 1.00 23.71 O ATOM 533 H ASP A1910 62.357 32.192 6.424 1.00 0.00 H ATOM 534 N PHE A1911 64.553 29.865 4.312 1.00 18.89 N ATOM 535 CA PHE A1911 64.535 28.393 4.423 1.00 18.42 C ATOM 536 C PHE A1911 65.113 27.874 5.733 1.00 19.94 C ATOM 537 O PHE A1911 64.607 26.880 6.273 1.00 21.62 O ATOM 538 CB PHE A1911 65.245 27.696 3.267 1.00 20.69 C ATOM 539 CG PHE A1911 64.618 27.892 1.899 1.00 21.44 C ATOM 540 CD1 PHE A1911 63.335 28.417 1.725 1.00 21.91 C ATOM 541 CD2 PHE A1911 65.325 27.510 0.779 1.00 23.23 C ATOM 542 CE1 PHE A1911 62.784 28.582 0.443 1.00 23.96 C ATOM 543 CE2 PHE A1911 64.784 27.664 -0.480 1.00 22.42 C ATOM 544 CZ PHE A1911 63.524 28.215 -0.643 1.00 23.79 C ATOM 545 H PHE A1911 65.139 30.310 3.577 1.00 0.00 H ATOM 546 N SER A1912 66.125 28.527 6.283 1.00 20.21 N ATOM 547 CA SER A1912 66.708 28.076 7.534 1.00 20.59 C ATOM 548 C SER A1912 65.745 28.284 8.720 1.00 23.47 C ATOM 549 O SER A1912 65.674 27.451 9.624 1.00 23.15 O ATOM 550 CB SER A1912 68.055 28.770 7.803 1.00 24.60 C ATOM 551 OG SER A1912 67.895 30.107 8.264 1.00 23.75 O ATOM 552 HG SER A1912 67.410 30.635 7.581 1.00 0.00 H ATOM 553 H SER A1912 66.507 29.373 5.814 1.00 0.00 H ATOM 554 N THR A1913 64.954 29.335 8.669 1.00 20.99 N ATOM 555 CA THR A1913 63.945 29.577 9.707 1.00 22.03 C ATOM 556 C THR A1913 62.812 28.567 9.586 1.00 22.09 C ATOM 557 O THR A1913 62.346 27.994 10.585 1.00 23.00 O ATOM 558 CB THR A1913 63.437 31.036 9.634 1.00 21.93 C ATOM 559 OG1 THR A1913 64.555 31.938 9.837 1.00 21.68 O ATOM 560 CG2 THR A1913 62.374 31.308 10.710 1.00 24.66 C ATOM 561 HG1 THR A1913 64.957 31.769 10.726 1.00 0.00 H ATOM 562 H THR A1913 65.046 30.006 7.879 1.00 0.00 H ATOM 563 N ILE A1914 62.399 28.285 8.360 1.00 19.82 N ATOM 564 CA ILE A1914 61.420 27.207 8.152 1.00 21.22 C ATOM 565 C ILE A1914 61.934 25.849 8.670 1.00 24.97 C ATOM 566 O ILE A1914 61.191 25.112 9.331 1.00 21.54 O ATOM 567 CB ILE A1914 60.970 27.116 6.671 1.00 19.16 C ATOM 568 CG1 ILE A1914 60.255 28.366 6.192 1.00 20.43 C ATOM 569 CG2 ILE A1914 60.067 25.878 6.400 1.00 19.41 C ATOM 570 CD1 ILE A1914 60.024 28.430 4.674 1.00 18.26 C ATOM 571 H ILE A1914 62.765 28.823 7.548 1.00 0.00 H ATOM 572 N ARG A1915 63.187 25.519 8.372 1.00 21.30 N ATOM 573 CA ARG A1915 63.813 24.259 8.815 1.00 24.82 C ATOM 574 C ARG A1915 63.810 24.186 10.341 1.00 27.16 C ATOM 575 O ARG A1915 63.426 23.160 10.922 1.00 24.32 O ATOM 576 CB ARG A1915 65.231 24.124 8.286 1.00 21.67 C ATOM 577 CG ARG A1915 65.998 22.938 8.782 1.00 25.46 C ATOM 578 CD ARG A1915 65.402 21.627 8.377 1.00 29.10 C ATOM 579 NE ARG A1915 65.584 21.342 6.940 1.00 28.62 N ATOM 580 CZ ARG A1915 65.037 20.290 6.353 1.00 30.15 C ATOM 581 NH1 ARG A1915 64.302 19.473 7.059 1.00 28.86 N ATOM 582 NH2 ARG A1915 65.234 20.034 5.072 1.00 31.19 N ATOM 583 HE ARG A1915 66.162 21.991 6.369 1.00 0.00 H ATOM 584 HH12 ARG A1915 63.867 18.643 6.608 1.00 0.00 H ATOM 585 HH11 ARG A1915 64.152 19.653 8.072 1.00 0.00 H ATOM 586 HH22 ARG A1915 64.792 19.200 4.634 1.00 0.00 H ATOM 587 HH21 ARG A1915 65.831 20.666 4.501 1.00 0.00 H ATOM 588 H ARG A1915 63.752 26.179 7.800 1.00 0.00 H ATOM 589 N GLU A1916 64.167 25.281 10.977 1.00 24.31 N ATOM 590 CA GLU A1916 64.175 25.315 12.436 1.00 24.39 C ATOM 591 C GLU A1916 62.795 25.088 13.011 1.00 28.82 C ATOM 592 O GLU A1916 62.654 24.318 13.967 1.00 27.54 O ATOM 593 CB GLU A1916 64.769 26.594 12.979 1.00 25.81 C ATOM 594 CG GLU A1916 64.922 26.644 14.495 1.00 33.74 C ATOM 595 CD GLU A1916 65.869 25.595 15.075 1.00 36.64 C ATOM 596 OE1 GLU A1916 66.911 25.338 14.447 1.00 39.33 O ATOM 597 OE2 GLU A1916 65.602 25.046 16.195 1.00 35.75 O ATOM 598 H GLU A1916 64.445 26.126 10.438 1.00 0.00 H ATOM 599 N LYS A1917 61.801 25.774 12.445 1.00 26.52 N ATOM 600 CA LYS A1917 60.403 25.649 12.878 1.00 26.70 C ATOM 601 C LYS A1917 59.864 24.212 12.640 1.00 23.94 C ATOM 602 O LYS A1917 59.213 23.606 13.508 1.00 25.16 O ATOM 603 CB LYS A1917 59.526 26.693 12.172 1.00 24.31 C ATOM 604 CG LYS A1917 59.699 28.125 12.643 1.00 27.95 C ATOM 605 CD LYS A1917 58.879 29.106 11.834 1.00 23.57 C ATOM 606 CE LYS A1917 57.379 28.984 12.079 1.00 27.39 C ATOM 607 NZ LYS A1917 56.682 30.189 11.531 1.00 25.37 N ATOM 608 HZ1 LYS A1917 57.042 31.042 12.005 1.00 0.00 H ATOM 609 HZ2 LYS A1917 56.862 30.257 10.509 1.00 0.00 H ATOM 610 HZ3 LYS A1917 55.659 30.103 11.700 1.00 0.00 H ATOM 611 H LYS A1917 62.025 26.424 11.665 1.00 0.00 H ATOM 612 N LEU A1918 60.182 23.633 11.491 1.00 24.99 N ATOM 613 CA LEU A1918 59.819 22.265 11.198 1.00 24.44 C ATOM 614 C LEU A1918 60.449 21.248 12.153 1.00 31.77 C ATOM 615 O LEU A1918 59.784 20.332 12.606 1.00 33.04 O ATOM 616 CB LEU A1918 60.213 21.909 9.743 1.00 29.36 C ATOM 617 CG LEU A1918 59.555 20.668 9.140 1.00 28.40 C ATOM 618 CD1 LEU A1918 58.036 20.734 9.027 1.00 23.30 C ATOM 619 CD2 LEU A1918 60.140 20.426 7.749 1.00 30.78 C ATOM 620 H LEU A1918 60.708 24.179 10.779 1.00 0.00 H ATOM 621 N SER A1919 61.723 21.422 12.477 1.00 27.81 N ATOM 622 CA SER A1919 62.462 20.541 13.376 1.00 27.56 C ATOM 623 C SER A1919 62.019 20.665 14.839 1.00 29.15 C ATOM 624 O SER A1919 62.328 19.817 15.662 1.00 31.15 O ATOM 625 CB SER A1919 63.958 20.784 13.257 1.00 31.98 C ATOM 626 OG SER A1919 64.449 20.329 11.993 1.00 36.70 O ATOM 627 HG SER A1919 65.423 20.497 11.939 1.00 0.00 H ATOM 628 H SER A1919 62.226 22.235 12.066 1.00 0.00 H ATOM 629 N SER A1920 61.261 21.706 15.147 1.00 29.40 N ATOM 630 CA SER A1920 60.953 22.016 16.542 1.00 29.56 C ATOM 631 C SER A1920 59.433 22.059 16.797 1.00 31.43 C ATOM 632 O SER A1920 58.989 22.592 17.811 1.00 29.25 O ATOM 633 CB SER A1920 61.627 23.350 16.946 1.00 28.86 C ATOM 634 OG SER A1920 61.079 24.430 16.210 1.00 27.89 O ATOM 635 HG SER A1920 61.225 24.277 15.243 1.00 0.00 H ATOM 636 H SER A1920 60.881 22.309 14.389 1.00 0.00 H ATOM 637 N GLY A1921 58.627 21.474 15.889 1.00 28.80 N ATOM 638 CA GLY A1921 57.213 21.327 16.144 1.00 29.38 C ATOM 639 C GLY A1921 56.401 22.606 16.104 1.00 24.85 C ATOM 640 O GLY A1921 55.350 22.690 16.725 1.00 30.21 O ATOM 641 H GLY A1921 59.028 21.125 14.995 1.00 0.00 H ATOM 642 N GLN A1922 56.869 23.606 15.362 1.00 25.53 N ATOM 643 CA GLN A1922 56.192 24.901 15.311 1.00 27.26 C ATOM 644 C GLN A1922 55.236 25.059 14.126 1.00 30.70 C ATOM 645 O GLN A1922 54.590 26.107 13.983 1.00 29.83 O ATOM 646 CB GLN A1922 57.234 26.030 15.322 1.00 25.34 C ATOM 647 CG GLN A1922 57.993 26.131 16.655 1.00 29.06 C ATOM 648 CD GLN A1922 58.965 27.303 16.645 1.00 34.48 C ATOM 649 OE1 GLN A1922 58.532 28.432 16.547 1.00 36.46 O ATOM 650 NE2 GLN A1922 60.267 27.027 16.648 1.00 31.31 N ATOM 651 HE22 