Browse entries in the PDBbind-CN Database
HEADER 4NRC_COMPLEX COMPND 4NRC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 SER MET SER VAL LYS LYS PRO LYS ARG ASP ASP SER LYS SEQRES 2 A 115 ASP LEU ALA LEU CYS SER MET ILE LEU THR GLU MET GLU SEQRES 3 A 115 THR HIS GLU ASP ALA TRP PRO PHE LEU LEU PRO VAL ASN SEQRES 4 A 115 LEU LYS LEU VAL PRO GLY TYR LYS LYS VAL ILE LYS LYS SEQRES 5 A 115 PRO MET ASP PHE SER THR ILE ARG GLU LYS LEU SER SER SEQRES 6 A 115 GLY GLN TYR PRO ASN LEU GLU THR PHE ALA LEU ASP VAL SEQRES 7 A 115 ARG LEU VAL PHE ASP ASN CYS GLU THR PHE ASN GLU ASP SEQRES 8 A 115 ASP SER ASP ILE GLY ARG ALA GLY HIS ASN MET ARG LYS SEQRES 9 A 115 TYR PHE GLU LYS LYS TRP THR ASP THR PHE LYS HET UNN A 347 22 ATOM 1 N SER A1856 10.041 -28.466 -11.226 1.00 17.97 N ATOM 2 CA SER A1856 10.515 -27.813 -12.447 1.00 18.28 C ATOM 3 C SER A1856 10.471 -28.806 -13.615 1.00 22.39 C ATOM 4 O SER A1856 9.905 -29.889 -13.448 1.00 21.13 O ATOM 5 CB SER A1856 11.924 -27.264 -12.229 1.00 20.75 C ATOM 6 OG SER A1856 12.894 -28.295 -12.191 1.00 24.41 O ATOM 7 HG SER A1856 12.883 -28.789 -13.049 1.00 0.00 H ATOM 8 HN3 SER A1856 10.651 -29.280 -11.010 1.00 0.00 H ATOM 9 HN2 SER A1856 9.063 -28.792 -11.366 1.00 0.00 H ATOM 10 HN1 SER A1856 10.073 -27.789 -10.437 1.00 0.00 H ATOM 11 N MET A1857 11.066 -28.459 -14.784 1.00 19.48 N ATOM 12 CA MET A1857 11.069 -29.339 -15.966 1.00 19.91 C ATOM 13 C MET A1857 11.611 -30.745 -15.628 1.00 24.46 C ATOM 14 O MET A1857 12.751 -30.888 -15.168 1.00 23.51 O ATOM 15 CB MET A1857 11.872 -28.726 -17.108 1.00 22.42 C ATOM 16 CG MET A1857 11.696 -29.454 -18.425 1.00 25.95 C ATOM 17 SD MET A1857 12.891 -28.979 -19.709 1.00 29.52 S ATOM 18 CE MET A1857 12.817 -27.262 -19.688 1.00 27.77 C ATOM 19 H MET A1857 11.539 -27.535 -14.848 1.00 0.00 H ATOM 20 N SER A1858 10.755 -31.767 -15.835 1.00 21.14 N ATOM 21 CA SER A1858 11.025 -33.199 -15.564 1.00 20.69 C ATOM 22 C SER A1858 11.250 -33.487 -14.055 1.00 22.54 C ATOM 23 O SER A1858 11.830 -34.517 -13.710 1.00 22.84 O ATOM 24 CB SER A1858 12.220 -33.696 -16.386 1.00 21.96 C ATOM 25 OG SER A1858 12.020 -33.442 -17.769 1.00 22.97 O ATOM 26 HG SER A1858 12.802 -33.770 -18.280 1.00 0.00 H ATOM 27 H SER A1858 9.819 -31.528 -16.220 1.00 0.00 H ATOM 28 N VAL A1859 10.777 -32.594 -13.153 1.00 19.18 N ATOM 29 CA VAL A1859 10.930 -32.753 -11.693 1.00 19.50 C ATOM 30 C VAL A1859 9.572 -32.487 -11.053 1.00 24.52 C ATOM 31 O VAL A1859 9.174 -31.333 -10.863 1.00 23.78 O ATOM 32 CB VAL A1859 12.052 -31.869 -11.088 1.00 21.58 C ATOM 33 CG1 VAL A1859 12.210 -32.129 -9.584 1.00 21.09 C ATOM 34 CG2 VAL A1859 13.377 -32.071 -11.822 1.00 21.39 C ATOM 35 H VAL A1859 10.280 -31.752 -13.507 1.00 0.00 H ATOM 36 N LYS A1860 8.846 -33.562 -10.753 1.00 21.80 N ATOM 37 CA LYS A1860 7.495 -33.429 -10.221 1.00 22.69 C ATOM 38 C LYS A1860 7.275 -34.232 -8.973 1.00 25.63 C ATOM 39 O LYS A1860 7.806 -35.335 -8.841 1.00 24.14 O ATOM 40 CB LYS A1860 6.454 -33.889 -11.285 1.00 25.78 C ATOM 41 CG LYS A1860 6.471 -33.100 -12.590 1.00 33.42 C ATOM 42 CD LYS A1860 5.941 -31.685 -12.425 1.00 43.44 C ATOM 43 CE LYS A1860 6.231 -30.877 -13.659 1.00 51.79 C ATOM 44 NZ LYS A1860 5.938 -29.442 -13.449 1.00 61.29 N ATOM 45 HZ1 LYS A1860 4.933 -29.326 -13.208 1.00 0.00 H ATOM 46 HZ2 LYS A1860 6.526 -29.079 -12.672 1.00 0.00 H ATOM 47 HZ3 LYS A1860 6.150 -28.915 -14.320 1.00 0.00 H ATOM 48 H LYS A1860 9.248 -34.510 -10.900 1.00 0.00 H ATOM 49 N LYS A1861 6.434 -33.704 -8.082 1.00 24.79 N ATOM 50 CA LYS A1861 5.991 -34.432 -6.897 1.00 26.87 C ATOM 51 C LYS A1861 5.117 -35.612 -7.375 1.00 31.95 C ATOM 52 O LYS A1861 4.552 -35.513 -8.479 1.00 31.21 O ATOM 53 CB LYS A1861 5.172 -33.518 -5.958 1.00 31.52 C ATOM 54 CG LYS A1861 5.927 -32.334 -5.381 1.00 42.24 C ATOM 55 CD LYS A1861 5.096 -31.619 -4.330 1.00 48.41 C ATOM 56 CE LYS A1861 5.606 -30.221 -4.075 1.00 55.33 C ATOM 57 NZ LYS A1861 4.955 -29.608 -2.891 1.00 60.69 N ATOM 58 HZ1 LYS A1861 3.928 -29.559 -3.048 1.00 0.00 H ATOM 59 HZ2 LYS A1861 5.151 -30.188 -2.050 1.00 0.00 H ATOM 60 HZ3 LYS A1861 5.331 -28.649 -2.748 1.00 0.00 H ATOM 61 H LYS A1861 6.081 -32.738 -8.238 1.00 0.00 H ATOM 62 N PRO A1862 4.956 -36.707 -6.586 1.00 29.25 N ATOM 63 CA PRO A1862 4.082 -37.812 -7.029 1.00 30.05 C ATOM 64 C PRO A1862 2.679 -37.304 -7.388 1.00 34.62 C ATOM 65 O PRO A1862 2.161 -36.406 -6.716 1.00 32.82 O ATOM 66 CB PRO A1862 4.074 -38.754 -5.822 1.00 32.70 C ATOM 67 CG PRO A1862 5.389 -38.495 -5.160 1.00 36.32 C ATOM 68 CD PRO A1862 5.558 -37.006 -5.270 1.00 30.85 C ATOM 69 N LYS A1863 2.109 -37.819 -8.502 1.00 32.90 N ATOM 70 CA LYS A1863 0.833 -37.347 -9.030 1.00 34.53 C ATOM 71 C LYS A1863 -0.347 -37.655 -8.105 1.00 39.26 C ATOM 72 O LYS A1863 -0.573 -38.800 -7.721 1.00 39.98 O ATOM 73 CB LYS A1863 0.562 -37.910 -10.437 1.00 38.29 C ATOM 74 H LYS A1863 2.602 -38.585 -9.004 1.00 0.00 H ATOM 75 N ARG A1864 -1.077 -36.606 -7.746 1.00 38.22 N ATOM 76 CA ARG A1864 -2.285 -36.663 -6.928 1.00 37.27 C ATOM 77 C ARG A1864 -3.482 -37.013 -7.833 1.00 39.84 C ATOM 78 O ARG A1864 -3.578 -36.490 -8.951 1.00 38.49 O ATOM 79 CB ARG A1864 -2.493 -35.310 -6.223 1.00 36.18 C ATOM 80 CG ARG A1864 -3.744 -35.231 -5.372 1.00 40.35 C ATOM 81 CD ARG A1864 -4.094 -33.814 -4.957 1.00 39.83 C ATOM 82 NE ARG A1864 -5.451 -33.788 -4.416 1.00 36.95 N ATOM 83 CZ ARG A1864 -6.530 -33.457 -5.116 1.00 46.26 C ATOM 84 NH1 ARG A1864 -6.412 -33.024 -6.366 1.00 32.96 N ATOM 85 NH2 ARG A1864 -7.734 -33.522 -4.560 1.00 31.40 N ATOM 86 HE ARG A1864 -5.581 -34.046 -3.417 1.00 0.00 H ATOM 87 HH12 ARG A1864 -7.261 -32.766 -6.909 1.00 0.00 H ATOM 88 HH11 ARG A1864 -5.471 -32.943 -6.802 1.00 0.00 H ATOM 89 HH22 ARG A1864 -8.576 -33.262 -5.112 1.00 0.00 H ATOM 90 HH21 ARG A1864 -7.835 -33.833 -3.573 1.00 0.00 H ATOM 91 H ARG A1864 -0.764 -35.670 -8.073 1.00 0.00 H ATOM 92 N ASP A1865 -4.376 -37.909 -7.368 1.00 35.86 N ATOM 93 CA ASP A1865 -5.570 -38.262 -8.138 1.00 34.24 C ATOM 94 C ASP A1865 -6.586 -37.108 -7.999 1.00 34.57 C ATOM 95 O ASP A1865 -7.136 -36.886 -6.925 1.00 34.48 O ATOM 96 CB ASP A1865 -6.154 -39.621 -7.689 1.00 36.27 C ATOM 97 CG ASP A1865 -7.410 -40.060 -8.438 1.00 41.62 C ATOM 98 OD1 ASP A1865 -7.814 -39.359 -9.397 1.00 38.18 O ATOM 99 OD2 ASP A1865 -7.984 -41.101 -8.069 1.00 51.05 O ATOM 100 H ASP A1865 -4.214 -38.358 -6.444 1.00 0.00 H ATOM 101 N ASP A1866 -6.784 -36.341 -9.074 1.00 28.96 N ATOM 102 CA ASP A1866 -7.697 -35.187 -9.045 1.00 27.13 C ATOM 103 C ASP A1866 -9.016 -35.478 -9.785 1.00 27.88 C ATOM 104 O ASP A1866 -9.813 -34.559 -9.980 1.00 26.94 O ATOM 105 CB ASP A1866 -6.995 -33.951 -9.660 1.00 28.88 C ATOM 106 CG ASP A1866 -6.504 -34.130 -11.085 1.00 38.93 C ATOM 107 OD1 ASP A1866 -6.251 -35.289 -11.489 1.00 40.02 O ATOM 108 OD2 ASP A1866 -6.337 -33.109 -11.787 1.00 44.77 O ATOM 109 H ASP A1866 -6.280 -36.565 -9.955 1.00 0.00 H ATOM 110 N SER A1867 -9.249 -36.743 -10.178 1.00 24.89 N ATOM 111 CA SER A1867 -10.412 -37.152 -10.994 1.00 24.86 C ATOM 112 C SER A1867 -11.762 -36.962 -10.280 1.00 27.94 C ATOM 113 O SER A1867 -12.768 -36.806 -10.960 1.00 26.94 O ATOM 114 CB SER A1867 -10.279 -38.598 -11.468 1.00 26.99 C ATOM 115 OG SER A1867 -10.360 -39.518 -10.390 1.00 29.73 O ATOM 116 HG SER A1867 -9.631 -39.334 -9.745 1.00 0.00 H ATOM 117 H SER A1867 -8.571 -37.477 -9.891 1.00 0.00 H ATOM 118 N LYS A1868 -11.776 -36.937 -8.932 1.00 24.84 N ATOM 119 CA LYS A1868 -13.013 -36.778 -8.142 1.00 24.01 