GLN A1922 60.590 26.042 16.734 1.00 0.00 H ATOM 652 HE21 GLN A1922 60.962 27.796 16.564 1.00 0.00 H ATOM 653 H GLN A1922 57.736 23.463 14.806 1.00 0.00 H ATOM 654 N TYR A1923 55.110 24.016 13.308 1.00 27.04 N ATOM 655 CA TYR A1923 54.007 23.956 12.297 1.00 25.37 C ATOM 656 C TYR A1923 52.904 22.989 12.750 1.00 23.35 C ATOM 657 O TYR A1923 53.121 21.765 12.817 1.00 27.24 O ATOM 658 CB TYR A1923 54.500 23.544 10.917 1.00 23.75 C ATOM 659 CG TYR A1923 55.461 24.578 10.317 1.00 20.22 C ATOM 660 CD1 TYR A1923 55.011 25.862 9.993 1.00 27.14 C ATOM 661 CD2 TYR A1923 56.786 24.263 10.056 1.00 20.92 C ATOM 662 CE1 TYR A1923 55.879 26.820 9.474 1.00 26.93 C ATOM 663 CE2 TYR A1923 57.652 25.203 9.527 1.00 21.50 C ATOM 664 CZ TYR A1923 57.194 26.493 9.252 1.00 22.28 C ATOM 665 OH TYR A1923 58.053 27.451 8.734 1.00 22.93 O ATOM 666 HH TYR A1923 57.559 28.299 8.604 1.00 0.00 H ATOM 667 H TYR A1923 55.788 23.230 13.372 1.00 0.00 H ATOM 668 N PRO A1924 51.705 23.532 13.056 1.00 25.68 N ATOM 669 CA PRO A1924 50.585 22.731 13.464 1.00 33.16 C ATOM 670 C PRO A1924 50.133 21.762 12.397 1.00 29.43 C ATOM 671 O PRO A1924 49.679 20.652 12.744 1.00 29.79 O ATOM 672 CB PRO A1924 49.464 23.738 13.747 1.00 33.96 C ATOM 673 CG PRO A1924 50.082 25.070 13.766 1.00 39.56 C ATOM 674 CD PRO A1924 51.459 24.980 13.189 1.00 33.03 C ATOM 675 N ASN A1925 50.274 22.168 11.130 1.00 28.70 N ATOM 676 CA ASN A1925 49.827 21.359 10.022 1.00 29.34 C ATOM 677 C ASN A1925 50.553 21.710 8.732 1.00 29.35 C ATOM 678 O ASN A1925 51.338 22.662 8.669 1.00 25.41 O ATOM 679 CB ASN A1925 48.316 21.502 9.871 1.00 30.04 C ATOM 680 CG ASN A1925 47.907 22.915 9.583 1.00 31.76 C ATOM 681 OD1 ASN A1925 48.443 23.548 8.665 1.00 29.54 O ATOM 682 ND2 ASN A1925 47.007 23.446 10.402 1.00 34.36 N ATOM 683 HD22 ASN A1925 46.587 22.868 11.158 1.00 0.00 H ATOM 684 HD21 ASN A1925 46.722 24.440 10.287 1.00 0.00 H ATOM 685 H ASN A1925 50.717 23.089 10.939 1.00 0.00 H ATOM 686 N LEU A1926 50.293 20.912 7.698 1.00 29.96 N ATOM 687 CA LEU A1926 51.048 21.143 6.469 1.00 22.16 C ATOM 688 C LEU A1926 50.709 22.499 5.803 1.00 22.75 C ATOM 689 O LEU A1926 51.597 23.047 5.141 1.00 24.05 O ATOM 690 CB LEU A1926 50.937 19.945 5.501 1.00 21.14 C ATOM 691 CG LEU A1926 49.658 19.938 4.667 1.00 20.54 C ATOM 692 CD1 LEU A1926 49.782 18.916 3.542 1.00 24.51 C ATOM 693 CD2 LEU A1926 48.468 19.641 5.562 1.00 20.43 C ATOM 694 H LEU A1926 49.582 20.156 7.763 1.00 0.00 H ATOM 695 N GLU A1927 49.527 23.059 6.004 1.00 27.99 N ATOM 696 CA GLU A1927 49.189 24.326 5.383 1.00 30.28 C ATOM 697 C GLU A1927 49.986 25.470 5.973 1.00 27.14 C ATOM 698 O GLU A1927 50.360 26.377 5.235 1.00 24.83 O ATOM 699 CB GLU A1927 47.702 24.593 5.474 1.00 30.53 C ATOM 700 CG GLU A1927 46.865 23.526 4.772 1.00 39.76 C ATOM 701 CD GLU A1927 47.176 23.377 3.275 1.00 46.81 C ATOM 702 OE1 GLU A1927 47.746 24.314 2.657 1.00 44.51 O ATOM 703 OE2 GLU A1927 46.829 22.319 2.714 1.00 46.66 O ATOM 704 H GLU A1927 48.831 22.585 6.615 1.00 0.00 H ATOM 705 N THR A1928 50.285 25.393 7.270 1.00 25.81 N ATOM 706 CA THR A1928 51.053 26.452 7.917 1.00 26.13 C ATOM 707 C THR A1928 52.470 26.421 7.377 1.00 24.57 C ATOM 708 O THR A1928 53.123 27.453 7.266 1.00 24.17 O ATOM 709 CB THR A1928 51.038 26.358 9.439 1.00 28.49 C ATOM 710 OG1 THR A1928 51.546 25.081 9.897 1.00 25.67 O ATOM 711 CG2 THR A1928 49.584 26.552 9.966 1.00 28.98 C ATOM 712 HG1 THR A1928 50.983 24.353 9.532 1.00 0.00 H ATOM 713 H THR A1928 49.969 24.572 7.825 1.00 0.00 H ATOM 714 N PHE A1929 52.942 25.229 7.047 1.00 22.26 N ATOM 715 CA PHE A1929 54.245 25.085 6.442 1.00 20.66 C ATOM 716 C PHE A1929 54.262 25.731 5.033 1.00 20.23 C ATOM 717 O PHE A1929 55.162 26.573 4.695 1.00 20.98 O ATOM 718 CB PHE A1929 54.646 23.597 6.414 1.00 23.32 C ATOM 719 CG PHE A1929 55.829 23.315 5.503 1.00 21.87 C ATOM 720 CD1 PHE A1929 57.147 23.448 5.966 1.00 24.80 C ATOM 721 CD2 PHE A1929 55.614 22.874 4.203 1.00 20.78 C ATOM 722 CE1 PHE A1929 58.225 23.180 5.142 1.00 26.71 C ATOM 723 CE2 PHE A1929 56.695 22.587 3.376 1.00 21.74 C ATOM 724 CZ PHE A1929 57.994 22.751 3.845 1.00 22.04 C ATOM 725 H PHE A1929 52.365 24.383 7.226 1.00 0.00 H ATOM 726 N ALA A1930 53.273 25.377 4.216 1.00 22.09 N ATOM 727 CA ALA A1930 53.222 25.926 2.860 1.00 21.69 C ATOM 728 C ALA A1930 53.119 27.472 2.887 1.00 21.39 C ATOM 729 O ALA A1930 53.659 28.142 2.018 1.00 22.24 O ATOM 730 CB ALA A1930 52.060 25.342 2.080 1.00 23.53 C ATOM 731 H ALA A1930 52.540 24.714 4.539 1.00 0.00 H ATOM 732 N LEU A1931 52.353 28.010 3.829 1.00 23.03 N ATOM 733 CA LEU A1931 52.226 29.464 4.019 1.00 21.96 C ATOM 734 C LEU A1931 53.588 30.138 4.225 1.00 23.17 C ATOM 735 O LEU A1931 53.875 31.140 3.579 1.00 23.52 O ATOM 736 CB LEU A1931 51.264 29.827 5.182 1.00 27.00 C ATOM 737 CG LEU A1931 49.768 29.685 4.897 1.00 35.23 C ATOM 738 CD1 LEU A1931 48.960 29.902 6.178 1.00 38.05 C ATOM 739 CD2 LEU A1931 49.366 30.674 3.803 1.00 37.45 C ATOM 740 H LEU A1931 51.820 27.377 4.459 1.00 0.00 H ATOM 741 N ASP A1932 54.445 29.566 5.064 1.00 21.86 N ATOM 742 CA ASP A1932 55.798 30.091 5.270 1.00 19.94 C ATOM 743 C ASP A1932 56.690 29.965 4.030 1.00 20.67 C ATOM 744 O ASP A1932 57.426 30.900 3.694 1.00 20.77 O ATOM 745 CB ASP A1932 56.484 29.441 6.466 1.00 23.58 C ATOM 746 CG ASP A1932 56.336 30.250 7.760 1.00 25.39 C ATOM 747 OD1 ASP A1932 55.746 31.379 7.755 1.00 24.60 O ATOM 748 OD2 ASP A1932 56.877 29.780 8.776 1.00 23.96 O ATOM 749 H ASP A1932 54.147 28.720 5.591 1.00 0.00 H ATOM 750 N VAL A1933 56.583 28.856 3.304 1.00 19.57 N ATOM 751 CA VAL A1933 57.350 28.723 2.041 1.00 18.41 C ATOM 752 C VAL A1933 56.916 29.841 1.078 1.00 19.59 C ATOM 753 O VAL A1933 57.761 30.533 0.503 1.00 21.77 O ATOM 754 CB VAL A1933 57.218 27.321 1.401 1.00 19.26 C ATOM 755 CG1 VAL A1933 57.884 27.237 0.032 1.00 20.97 C ATOM 756 CG2 VAL A1933 57.806 26.232 2.323 1.00 22.51 C ATOM 757 H VAL A1933 55.963 28.084 3.621 1.00 0.00 H ATOM 758 N ARG A1934 55.604 29.982 0.884 1.00 19.38 N ATOM 759 CA ARG A1934 55.055 30.965 -0.059 1.00 21.77 C ATOM 760 C ARG A1934 55.439 32.388 0.372 1.00 20.92 C ATOM 761 O ARG A1934 55.661 33.234 -0.472 1.00 21.09 O ATOM 762 CB ARG A1934 53.535 30.826 -0.206 1.00 23.01 C ATOM 763 CG ARG A1934 53.170 29.531 -0.924 1.00 23.33 C ATOM 764 CD ARG A1934 51.716 29.214 -0.849 1.00 23.50 C ATOM 765 NE ARG A1934 51.504 27.951 -1.543 1.00 25.85 N ATOM 766 CZ ARG A1934 50.615 27.017 -1.216 1.00 31.46 C ATOM 767 NH1 ARG A1934 49.781 27.189 -0.202 1.00 29.17 N ATOM 768 NH2 ARG A1934 50.542 25.907 -1.940 1.00 33.14 N ATOM 769 HE ARG A1934 52.104 27.762 -2.371 1.00 0.00 H ATOM 770 HH12 ARG A1934 49.093 26.446 0.037 1.00 0.00 H ATOM 771 HH11 ARG A1934 49.814 28.067 0.355 1.00 0.00 H ATOM 772 HH22 ARG A1934 49.851 25.170 -1.694 1.00 0.00 H ATOM 773 HH21 ARG A1934 51.176 25.774 -2.754 1.00 0.00 H ATOM 774 H ARG A1934 54.948 29.376 1.418 1.00 0.00 H ATOM 775 N LEU A1935 55.507 32.625 1.671 1.00 22.05 N ATOM 776 CA LEU A1935 55.909 33.929 2.231 1.00 24.57 C ATOM 777 C LEU A1935 57.335 34.296 1.774 1.00 19.81 C ATOM 778 O LEU A1935 57.614 35.447 1.472 1.00 20.56 O ATOM 779 CB LEU A1935 55.804 33.864 3.760 1.00 21.66 C ATOM 780 CG LEU A1935 56.273 35.095 4.574 1.00 22.86 C ATOM 781 CD1 LEU A1935 55.535 36.357 4.085 1.00 26.04 C ATOM 782 CD2 LEU A1935 56.105 34.854 6.091 1.00 20.23 C ATOM 783 H LEU A1935 55.266 31.856 2.329 1.00 0.00 H ATOM 784 N VAL A1936 58.240 33.310 1.739 1.00 19.02 N ATOM 785 CA VAL A1936 59.574 33.534 1.173 1.00 18.45 C ATOM 786 C VAL A1936 59.478 34.165 -0.222 1.00 18.29 C ATOM 787 O VAL A1936 60.135 35.179 -0.519 1.00 21.99 O ATOM 788 CB VAL A1936 60.431 32.255 1.163 1.00 19.22 C ATOM 789 CG1 VAL A1936 61.811 32.569 0.516 1.00 18.07 C ATOM 790 CG2 VAL A1936 60.631 31.704 2.607 1.00 18.12 C ATOM 791 H VAL A1936 57.994 32.373 2.118 1.00 0.00 H ATOM 792 N PHE A1937 58.684 33.543 -1.096 1.00 18.94 N ATOM 793 CA PHE A1937 58.579 33.952 -2.460 1.00 19.59 C ATOM 794 C PHE A1937 57.779 35.237 -2.644 1.00 21.27 C ATOM 795 O PHE A1937 58.121 36.065 -3.497 1.00 24.29 O ATOM 796 CB PHE A1937 58.049 32.787 -3.327 1.00 21.71 C ATOM 797 CG PHE A1937 58.856 31.525 -3.141 1.00 22.14 C ATOM 798 CD1 PHE A1937 60.258 31.593 -3.083 1.00 23.23 C ATOM 799 CD2 PHE A1937 58.244 30.305 -2.978 1.00 21.26 C ATOM 800 CE1 PHE A1937 61.029 30.453 -2.849 1.00 27.01 C ATOM 801 CE2 PHE A1937 59.014 29.155 -2.797 1.00 25.62 C ATOM 802 CZ PHE A1937 60.394 29.245 -2.666 1.00 21.19 C ATOM 803 H PHE A1937 58.121 32.731 -0.772 1.00 0.00 H ATOM 804 N ASP A1938 56.763 35.434 -1.802 1.00 20.00 N ATOM 805 CA ASP A1938 55.985 36.649 -1.842 1.00 22.33 C ATOM 806 C ASP A1938 56.841 37.843 -1.405 1.00 24.96 C ATOM 807 O ASP A1938 56.821 38.885 -2.058 1.00 24.62 O ATOM 808 CB ASP A1938 54.713 36.535 -0.976 1.00 23.03 C ATOM 809 CG ASP A1938 53.666 35.557 -1.550 1.00 24.60 C ATOM 810 OD1 ASP A1938 53.703 35.206 -2.747 1.00 27.18 O ATOM 811 OD2 ASP A1938 52.749 35.196 -0.785 1.00 29.03 O ATOM 812 H ASP A1938 56.528 34.699 -1.105 1.00 0.00 H ATOM 813 N ASN A1939 57.621 37.677 -0.336 1.00 24.45 N ATOM 814 CA ASN A1939 58.557 38.720 0.097 1.00 23.87 C ATOM 815 C ASN A1939 59.585 39.036 -0.968 1.00 24.68 C ATOM 816 O ASN A1939 59.870 40.205 -1.210 1.00 24.95 O ATOM 817 CB ASN A1939 59.294 38.290 1.355 1.00 21.17 C ATOM 818 CG ASN A1939 58.432 38.301 2.581 1.00 20.97 C ATOM 819 OD1 ASN A1939 57.369 38.942 2.630 1.00 24.42 O ATOM 820 ND2 ASN A1939 58.937 37.643 3.646 1.00 21.18 N ATOM 821 HD22 ASN A1939 59.831 37.119 3.558 1.00 0.00 H ATOM 822 HD21 ASN A1939 58.432 37.660 4.555 1.00 0.00 H ATOM 823 H ASN A1939 57.564 36.789 0.202 1.00 0.00 H ATOM 824 N CYS A1940 60.097 38.000 -1.627 1.00 21.56 N ATOM 825 CA CYS A1940 61.019 38.168 -2.737 1.00 23.36 C ATOM 826 C CYS A1940 60.458 39.016 -3.863 1.00 24.07 C ATOM 827 O CYS A1940 61.120 39.944 -4.361 1.00 25.67 O ATOM 828 CB CYS A1940 61.479 36.781 -3.241 1.00 23.18 C ATOM 829 SG CYS A1940 62.716 36.888 -4.533 1.00 25.44 S ATOM 830 H CYS A1940 59.828 37.038 -1.338 1.00 0.00 H ATOM 831 N GLU A1941 59.227 38.730 -4.246 1.00 24.30 N ATOM 832 CA GLU A1941 58.561 39.535 -5.276 1.00 24.47 C ATOM 833 C GLU A1941 58.305 40.969 -4.846 1.00 26.46 C ATOM 834 O GLU A1941 58.418 41.859 -5.654 1.00 31.31 O ATOM 835 CB GLU A1941 57.247 38.911 -5.651 1.00 34.24 C ATOM 836 CG GLU A1941 57.380 37.797 -6.624 1.00 45.97 C ATOM 837 CD GLU A1941 56.067 37.520 -7.333 1.00 48.23 C ATOM 838 OE1 GLU A1941 55.456 38.460 -7.894 1.00 48.73 O ATOM 839 OE2 GLU A1941 55.681 36.344 -7.326 1.00 37.91 O ATOM 840 H GLU A1941 58.726 37.928 -3.814 1.00 0.00 H ATOM 841 N THR A1942 57.944 41.173 -3.588 1.00 26.54 N ATOM 842 CA THR A1942 57.719 42.533 -3.086 1.00 30.54 C ATOM 843 C THR A1942 59.005 43.390 -3.205 1.00 30.73 C ATOM 844 O THR A1942 58.939 44.579 -3.514 1.00 29.79 O ATOM 845 CB THR A1942 57.251 42.503 -1.609 1.00 32.59 C ATOM 846 OG1 THR A1942 55.951 41.896 -1.538 1.00 32.78 O ATOM 847 CG2 THR A1942 57.178 43.931 -1.002 1.00 36.50 C ATOM 848 HG1 THR A1942 56.000 40.972 -1.891 1.00 0.00 H ATOM 849 H THR A1942 57.819 40.361 -2.950 1.00 0.00 H ATOM 850 N PHE A1943 60.164 42.759 -2.972 1.00 26.70 N ATOM 851 CA PHE A1943 61.403 43.502 -2.776 1.00 25.39 C ATOM 852 C PHE A1943 62.300 43.559 -4.013 1.00 23.51 C ATOM 853 O PHE A1943 63.117 44.492 -4.147 1.00 28.49 O ATOM 854 CB PHE A1943 62.181 42.917 -1.586 1.00 21.89 C ATOM 855 CG PHE A1943 63.170 43.905 -0.979 1.00 22.43 C ATOM 856 CD1 PHE A1943 62.729 44.910 -0.123 1.00 27.96 C ATOM 857 CD2 PHE A1943 64.519 43.819 -1.269 1.00 27.40 C ATOM 858 CE1 PHE A1943 63.637 45.799 0.437 1.00 28.11 C ATOM 859 CE2 PHE A1943 65.437 44.689 -0.697 1.00 29.35 C ATOM 860 CZ PHE A1943 64.985 45.679 0.150 1.00 29.29 C ATOM 861 H PHE A1943 60.180 41.720 -2.930 1.00 0.00 H ATOM 862 N ASN A1944 62.088 42.622 -4.952 1.00 25.40 N ATOM 863 CA ASN A1944 62.974 42.420 -6.101 1.00 27.87 C ATOM 864 C ASN A1944 62.227 42.521 -7.438 1.00 28.42 C ATOM 865 O ASN A1944 61.094 42.051 -7.559 1.00 29.25 O ATOM 866 CB ASN A1944 63.646 41.056 -6.013 1.00 26.00 C ATOM 867 CG ASN A1944 64.537 40.922 -4.815 1.00 26.90 C ATOM 868 OD1 ASN A1944 65.652 41.419 -4.814 1.00 29.94 O ATOM 869 ND2 ASN A1944 64.005 40.312 -3.728 1.00 21.86 N ATOM 870 HD22 ASN A1944 63.050 39.903 -3.777 1.00 0.00 H ATOM 871 HD21 ASN A1944 64.552 40.253 -2.845 1.00 0.00 H ATOM 872 H ASN A1944 61.253 42.009 -4.859 1.00 0.00 H ATOM 873 N GLU A1945 62.867 43.154 -8.412 1.00 29.55 N ATOM 874 CA GLU A1945 62.345 43.214 -9.767 1.00 31.70 C ATOM 875 C GLU A1945 62.338 41.776 -10.347 1.00 33.16 C ATOM 876 O GLU A1945 63.258 40.998 -10.065 1.00 33.22 O ATOM 877 CB GLU A1945 63.201 44.137 -10.603 1.00 36.35 C ATOM 878 CG GLU A1945 62.933 45.631 -10.336 1.00 37.23 C ATOM 879 CD GLU A1945 61.601 46.126 -10.901 1.00 60.00 C ATOM 880 OE1 GLU A1945 61.224 47.271 -10.592 1.00 68.47 O ATOM 881 OE2 GLU A1945 60.919 45.383 -11.650 1.00 65.98 O ATOM 882 H GLU A1945 63.771 43.622 -8.199 1.00 0.00 H ATOM 883 N ASP A1946 61.281 41.449 -11.095 1.00 38.20 N ATOM 884 CA ASP A1946 61.155 40.143 -11.759 1.00 41.03 C ATOM 885 C ASP A1946 62.418 39.895 -12.581 1.00 37.10 C ATOM 886 O ASP A1946 62.918 38.785 -12.636 1.00 43.49 O ATOM 887 CB ASP A1946 59.911 40.099 -12.667 1.00 37.59 C ATOM 888 CG ASP A1946 58.593 40.135 -11.889 1.00 42.37 C ATOM 889 OD1 ASP A1946 58.556 39.777 -10.679 1.00 38.74 O ATOM 890 OD2 ASP A1946 57.579 40.528 -12.495 1.00 45.77 O ATOM 891 H ASP A1946 60.517 42.145 -11.212 1.00 0.00 H ATOM 892 N ASP A1947 62.963 40.966 -13.154 1.00 43.42 N ATOM 893 CA ASP A1947 64.105 40.874 -14.057 1.00 52.81 C ATOM 894 C ASP A1947 65.456 40.673 -13.369 1.00 40.26 C ATOM 895 O ASP A1947 66.462 40.475 -14.033 1.00 47.96 O ATOM 896 CB ASP A1947 64.164 42.127 -14.932 1.00 70.20 C ATOM 897 CG ASP A1947 65.325 42.104 -15.906 1.00108.90 C ATOM 898 OD1 ASP A1947 65.986 41.046 -16.021 1.00141.24 O ATOM 899 OD2 ASP A1947 65.578 43.142 -16.556 1.00140.89 O ATOM 900 H ASP A1947 62.560 41.903 -12.950 1.00 0.00 H ATOM 901 N SER A1948 65.499 40.725 -12.045 1.00 37.83 N ATOM 902 CA SER A1948 66.778 40.599 -11.352 1.00 37.51 C ATOM 903 C SER A1948 67.127 39.131 -11.204 1.00 37.32 C ATOM 904 O SER A1948 66.245 38.266 -11.356 1.00 32.67 O ATOM 905 CB SER A1948 66.678 41.248 -9.982 1.00 35.24 C ATOM 906 OG SER A1948 65.478 40.847 -9.358 1.00 31.07 O ATOM 907 HG SER A1948 64.708 41.128 -9.914 1.00 0.00 H ATOM 908 H SER A1948 64.623 40.855 -11.500 1.00 0.00 H ATOM 909 N ASP A1949 68.390 38.836 -10.884 1.00 34.40 N ATOM 910 CA ASP A1949 68.783 37.446 -10.573 1.00 33.71 C ATOM 911 C ASP A1949 67.960 36.909 -9.392 1.00 28.88 C ATOM 912 O ASP A1949 67.420 35.805 -9.457 1.00 28.46 O ATOM 913 CB ASP A1949 70.279 37.329 -10.229 1.00 34.91 C ATOM 914 CG ASP A1949 71.205 37.529 -11.432 1.00 42.80 C ATOM 915 OD1 ASP A1949 71.306 36.622 -12.315 1.00 29.83 O ATOM 916 OD2 ASP A1949 71.877 38.595 -11.450 1.00 38.45 O ATOM 917 H ASP A1949 69.104 39.592 -10.853 1.00 0.00 H ATOM 918 N ILE A1950 67.869 37.681 -8.311 1.00 31.32 N ATOM 919 CA ILE A1950 67.087 37.236 -7.124 1.00 27.33 C ATOM 920 C ILE A1950 65.593 37.099 -7.474 1.00 25.41 C ATOM 921 O ILE A1950 64.932 36.134 -7.048 1.00 24.52 O ATOM 922 CB ILE A1950 67.294 38.179 -5.913 1.00 27.57 C ATOM 923 CG1 ILE A1950 68.750 38.071 -5.430 1.00 31.98 C ATOM 924 CG2 ILE A1950 66.275 37.890 -4.804 1.00 23.41 C ATOM 925 CD1 ILE A1950 69.148 39.063 -4.341 1.00 30.45 C ATOM 926 H ILE A1950 68.349 38.604 -8.295 1.00 0.00 H ATOM 927 N GLY A1951 65.066 38.024 -8.270 1.00 26.13 N ATOM 928 CA GLY A1951 63.657 37.968 -8.711 1.00 28.91 C ATOM 929 C GLY A1951 63.353 36.696 -9.498 1.00 26.07 C ATOM 930 O GLY A1951 62.389 35.976 -9.200 1.00 27.51 O ATOM 931 H GLY A1951 65.664 38.811 -8.592 1.00 0.00 H ATOM 932 N ARG A1952 64.225 36.412 -10.449 1.00 30.56 N ATOM 933 CA ARG A1952 64.147 35.208 -11.270 1.00 30.83 C ATOM 934 C ARG A1952 64.311 33.962 -10.431 1.00 27.81 C ATOM 935 O ARG A1952 63.592 32.972 -10.621 1.00 27.86 O ATOM 936 CB ARG A1952 65.240 35.218 -12.352 1.00 38.05 C ATOM 937 CG ARG A1952 64.827 35.887 -13.637 1.00 54.74 C ATOM 938 CD ARG A1952 65.827 35.588 -14.753 1.00 51.15 C ATOM 939 NE ARG A1952 67.060 36.315 -14.524 1.00 42.37 N ATOM 940 CZ ARG A1952 67.230 37.609 -14.776 1.00 49.20 C ATOM 941 NH1 ARG A1952 68.404 38.178 -14.521 1.00 53.81 N ATOM 942 NH2 ARG A1952 66.230 38.335 -15.271 1.00 63.95 N ATOM 943 HE ARG A1952 67.868 35.787 -14.136 1.00 0.00 H ATOM 944 HH12 ARG A1952 68.545 39.190 -14.716 1.00 0.00 H ATOM 945 HH11 ARG A1952 69.182 37.611 -14.127 1.00 0.00 H ATOM 946 HH22 ARG A1952 66.369 39.347 -15.466 1.00 0.00 H ATOM 947 HH21 ARG A1952 65.310 37.890 -15.463 1.00 0.00 H ATOM 948 H ARG A1952 65.005 37.079 -10.621 1.00 0.00 H ATOM 949 N ALA A1953 65.229 34.005 -9.464 1.00 22.94 N ATOM 950 CA ALA A1953 65.387 32.891 -8.530 1.00 24.15 C ATOM 951 C ALA A1953 64.117 32.567 -7.788 1.00 24.39 C ATOM 952 O ALA A1953 63.735 31.388 -7.653 1.00 22.48 O ATOM 953 CB ALA A1953 66.521 33.128 -7.534 1.00 22.94 C ATOM 954 H ALA A1953 65.840 34.842 -9.373 1.00 0.00 H ATOM 955 N GLY A1954 63.447 33.604 -7.293 1.00 24.56 N ATOM 956 CA GLY A1954 62.233 33.413 -6.545 1.00 24.13 C ATOM 957 C GLY A1954 61.108 32.837 -7.380 1.00 25.32 C ATOM 958 O GLY A1954 60.391 31.953 -6.917 1.00 24.72 O ATOM 959 H GLY A1954 63.806 34.567 -7.449 1.00 0.00 H ATOM 960 N HIS A1955 60.949 33.339 -8.594 1.00 25.18 N ATOM 961 CA HIS A1955 59.962 32.756 -9.488 1.00 25.59 C ATOM 962 C HIS A1955 60.221 31.281 -9.736 1.00 26.15 C ATOM 963 O HIS A1955 59.303 30.472 -9.680 1.00 27.54 O ATOM 964 CB HIS A1955 59.882 33.554 -10.770 1.00 30.32 C ATOM 965 CG HIS A1955 59.116 34.848 -10.603 1.00 35.49 C ATOM 966 ND1 HIS A1955 57.784 34.873 -10.345 1.00 40.25 N ATOM 967 CD2 HIS A1955 59.534 36.184 -10.639 1.00 35.31 C ATOM 968 CE1 HIS A1955 57.366 36.160 -10.239 1.00 44.23 C ATOM 969 NE2 HIS A1955 58.433 36.963 -10.420 1.00 38.87 N ATOM 970 H HIS A1955 61.526 34.145 -8.907 1.00 0.00 H ATOM 971 N ASN A1956 61.467 30.929 -10.044 1.00 26.29 N ATOM 972 CA ASN A1956 61.841 29.541 -10.298 1.00 27.74 C ATOM 973 C ASN A1956 61.563 28.642 -9.095 1.00 27.73 C ATOM 974 O ASN A1956 61.051 27.518 -9.239 1.00 26.10 O ATOM 975 CB ASN A1956 63.315 29.454 -10.630 1.00 25.33 C ATOM 976 CG ASN A1956 63.652 30.035 -11.999 1.00 28.69 C ATOM 977 OD1 ASN A1956 62.753 30.406 -12.809 1.00 32.75 O ATOM 978 ND2 ASN A1956 64.947 30.084 -12.304 1.00 30.05 N ATOM 979 HD22 ASN A1956 65.657 29.770 -11.611 1.00 0.00 H ATOM 980 HD21 ASN A1956 65.249 30.436 -13.235 1.00 0.00 H ATOM 981 H ASN A1956 62.198 31.666 -10.106 1.00 0.00 H ATOM 982 N MET A1957 61.991 29.107 -7.923 1.00 23.76 N ATOM 983 CA MET A1957 61.791 28.341 -6.689 1.00 24.06 C ATOM 984 C MET A1957 60.322 28.161 -6.336 1.00 20.79 C ATOM 985 O MET A1957 59.920 27.109 -5.821 1.00 22.99 O ATOM 986 CB MET A1957 62.563 28.947 -5.521 1.00 24.50 C ATOM 987 CG MET A1957 64.080 28.953 -5.640 1.00 25.50 C ATOM 988 SD MET A1957 64.775 27.312 -5.886 1.00 32.31 S ATOM 989 CE MET A1957 64.043 26.349 -4.500 1.00 26.72 C ATOM 990 H MET A1957 62.474 30.027 -7.882 1.00 0.00 H ATOM 991 N ARG A1958 59.506 29.170 -6.602 1.00 23.35 N ATOM 992 CA ARG A1958 58.077 29.068 -6.377 1.00 25.75 C ATOM 993 C ARG A1958 57.483 27.977 -7.283 1.00 25.57 C ATOM 994 O ARG A1958 56.775 27.121 -6.806 1.00 24.65 O ATOM 995 CB ARG A1958 57.360 30.391 -6.671 1.00 28.61 C ATOM 996 CG ARG A1958 55.905 30.334 -6.275 1.00 28.70 C ATOM 997 CD ARG A1958 55.114 31.492 -6.814 1.00 29.98 C ATOM 998 NE ARG A1958 55.549 32.788 -6.288 1.00 29.38 N ATOM 999 CZ ARG A1958 55.104 33.342 -5.166 1.00 28.48 C ATOM 1000 NH1 ARG A1958 54.278 32.680 -4.352 1.00 27.79 N ATOM 1001 NH2 ARG A1958 55.516 34.566 -4.847 1.00 30.34 N ATOM 1002 HE ARG A1958 56.260 33.314 -6.835 1.00 0.00 H ATOM 1003 HH12 ARG A1958 53.939 33.129 -3.477 1.00 0.00 H