C ATOM 120 C LYS A1868 -13.251 -35.328 -7.676 1.00 26.28 C ATOM 121 O LYS A1868 -14.305 -35.042 -7.107 1.00 25.36 O ATOM 122 CB LYS A1868 -12.982 -37.695 -6.915 1.00 26.93 C ATOM 123 CG LYS A1868 -12.791 -39.173 -7.249 1.00 37.56 C ATOM 124 CD LYS A1868 -12.624 -39.997 -5.984 1.00 52.09 C ATOM 125 H LYS A1868 -10.873 -37.034 -8.425 1.00 0.00 H ATOM 126 N ASP A1869 -12.289 -34.430 -7.917 1.00 22.94 N ATOM 127 CA ASP A1869 -12.348 -33.037 -7.481 1.00 21.92 C ATOM 128 C ASP A1869 -13.621 -32.309 -7.910 1.00 23.12 C ATOM 129 O ASP A1869 -14.223 -31.637 -7.078 1.00 21.36 O ATOM 130 CB ASP A1869 -11.111 -32.256 -7.963 1.00 23.22 C ATOM 131 CG ASP A1869 -9.818 -32.598 -7.234 1.00 25.63 C ATOM 132 OD1 ASP A1869 -9.833 -33.518 -6.379 1.00 25.73 O ATOM 133 OD2 ASP A1869 -8.791 -31.985 -7.545 1.00 29.37 O ATOM 134 H ASP A1869 -11.450 -34.742 -8.446 1.00 0.00 H ATOM 135 N LEU A1870 -14.027 -32.440 -9.181 1.00 20.16 N ATOM 136 CA LEU A1870 -15.221 -31.789 -9.715 1.00 19.71 C ATOM 137 C LEU A1870 -16.492 -32.240 -8.953 1.00 23.30 C ATOM 138 O LEU A1870 -17.294 -31.394 -8.537 1.00 21.55 O ATOM 139 CB LEU A1870 -15.353 -32.087 -11.224 1.00 19.69 C ATOM 140 CG LEU A1870 -16.534 -31.450 -11.956 1.00 23.04 C ATOM 141 CD1 LEU A1870 -16.496 -29.904 -11.857 1.00 22.21 C ATOM 142 CD2 LEU A1870 -16.545 -31.889 -13.418 1.00 22.53 C ATOM 143 H LEU A1870 -13.463 -33.036 -9.820 1.00 0.00 H ATOM 144 N ALA A1871 -16.647 -33.555 -8.776 1.00 21.45 N ATOM 145 CA ALA A1871 -17.763 -34.172 -8.056 1.00 22.25 C ATOM 146 C ALA A1871 -17.774 -33.728 -6.581 1.00 25.02 C ATOM 147 O ALA A1871 -18.840 -33.423 -6.046 1.00 24.15 O ATOM 148 CB ALA A1871 -17.661 -35.694 -8.143 1.00 24.46 C ATOM 149 H ALA A1871 -15.924 -34.185 -9.178 1.00 0.00 H ATOM 150 N LEU A1872 -16.591 -33.669 -5.948 1.00 21.36 N ATOM 151 CA LEU A1872 -16.452 -33.301 -4.534 1.00 21.30 C ATOM 152 C LEU A1872 -16.787 -31.825 -4.306 1.00 22.40 C ATOM 153 O LEU A1872 -17.486 -31.517 -3.339 1.00 21.42 O ATOM 154 CB LEU A1872 -15.055 -33.632 -4.014 1.00 21.83 C ATOM 155 CG LEU A1872 -14.785 -35.137 -3.801 1.00 27.56 C ATOM 156 CD1 LEU A1872 -13.293 -35.420 -3.747 1.00 28.18 C ATOM 157 CD2 LEU A1872 -15.523 -35.689 -2.572 1.00 30.70 C ATOM 158 H LEU A1872 -15.731 -33.895 -6.487 1.00 0.00 H ATOM 159 N CYS A1873 -16.346 -30.924 -5.219 1.00 18.11 N ATOM 160 CA CYS A1873 -16.692 -29.497 -5.144 1.00 17.46 C ATOM 161 C CYS A1873 -18.184 -29.327 -5.338 1.00 20.83 C ATOM 162 O CYS A1873 -18.790 -28.514 -4.645 1.00 20.66 O ATOM 163 CB CYS A1873 -15.911 -28.685 -6.168 1.00 17.02 C ATOM 164 SG CYS A1873 -14.167 -28.509 -5.755 1.00 20.83 S ATOM 165 H CYS A1873 -15.742 -31.254 -5.999 1.00 0.00 H ATOM 166 N SER A1874 -18.775 -30.108 -6.262 1.00 18.82 N ATOM 167 CA SER A1874 -20.220 -30.089 -6.514 1.00 19.22 C ATOM 168 C SER A1874 -20.983 -30.456 -5.225 1.00 24.00 C ATOM 169 O SER A1874 -21.955 -29.779 -4.864 1.00 22.49 O ATOM 170 CB SER A1874 -20.589 -31.040 -7.652 1.00 21.17 C ATOM 171 OG SER A1874 -21.988 -30.970 -7.860 1.00 28.99 O ATOM 172 HG SER A1874 -22.242 -31.582 -8.596 1.00 0.00 H ATOM 173 H SER A1874 -18.181 -30.753 -6.821 1.00 0.00 H ATOM 174 N MET A1875 -20.514 -31.504 -4.531 1.00 21.45 N ATOM 175 CA MET A1875 -21.088 -31.992 -3.282 1.00 21.99 C ATOM 176 C MET A1875 -21.006 -30.915 -2.190 1.00 24.25 C ATOM 177 O MET A1875 -22.006 -30.667 -1.513 1.00 23.10 O ATOM 178 CB MET A1875 -20.364 -33.271 -2.846 1.00 25.27 C ATOM 179 CG MET A1875 -20.889 -33.861 -1.567 1.00 29.94 C ATOM 180 SD MET A1875 -20.200 -35.498 -1.264 1.00 36.28 S ATOM 181 CE MET A1875 -21.187 -36.482 -2.408 1.00 33.59 C ATOM 182 H MET A1875 -19.684 -32.003 -4.910 1.00 0.00 H ATOM 183 N ILE A1876 -19.823 -30.277 -2.033 1.00 20.23 N ATOM 184 CA ILE A1876 -19.601 -29.199 -1.045 1.00 19.77 C ATOM 185 C ILE A1876 -20.555 -28.034 -1.354 1.00 22.23 C ATOM 186 O ILE A1876 -21.168 -27.494 -0.437 1.00 21.72 O ATOM 187 CB ILE A1876 -18.118 -28.728 -1.011 1.00 22.36 C ATOM 188 CG1 ILE A1876 -17.194 -29.836 -0.429 1.00 23.00 C ATOM 189 CG2 ILE A1876 -17.971 -27.402 -0.210 1.00 22.26 C ATOM 190 CD1 ILE A1876 -15.684 -29.602 -0.599 1.00 25.11 C ATOM 191 H ILE A1876 -19.027 -30.560 -2.640 1.00 0.00 H ATOM 192 N LEU A1877 -20.690 -27.676 -2.650 1.00 18.65 N ATOM 193 CA LEU A1877 -21.561 -26.589 -3.070 1.00 18.60 C ATOM 194 C LEU A1877 -23.023 -26.898 -2.738 1.00 21.03 C ATOM 195 O LEU A1877 -23.708 -26.013 -2.234 1.00 19.78 O ATOM 196 CB LEU A1877 -21.399 -26.257 -4.557 1.00 18.41 C ATOM 197 CG LEU A1877 -22.174 -25.027 -5.079 1.00 21.70 C ATOM 198 CD1 LEU A1877 -21.871 -23.766 -4.251 1.00 19.67 C ATOM 199 CD2 LEU A1877 -21.816 -24.773 -6.554 1.00 22.22 C ATOM 200 H LEU A1877 -20.152 -28.196 -3.373 1.00 0.00 H ATOM 201 N THR A1878 -23.478 -28.147 -2.974 1.00 18.68 N ATOM 202 CA THR A1878 -24.847 -28.574 -2.639 1.00 19.10 C ATOM 203 C THR A1878 -25.092 -28.418 -1.125 1.00 21.10 C ATOM 204 O THR A1878 -26.132 -27.891 -0.720 1.00 19.02 O ATOM 205 CB THR A1878 -25.072 -30.019 -3.107 1.00 23.73 C ATOM 206 OG1 THR A1878 -24.992 -30.039 -4.540 1.00 22.79 O ATOM 207 CG2 THR A1878 -26.414 -30.602 -2.626 1.00 21.24 C ATOM 208 HG1 THR A1878 -25.134 -30.963 -4.864 1.00 0.00 H ATOM 209 H THR A1878 -22.834 -28.837 -3.411 1.00 0.00 H ATOM 210 N GLU A1879 -24.116 -28.840 -0.309 1.00 18.27 N ATOM 211 CA GLU A1879 -24.176 -28.725 1.159 1.00 18.10 C ATOM 212 C GLU A1879 -24.289 -27.245 1.584 1.00 20.78 C ATOM 213 O GLU A1879 -25.068 -26.939 2.485 1.00 20.82 O ATOM 214 CB GLU A1879 -22.986 -29.410 1.815 1.00 19.48 C ATOM 215 CG GLU A1879 -23.117 -30.925 1.718 1.00 26.49 C ATOM 216 CD GLU A1879 -21.846 -31.747 1.792 1.00 41.28 C ATOM 217 OE1 GLU A1879 -20.769 -31.174 2.067 1.00 32.64 O ATOM 218 OE2 GLU A1879 -21.919 -32.964 1.509 1.00 45.05 O ATOM 219 H GLU A1879 -23.271 -29.272 -0.735 1.00 0.00 H ATOM 220 N MET A1880 -23.558 -26.350 0.889 1.00 16.35 N ATOM 221 CA MET A1880 -23.592 -24.898 1.103 1.00 15.24 C ATOM 222 C MET A1880 -24.991 -24.359 0.769 1.00 21.01 C ATOM 223 O MET A1880 -25.593 -23.667 1.584 1.00 20.20 O ATOM 224 CB MET A1880 -22.528 -24.192 0.230 1.00 15.98 C ATOM 225 CG MET A1880 -21.076 -24.552 0.586 1.00 18.28 C ATOM 226 SD MET A1880 -20.593 -24.052 2.251 1.00 21.30 S ATOM 227 CE MET A1880 -20.444 -22.301 1.996 1.00 18.11 C ATOM 228 H MET A1880 -22.925 -26.714 0.149 1.00 0.00 H ATOM 229 N GLU A1881 -25.519 -24.739 -0.413 1.00 19.21 N ATOM 230 CA GLU A1881 -26.832 -24.318 -0.949 1.00 20.53 C ATOM 231 C GLU A1881 -28.009 -24.756 -0.066 1.00 23.99 C ATOM 232 O GLU A1881 -29.024 -24.073 -0.051 1.00 24.75 O ATOM 233 CB GLU A1881 -27.053 -24.888 -2.373 1.00 21.88 C ATOM 234 CG GLU A1881 -26.189 -24.251 -3.453 1.00 26.36 C ATOM 235 CD GLU A1881 -26.091 -25.025 -4.759 1.00 34.09 C ATOM 236 OE1 GLU A1881 -26.308 -26.258 -4.767 1.00 29.80 O ATOM 237 OE2 GLU A1881 -25.696 -24.404 -5.767 1.00 37.55 O ATOM 238 H GLU A1881 -24.953 -25.385 -0.999 1.00 0.00 H ATOM 239 N THR A1882 -27.891 -25.899 0.640 1.00 20.79 N ATOM 240 CA THR A1882 -28.997 -26.421 1.436 1.00 21.14 C ATOM 241 C THR A1882 -28.876 -26.020 2.921 1.00 25.51 C ATOM 242 O THR A1882 -29.790 -26.302 3.684 1.00 26.30 O ATOM 243 CB THR A1882 -29.147 -27.942 1.242 1.00 27.84 C ATOM 244 OG1 THR A1882 -27.945 -28.576 1.663 1.00 26.02 O ATOM 245 CG2 THR A1882 -29.442 -28.312 -0.213 1.00 26.60 C ATOM 246 HG1 THR A1882 -28.030 -29.555 1.543 1.00 0.00 H ATOM 247 H THR A1882 -26.991 -26.420 0.617 1.00 0.00 H ATOM 248 N HIS A1883 -27.801 -25.299 3.312 1.00 20.22 N ATOM 249 CA HIS A1883 -27.654 -24.816 4.691 1.00 19.72 C ATOM 250 C HIS A1883 -28.754 -23.774 4.919 1.00 22.57 C ATOM 251 O HIS A1883 -29.016 -22.970 4.023 1.00 20.77 O ATOM 252 CB HIS A1883 -26.245 -24.203 4.878 1.00 19.03 C ATOM 253 CG HIS A1883 -25.881 -23.853 6.296 1.00 22.33 C ATOM 254 ND1 HIS A1883 -26.589 -22.912 7.015 1.00 24.12 N ATOM 255 CD2 HIS A1883 -24.824 -24.258 7.038 1.00 23.71 C ATOM 256 CE1 HIS A1883 -25.976 -22.810 8.186 1.00 23.90 C ATOM 257 NE2 HIS A1883 -24.905 -23.598 8.241 1.00 24.05 N ATOM 258 H HIS A1883 -27.058 -25.081 2.617 1.00 0.00 H ATOM 259 N GLU A1884 -29.386 -23.762 6.087 1.00 20.82 N ATOM 260 CA GLU A1884 -30.462 -22.797 6.320 1.00 21.58 C ATOM 261 C GLU A1884 -29.992 -21.326 6.310 1.00 23.62 C ATOM 262 O GLU A1884 -30.824 -20.456 6.089 1.00 24.56 O ATOM 263 CB GLU A1884 -31.267 -23.106 7.583 1.00 24.46 C ATOM 264 CG GLU A1884 -30.552 -22.977 8.910 1.00 30.88 C ATOM 265 CD GLU A1884 -31.428 -23.415 10.074 1.00 55.79 C ATOM 266 OE1 GLU A1884 -32.576 -23.860 9.839 1.00 54.42 O ATOM 267 OE2 GLU A1884 -30.957 -23.330 11.228 1.00 41.61 O ATOM 268 H GLU A1884 -29.118 -24.435 6.833 1.00 0.00 H ATOM 269 N ASP A1885 -28.685 -21.052 6.473 1.00 19.75 N ATOM 270 CA ASP A1885 -28.151 -19.681 6.413 1.00 18.86 C ATOM 271 C ASP A1885 -27.611 -19.309 5.006 1.00 22.19 C ATOM 272 O ASP A1885 -26.947 -18.280 4.851 1.00 20.69 O ATOM 273 CB ASP A1885 -27.056 -19.482 7.468 1.00 19.93 C ATOM 274 CG ASP A1885 -27.536 -19.615 8.908 1.00 23.40 C ATOM 275 OD1 ASP A1885 -28.782 -19.571 9.140 1.00 22.51 O ATOM 276 OD2 ASP A1885 -26.683 -19.750 9.794 1.00 19.87 O ATOM 277 H ASP A1885 -28.027 -21.838 6.648 1.00 0.00 H ATOM 278 N ALA A1886 -27.911 -20.124 3.986 1.00 19.29 N ATOM 279 CA ALA A1886 -27.448 -19.865 2.618 1.00 19.00 C ATOM 280 C ALA A1886 -28.220 -18.766 1.915 1.00 20.26 C ATOM 281 O ALA A1886 -27.730 -18.263 0.898 1.00 18.42 O ATOM 282 CB ALA A1886 -27.562 -21.120 1.782 1.00 19.46 C ATOM 283 H ALA A1886 -28.491 -20.968 4.170 1.00 0.00 H ATOM 284 N TRP A1887 -29.472 -18.479 2.374 1.00 17.93 N ATOM 285 CA TRP A1887 -30.399 -17.561 1.703 1.00 19.20 C ATOM 286 C TRP A1887 -29.771 -16.214 1.230 1.00 20.48 C ATOM 287 O TRP A1887 -30.140 -15.810 0.137 1.00 20.27 O ATOM 288 CB TRP A1887 -31.680 -17.306 2.515 1.00 19.26 C ATOM 289 CG TRP A1887 -31.464 -16.694 3.861 1.00 19.86 C ATOM 290 CD1 TRP A1887 -31.269 -17.357 5.039 1.00 22.50 C ATOM 291 CD2 TRP A1887 -31.407 -15.293 4.171 1.00 20.09 C ATOM 292 NE1 TRP A1887 -31.057 -16.458 6.056 1.00 22.33 N ATOM 293 CE2 TRP A1887 -31.147 -15.183 5.557 1.00 24.13 C ATOM 294 CE3 TRP A1887 -31.526 -14.115 3.406 1.00 21.57 C ATOM 295 CZ2 TRP A1887 -31.009 -13.944 6.200 1.00 24.33 C ATOM 296 CZ3 TRP A1887 -31.395 -12.884 4.045 1.00 23.45 C ATOM 297 CH2 TRP A1887 -31.163 -12.807 5.429 1.00 24.60 C ATOM 298 HE1 TRP A1887 -30.860 -16.705 7.047 1.00 0.00 H ATOM 299 H TRP A1887 -29.788 -18.938 3.252 1.00 0.00 H ATOM 300 N PRO A1888 -28.834 -15.514 1.937 1.00 16.87 N ATOM 301 CA PRO A1888 -28.307 -14.257 1.370 1.00 16.75 C ATOM 302 C PRO A1888 -27.382 -14.456 0.163 1.00 19.82 C ATOM 303 O PRO A1888 -27.067 -13.472 -0.504 1.00 18.57 O ATOM 304 CB PRO A1888 -27.499 -13.644 2.532 1.00 18.44 C ATOM 305 CG PRO A1888 -27.912 -14.405 3.784 1.00 22.75 C ATOM 306 CD PRO A1888 -28.242 -15.785 3.268 1.00 17.78 C ATOM 307 N PHE A1889 -26.920 -15.704 -0.082 1.00 16.73 N ATOM 308 CA PHE A1889 -25.886 -16.042 -1.064 1.00 15.69 C ATOM 309 C PHE A1889 -26.341 -16.897 -2.241 1.00 20.39 C ATOM 310 O PHE A1889 -25.495 -17.241 -3.075 1.00 19.98 O ATOM 311 CB PHE A1889 -24.755 -16.799 -0.319 1.00 16.50 C ATOM 312 CG PHE A1889 -24.371 -16.147 0.995 1.00 16.73 C ATOM 313 CD1 PHE A1889 -23.785 -14.882 1.018 1.00 19.27 C ATOM 314 CD2 PHE A1889 -24.664 -16.766 2.209 1.00 16.49 C ATOM 315 CE1 PHE A1889 -23.490 -14.245 2.230 1.00 20.95 C ATOM 316 CE2 PHE A1889 -24.334 -16.149 3.420 1.00 19.26 C ATOM 317 CZ PHE A1889 -23.770 -14.883 3.425 1.00 19.19 C ATOM 318 H PHE A1889 -27.331 -16.484 0.470 1.00 0.00 H ATOM 319 N LEU A1890 -27.641 -17.257 -2.312 1.00 18.82 N ATOM 320 CA LEU A1890 -28.157 -18.176 -3.322 1.00 18.75 C ATOM 321 C LEU A1890 -28.160 -17.584 -4.710 1.00 22.48 C ATOM 322 O LEU A1890 -27.865 -18.303 -5.659 1.00 21.03 O ATOM 323 CB LEU A1890 -29.577 -18.690 -2.977 1.00 19.35 C ATOM 324 CG LEU A1890 -29.650 -19.614 -1.744 1.00 23.59 C ATOM 325 CD1 LEU A1890 -31.086 -19.923 -1.367 1.00 24.05 C ATOM 326 CD2 LEU A1890 -28.820 -20.911 -1.950 1.00 26.01 C ATOM 327 H LEU A1890 -28.304 -16.861 -1.615 1.00 0.00 H ATOM 328 N LEU A1891 -28.545 -16.308 -4.830 1.00 18.30 N ATOM 329 CA LEU A1891 -28.657 -15.621 -6.105 1.00 19.43 C ATOM 330 C LEU A1891 -27.811 -14.369 -6.112 1.00 22.14 C ATOM 331 O LEU A1891 -27.509 -13.858 -5.034 1.00 19.66 O ATOM 332 CB LEU A1891 -30.131 -15.246 -6.372 1.00 20.26 C ATOM 333 CG LEU A1891 -31.123 -16.402 -6.604 1.00 25.62 C ATOM 334 CD1 LEU A1891 -32.563 -15.850 -6.763 1.00 26.77 C ATOM 335 CD2 LEU A1891 -30.741 -17.232 -7.851 1.00 26.70 C ATOM 336 H LEU A1891 -28.776 -15.780 -3.964 1.00 0.00 H ATOM 337 N PRO A1892 -27.443 -13.823 -7.299 1.00 19.88 N ATOM 338 CA PRO A1892 -26.694 -12.551 -7.293 1.00 19.55 C ATOM 339 C PRO A1892 -27.468 -11.459 -6.552 1.00 22.75 C ATOM 340 O PRO A1892 -28.708 -11.396 -6.634 1.00 21.39 O ATOM 341 CB PRO A1892 -26.569 -12.184 -8.785 1.00 21.83 C ATOM 342 CG PRO A1892 -26.907 -13.402 -9.546 1.00 25.54 C ATOM 343 CD PRO A1892 -27.736 -14.289 -8.676 1.00 20.58 C ATOM 344 N VAL A1893 -26.746 -10.601 -5.833 1.00 20.13 N ATOM 345 CA VAL A1893 -27.364 -9.424 -5.192 1.00 21.32 C ATOM 346 C VAL A1893 -27.937 -8.530 -6.318 1.00 26.85 C ATOM 347 O VAL A1893 -27.272 -8.331 -7.338 1.00 26.30 O ATOM 348 CB VAL A1893 -26.362 -8.675 -4.272 1.00 24.58 C ATOM 349 CG1 VAL A1893 -26.938 -7.345 -3.768 1.00 24.96 C ATOM 350 CG2 VAL A1893 -25.929 -9.568 -3.105 1.00 23.70 C ATOM 351 H VAL A1893 -25.725 -10.764 -5.721 1.00 0.00 H ATOM 352 N ASN A1894 -29.192 -8.072 -6.170 1.00 25.66 N ATOM 353 CA ASN A1894 -29.848 -7.248 -7.185 1.00 27.20 C ATOM 354 C ASN A1894 -29.226 -5.837 -7.209 1.00 31.28 C ATOM 355 O ASN A1894 -29.491 -5.019 -6.328 1.00 30.77 O ATOM 356 CB ASN A1894 -31.369 -7.194 -6.969 1.00 31.02 C ATOM 357 CG ASN A1894 -32.129 -6.596 -8.137 1.00 44.31 C ATOM 358 OD1 ASN A1894 -31.697 -5.625 -8.777 1.00 33.80 O ATOM 359 ND2 ASN A1894 -33.286 -7.163 -8.441 1.00 37.14 N ATOM 360 HD22 ASN A1894 -33.627 -7.976 -7.890 1.00 0.00 H ATOM 361 HD21 ASN A1894 -33.854 -6.795 -9.231 1.00 0.00 H ATOM 362 H ASN A1894 -29.715 -8.312 -5.304 1.00 0.00 H ATOM 363 N LEU A1895 -28.412 -5.575 -8.249 1.00 25.79 N ATOM 364 CA LEU A1895 -27.636 -4.349 -8.455 1.00 26.19 C ATOM 365 C LEU A1895 -28.508 -3.126 -8.748 1.00 33.63 C ATOM 366 O LEU A1895 -28.016 -1.994 -8.649 1.00 33.29 O ATOM 367 CB LEU A1895 -26.601 -4.549 -9.586 1.00 25.90 C ATOM 368 CG LEU A1895 -25.517 -5.640 -9.372 1.00 30.67 C ATOM 369 CD1 LEU A1895 -24.515 -5.645 -10.534 1.00 31.05 C ATOM 370 CD2 LEU A1895 -24.764 -5.463 -8.033 1.00 30.35 C ATOM 371 H LEU A1895 -28.326 -6.314 -8.976 1.00 0.00 H ATOM 372 N LYS A1896 -29.794 -3.341 -9.086 1.00 32.65 N ATOM 373 CA LYS A1896 -30.741 -2.251 -9.351 1.00 34.48 C ATOM 374 C LYS A1896 -31.501 -1.869 -8.077 1.00 39.14 C ATOM 375 O LYS A1896 -31.845 -0.701 -7.909 1.00 40.06 O ATOM 376 CB LYS A1896 -31.740 -2.636 -10.467 1.00 37.80 C ATOM 377 CG LYS A1896 -31.103 -2.767 -11.847 1.00 57.13 C ATOM 378 CD LYS A1896 -32.093 -3.265 -12.891 1.00 69.64 C ATOM 379 H LYS A1896 -30.131 -4.322 -9.163 1.00 0.00 H ATOM 380 N LEU A1897 -31.766 -2.848 -7.192 1.00 35.44 N ATOM 381 CA LEU A1897 -32.535 -2.638 -5.963 1.00 35.69 C ATOM 382 C LEU A1897 -31.667 -2.411 -4.712 1.00 37.46 C ATOM 383 O LEU A1897 -32.206 -1.977 -3.697 1.00 39.07 O ATOM 384 CB LEU A1897 -33.502 -3.808 -5.704 1.00 35.83 C ATOM 385 CG LEU A1897 -34.577 -4.116 -6.772 1.00 41.97 C ATOM 386 CD1 LEU A1897 -35.354 -5.367 -6.405 1.00 41.71 C ATOM 387 CD2 LEU A1897 -35.543 -2.941 -6.979 1.00 45.60 C ATOM 388 H LEU A1897 -31.406 -3.803 -7.391 1.00 0.00 H ATOM 389 N VAL A1898 -30.352 -2.691 -4.766 1.00 30.20 N ATOM 390 CA VAL A1898 -29.495 -2.512 -3.588 1.00 28.12 C ATOM 391 C VAL A1898 -28.521 -1.339 -3.842 1.00 31.73 C ATOM 392 O VAL A1898 -27.455 -1.538 -4.446 1.00 29.40 O ATOM 393 CB VAL A1898 -28.763 -3.819 -3.161 1.00 30.24 C ATOM 394 CG1 VAL A1898 -27.905 -3.589 -1.908 1.00 29.53 C ATOM 395 CG2 VAL A1898 -29.760 -4.959 -2.928 1.00 29.16 C ATOM 396 H VAL A1898 -29.937 -3.039 -5.654 1.00 0.00 H ATOM 397 N PRO A1899 -28.872 -0.109 -3.366 1.00 29.84 N ATOM 398 CA PRO A1899 -27.963 1.043 -3.547 1.00 29.20 C ATOM 399 C PRO A1899 -26.558 0.784 -3.004 1.00 29.30 C ATOM 400 O PRO A1899 -26.388 0.072 -2.009 1.00 27.73 O ATOM 401 CB PRO A1899 -28.648 2.166 -2.748 1.00 32.04 C ATOM 402 CG PRO A1899 -30.089 1.803 -2.753 1.00 37.00 C ATOM 403 CD PRO A1899 -30.105 0.295 -2.653 1.00 31.98 C ATOM 404 N GLY A1900 -25.565 1.315 -3.710 1.00 24.17 N ATOM 405 CA GLY A1900 -24.164 1.167 -3.341 1.00 23.01 C ATOM 406 C GLY A1900 -23.494 -0.149 -3.688 1.00 25.67 C ATOM 407 O GLY A1900 -22.280 -0.165 -3.871 1.00 25.44 O ATOM 408 H GLY A1900 -25.799 1.861 -4.564 1.00 0.00 H ATOM 409 N TYR A1901 -24.249 -1.257 -3.795 1.00 21.92 N ATOM 410 CA TYR A1901 -23.646 -2.575 -4.030 1.00 21.34 C ATOM 411 C TYR A1901 -22.805 -2.644 -5.323 1.00 24.10 C ATOM 412 O TYR A1901 -21.647 -3.063 -5.260 1.00 22.72 O ATOM 413 CB TYR A1901 -24.681 -3.712 -3.998 1.00 21.74 C ATOM 414 CG TYR A1901 -24.042 -5.035 -3.627 1.00 21.77 C ATOM 415 CD1 TYR A1901 -23.896 -5.414 -2.291 1.00 23.20 C ATOM 416 CD2 TYR A1901 -23.553 -5.896 -4.608 1.00 21.96 C ATOM 417 CE1 TYR A1901 -23.318 -6.638 -1.944 1.00 22.16 C ATOM 418 CE2 TYR A1901 -22.942 -7.107 -4.272 1.00 22.31 C ATOM 419 CZ TYR A1901 -22.815 -7.466 -2.937 1.00 26.56 C ATOM 420 OH TYR A1901 -22.198 -8.641 -2.603 1.00 24.57 O ATOM 421 HH TYR A1901 -22.193 -8.741 -1.618 1.00 0.00 H ATOM 422 H TYR A1901 -25.282 -1.178 -3.709 1.00 0.00 H ATOM 423 N LYS A1902 -23.352 -2.188 -6.453 1.00 22.47 N ATOM 424 CA LYS A1902 -22.640 -2.203 -7.735 1.00 21.84 C ATOM 425 C LYS A1902 -21.329 -1.404 -7.685 1.00 25.27 C ATOM 426 O LYS A1902 -20.321 -1.863 -8.212 1.00 24.32 O ATOM 427 CB LYS A1902 -23.528 -1.664 -8.864 1.00 23.97 C ATOM 428 CG LYS A1902 -23.017 -2.121 -10.232 1.00 30.68 C ATOM 429 CD LYS A1902 -23.757 -1.513 -11.373 1.00 34.05 C ATOM 430 CE LYS A1902 -23.083 -1.909 -12.666 1.00 36.13 C ATOM 431 NZ LYS A1902 -23.739 -1.277 -13.833 1.00 38.89 N ATOM 432 HZ1 LYS A1902 -24.734 -1.576 -13.874 1.00 0.00 H ATOM 433 HZ2 LYS A1902 -23.690 -0.242 -13.738 1.00 0.00 H ATOM 434 HZ3 LYS A1902 -23.252 -1.570 -14.704 1.00 0.00 H ATOM 435 H LYS A1902 -24.320 -1.808 -6.423 1.00 0.00 H ATOM 436 N LYS A1903 -21.341 -0.221 -7.059 1.00 23.79 N ATOM 437 CA LYS A1903 -20.151 0.615 -7.005 1.00 23.02 C ATOM 438 C LYS A1903 -19.098 0.055 -6.045 1.00 26.59 C ATOM 439 O LYS A1903 -17.915 0.028 -6.391 1.00 25.94 O ATOM 440 CB LYS A1903 -20.507 2.068 -6.623 1.00 24.52 C ATOM 441 CG LYS A1903 -19.321 3.051 -6.639 1.00 26.74 C ATOM 442 CD LYS A1903 -18.609 3.145 -7.997 1.00 30.19 C ATOM 443 CE LYS A1903 -17.439 4.103 -7.951 1.00 28.23 C ATOM 444 NZ LYS A1903 -17.873 5.507 -8.117 1.00 28.78 N ATOM 445 HZ1 LYS A1903 -18.349 5.615 -9.035 1.00 0.00 H ATOM 446 HZ2 LYS A1903 -18.532 5.758 -7.352 1.00 0.00 H ATOM 447 HZ3 LYS A1903 -17.043 6.132 -8.080 1.00 0.00 H ATOM 448 H LYS A1903 -22.216 0.107 -6.603 1.00 0.00 H ATOM 449 N VAL A1904 -19.529 -0.385 -4.854 1.00 24.29 N ATOM 450 CA VAL A1904 -18.642 -0.852 -3.790 1.00 23.67 C ATOM 451 C VAL A1904 -18.042 -2.229 -4.094 1.00 24.90 C ATOM 452 O VAL A1904 -16.837 -2.415 -3.914 1.00 23.90 O ATOM 453 CB VAL A1904 -19.380 -0.865 -2.421 1.00 27.20 C ATOM 454 CG1 VAL A1904 -18.529 -1.519 -1.320 1.00 26.37 C ATOM 455 CG2 VAL A1904 -19.808 0.551 -2.011 1.00 26.93 C ATOM 456 H VAL A1904 -20.554 -0.395 -4.677 1.00 0.00 H ATOM 457 N ILE A1905 -18.882 -3.200 -4.487 1.00 20.29 N ATOM 458 CA ILE A1905 -18.456 -4.592 -4.679 1.00 20.73 C ATOM 459 C ILE A1905 -18.021 -4.802 -6.126 1.00 24.20 C ATOM 460 O ILE A1905 -18.839 -4.989 -7.028 1.00 23.16 O ATOM 461 CB ILE A1905 -19.585 -5.558 -4.203 1.00 22.93 C ATOM 462 CG1 ILE A1905 -20.012 -5.244 -2.728 1.00 23.55 C ATOM 463 CG2 ILE A1905 -19.222 -7.060 -4.392 1.00 22.39 C ATOM 464 CD1 ILE A1905 -18.895 -5.474 -1.632 1.00 21.78 C ATOM 465 H ILE A1905 -19.877 -2.956 -4.663 1.00 0.00 H ATOM 466 N LYS A1906 -16.707 -4.769 -6.327 1.00 22.05 N ATOM 467 CA LYS A1906 -16.078 -4.852 -7.643 1.00 22.96 C ATOM 468 C LYS A1906 -16.291 -6.193 -8.318 1.00 26.11 C ATOM 469 O LYS A1906 -16.481 -6.216 -9.534 1.00 25.88 O ATOM 470 CB LYS A1906 -14.566 -4.549 -7.557 1.00 25.96 C ATOM 471 CG LYS A1906 -14.237 -3.152 -6.991 1.00 36.62 C ATOM 472 CD LYS A1906 -14.880 -2.005 -7.770 1.00 41.24 C ATOM 473 CE LYS A1906 -14.705 -0.677 -7.067 1.00 47.85 C ATOM 474 NZ LYS A1906 -15.419 0.410 -7.789 1.00 52.03 N ATOM 475 HZ1 LYS A1906 -15.039 0.491 -8.754 1.00 0.00 H ATOM 476 HZ2 LYS A1906 -16.434 0.187 -7.832 1.00 0.00 H ATOM 477 HZ3 LYS A1906 -15.281 1.309 -7.284 1.00 0.00 H ATOM 478 H LYS A1906 -16.089 -4.678 -5.496 1.00 0.00 H ATOM 479 N LYS A1907 -16.274 -7.298 -7.545 1.00 21.95 N ATOM 480 CA LYS A1907 -16.440 -8.635 -8.102 1.00 21.56 C ATOM 481 C LYS A1907 -17.560 -9.387 -7.379 1.00 23.30 C ATOM 482 O LYS A1907 -17.292 -10.233 -6.516 1.00 21.36 O ATOM 483 CB LYS A1907 -15.122 -9.437 -8.067 1.00 25.33 C ATOM 484 CG LYS A1907 -13.962 -8.833 -8.860 1.00 41.62 C ATOM 485 CD LYS A1907 -12.795 -9.816 -9.007 1.00 58.61 C ATOM 486 CE LYS A1907 -11.781 -9.751 -7.886 1.00 74.42 C ATOM 487 NZ LYS A1907 -11.397 -11.105 -7.393 1.00 83.48 N ATOM 488 HZ1 LYS A1907 -12.242 -11.595 -7.036 1.00 0.00 H ATOM 489 HZ2 LYS A1907 -10.981 -11.652 -8.174 1.00 0.00 H ATOM 490 HZ3 LYS A1907 -10.701 -11.009 -6.626 1.00 0.00 H ATOM 491 H LYS A1907 -16.138 -7.193 -6.519 1.00 0.00 H ATOM 492 N PRO A1908 -18.838 -9.093 -7.719 1.00 20.30 N ATOM 493 CA PRO A1908 -19.950 -9.829 -7.080 1.00 19.63 C ATOM 494 C PRO A1908 -19.843 -11.327 -7.350 1.00 23.38 C ATOM 495 O PRO A1908 -19.332 -11.744 -8.403 1.00 20.64 O ATOM 496 CB PRO A1908 -21.202 -9.238 -7.743 1.00 21.25 C ATOM 497 CG PRO A1908 -20.761 -7.902 -8.272 1.00 25.39 C ATOM 498 CD PRO A1908 -19.337 -8.094 -8.691 1.00 21.31 C ATOM 499 N MET A1909 -20.263 -12.138 -6.373 1.00 17.34 N ATOM 500 CA MET A1909 -20.237 -13.613 -6.507 1.00 16.31 C ATOM 501 C MET A1909 -21.338 -14.206 -5.628 1.00 20.10 C ATOM 502 O MET A1909 -21.676 -13.650 -4.582 1.00 20.08 O ATOM 503 CB MET A1909 -18.842 -14.185 -6.150 1.00 17.19 C ATOM 504 CG MET A1909 -18.613 -15.650 -6.543 1.00 19.03 C ATOM 505 SD MET A1909 -19.154 -16.129 -8.225 1.00 20.86 S ATOM 506 CE MET A1909 -18.004 -15.132 -9.250 1.00 18.86 C ATOM 507 H MET A1909 -20.620 -11.719 -5.490 