ATOM 1004 HH11 ARG A1958 53.973 31.715 -4.593 1.00 0.00 H ATOM 1005 HH22 ARG A1958 55.179 35.017 -3.973 1.00 0.00 H ATOM 1006 HH21 ARG A1958 56.175 35.072 -5.472 1.00 0.00 H ATOM 1007 H ARG A1958 59.899 30.055 -6.981 1.00 0.00 H ATOM 1008 N LYS A1959 57.833 27.993 -8.569 1.00 24.19 N ATOM 1009 CA LYS A1959 57.320 27.001 -9.520 1.00 28.46 C ATOM 1010 C LYS A1959 57.749 25.603 -9.089 1.00 27.57 C ATOM 1011 O LYS A1959 56.967 24.646 -9.076 1.00 27.09 O ATOM 1012 CB LYS A1959 57.850 27.269 -10.922 1.00 26.90 C ATOM 1013 CG LYS A1959 57.302 26.306 -11.963 1.00 39.69 C ATOM 1014 CD LYS A1959 56.024 26.833 -12.610 1.00 61.14 C ATOM 1015 CE LYS A1959 55.335 25.763 -13.446 1.00 74.87 C ATOM 1016 NZ LYS A1959 54.401 26.345 -14.451 1.00 94.35 N ATOM 1017 HZ1 LYS A1959 53.666 26.895 -13.962 1.00 0.00 H ATOM 1018 HZ2 LYS A1959 54.930 26.967 -15.095 1.00 0.00 H ATOM 1019 HZ3 LYS A1959 53.957 25.578 -14.995 1.00 0.00 H ATOM 1020 H LYS A1959 58.487 28.728 -8.907 1.00 0.00 H ATOM 1021 N TYR A1960 59.017 25.506 -8.689 1.00 26.54 N ATOM 1022 CA TYR A1960 59.566 24.258 -8.239 1.00 27.76 C ATOM 1023 C TYR A1960 58.803 23.701 -7.010 1.00 27.05 C ATOM 1024 O TYR A1960 58.456 22.479 -6.964 1.00 26.53 O ATOM 1025 CB TYR A1960 61.013 24.478 -7.897 1.00 26.88 C ATOM 1026 CG TYR A1960 61.798 23.250 -7.606 1.00 22.70 C ATOM 1027 CD1 TYR A1960 62.174 22.379 -8.613 1.00 28.52 C ATOM 1028 CD2 TYR A1960 62.262 22.995 -6.317 1.00 25.43 C ATOM 1029 CE1 TYR A1960 62.958 21.262 -8.356 1.00 29.69 C ATOM 1030 CE2 TYR A1960 63.050 21.888 -6.053 1.00 29.67 C ATOM 1031 CZ TYR A1960 63.408 21.037 -7.058 1.00 31.26 C ATOM 1032 OH TYR A1960 64.185 19.931 -6.786 1.00 39.80 O ATOM 1033 HH TYR A1960 64.348 19.429 -7.624 1.00 0.00 H ATOM 1034 H TYR A1960 59.621 26.352 -8.703 1.00 0.00 H ATOM 1035 N PHE A1961 58.570 24.576 -6.039 1.00 24.38 N ATOM 1036 CA PHE A1961 57.840 24.204 -4.818 1.00 23.80 C ATOM 1037 C PHE A1961 56.430 23.749 -5.145 1.00 25.97 C ATOM 1038 O PHE A1961 55.954 22.707 -4.636 1.00 27.04 O ATOM 1039 CB PHE A1961 57.764 25.362 -3.821 1.00 23.14 C ATOM 1040 CG PHE A1961 56.815 25.092 -2.665 1.00 21.32 C ATOM 1041 CD1 PHE A1961 57.114 24.114 -1.720 1.00 22.63 C ATOM 1042 CD2 PHE A1961 55.632 25.814 -2.539 1.00 23.43 C ATOM 1043 CE1 PHE A1961 56.223 23.840 -0.681 1.00 23.28 C ATOM 1044 CE2 PHE A1961 54.760 25.568 -1.483 1.00 25.98 C ATOM 1045 CZ PHE A1961 55.045 24.571 -0.573 1.00 25.70 C ATOM 1046 H PHE A1961 58.913 25.552 -6.145 1.00 0.00 H ATOM 1047 N GLU A1962 55.724 24.534 -5.939 1.00 25.38 N ATOM 1048 CA GLU A1962 54.310 24.279 -6.112 1.00 25.72 C ATOM 1049 C GLU A1962 54.029 22.939 -6.810 1.00 29.48 C ATOM 1050 O GLU A1962 53.007 22.299 -6.527 1.00 28.69 O ATOM 1051 CB GLU A1962 53.626 25.447 -6.799 1.00 26.68 C ATOM 1052 CG GLU A1962 53.570 26.725 -5.984 1.00 26.83 C ATOM 1053 CD GLU A1962 52.806 26.665 -4.671 1.00 27.63 C ATOM 1054 OE1 GLU A1962 52.075 25.674 -4.376 1.00 27.38 O ATOM 1055 OE2 GLU A1962 52.965 27.622 -3.883 1.00 26.90 O ATOM 1056 H GLU A1962 56.180 25.327 -6.435 1.00 0.00 H ATOM 1057 N LYS A1963 54.892 22.557 -7.764 1.00 29.38 N ATOM 1058 CA LYS A1963 54.785 21.257 -8.417 1.00 30.78 C ATOM 1059 C LYS A1963 55.020 20.146 -7.376 1.00 30.22 C ATOM 1060 O LYS A1963 54.280 19.156 -7.332 1.00 33.58 O ATOM 1061 CB LYS A1963 55.762 21.106 -9.595 1.00 35.81 C ATOM 1062 CG LYS A1963 55.842 19.648 -10.056 1.00 35.66 C ATOM 1063 CD LYS A1963 56.381 19.436 -11.448 1.00 41.15 C ATOM 1064 CE LYS A1963 56.403 17.950 -11.817 1.00 45.09 C ATOM 1065 NZ LYS A1963 55.046 17.316 -11.846 1.00 40.97 N ATOM 1066 HZ1 LYS A1963 54.607 17.396 -10.906 1.00 0.00 H ATOM 1067 HZ2 LYS A1963 54.453 17.801 -12.549 1.00 0.00 H ATOM 1068 HZ3 LYS A1963 55.139 16.312 -12.103 1.00 0.00 H ATOM 1069 H LYS A1963 55.656 23.204 -8.045 1.00 0.00 H ATOM 1070 N LYS A1964 56.041 20.299 -6.530 1.00 29.59 N ATOM 1071 CA LYS A1964 56.252 19.285 -5.491 1.00 33.22 C ATOM 1072 C LYS A1964 55.073 19.195 -4.544 1.00 31.94 C ATOM 1073 O LYS A1964 54.648 18.101 -4.150 1.00 31.61 O ATOM 1074 CB LYS A1964 57.544 19.517 -4.729 1.00 35.58 C ATOM 1075 CG LYS A1964 58.739 19.363 -5.644 1.00 45.98 C ATOM 1076 CD LYS A1964 60.047 19.467 -4.905 1.00 49.30 C ATOM 1077 CE LYS A1964 61.191 19.057 -5.828 1.00 51.42 C ATOM 1078 NZ LYS A1964 60.935 17.822 -6.591 1.00 46.37 N ATOM 1079 HZ1 LYS A1964 60.776 17.034 -5.931 1.00 0.00 H ATOM 1080 HZ2 LYS A1964 60.092 17.952 -7.186 1.00 0.00 H ATOM 1081 HZ3 LYS A1964 61.757 17.611 -7.193 1.00 0.00 H ATOM 1082 H LYS A1964 56.674 21.121 -6.606 1.00 0.00 H ATOM 1083 N TRP A1965 54.529 20.350 -4.201 1.00 27.13 N ATOM 1084 CA TRP A1965 53.365 20.425 -3.326 1.00 26.68 C ATOM 1085 C TRP A1965 52.176 19.694 -3.873 1.00 30.00 C ATOM 1086 O TRP A1965 51.607 18.830 -3.191 1.00 35.05 O ATOM 1087 CB TRP A1965 53.018 21.876 -3.036 1.00 28.61 C ATOM 1088 CG TRP A1965 52.064 21.998 -1.902 1.00 28.17 C ATOM 1089 CD1 TRP A1965 50.696 22.266 -1.952 1.00 30.39 C ATOM 1090 CD2 TRP A1965 52.371 21.795 -0.482 1.00 26.59 C ATOM 1091 NE1 TRP A1965 50.163 22.308 -0.682 1.00 32.48 N ATOM 1092 CE2 TRP A1965 51.128 22.013 0.244 1.00 31.17 C ATOM 1093 CE3 TRP A1965 53.527 21.493 0.227 1.00 27.03 C ATOM 1094 CZ2 TRP A1965 51.061 21.903 1.612 1.00 30.33 C ATOM 1095 CZ3 TRP A1965 53.443 21.393 1.617 1.00 27.55 C ATOM 1096 CH2 TRP A1965 52.248 21.595 2.284 1.00 24.70 C ATOM 1097 HE1 TRP A1965 49.172 22.531 -0.459 1.00 0.00 H ATOM 1098 H TRP A1965 54.944 21.231 -4.566 1.00 0.00 H ATOM 1099 N THR A1966 51.803 20.014 -5.114 1.00 32.26 N ATOM 1100 CA THR A1966 50.701 19.357 -5.808 1.00 34.03 C ATOM 1101 C THR A1966 50.948 17.862 -5.987 1.00 34.42 C ATOM 1102 O THR A1966 50.073 17.025 -5.723 1.00 41.82 O ATOM 1103 CB THR A1966 50.473 20.007 -7.188 1.00 31.12 C ATOM 1104 OG1 THR A1966 50.097 21.376 -7.010 1.00 32.35 O ATOM 1105 CG2 THR A1966 49.365 19.262 -7.971 1.00 30.64 C ATOM 1106 HG1 THR A1966 50.819 21.856 -6.532 1.00 0.00 H ATOM 1107 H THR A1966 52.322 20.767 -5.609 1.00 0.00 H ATOM 1108 N ASP A1967 52.141 17.513 -6.445 1.00 34.56 N ATOM 1109 CA ASP A1967 52.465 16.100 -6.654 1.00 36.14 C ATOM 1110 C ASP A1967 52.426 15.255 -5.381 1.00 38.33 C ATOM 1111 O ASP A1967 52.058 14.062 -5.415 1.00 38.52 O ATOM 1112 CB ASP A1967 53.847 15.970 -7.292 1.00 41.68 C ATOM 1113 CG ASP A1967 53.843 16.355 -8.761 1.00 40.29 C ATOM 1114 OD1 ASP A1967 52.755 16.586 -9.331 1.00 40.16 O ATOM 1115 OD2 ASP A1967 54.936 16.431 -9.338 1.00 42.34 O ATOM 1116 H ASP A1967 52.849 18.244 -6.657 1.00 0.00 H ATOM 1117 N THR A1968 52.821 15.862 -4.271 1.00 40.32 N ATOM 1118 CA THR A1968 52.998 15.155 -3.004 1.00 36.66 C ATOM 1119 C THR A1968 51.687 15.029 -2.247 1.00 37.29 C ATOM 1120 O THR A1968 51.407 13.991 -1.648 1.00 39.42 O ATOM 1121 CB THR A1968 54.027 15.887 -2.136 1.00 39.10 C ATOM 1122 OG1 THR A1968 55.286 15.895 -2.803 1.00 36.48 O ATOM 1123 CG2 THR A1968 54.202 15.237 -0.773 1.00 32.04 C ATOM 1124 HG1 THR A1968 55.195 16.360 -3.672 1.00 0.00 H ATOM 1125 H THR A1968 53.013 16.884 -4.303 1.00 0.00 H ATOM 1126 N PHE A1969 50.887 16.085 -2.263 1.00 36.03 N ATOM 1127 CA PHE A1969 49.699 16.145 -1.412 1.00 42.51 C ATOM 1128 C PHE A1969 48.373 16.220 -2.158 1.00 55.40 C ATOM 1129 O PHE A1969 47.342 15.902 -1.580 1.00 52.93 O ATOM 1130 CB PHE A1969 49.809 17.322 -0.463 1.00 39.06 C ATOM 1131 CG PHE A1969 50.968 17.209 0.509 1.00 33.55 C ATOM 1132 CD1 PHE A1969 50.965 16.234 1.482 1.00 35.85 C ATOM 1133 CD2 PHE A1969 52.048 18.086 0.444 1.00 34.47 C ATOM 1134 CE1 PHE A1969 52.013 16.140 2.384 1.00 29.24 C ATOM 1135 CE2 PHE A1969 53.108 17.992 1.351 1.00 31.54 C ATOM 1136 CZ PHE A1969 53.074 17.019 2.315 1.00 30.63 C ATOM 1137 H PHE A1969 51.107 16.884 -2.891 1.00 0.00 H ATOM 1138 N LYS A1970 48.393 16.658 -3.414 1.00 65.30 N ATOM 1139 CA LYS A1970 47.210 16.584 -4.275 1.00102.90 C ATOM 1140 C LYS A1970 47.322 15.304 -5.097 1.00106.39 C ATOM 1141 O LYS A1970 47.371 15.339 -6.331 1.00 95.13 O ATOM 1142 CB LYS A1970 47.101 17.821 -5.178 1.00 78.23 C ATOM 1143 H LYS A1970 49.272 17.064 -3.795 1.00 0.00 H ATOM 1144 N VAL A1971 47.357 14.176 -4.386 1.00 91.24 N ATOM 1145 CA VAL A1971 47.697 12.876 -4.958 1.00115.05 C ATOM 1146 C VAL A1971 48.534 12.083 -3.954 1.00114.25 C ATOM 1147 O VAL A1971 49.769 12.030 -4.063 1.00109.93 O ATOM 1148 CB VAL A1971 48.492 13.006 -6.276 1.00107.84 C ATOM 1149 H VAL A1971 47.131 14.225 -3.372 1.00 0.00 H TER 1150 VAL A1971 HETATM 1151 O HOH 1 63.381 17.481 15.485 1.00 46.35 O HETATM 1152 O HOH 2 48.058 18.637 12.712 1.00 51.71 O HETATM 1153 O HOH 3 61.118 43.458 8.941 1.00 44.33 O HETATM 1154 O HOH 4 25.798 18.448 15.044 1.00 35.11 O HETATM 1155 O HOH 5 59.356 17.869 -8.704 1.00 42.09 O HETATM 1156 O HOH 6 66.946 42.734 -6.700 1.00 35.21 O HETATM 1157 O HOH 7 32.818 20.372 5.552 1.00 40.14 O HETATM 1158 O HOH 8 55.886 47.606 3.731 1.00 55.73 O HETATM 1159 O HOH 9 52.935 23.644 16.144 1.00 36.67 O HETATM 1160 O HOH 10 56.819 30.765 -10.591 1.00 43.40 O HETATM 1161 O HOH 11 71.447 30.638 -9.345 1.00 29.38 O HETATM 1162 O HOH 12 48.431 20.361 15.109 1.00 45.96 O HETATM 1163 O HOH 13 32.752 10.066 8.666 1.00 36.50 O HETATM 1164 O HOH 14 49.279 18.233 8.505 1.00 26.67 O HETATM 1165 O HOH 15 59.126 20.616 -8.811 1.00 29.93 O HETATM 1166 O HOH 16 66.935 21.404 11.926 1.00 42.10 O HETATM 1167 O HOH 17 60.204 39.562 -8.404 1.00 28.79 O HETATM 1168 O HOH 18 63.806 17.534 -8.014 1.00 46.90 O HETATM 1169 O HOH 19 67.857 27.865 14.095 1.00 48.94 O HETATM 1170 O HOH 20 58.680 46.335 9.345 1.00 45.06 O HETATM 1171 O HOH 21 56.671 45.951 -4.178 1.00 30.73 O HETATM 1172 O HOH 22 72.341 36.651 -14.864 1.00 47.63 O HETATM 1173 O HOH 23 60.338 17.728 13.304 1.00 34.31 O HETATM 1174 O HOH 24 65.212 44.499 -7.883 1.00 34.98 O HETATM 1175 O HOH 25 56.194 54.959 8.929 1.00 42.02 O HETATM 1176 O HOH 26 67.631 23.910 12.153 1.00 29.35 O HETATM 1177 O HOH 27 52.932 18.709 -13.151 1.00 53.94 O HETATM 1178 O HOH 28 49.281 16.847 10.974 1.00 37.84 O HETATM 1179 O HOH 29 67.414 42.677 -2.939 1.00 34.01 O HETATM 1180 O HOH 30 73.464 22.683 -11.285 1.00 63.46 O HETATM 1181 O HOH 31 58.898 52.602 10.969 1.00 36.60 O HETATM 1182 O HOH 32 70.181 41.136 -10.750 1.00 43.70 O HETATM 1183 O HOH 33 56.383 43.108 -11.955 1.00 59.90 O HETATM 1184 O HOH 34 62.597 28.730 16.378 1.00 33.50 O HETATM 1185 O HOH 35 63.249 26.181 17.459 1.00 31.59 O HETATM 1186 O HOH 36 51.995 24.699 -14.089 1.00 54.21 O HETATM 1187 O HOH 37 73.554 47.716 0.341 1.00 54.73 O HETATM 1188 O HOH 38 64.182 46.301 -6.208 1.00 32.25 O HETATM 1189 O HOH 39 54.323 24.842 -10.397 1.00 44.37 O HETATM 1190 O HOH 40 55.862 12.064 8.882 1.00 37.89 O HETATM 1191 O HOH 41 55.869 29.697 15.926 1.00 51.47 O HETATM 1192 O HOH 42 60.473 32.227 -13.625 1.00 47.63 O HETATM 1193 O HOH 43 53.587 27.257 16.601 1.00 60.13 O HETATM 1194 O HOH 44 56.551 21.343 12.848 1.00 30.19 O HETATM 1195 O HOH 45 67.649 39.886 -18.671 1.00 55.05 O HETATM 1196 O HOH 46 72.461 27.714 -3.252 1.00 34.98 O HETATM 1197 O HOH 47 33.593 17.189 13.864 1.00 50.89 O HETATM 1198 O HOH 48 74.417 48.578 2.602 1.00 66.28 O HETATM 1199 O HOH 49 63.592 49.917 13.935 1.00 56.75 O HETATM 1200 O HOH 50 61.438 47.604 -14.410 1.00 51.20 O HETATM 1201 O HOH 51 54.855 42.358 -6.102 1.00 67.57 O HETATM 1202 O HOH 52 35.441 9.390 8.903 1.00 52.04 O HETATM 1203 O HOH 53 67.695 48.047 9.743 1.00 52.95 O HETATM 1204 O HOH 54 63.070 29.605 13.922 1.00 37.42 O HETATM 1205 O HOH 55 72.880 39.263 -4.170 1.00 55.43 O HETATM 1206 O HOH 56 56.393 18.185 -15.598 1.00 47.84 O HETATM 1207 O HOH 57 74.098 24.501 -6.454 1.00 53.86 O HETATM 1208 O HOH 58 74.159 37.410 -2.395 1.00 52.80 O HETATM 1209 O HOH 59 56.863 9.398 8.577 1.00 46.90 O HETATM 1210 O HOH 60 60.316 16.969 -10.849 1.00 42.82 O HETATM 1211 O HOH 61 33.582 18.717 1.373 1.00 49.87 O HETATM 1212 O HOH 62 68.721 20.443 9.968 1.00 50.25 O HETATM 1213 O HOH 63 66.393 45.524 -10.129 1.00 46.85 O HETATM 1214 O HOH 64 72.259 39.202 -6.746 1.00 40.30 O HETATM 1215 O HOH 65 69.860 44.349 -9.117 1.00 60.52 O HETATM 1216 O HOH 66 50.478 23.237 -16.838 1.00 54.30 O HETATM 1217 O HOH 67 66.803 35.209 2.575 1.00 21.81 O HETATM 1218 O HOH 68 52.168 33.075 2.858 1.00 26.70 O HETATM 1219 O HOH 69 59.510 35.228 -5.783 1.00 25.24 O HETATM 1220 O HOH 70 68.288 18.113 4.499 1.00 51.86 O HETATM 1221 O HOH 71 60.596 37.015 -7.353 1.00 25.58 O HETATM 1222 O HOH 72 52.105 39.602 -1.644 1.00 51.17 O HETATM 1223 O HOH 73 56.089 40.095 4.768 1.00 26.59 O HETATM 1224 O HOH 74 64.243 15.286 4.240 1.00 47.87 O HETATM 1225 O HOH 75 50.765 23.756 -5.592 1.00 33.58 O HETATM 1226 O HOH 76 57.312 16.351 -8.022 1.00 37.14 O HETATM 1227 O HOH 77 52.798 35.476 1.819 1.00 29.63 O HETATM 1228 O HOH 78 48.754 29.981 0.286 1.00 32.14 O HETATM 1229 O HOH 79 73.090 41.933 10.923 1.00 46.90 O HETATM 1230 O HOH 80 62.555 36.327 0.340 1.00 25.72 O HETATM 1231 O HOH 81 45.269 17.107 6.806 1.00 45.33 O HETATM 1232 O HOH 82 62.402 45.637 16.498 1.00 61.83 O HETATM 1233 O HOH 83 50.392 12.019 5.412 1.00 38.66 O HETATM 1234 O HOH 84 68.749 27.016 4.385 1.00 31.58 O HETATM 1235 O HOH 85 53.334 32.180 7.224 1.00 31.67 O HETATM 1236 O HOH 86 61.454 43.476 -13.775 1.00 38.50 O HETATM 1237 O HOH 87 57.592 34.185 -7.529 1.00 34.60 O HETATM 1238 