1.00 0.00 H ATOM 508 N ASP A1910 -21.940 -15.296 -6.086 1.00 15.95 N ATOM 509 CA ASP A1910 -23.007 -15.967 -5.351 1.00 14.39 C ATOM 510 C ASP A1910 -22.972 -17.442 -5.697 1.00 16.66 C ATOM 511 O ASP A1910 -22.354 -17.816 -6.699 1.00 17.83 O ATOM 512 CB ASP A1910 -24.376 -15.343 -5.692 1.00 15.85 C ATOM 513 CG ASP A1910 -24.787 -15.671 -7.112 1.00 21.13 C ATOM 514 OD1 ASP A1910 -24.274 -15.016 -8.046 1.00 20.74 O ATOM 515 OD2 ASP A1910 -25.593 -16.596 -7.288 1.00 22.51 O ATOM 516 H ASP A1910 -21.640 -15.686 -7.002 1.00 0.00 H ATOM 517 N PHE A1911 -23.700 -18.262 -4.931 1.00 14.16 N ATOM 518 CA PHE A1911 -23.714 -19.720 -5.115 1.00 14.52 C ATOM 519 C PHE A1911 -24.262 -20.150 -6.491 1.00 19.15 C ATOM 520 O PHE A1911 -23.747 -21.134 -7.032 1.00 18.57 O ATOM 521 CB PHE A1911 -24.477 -20.419 -3.984 1.00 16.42 C ATOM 522 CG PHE A1911 -23.920 -20.263 -2.576 1.00 18.13 C ATOM 523 CD1 PHE A1911 -22.622 -19.789 -2.363 1.00 20.06 C ATOM 524 CD2 PHE A1911 -24.666 -20.661 -1.467 1.00 19.10 C ATOM 525 CE1 PHE A1911 -22.105 -19.676 -1.061 1.00 20.72 C ATOM 526 CE2 PHE A1911 -24.149 -20.542 -0.174 1.00 20.45 C ATOM 527 CZ PHE A1911 -22.873 -20.050 0.017 1.00 19.09 C ATOM 528 H PHE A1911 -24.281 -17.850 -4.173 1.00 0.00 H ATOM 529 N SER A1912 -25.285 -19.449 -7.055 1.00 17.41 N ATOM 530 CA SER A1912 -25.816 -19.861 -8.368 1.00 18.64 C ATOM 531 C SER A1912 -24.774 -19.630 -9.481 1.00 21.94 C ATOM 532 O SER A1912 -24.655 -20.470 -10.382 1.00 20.95 O ATOM 533 CB SER A1912 -27.145 -19.183 -8.702 1.00 21.46 C ATOM 534 OG SER A1912 -26.997 -17.810 -9.027 1.00 26.65 O ATOM 535 HG SER A1912 -26.598 -17.331 -8.258 1.00 0.00 H ATOM 536 H SER A1912 -25.690 -18.627 -6.562 1.00 0.00 H ATOM 537 N THR A1913 -23.977 -18.542 -9.370 1.00 18.46 N ATOM 538 CA THR A1913 -22.937 -18.222 -10.352 1.00 18.58 C ATOM 539 C THR A1913 -21.809 -19.254 -10.221 1.00 20.30 C ATOM 540 O THR A1913 -21.299 -19.738 -11.231 1.00 19.06 O ATOM 541 CB THR A1913 -22.465 -16.767 -10.199 1.00 21.96 C ATOM 542 OG1 THR A1913 -23.584 -15.916 -10.424 1.00 19.62 O ATOM 543 CG2 THR A1913 -21.338 -16.398 -11.169 1.00 21.65 C ATOM 544 HG1 THR A1913 -24.290 -16.119 -9.760 1.00 0.00 H ATOM 545 H THR A1913 -24.108 -17.908 -8.556 1.00 0.00 H ATOM 546 N ILE A1914 -21.461 -19.631 -8.990 1.00 15.73 N ATOM 547 CA ILE A1914 -20.425 -20.652 -8.777 1.00 14.53 C ATOM 548 C ILE A1914 -20.888 -21.978 -9.390 1.00 18.21 C ATOM 549 O ILE A1914 -20.085 -22.655 -10.041 1.00 17.31 O ATOM 550 CB ILE A1914 -20.070 -20.793 -7.274 1.00 16.20 C ATOM 551 CG1 ILE A1914 -19.469 -19.467 -6.731 1.00 15.74 C ATOM 552 CG2 ILE A1914 -19.119 -21.998 -7.052 1.00 17.33 C ATOM 553 CD1 ILE A1914 -19.120 -19.501 -5.210 1.00 15.75 C ATOM 554 H ILE A1914 -21.929 -19.197 -8.169 1.00 0.00 H ATOM 555 N ARG A1915 -22.181 -22.348 -9.166 1.00 16.40 N ATOM 556 CA ARG A1915 -22.773 -23.568 -9.711 1.00 16.66 C ATOM 557 C ARG A1915 -22.702 -23.553 -11.240 1.00 20.26 C ATOM 558 O ARG A1915 -22.296 -24.550 -11.836 1.00 20.09 O ATOM 559 CB ARG A1915 -24.233 -23.746 -9.232 1.00 18.21 C ATOM 560 CG ARG A1915 -24.987 -24.931 -9.893 1.00 21.90 C ATOM 561 CD ARG A1915 -24.435 -26.277 -9.468 1.00 21.35 C ATOM 562 NE ARG A1915 -24.697 -26.574 -8.049 1.00 20.41 N ATOM 563 CZ ARG A1915 -24.159 -27.601 -7.398 1.00 30.71 C ATOM 564 NH1 ARG A1915 -23.319 -28.423 -8.016 1.00 21.39 N ATOM 565 NH2 ARG A1915 -24.457 -27.816 -6.126 1.00 24.54 N ATOM 566 HE ARG A1915 -25.339 -25.945 -7.527 1.00 0.00 H ATOM 567 HH12 ARG A1915 -22.902 -29.224 -7.501 1.00 0.00 H ATOM 568 HH11 ARG A1915 -23.078 -28.266 -9.015 1.00 0.00 H ATOM 569 HH22 ARG A1915 -24.033 -28.621 -5.622 1.00 0.00 H ATOM 570 HH21 ARG A1915 -25.115 -27.180 -5.631 1.00 0.00 H ATOM 571 H ARG A1915 -22.776 -21.731 -8.577 1.00 0.00 H ATOM 572 N GLU A1916 -23.073 -22.426 -11.859 1.00 18.60 N ATOM 573 CA GLU A1916 -23.039 -22.281 -13.311 1.00 19.30 C ATOM 574 C GLU A1916 -21.613 -22.458 -13.824 1.00 22.04 C ATOM 575 O GLU A1916 -21.414 -23.209 -14.776 1.00 21.60 O ATOM 576 CB GLU A1916 -23.635 -20.939 -13.777 1.00 20.92 C ATOM 577 CG GLU A1916 -23.739 -20.831 -15.304 1.00 31.80 C ATOM 578 CD GLU A1916 -24.537 -21.904 -16.041 1.00 58.03 C ATOM 579 OE1 GLU A1916 -25.573 -22.366 -15.505 1.00 44.50 O ATOM 580 OE2 GLU A1916 -24.128 -22.276 -17.166 1.00 54.04 O ATOM 581 H GLU A1916 -23.398 -21.623 -11.284 1.00 0.00 H ATOM 582 N LYS A1917 -20.636 -21.809 -13.167 1.00 17.30 N ATOM 583 CA LYS A1917 -19.220 -21.893 -13.542 1.00 17.39 C ATOM 584 C LYS A1917 -18.683 -23.319 -13.383 1.00 20.77 C ATOM 585 O LYS A1917 -18.038 -23.844 -14.301 1.00 19.84 O ATOM 586 CB LYS A1917 -18.386 -20.919 -12.710 1.00 17.37 C ATOM 587 CG LYS A1917 -18.563 -19.451 -13.140 1.00 19.64 C ATOM 588 CD LYS A1917 -17.794 -18.496 -12.232 1.00 19.58 C ATOM 589 CE LYS A1917 -16.313 -18.482 -12.570 1.00 24.98 C ATOM 590 NZ LYS A1917 -15.595 -17.370 -11.888 1.00 24.04 N ATOM 591 HZ1 LYS A1917 -16.005 -16.461 -12.184 1.00 0.00 H ATOM 592 HZ2 LYS A1917 -15.692 -17.476 -10.858 1.00 0.00 H ATOM 593 HZ3 LYS A1917 -14.588 -17.399 -12.147 1.00 0.00 H ATOM 594 H LYS A1917 -20.897 -21.218 -12.352 1.00 0.00 H ATOM 595 N LEU A1918 -18.977 -23.955 -12.243 1.00 18.02 N ATOM 596 CA LEU A1918 -18.520 -25.320 -11.975 1.00 18.49 C ATOM 597 C LEU A1918 -19.062 -26.324 -13.015 1.00 22.91 C ATOM 598 O LEU A1918 -18.270 -27.072 -13.592 1.00 23.48 O ATOM 599 CB LEU A1918 -18.921 -25.751 -10.543 1.00 18.48 C ATOM 600 CG LEU A1918 -18.303 -27.066 -10.022 1.00 22.22 C ATOM 601 CD1 LEU A1918 -16.803 -26.910 -9.778 1.00 22.21 C ATOM 602 CD2 LEU A1918 -18.973 -27.483 -8.737 1.00 24.06 C ATOM 603 H LEU A1918 -19.548 -23.465 -11.525 1.00 0.00 H ATOM 604 N SER A1919 -20.384 -26.289 -13.280 1.00 19.25 N ATOM 605 CA SER A1919 -21.087 -27.180 -14.207 1.00 19.40 C ATOM 606 C SER A1919 -20.706 -26.959 -15.680 1.00 22.18 C ATOM 607 O SER A1919 -20.976 -27.831 -16.503 1.00 22.17 O ATOM 608 CB SER A1919 -22.596 -27.012 -14.057 1.00 21.33 C ATOM 609 OG SER A1919 -23.042 -27.450 -12.787 1.00 23.67 O ATOM 610 HG SER A1919 -24.022 -27.328 -12.723 1.00 0.00 H ATOM 611 H SER A1919 -20.951 -25.571 -12.786 1.00 0.00 H ATOM 612 N SER A1920 -20.091 -25.814 -16.012 1.00 18.78 N ATOM 613 CA SER A1920 -19.723 -25.502 -17.400 1.00 17.91 C ATOM 614 C SER A1920 -18.181 -25.502 -17.623 1.00 20.64 C ATOM 615 O SER A1920 -17.705 -24.963 -18.622 1.00 19.83 O ATOM 616 CB SER A1920 -20.353 -24.180 -17.832 1.00 20.01 C ATOM 617 OG SER A1920 -19.884 -23.087 -17.062 1.00 21.62 O ATOM 618 HG SER A1920 -20.106 -23.237 -16.109 1.00 0.00 H ATOM 619 H SER A1920 -19.868 -25.126 -15.264 1.00 0.00 H ATOM 620 N GLY A1921 -17.440 -26.127 -16.704 1.00 19.43 N ATOM 621 CA GLY A1921 -15.984 -26.281 -16.795 1.00 20.04 C ATOM 622 C GLY A1921 -15.202 -24.985 -16.712 1.00 22.56 C ATOM 623 O GLY A1921 -14.143 -24.866 -17.329 1.00 22.05 O ATOM 624 H GLY A1921 -17.924 -26.528 -15.875 1.00 0.00 H ATOM 625 N GLN A1922 -15.713 -24.011 -15.944 1.00 18.02 N ATOM 626 CA GLN A1922 -15.052 -22.712 -15.838 1.00 18.26 C ATOM 627 C GLN A1922 -14.060 -22.632 -14.658 1.00 21.91 C ATOM 628 O GLN A1922 -13.383 -21.604 -14.514 1.00 22.88 O ATOM 629 CB GLN A1922 -16.067 -21.560 -15.803 1.00 18.46 C ATOM 630 CG GLN A1922 -16.768 -21.366 -17.156 1.00 22.89 C ATOM 631 CD GLN A1922 -17.684 -20.173 -17.116 1.00 37.42 C ATOM 632 OE1 GLN A1922 -17.266 -19.045 -16.818 1.00 31.48 O ATOM 633 NE2 GLN A1922 -18.964 -20.402 -17.370 1.00 25.85 N ATOM 634 HE22 GLN A1922 -19.282 -21.361 -17.617 1.00 0.00 H ATOM 635 HE21 GLN A1922 -19.651 -19.623 -17.322 1.00 0.00 H ATOM 636 H GLN A1922 -16.593 -24.183 -15.416 1.00 0.00 H ATOM 637 N TYR A1923 -13.919 -23.713 -13.864 1.00 16.93 N ATOM 638 CA TYR A1923 -12.894 -23.752 -12.824 1.00 17.08 C ATOM 639 C TYR A1923 -11.764 -24.668 -13.289 1.00 22.46 C ATOM 640 O TYR A1923 -11.963 -25.884 -13.418 1.00 20.90 O ATOM 641 CB TYR A1923 -13.429 -24.161 -11.436 1.00 17.21 C ATOM 642 CG TYR A1923 -14.386 -23.140 -10.845 1.00 18.11 C ATOM 643 CD1 TYR A1923 -13.950 -21.863 -10.498 1.00 20.14 C ATOM 644 CD2 TYR A1923 -15.733 -23.439 -10.674 1.00 17.94 C ATOM 645 CE1 TYR A1923 -14.830 -20.917 -9.969 1.00 18.76 C ATOM 646 CE2 TYR A1923 -16.609 -22.524 -10.100 1.00 18.04 C ATOM 647 CZ TYR A1923 -16.161 -21.253 -9.774 1.00 21.11 C ATOM 648 OH TYR A1923 -17.054 -20.331 -9.283 1.00 17.59 O ATOM 649 HH TYR A1923 -16.582 -19.480 -9.101 1.00 0.00 H ATOM 650 H TYR A1923 -14.549 -24.530 -13.994 1.00 0.00 H ATOM 651 N PRO A1924 -10.558 -24.112 -13.526 1.00 20.88 N ATOM 652 CA PRO A1924 -9.442 -24.967 -13.974 1.00 21.62 C ATOM 653 C PRO A1924 -8.900 -25.879 -12.880 1.00 25.77 C ATOM 654 O PRO A1924 -8.286 -26.883 -13.198 1.00 25.37 O ATOM 655 CB PRO A1924 -8.368 -23.966 -14.418 1.00 24.18 C ATOM 656 CG PRO A1924 -8.690 -22.709 -13.704 1.00 27.47 C ATOM 657 CD PRO A1924 -10.175 -22.683 -13.482 1.00 22.64 C ATOM 658 N ASN A1925 -9.080 -25.508 -11.601 1.00 22.32 N ATOM 659 CA ASN A1925 -8.557 -26.279 -10.473 1.00 22.92 C ATOM 660 C ASN A1925 -9.343 -25.972 -9.182 1.00 26.34 C ATOM 661 O ASN A1925 -10.252 -25.123 -9.168 1.00 23.95 O ATOM 662 CB ASN A1925 -7.040 -25.983 -10.290 1.00 22.65 C ATOM 663 CG ASN A1925 -6.735 -24.508 -10.129 1.00 33.40 C ATOM 664 OD1 ASN A1925 -7.368 -23.804 -9.343 1.00 29.29 O ATOM 665 ND2 ASN A1925 -5.793 -23.989 -10.898 1.00 26.47 N ATOM 666 HD22 ASN A1925 -5.267 -24.597 -11.557 1.00 0.00 H ATOM 667 HD21 ASN A1925 -5.578 -22.973 -10.843 1.00 0.00 H ATOM 668 H ASN A1925 -9.613 -24.637 -11.405 1.00 0.00 H ATOM 669 N LEU A1926 -8.968 -26.666 -8.101 1.00 26.33 N ATOM 670 CA LEU A1926 -9.538 -26.538 -6.760 1.00 26.81 C ATOM 671 C LEU A1926 -9.457 -25.129 -6.223 1.00 29.29 C ATOM 672 O LEU A1926 -10.432 -24.638 -5.653 1.00 27.47 O ATOM 673 CB LEU A1926 -8.785 -27.462 -5.778 1.00 28.16 C ATOM 674 CG LEU A1926 -9.108 -28.942 -5.845 1.00 33.57 C ATOM 675 CD1 LEU A1926 -8.333 -29.721 -4.772 1.00 33.97 C ATOM 676 CD2 LEU A1926 -10.610 -29.185 -5.717 1.00 34.33 C ATOM 677 H LEU A1926 -8.202 -27.359 -8.226 1.00 0.00 H ATOM 678 N GLU A1927 -8.272 -24.510 -6.337 1.00 26.78 N ATOM 679 CA GLU A1927 -7.999 -23.183 -5.795 1.00 26.77 C ATOM 680 C GLU A1927 -8.926 -22.134 -6.385 1.00 27.32 C ATOM 681 O GLU A1927 -9.415 -21.308 -5.628 1.00 25.61 O ATOM 682 CB GLU A1927 -6.531 -22.777 -6.014 1.00 29.61 C ATOM 683 H GLU A1927 -7.506 -25.003 -6.839 1.00 0.00 H ATOM 684 N THR A1928 -9.216 -22.186 -7.710 1.00 21.86 N ATOM 685 CA THR A1928 -10.084 -21.175 -8.319 1.00 20.78 C ATOM 686 C THR A1928 -11.512 -21.309 -7.783 1.00 21.62 C ATOM 687 O THR A1928 -12.171 -20.294 -7.606 1.00 21.28 O ATOM 688 CB THR A1928 -10.034 -21.209 -9.845 1.00 25.41 C ATOM 689 OG1 THR A1928 -10.433 -22.511 -10.289 1.00 22.62 O ATOM 690 CG2 THR A1928 -8.644 -20.822 -10.390 1.00 23.42 C ATOM 691 HG1 THR A1928 -9.815 -23.189 -9.917 1.00 0.00 H ATOM 692 H THR A1928 -8.820 -22.948 -8.296 1.00 0.00 H ATOM 693 N PHE A1929 -11.971 -22.542 -7.511 1.00 19.67 N ATOM 694 CA PHE A1929 -13.307 -22.778 -6.937 1.00 18.81 C ATOM 695 C PHE A1929 -13.354 -22.175 -5.512 1.00 22.39 C ATOM 696 O PHE A1929 -14.270 -21.420 -5.197 1.00 21.41 O ATOM 697 CB PHE A1929 -13.654 -24.282 -6.933 1.00 19.77 C ATOM 698 CG PHE A1929 -14.894 -24.642 -6.149 1.00 19.37 C ATOM 699 CD1 PHE A1929 -16.164 -24.477 -6.704 1.00 20.83 C ATOM 700 CD2 PHE A1929 -14.798 -25.138 -4.852 1.00 21.16 C ATOM 701 CE1 PHE A1929 -17.315 -24.778 -5.961 1.00 21.06 C ATOM 702 CE2 PHE A1929 -15.951 -25.466 -4.122 1.00 23.14 C ATOM 703 CZ PHE A1929 -17.198 -25.288 -4.685 1.00 20.92 C ATOM 704 H PHE A1929 -11.361 -23.360 -7.713 1.00 0.00 H ATOM 705 N ALA A1930 -12.340 -22.475 -4.689 1.00 20.95 N ATOM 706 CA ALA A1930 -12.224 -21.979 -3.311 1.00 21.09 C ATOM 707 C ALA A1930 -12.168 -20.448 -3.269 1.00 23.64 C ATOM 708 O ALA A1930 -12.789 -19.847 -2.386 1.00 21.37 O ATOM 709 CB ALA A1930 -10.983 -22.564 -2.646 1.00 22.27 C ATOM 710 H ALA A1930 -11.588 -23.098 -5.048 1.00 0.00 H ATOM 711 N LEU A1931 -11.438 -19.819 -4.219 1.00 20.71 N ATOM 712 CA LEU A1931 -11.331 -18.352 -4.293 1.00 21.07 C ATOM 713 C LEU A1931 -12.715 -17.703 -4.535 1.00 22.83 C ATOM 714 O LEU A1931 -13.030 -16.708 -3.880 1.00 21.10 O ATOM 715 CB LEU A1931 -10.326 -17.906 -5.373 1.00 22.51 C ATOM 716 CG LEU A1931 -8.831 -18.120 -5.051 1.00 30.13 C ATOM 717 CD1 LEU A1931 -7.971 -17.961 -6.308 1.00 31.51 C ATOM 718 CD2 LEU A1931 -8.339 -17.172 -3.954 1.00 33.50 C ATOM 719 H LEU A1931 -10.933 -20.393 -4.924 1.00 0.00 H ATOM 720 N ASP A1932 -13.550 -18.290 -5.422 1.00 18.93 N ATOM 721 CA ASP A1932 -14.893 -17.765 -5.690 1.00 17.88 C ATOM 722 C ASP A1932 -15.818 -17.932 -4.466 1.00 19.59 C ATOM 723 O ASP A1932 -16.577 -17.017 -4.140 1.00 17.32 O ATOM 724 CB ASP A1932 -15.511 -18.416 -6.929 1.00 18.72 C ATOM 725 CG ASP A1932 -15.363 -17.582 -8.197 1.00 24.33 C ATOM 726 OD1 ASP A1932 -14.694 -16.510 -8.141 1.00 24.06 O ATOM 727 OD2 ASP A1932 -15.911 -17.995 -9.243 1.00 20.13 O ATOM 728 H ASP A1932 -13.230 -19.140 -5.930 1.00 0.00 H ATOM 729 N VAL A1933 -15.704 -19.065 -3.754 1.00 16.54 N ATOM 730 CA VAL A1933 -16.485 -19.289 -2.527 1.00 15.53 C ATOM 731 C VAL A1933 -16.072 -18.237 -1.479 1.00 18.63 C ATOM 732 O VAL A1933 -16.936 -17.574 -0.916 1.00 18.73 O ATOM 733 CB VAL A1933 -16.340 -20.732 -1.986 1.00 17.87 C ATOM 734 CG1 VAL A1933 -17.026 -20.862 -0.629 1.00 17.30 C ATOM 735 CG2 VAL A1933 -16.913 -21.752 -2.985 1.00 17.30 C ATOM 736 H VAL A1933 -15.047 -19.803 -4.078 1.00 0.00 H ATOM 737 N ARG A1934 -14.759 -18.041 -1.282 1.00 17.01 N ATOM 738 CA ARG A1934 -14.232 -17.054 -0.329 1.00 17.61 C ATOM 739 C ARG A1934 -14.632 -15.617 -0.729 1.00 20.20 C ATOM 740 O ARG A1934 -14.981 -14.820 0.147 1.00 20.03 O ATOM 741 CB ARG A1934 -12.717 -17.196 -0.182 1.00 20.03 C ATOM 742 CG ARG A1934 -12.363 -18.422 0.668 1.00 31.30 C ATOM 743 CD ARG A1934 -10.904 -18.833 0.588 1.00 29.59 C ATOM 744 NE ARG A1934 -10.714 -20.146 1.215 1.00 30.00 N ATOM 745 CZ ARG A1934 -9.766 -21.015 0.880 1.00 46.43 C ATOM 746 NH1 ARG A1934 -8.884 -20.715 -0.067 1.00 32.36 N ATOM 747 NH2 ARG A1934 -9.688 -22.189 1.495 1.00 35.78 N ATOM 748 HE ARG A1934 -11.369 -20.416 1.977 1.00 0.00 H ATOM 749 HH12 ARG A1934 -8.145 -21.399 -0.325 1.00 0.00 H ATOM 750 HH11 ARG A1934 -8.933 -19.796 -0.551 1.00 0.00 H ATOM 751 HH22 ARG A1934 -8.945 -22.866 1.230 1.00 0.00 H ATOM 752 HH21 ARG A1934 -10.370 -22.431 2.242 1.00 0.00 H ATOM 753 H ARG A1934 -14.084 -18.613 -1.828 1.00 0.00 H ATOM 754 N LEU A1935 -14.698 -15.337 -2.039 1.00 17.03 N ATOM 755 CA LEU A1935 -15.101 -14.028 -2.566 1.00 16.14 C ATOM 756 C LEU A1935 -16.538 -13.706 -2.126 1.00 17.98 C ATOM 757 O LEU A1935 -16.819 -12.560 -1.759 1.00 15.64 O ATOM 758 CB LEU A1935 -14.965 -14.014 -4.096 1.00 15.61 C ATOM 759 CG LEU A1935 -15.467 -12.788 -4.867 1.00 19.23 C ATOM 760 CD1 LEU A1935 -14.754 -11.463 -4.394 1.00 20.07 C ATOM 761 CD2 LEU A1935 -15.310 -13.032 -6.381 1.00 19.73 C ATOM 762 H LEU A1935 -14.451 -16.086 -2.716 1.00 0.00 H ATOM 763 N VAL A1936 -17.427 -14.724 -2.123 1.00 14.50 N ATOM 764 CA VAL A1936 -18.809 -14.559 -1.638 1.00 15.18 C ATOM 765 C VAL A1936 -18.778 -14.014 -0.191 1.00 19.40 C ATOM 766 O VAL A1936 -19.459 -13.032 0.125 1.00 18.77 O ATOM 767 CB VAL A1936 -19.636 -15.887 -1.711 1.00 18.10 C ATOM 768 CG1 VAL A1936 -21.019 -15.718 -1.088 1.00 17.91 C ATOM 769 CG2 VAL A1936 -19.756 -16.407 -3.137 1.00 17.36 C ATOM 770 H VAL A1936 -17.126 -15.655 -2.475 1.00 0.00 H ATOM 771 N PHE A1937 -17.951 -14.612 0.661 1.00 17.65 N ATOM 772 CA PHE A1937 -17.920 -14.221 2.072 1.00 17.17 C ATOM 773 C PHE A1937 -17.129 -12.929 2.322 1.00 19.52 C ATOM 774 O PHE A1937 -17.501 -12.177 3.220 1.00 18.77 O ATOM 775 CB PHE A1937 -17.429 -15.389 2.936 1.00 19.13 C ATOM 776 CG PHE A1937 -18.265 -16.630 2.669 1.00 19.46 C ATOM 777 CD1 PHE A1937 -19.664 -16.563 2.652 1.00 20.42 C ATOM 778 CD2 PHE A1937 -17.658 -17.847 2.388 1.00 20.41 C ATOM 779 CE1 PHE A1937 -20.430 -17.681 2.327 1.00 21.50 C ATOM 780 CE2 PHE A1937 -18.431 -18.989 2.125 1.00 22.53 C ATOM 781 CZ PHE A1937 -19.809 -18.895 2.082 1.00 20.47 C ATOM 782 H PHE A1937 -17.319 -15.365 0.322 1.00 0.00 H ATOM 783 N ASP A1938 -16.108 -12.639 1.508 1.00 17.49 N ATOM 784 CA ASP A1938 -15.337 -11.386 1.578 1.00 18.24 C ATOM 785 C ASP A1938 -16.234 -10.214 1.164 1.00 22.65 C ATOM 786 O ASP A1938 -16.231 -9.182 1.852 1.00 21.83 O ATOM 787 CB ASP A1938 -14.085 -11.472 0.692 1.00 19.42 C ATOM 788 CG ASP A1938 -13.034 -12.413 1.251 1.00 25.00 C ATOM 789 OD1 ASP A1938 -13.157 -12.813 2.444 1.00 23.94 O ATOM 790 OD2 ASP A1938 -12.072 -12.713 0.529 1.00 29.37 O ATOM 791 H ASP A1938 -15.844 -13.338 0.785 1.00 0.00 H ATOM 792 N ASN A1939 -17.065 -10.412 0.107 1.00 18.78 N ATOM 793 CA ASN A1939 -18.055 -9.399 -0.323 1.00 19.69 C ATOM 794 C ASN A1939 -19.057 -9.131 0.779 1.00 21.78 C ATOM 795 O ASN A1939 -19.364 -7.964 1.066 1.00 19.92 O ATOM 796 CB ASN A1939 -18.800 -9.829 -1.592 1.00 17.35 C ATOM 797 CG ASN A1939 -17.943 -9.784 -2.820 1.00 23.74 C ATOM 798 OD1 ASN A1939 -16.841 -9.221 -2.804 1.00 18.51 O ATOM 799 ND2 ASN A1939 -18.442 -10.364 -3.903 1.00 18.50 N ATOM 800 HD22 ASN A1939 -19.374 -10.824 -3.864 1.00 0.00 H ATOM 801 HD21 ASN A1939 -17.902 -10.359 -4.792 1.00 0.00 H ATOM 802 H ASN A1939 -17.003 -11.307 -0.419 1.00 0.00 H ATOM 803 N CYS A1940 -19.564 -10.214 1.398 1.00 19.28 N ATOM 804 CA CYS A1940 -20.532 -10.138 2.489 1.00 18.61 C ATOM 805 C CYS A1940 -19.966 -9.304 3.655 1.00 22.21 C ATOM 806 O CYS A1940 -20.656 -8.411 4.143 1.00 21.21 O ATOM 807 CB CYS A1940 -20.944 -11.535 2.945 1.00 17.45 C ATOM 808 SG CYS A1940 -22.185 -11.538 4.262 1.00 20.15 S ATOM 809 H CYS A1940 -19.250 -11.154 1.083 1.00 0.00 H ATOM 810 N GLU A1941 -18.685 -9.539 4.030 1.00 19.43 N ATOM 811 CA GLU A1941 -17.997 -8.809 5.102 1.00 20.72 C ATOM 812 C GLU A1941 -17.833 -7.322 4.746 1.00 25.46 C ATOM 813 O GLU A1941 -17.992 -6.470 5.624 1.00 25.78 O ATOM 814 CB GLU A1941 -16.630 -9.454 5.391 1.00 22.35 C ATOM 815 CG GLU A1941 -15.835 -8.857 6.547 1.00 34.21 C ATOM 816 CD GLU A1941 -16.440 -9.052 7.925 1.00 51.58 C ATOM 817 OE1 GLU A1941 -16.768 -10.213 8.263 1.00 42.11 O ATOM 818 OE2 GLU A1941 -16.573 -8.052 8.671 1.00 33.30 O ATOM 819 H GLU A1941 -18.157 -10.281 3.528 1.00 0.00 H ATOM 820 N THR A1942 -17.506 -7.015 3.478 1.00 21.54 N ATOM 821 CA THR A1942 -17.312 -5.636 3.019 1.00 21.29 C ATOM 822 C THR A1942 -18.615 -4.831 3.121 1.00 24.79 C ATOM 823 O THR A1942 -18.569 -3.656 3.488 1.00 25.96 O ATOM 824 CB THR A1942 -16.769 -5.612 1.560 1.00 26.01 C ATOM 825 OG1 THR A1942 -15.497 -6.257 1.519 1.00 26.13 O ATOM 826 CG2 THR A1942 -16.595 -4.179 1.002 1.00 27.78 C ATOM 827 HG1 THR A1942 -15.594 -7.195 1.822 1.00 0.00 H ATOM 828 H THR A1942 -17.386 -7.789 2.794 1.00 0.00 H ATOM 829 N PHE A1943 -19.758 -5.444 2.764 1.00 19.80 N ATOM 830 CA PHE A1943 -21.030 -4.719 2.689 1.00 19.66 C ATOM 831 C PHE A1943 -21.922 -4.824 3.934 1.00 24.90 C ATOM 832 O PHE A1943 -22.822 -3.995 4.092 1.00 25.37 O ATOM 833 CB PHE A1943 -21.829 -5.186 1.456 1.00 20.22 C ATOM 834 CG PHE A1943 -22.758 -4.135 0.886 1.00 21.95 C ATOM 835 CD1 PHE A1943 -22.261 -3.088 0.104 1.00 25.42 C ATOM 836 CD2 PHE A1943 -24.127 -4.186 1.130 1.00 23.45 C ATOM 837 CE1 PHE A1943 -23.120 -2.125 -0.438 1.00 26.74 C ATOM 838 CE2 PHE A1943 -24.988 -3.218 0.583 1.00 26.74 C ATOM 839 CZ PHE A1943 -24.477 -2.194 -0.191 1.00 25.31 C ATOM 840 H PHE A1943 -19.739 -6.458 2.535 1.00 0.00 H ATOM 841 N ASN A1944 -21.701 -5.821 4.801 1.00 20.50 N ATOM 842 CA ASN A1944 -22.585 -6.017 5.938 1.00 20.20 C ATOM 843 C ASN A1944 -21.870 -5.884 7.272 1.00 23.61 C ATOM 844 O ASN A1944 -20.721 -6.319 7.441 1.00 21.88 O ATOM 845 CB ASN A1944 -23.256 -7.397 5.852 1.00 21.89 C ATOM 846 CG ASN A1944 -24.105 -7.577 4.613 1.00 28.40 C ATOM 847 OD1 ASN A1944 -25.303 -7.284 4.623 1.00 21.69 O ATOM 848 ND2 ASN A1944 -23.516 -8.077 3.520 1.00 19.63 N ATOM 849 HD22 ASN A1944 -22.504 -8.316 3.538 1.00 0.00 H ATOM 850 HD21 ASN A1944 -24.070 -8.227 2.653 1.00 0.00 H ATOM 851 H ASN A1944 -20.892 -6.459 4.660 1.00 0.00 H ATOM 852 N GLU A1945 -22.565 -5.260 8.216 1.00 20.85 N ATOM 853 CA GLU A1945 -22.098 -5.143 9.596 1.00 21.06 C ATOM 854 C GLU A1945 -21.993 -6.549 10.159 1.00 23.72 C ATOM 855 O GLU A1945 -22.850 -7.377 9.835 1.00 22.42 O ATOM 856 CB GLU A1945 -23.096 -4.309 10.428 1.00 23.24 C ATOM 857 CG GLU A1945 -22.972 -2.795 10.264 1.00 28.80 C ATOM 858 CD GLU A1945 -21.647 -2.176 10.676 1.00 44.22 C ATOM 859 OE1 GLU A1945 -20.903 -2.798 11.469 1.00 34.03 O ATOM 860 OE2 GLU A1945 -21.350 -1.061 10.196 1.00 38.27 O ATOM 861 H GLU A1945 -23.480 -4.837 7.963 1.00 0.00 H ATOM 862 N ASP A1946 -20.959 -6.841 10.969 1.00 21.75 N ATOM 863 CA ASP A1946 -20.823 -8.143 11.651 1.00 22.07 C ATOM 864 C ASP A1946 -22.061 -8.388 12.513 1.00 26.18 C ATOM 865 O ASP A1946 -22.586 -9.502 12.545 1.00 24.20 O ATOM 866 CB ASP A1946 -19.552 -8.179 12.525 1.00 25.02 C ATOM 867 CG ASP A1946 -18.254 -8.287 11.757 1.00 30.94 C ATOM 868 OD1 ASP A1946 -18.287 -8.746 10.585 1.00 27.52 O ATOM 869 OD2 ASP A1946 -17.202 -7.946 12.330 1.00 33.36 O ATOM 870 H ASP A1946 -20.225 -6.120 11.121 1.00 0.00 H ATOM 871 N ASP A1947 -22.572 -7.310 13.144 1.00 23.24 N ATOM 872 CA ASP A1947 -23.773 -7.365 13.966 1.00 23.66 C ATOM 873 C ASP A1947 -25.014 -7.101 13.095 1.00 27.07 C ATOM 874 O ASP A1947 -25.627 -6.035 13.168 1.00 27.43 O ATOM 875 CB ASP A1947 -23.690 -6.380 15.154 1.00 25.71 C ATOM 876 CG ASP A1947 -24.857 -6.462 16.132 1.00 34.90 C ATOM 877 OD1 ASP A1947 -25.649 -7.436 16.043 1.00 32.91 O ATOM 878 OD2 ASP A1947 -24.985 -5.552 16.978 1.00 39.91 O ATOM 879 H ASP A1947 -22.085 -6.397 13.038 1.00 0.00 H ATOM 880 N SER A1948 -25.371 -8.093 12.283 1.00 21.65 N ATOM 881 CA SER A1948 -26.530 -8.131 11.388 1.00 21.07 C ATOM 882 C SER A1948 -26.803 -9.590 11.036 1.00 23.46 C ATOM 883 O SER A1948 -25.896 -10.419 11.184 1.00 21.13 O ATOM 884 CB SER A1948 -26.304 -7.281 10.127 1.00 22.38 C ATOM 885 OG SER A1948 -25.374 -7.875 9.233 1.00 22.82 O ATOM 886 HG SER A1948 -24.502 -7.983 9.689 1.00 0.00 H ATOM 887 H SER A1948 -24.760 -8.934 12.284 1.00 0.00 H ATOM 888 N ASP A1949 -28.042 -9.925 10.607 1.00 20.94 N ATOM 889 CA ASP A1949 -28.366 -11.318 10.231 1.00 20.78 C ATOM 890 C ASP A1949 -27.485 -11.810 9.070 1.00 22.40 C ATOM 891 O ASP A1949 -26.948 -12.921 9.138 1.00 19.56 O ATOM 892 CB ASP A1949 -29.842 -11.470 9.847 1.00 23.20 