O HOH 88 46.457 19.245 0.763 1.00 64.81 O HETATM 1239 O HOH 89 69.467 40.112 -8.072 1.00 33.43 O HETATM 1240 O HOH 90 66.709 31.407 11.228 1.00 51.37 O HETATM 1241 O HOH 91 55.522 32.716 10.001 1.00 32.37 O HETATM 1242 O HOH 92 57.307 40.248 11.879 1.00 48.51 O HETATM 1243 O HOH 93 58.393 36.539 10.145 1.00 40.50 O HETATM 1244 O HOH 94 51.823 33.881 5.537 1.00 35.90 O HETATM 1245 O HOH 95 70.678 25.401 3.814 1.00 43.45 O HETATM 1246 O HOH 96 62.095 37.163 3.474 1.00 28.05 O HETATM 1247 O HOH 97 67.685 25.370 5.917 1.00 30.79 O HETATM 1248 O HOH 98 44.118 9.816 3.399 1.00 60.06 O HETATM 1249 O HOH 99 51.103 13.056 -8.141 1.00 55.08 O HETATM 1250 O HOH 100 66.858 20.144 -5.480 1.00 35.67 O HETATM 1251 O HOH 101 59.240 15.791 -3.177 1.00 46.18 O HETATM 1252 O HOH 102 48.167 24.958 0.084 1.00 44.67 O HETATM 1253 O HOH 103 54.906 39.404 1.223 1.00 39.53 O HETATM 1254 O HOH 104 59.089 31.043 15.579 1.00 47.49 O HETATM 1255 O HOH 105 52.674 38.153 2.561 1.00 36.64 O HETATM 1256 O HOH 106 44.592 11.771 9.263 1.00 60.34 O HETATM 1257 O HOH 107 57.693 32.564 12.520 1.00 36.92 O HETATM 1258 O HOH 108 71.566 24.381 1.348 1.00 36.53 O HETATM 1259 O HOH 109 53.481 39.080 5.194 1.00 35.49 O HETATM 1260 O HOH 110 46.950 11.611 2.626 1.00 53.24 O HETATM 1261 O HOH 111 45.549 21.781 12.409 1.00 46.52 O HETATM 1262 O HOH 112 68.163 43.975 -11.509 1.00 54.13 O HETATM 1263 O HOH 113 63.214 19.355 9.791 1.00 34.80 O HETATM 1264 O HOH 114 46.560 18.440 8.639 1.00 39.97 O HETATM 1265 O HOH 115 73.420 31.871 -0.255 1.00 35.91 O HETATM 1266 O HOH 116 64.753 33.723 11.804 1.00 37.21 O HETATM 1267 O HOH 117 66.342 17.242 -5.381 1.00 46.85 O HETATM 1268 O HOH 118 48.207 23.168 -4.618 1.00 50.00 O HETATM 1269 O HOH 119 43.924 15.371 8.295 1.00 53.30 O HETATM 1270 O HOH 120 48.570 30.052 -2.591 1.00 49.97 O HETATM 1271 O HOH 121 57.315 15.604 -5.296 1.00 46.13 O HETATM 1272 O HOH 122 48.796 26.912 3.160 1.00 47.76 O HETATM 1273 O HOH 123 61.836 13.099 5.146 1.00 44.15 O HETATM 1274 O HOH 124 46.007 25.924 9.577 1.00 46.90 O HETATM 1275 O HOH 125 51.809 35.546 -4.616 1.00 46.17 O HETATM 1276 O HOH 126 60.204 33.726 12.472 1.00 43.23 O HETATM 1277 O HOH 127 62.659 38.919 -0.066 1.00 46.49 O HETATM 1278 O HOH 128 55.728 13.457 -5.448 1.00 52.05 O HETATM 1279 O HOH 129 57.582 8.723 6.004 1.00 55.44 O HETATM 1280 O HOH 130 56.558 35.035 10.709 1.00 54.26 O HETATM 1281 O HOH 131 54.515 14.756 -13.223 1.00 65.78 O HETATM 1282 O HOH 132 53.476 39.726 11.766 1.00 57.97 O HETATM 1283 O HOH 133 50.865 31.705 -3.544 1.00 36.02 O HETATM 1284 O HOH 134 63.781 35.861 10.285 1.00 31.34 O HETATM 1285 O HOH 135 55.419 42.798 4.153 1.00 35.08 O HETATM 1286 O HOH 136 71.549 21.619 1.956 1.00 50.41 O HETATM 1287 O HOH 137 64.904 38.480 10.287 1.00 38.61 O HETATM 1288 O HOH 138 73.693 31.662 2.386 1.00 37.10 O HETATM 1289 O HOH 139 50.311 33.390 -5.432 1.00 45.41 O HETATM 1290 O HOH 140 73.757 28.832 4.019 1.00 47.20 O HETATM 1291 O HOH 141 67.348 37.985 11.528 1.00 49.94 O HETATM 1292 O HOH 142 71.813 35.996 7.724 1.00 33.12 O HETATM 1293 O HOH 143 64.762 37.255 6.112 1.00 25.80 O HETATM 1294 O HOH 144 63.859 35.334 7.671 1.00 21.75 O HETATM 1295 O HOH 145 65.763 39.176 7.943 1.00 29.19 O HETATM 1296 O HOH 146 71.393 26.868 7.794 1.00 45.44 O HETATM 1297 O HOH 147 69.273 24.862 8.195 1.00 33.27 O HETATM 1298 O HOH 148 67.911 25.875 10.441 1.00 27.22 O HETATM 1299 O HOH 149 71.154 25.331 -2.864 1.00 31.11 O HETATM 1300 O HOH 150 64.044 35.002 2.130 1.00 24.18 O HETATM 1301 O HOH 151 53.726 29.816 11.062 1.00 36.02 O HETATM 1302 O HOH 152 52.933 27.790 12.277 1.00 46.39 O HETATM 1303 O HOH 153 52.701 29.755 8.671 1.00 28.39 O HETATM 1304 O HOH 154 50.156 32.272 1.096 1.00 32.58 O HETATM 1305 O HOH 155 50.953 33.428 -1.495 1.00 31.16 O HETATM 1306 O HOH 156 52.760 30.245 -4.695 1.00 31.02 O HETATM 1307 O HOH 157 51.758 29.971 -7.203 1.00 39.50 O HETATM 1308 O HOH 158 49.013 27.734 -4.728 1.00 57.75 O HETATM 1309 O HOH 159 50.384 27.558 -8.389 1.00 60.72 O HETATM 1310 O HOH 160 55.610 33.145 -10.231 1.00 46.60 O HETATM 1311 O HOH 161 61.999 34.752 -14.300 1.00 55.56 O HETATM 1312 O HOH 162 62.141 39.471 -16.310 1.00 59.45 O HETATM 1313 O HOH 163 59.005 10.892 2.775 1.00 58.51 O HETATM 1314 O HOH 164 38.912 10.546 8.733 1.00 54.80 O HETATM 1315 O HOH 165 39.687 11.794 3.379 1.00 54.99 O HETATM 1316 O HOH 166 69.085 20.666 5.724 1.00 55.43 O HETATM 1317 O HOH 167 66.922 17.580 9.413 1.00 56.76 O HETATM 1318 O HOH 168 69.567 20.275 2.596 1.00 45.40 O HETATM 1319 O HOH 169 58.899 38.381 12.176 1.00 44.93 O HETATM 1320 O HOH 170 47.615 24.586 -2.398 1.00 48.02 O HETATM 1321 O HOH 171 67.024 46.878 6.314 1.00 44.00 O HETATM 1322 O HOH 172 46.022 21.423 7.126 1.00 57.75 O HETATM 1323 O HOH 173 70.303 16.304 0.607 1.00 53.98 O HETATM 1324 O HOH 174 60.420 14.552 -6.029 1.00 59.88 O HETATM 1325 O HOH 175 57.173 14.837 -12.614 1.00 51.92 O HETATM 1326 O HOH 176 68.010 18.617 7.351 1.00 56.42 O HETATM 1327 O HOH 177 74.304 35.385 -1.095 1.00 55.11 O HETATM 1328 O HOH 178 75.766 38.420 5.925 1.00 49.88 O HETATM 1329 O HOH 179 75.217 33.905 3.089 1.00 56.24 O HETATM 1330 O HOH 180 73.761 38.725 10.773 1.00 56.07 O HETATM 1331 O HOH 181 71.738 27.649 5.211 1.00 46.45 O HETATM 1332 O HOH 182 72.053 34.098 9.526 1.00 47.77 O HETATM 1333 O HOH 183 62.952 39.618 11.781 1.00 50.37 O HETATM 1334 O HOH 184 61.598 35.479 10.578 1.00 40.35 O HETATM 1335 O HOH 185 74.927 29.568 9.087 1.00 64.03 O HETATM 1336 O HOH 186 75.783 33.696 8.304 1.00 55.84 O HETATM 1337 O HOH 187 77.280 31.891 7.008 1.00 54.24 O HETATM 1338 O HOH 188 76.418 29.900 5.332 1.00 57.46 O HETATM 1339 O HOH 189 70.851 23.119 4.914 1.00 58.35 O HETATM 1340 O HOH 190 69.773 36.158 11.808 1.00 60.76 O HETATM 1341 O HOH 191 54.648 45.090 11.618 1.00 58.27 O HETATM 1342 O HOH 192 61.279 42.321 11.212 1.00 47.43 O HETATM 1343 O HOH 193 56.983 39.059 16.154 1.00 62.54 O HETATM 1344 O HOH 194 70.485 49.068 5.496 1.00 63.35 O HETATM 1345 O HOH 195 50.220 30.540 9.697 1.00 45.33 O HETATM 1346 O HOH 196 47.723 29.685 9.450 1.00 55.25 O HETATM 1347 O HOH 197 50.651 28.386 13.269 1.00 46.96 O HETATM 1348 O HOH 198 61.131 31.569 14.004 1.00 40.44 O HETATM 1349 O HOH 199 49.533 25.271 -7.630 1.00 50.90 O HETATM 1350 O HOH 200 53.769 29.062 -9.017 1.00 44.33 O HETATM 1351 O HOH 201 57.925 36.812 -14.143 1.00 58.13 O HETATM 1352 O HOH 202 44.078 17.242 -3.249 1.00 74.16 O HETATM 1353 O HOH 203 46.435 14.515 0.467 1.00 60.14 O HETATM 1354 O HOH 204 73.409 43.855 -0.349 1.00 48.78 O HETATM 1355 O HOH 205 71.011 42.950 -4.774 1.00 49.63 O HETATM 1356 O HOH 206 53.493 35.352 -8.192 1.00 56.97 O HETATM 1357 O HOH 207 74.239 35.752 6.192 1.00 55.49 O HETATM 1358 O HOH 208 75.909 37.428 10.111 1.00 67.85 O HETATM 1359 O HOH 209 39.973 8.823 4.979 1.00 62.45 O HETATM 1360 O HOH 210 43.954 7.951 8.574 1.00 60.70 O HETATM 1361 O HOH 211 48.552 5.675 8.432 1.00 64.38 O HETATM 1362 O HOH 212 45.994 9.497 9.958 1.00 66.42 O HETATM 1363 O HOH 213 43.343 11.666 1.466 1.00 68.87 O HETATM 1364 O HOH 214 47.415 22.023 0.290 1.00 51.28 O HETATM 1365 O HOH 215 61.565 10.734 3.986 1.00 54.90 O HETATM 1366 O HOH 216 58.214 14.412 -1.118 1.00 68.67 O HETATM 1367 O HOH 217 51.984 40.950 6.389 1.00 50.07 O HETATM 1368 O HOH 218 52.753 33.854 9.751 1.00 46.10 O HETATM 1369 O HOH 219 74.900 36.089 1.466 1.00 56.99 O HETATM 1370 O HOH 220 63.514 37.482 -16.165 1.00 58.60 O HETATM 1371 O HOH 221 56.306 43.214 11.619 1.00 48.98 O HETATM 1372 O HOH 222 57.765 41.045 -15.075 1.00 49.16 O HETATM 1373 O HOH 223 48.273 19.460 -3.023 1.00 54.79 O HETATM 1374 O HOH 224 46.701 21.043 -1.814 1.00 51.20 O HETATM 1375 O HOH 225 60.846 13.277 9.401 1.00 51.66 O HETATM 1376 O HOH 226 57.102 9.780 3.676 1.00 47.04 O HETATM 1377 O HOH 227 74.271 25.308 0.637 1.00 42.56 O HETATM 1378 O HOH 228 69.405 30.697 10.446 1.00 43.74 O HETATM 1379 O HOH 229 69.779 27.530 11.661 1.00 44.60 O HETATM 1380 O HOH 230 37.510 17.202 9.232 1.00 51.91 O HETATM 1381 O HOH 231 69.825 22.088 7.953 1.00 48.73 O HETATM 1382 O HOH 232 51.954 18.323 -10.901 1.00 49.90 O HETATM 1383 O HOH 233 55.253 35.926 13.011 1.00 47.22 O HETATM 1384 O HOH 234 56.993 34.431 16.677 1.00 51.33 O HETATM 1385 O HOH 235 47.185 27.566 7.828 1.00 52.79 O HETATM 1386 O HOH 236 47.689 27.922 13.024 1.00 55.60 O HETATM 1387 O HOH 237 67.239 16.875 -2.078 1.00 52.49 O HETATM 1388 O HOH 238 65.072 14.683 -1.007 1.00 53.20 O HETATM 1389 O HOH 239 35.966 20.652 3.399 1.00 51.95 O HETATM 1390 CAA UNN A 240 72.537 37.025 4.001 1.00 -0.03 C HETATM 1391 CAT UNN A 240 72.418 38.307 3.206 1.00 0.03 C HETATM 1392 CAN UNN A 240 73.153 38.595 2.135 1.00 0.07 C HETATM 1393 NAZ UNN A 240 72.693 39.780 1.736 1.00 -0.18 N HETATM 1394 NAS UNN A 240 71.723 40.146 2.573 1.00 -0.10 N HETATM 1395 NAR UNN A 240 71.548 39.294 3.446 1.00 -0.23 N HETATM 1396 CAO UNN A 240 73.088 40.678 0.622 1.00 0.10 C HETATM 1397 CAP UNN A 240 72.707 40.042 -0.714 1.00 0.09 C HETATM 1398 NBA UNN A 240 71.224 40.148 -0.853 1.00 -0.23 N HETATM 1399 CAM UNN A 240 70.638 41.233 -1.308 1.00 0.11 C HETATM 1400 NAQ UNN A 240 69.296 41.075 -1.300 1.00 -0.31 N HETATM 1401 CAX UNN A 240 69.042 39.831 -0.814 1.00 0.04 C HETATM 1402 CAV UNN A 240 67.768 39.371 -0.706 1.00 -0.02 C HETATM 1403 CAG UNN A 240 66.739 40.278 -0.683 1.00 -0.06 C HETATM 1404 CAE UNN A 240 65.412 39.932 -0.640 1.00 -0.07 C HETATM 1405 CAD UNN A 240 65.100 38.590 -0.540 1.00 -0.07 C HETATM 1406 CAF UNN A 240 66.121 37.660 -0.526 1.00 -0.07 C HETATM 1407 CAH UNN A 240 67.426 38.006 -0.644 1.00 -0.06 C HETATM 1408 H14 UNN A 240 68.195 37.244 -0.690 1.00 0.06 H HETATM 1409 H13 UNN A 240 65.868 36.612 -0.416 1.00 0.06 H HETATM 1410 H12 UNN A 240 64.066 38.271 -0.473 1.00 0.06 H HETATM 1411 H11 UNN A 240 64.635 40.686 -0.683 1.00 0.06 H HETATM 1412 H10 UNN A 240 66.990 41.333 -0.700 1.00 0.06 H HETATM 1413 CAY UNN A 240 70.229 39.253 -0.511 1.00 0.10 C HETATM 1414 CAW UNN A 240 70.441 38.006 -0.001 1.00 0.01 C HETATM 1415 CAK UNN A 240 69.806 37.627 1.207 1.00 -0.04 C HETATM 1416 CAI UNN A 240 70.007 36.365 1.757 1.00 -0.03 C HETATM 1417 CAU UNN A 240 70.834 35.457 1.125 1.00 0.09 C HETATM 1418 CAC UNN A 240 71.028 34.110 1.674 1.00 0.09 C HETATM 1419 NAB UNN A 240 71.167 33.091 2.099 1.00 -0.33 N HETATM 1420 CAJ UNN A 240 71.451 35.804 -0.085 1.00 -0.03 C HETATM 1421 CAL UNN A 240 71.252 37.075 -0.639 1.00 -0.04 C HETATM 1422 H18 UNN A 240 71.735 37.335 -1.574 1.00 0.06 H HETATM 1423 H17 UNN A 240 72.084 35.086 -0.594 1.00 0.07 H HETATM 1424 H16 UNN A 240 69.514 36.094 2.683 1.00 0.07 H HETATM 1425 H15 UNN A 240 69.153 38.331 1.711 1.00 0.06 H HETATM 1426 H9 UNN A 240 71.158 42.129 -1.643 1.00 0.13 H HETATM 1427 H7 UNN A 240 73.011 38.985 -0.727 1.00 0.07 H HETATM 1428 H8 UNN A 240 73.201 40.576 -1.539 1.00 0.07 H HETATM 1429 H5 UNN A 240 74.175 40.841 0.652 1.00 0.07 H HETATM 1430 H6 UNN A 240 72.570 41.642 0.729 1.00 0.07 H HETATM 1431 H4 UNN A 240 73.947 37.999 1.688 1.00 0.09 H HETATM 1432 H1 UNN A 240 73.337 36.402 3.575 1.00 0.03 H HETATM 1433 H2 UNN A 240 71.584 36.477 3.958 1.00 0.03 H HETATM 1434 H3 UNN A 240 72.776 37.264 5.048 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1390 1391 1432 1433 1434 CONECT 1391 1390 1392 1395 CONECT 1392 1391 1393 1431 CONECT 1393 1392 1394 1396 CONECT 1394 1393 1395 CONECT 1395 1391 1394 CONECT 1396 1393 1397 1429 1430 CONECT 1397 1396 1398 1427 1428 CONECT 1398 1397 1399 1413 CONECT 1399 1398 1400 1426 CONECT 1400 1399 1401 CONECT 1401 1400 1402 1413 CONECT 1402 1401 1403 1407 CONECT 1403 1402 1404 1412 CONECT 1404 1403 1405 1411 CONECT 1405 1404 1406 1410 CONECT 1406 1405 1407 1409 CONECT 1407 1402 1406 1408 CONECT 1408 1407 CONECT 1409 1406 CONECT 1410 1405 CONECT 1411 1404 CONECT 1412 1403 CONECT 1413 1398 1401 1414 CONECT 1414 1413 1415 1421 CONECT 1415 1414 1416 1425 CONECT 1416 1415 1417 1424 CONECT 1417 1416 1418 1420 CONECT 1418 1417 1419 CONECT 1419 1418 CONECT 1420 1417 1421 1423 CONECT 1421 1414 1420 1422 CONECT 1422 1421 CONECT 1423 1420 CONECT 1424 1416 CONECT 1425 1415 CONECT 1426 1399 CONECT 1427 1397 CONECT 1428 1397 CONECT 1429 1396 CONECT 1430 1396 CONECT 1431 1392 CONECT 1432 1390 CONECT 1433 1390 CONECT 1434 1390 MASTER 0 0 0 0 0 0 0 0 1433 1 49 9 END
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Structure:
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Related entries of code: 4xua
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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
4xua
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B
Ligand Name
43C
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
IC50=26uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 2553-2559
Ligand Properties
Formula
C
2
1
H
1
8
N
6
Molecular Weight
354.408
Exact Mass
354.159
No. of atoms
45
No. of bonds
48
Polar Surface Area
72.32
LOGP Value
2.79 (
Computed with XLOGP3
)
3.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C
InChI String
InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UIF8
Entrez Gene ID
NCBI Entrez Gene ID:
29994
ASD
Information of known allosteric effects of PDB entries
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