C ATOM 893 CG ASP A1949 -30.776 -11.238 11.009 1.00 28.57 C ATOM 894 OD1 ASP A1949 -31.065 -12.206 11.736 1.00 24.02 O ATOM 895 OD2 ASP A1949 -31.271 -10.098 11.149 1.00 38.00 O ATOM 896 H ASP A1949 -28.777 -9.192 10.541 1.00 0.00 H ATOM 897 N ILE A1950 -27.319 -10.982 8.024 1.00 19.46 N ATOM 898 CA ILE A1950 -26.513 -11.359 6.846 1.00 18.89 C ATOM 899 C ILE A1950 -25.014 -11.437 7.252 1.00 20.44 C ATOM 900 O ILE A1950 -24.304 -12.335 6.798 1.00 17.56 O ATOM 901 CB ILE A1950 -26.769 -10.416 5.637 1.00 22.16 C ATOM 902 CG1 ILE A1950 -28.242 -10.557 5.123 1.00 23.26 C ATOM 903 CG2 ILE A1950 -25.773 -10.693 4.489 1.00 22.10 C ATOM 904 CD1 ILE A1950 -28.699 -9.532 3.986 1.00 30.05 C ATOM 905 H ILE A1950 -27.773 -10.046 8.045 1.00 0.00 H ATOM 906 N GLY A1951 -24.558 -10.493 8.077 1.00 18.86 N ATOM 907 CA GLY A1951 -23.185 -10.495 8.593 1.00 18.44 C ATOM 908 C GLY A1951 -22.867 -11.791 9.331 1.00 21.33 C ATOM 909 O GLY A1951 -21.851 -12.436 9.052 1.00 20.11 O ATOM 910 H GLY A1951 -25.200 -9.727 8.365 1.00 0.00 H ATOM 911 N ARG A1952 -23.790 -12.234 10.201 1.00 17.96 N ATOM 912 CA ARG A1952 -23.632 -13.502 10.934 1.00 17.74 C ATOM 913 C ARG A1952 -23.760 -14.705 9.983 1.00 19.88 C ATOM 914 O ARG A1952 -22.992 -15.657 10.139 1.00 18.86 O ATOM 915 CB ARG A1952 -24.615 -13.616 12.089 1.00 17.14 C ATOM 916 CG ARG A1952 -24.211 -12.781 13.308 1.00 19.75 C ATOM 917 CD ARG A1952 -25.180 -12.974 14.454 1.00 27.48 C ATOM 918 NE ARG A1952 -26.476 -12.357 14.183 1.00 25.66 N ATOM 919 CZ ARG A1952 -26.775 -11.082 14.417 1.00 33.75 C ATOM 920 NH1 ARG A1952 -27.983 -10.621 14.146 1.00 21.87 N ATOM 921 NH2 ARG A1952 -25.867 -10.260 14.924 1.00 24.45 N ATOM 922 HE ARG A1952 -27.220 -12.959 13.777 1.00 0.00 H ATOM 923 HH12 ARG A1952 -28.212 -9.624 14.331 1.00 0.00 H ATOM 924 HH11 ARG A1952 -28.705 -11.256 13.748 1.00 0.00 H ATOM 925 HH22 ARG A1952 -26.109 -9.265 15.104 1.00 0.00 H ATOM 926 HH21 ARG A1952 -24.912 -10.610 15.142 1.00 0.00 H ATOM 927 H ARG A1952 -24.644 -11.663 10.362 1.00 0.00 H ATOM 928 N ALA A1953 -24.689 -14.649 8.990 1.00 17.69 N ATOM 929 CA ALA A1953 -24.851 -15.714 7.963 1.00 17.21 C ATOM 930 C ALA A1953 -23.519 -15.957 7.235 1.00 20.94 C ATOM 931 O ALA A1953 -23.091 -17.112 7.102 1.00 18.48 O ATOM 932 CB ALA A1953 -25.938 -15.336 6.955 1.00 17.71 C ATOM 933 H ALA A1953 -25.317 -13.821 8.947 1.00 0.00 H ATOM 934 N GLY A1954 -22.864 -14.871 6.812 1.00 18.95 N ATOM 935 CA GLY A1954 -21.573 -14.946 6.126 1.00 18.18 C ATOM 936 C GLY A1954 -20.497 -15.621 6.957 1.00 20.69 C ATOM 937 O GLY A1954 -19.773 -16.477 6.449 1.00 18.82 O ATOM 938 H GLY A1954 -23.288 -13.936 6.977 1.00 0.00 H ATOM 939 N HIS A1955 -20.403 -15.270 8.251 1.00 18.98 N ATOM 940 CA HIS A1955 -19.407 -15.872 9.143 1.00 20.89 C ATOM 941 C HIS A1955 -19.683 -17.349 9.321 1.00 21.84 C ATOM 942 O HIS A1955 -18.753 -18.153 9.224 1.00 20.34 O ATOM 943 CB HIS A1955 -19.366 -15.168 10.517 1.00 23.71 C ATOM 944 CG HIS A1955 -18.896 -13.754 10.425 1.00 29.28 C ATOM 945 ND1 HIS A1955 -19.564 -12.733 11.067 1.00 32.77 N ATOM 946 CD2 HIS A1955 -17.848 -13.231 9.747 1.00 31.97 C ATOM 947 CE1 HIS A1955 -18.921 -11.628 10.745 1.00 32.41 C ATOM 948 NE2 HIS A1955 -17.879 -11.877 9.962 1.00 32.51 N ATOM 949 H HIS A1955 -21.054 -14.553 8.630 1.00 0.00 H ATOM 950 N ASN A1956 -20.958 -17.709 9.535 1.00 17.98 N ATOM 951 CA ASN A1956 -21.364 -19.112 9.698 1.00 18.10 C ATOM 952 C ASN A1956 -21.052 -19.919 8.446 1.00 20.89 C ATOM 953 O ASN A1956 -20.466 -20.998 8.552 1.00 20.33 O ATOM 954 CB ASN A1956 -22.874 -19.221 10.015 1.00 17.80 C ATOM 955 CG ASN A1956 -23.240 -18.762 11.400 1.00 23.51 C ATOM 956 OD1 ASN A1956 -22.386 -18.462 12.229 1.00 20.71 O ATOM 957 ND2 ASN A1956 -24.523 -18.690 11.678 1.00 16.83 N ATOM 958 HD22 ASN A1956 -25.227 -18.950 10.958 1.00 0.00 H ATOM 959 HD21 ASN A1956 -24.834 -18.373 12.618 1.00 0.00 H ATOM 960 H ASN A1956 -21.686 -16.968 9.587 1.00 0.00 H ATOM 961 N MET A1957 -21.448 -19.396 7.262 1.00 16.94 N ATOM 962 CA MET A1957 -21.261 -20.106 5.991 1.00 16.41 C ATOM 963 C MET A1957 -19.768 -20.293 5.654 1.00 20.33 C ATOM 964 O MET A1957 -19.400 -21.365 5.181 1.00 20.21 O ATOM 965 CB MET A1957 -22.006 -19.430 4.838 1.00 17.89 C ATOM 966 CG MET A1957 -23.548 -19.500 4.943 1.00 22.81 C ATOM 967 SD MET A1957 -24.295 -21.135 5.154 1.00 28.26 S ATOM 968 CE MET A1957 -23.649 -21.984 3.714 1.00 24.44 C ATOM 969 H MET A1957 -21.900 -18.459 7.253 1.00 0.00 H ATOM 970 N ARG A1958 -18.924 -19.286 5.928 1.00 18.33 N ATOM 971 CA ARG A1958 -17.467 -19.372 5.717 1.00 18.66 C ATOM 972 C ARG A1958 -16.882 -20.504 6.606 1.00 20.62 C ATOM 973 O ARG A1958 -16.145 -21.335 6.090 1.00 19.54 O ATOM 974 CB ARG A1958 -16.760 -18.029 5.998 1.00 19.07 C ATOM 975 CG ARG A1958 -15.251 -18.099 5.704 1.00 25.34 C ATOM 976 CD ARG A1958 -14.451 -16.970 6.325 1.00 25.67 C ATOM 977 NE ARG A1958 -14.856 -15.640 5.856 1.00 24.59 N ATOM 978 CZ ARG A1958 -14.376 -15.032 4.774 1.00 36.10 C ATOM 979 NH1 ARG A1958 -13.508 -15.654 3.980 1.00 28.33 N ATOM 980 NH2 ARG A1958 -14.775 -13.807 4.466 1.00 24.49 N ATOM 981 HE ARG A1958 -15.574 -15.133 6.412 1.00 0.00 H ATOM 982 HH12 ARG A1958 -13.137 -15.172 3.136 1.00 0.00 H ATOM 983 HH11 ARG A1958 -13.200 -16.622 4.203 1.00 0.00 H ATOM 984 HH22 ARG A1958 -14.398 -13.335 3.620 1.00 0.00 H ATOM 985 HH21 ARG A1958 -15.465 -13.318 5.071 1.00 0.00 H ATOM 986 H ARG A1958 -19.317 -18.401 6.308 1.00 0.00 H ATOM 987 N LYS A1959 -17.235 -20.542 7.903 1.00 17.66 N ATOM 988 CA LYS A1959 -16.773 -21.599 8.822 1.00 17.77 C ATOM 989 C LYS A1959 -17.234 -22.983 8.323 1.00 20.84 C ATOM 990 O LYS A1959 -16.442 -23.927 8.296 1.00 19.83 O ATOM 991 CB LYS A1959 -17.279 -21.338 10.255 1.00 19.50 C ATOM 992 CG LYS A1959 -16.702 -22.277 11.314 1.00 23.33 C ATOM 993 CD LYS A1959 -15.356 -21.798 11.855 1.00 30.98 C ATOM 994 H LYS A1959 -17.859 -19.796 8.273 1.00 0.00 H ATOM 995 N TYR A1960 -18.506 -23.083 7.904 1.00 18.68 N ATOM 996 CA TYR A1960 -19.099 -24.323 7.394 1.00 19.11 C ATOM 997 C TYR A1960 -18.331 -24.824 6.157 1.00 22.28 C ATOM 998 O TYR A1960 -17.995 -26.017 6.074 1.00 20.43 O ATOM 999 CB TYR A1960 -20.575 -24.088 7.068 1.00 19.56 C ATOM 1000 CG TYR A1960 -21.348 -25.337 6.720 1.00 21.86 C ATOM 1001 CD1 TYR A1960 -21.734 -26.241 7.709 1.00 24.38 C ATOM 1002 CD2 TYR A1960 -21.779 -25.570 5.416 1.00 22.20 C ATOM 1003 CE1 TYR A1960 -22.490 -27.369 7.401 1.00 25.06 C ATOM 1004 CE2 TYR A1960 -22.540 -26.689 5.098 1.00 23.42 C ATOM 1005 CZ TYR A1960 -22.891 -27.587 6.093 1.00 29.82 C ATOM 1006 OH TYR A1960 -23.633 -28.691 5.765 1.00 30.25 O ATOM 1007 HH TYR A1960 -23.800 -29.229 6.579 1.00 0.00 H ATOM 1008 H TYR A1960 -19.104 -22.233 7.944 1.00 0.00 H ATOM 1009 N PHE A1961 -18.013 -23.896 5.236 1.00 19.40 N ATOM 1010 CA PHE A1961 -17.249 -24.204 4.027 1.00 18.08 C ATOM 1011 C PHE A1961 -15.847 -24.710 4.364 1.00 21.74 C ATOM 1012 O PHE A1961 -15.449 -25.777 3.884 1.00 19.74 O ATOM 1013 CB PHE A1961 -17.117 -22.957 3.126 1.00 18.06 C ATOM 1014 CG PHE A1961 -16.177 -23.185 1.961 1.00 19.24 C ATOM 1015 CD1 PHE A1961 -16.482 -24.118 0.968 1.00 21.10 C ATOM 1016 CD2 PHE A1961 -14.958 -22.506 1.883 1.00 21.36 C ATOM 1017 CE1 PHE A1961 -15.596 -24.349 -0.098 1.00 21.85 C ATOM 1018 CE2 PHE A1961 -14.075 -22.736 0.814 1.00 24.05 C ATOM 1019 CZ PHE A1961 -14.398 -23.661 -0.161 1.00 22.14 C ATOM 1020 H PHE A1961 -18.324 -22.916 5.391 1.00 0.00 H ATOM 1021 N GLU A1962 -15.097 -23.917 5.167 1.00 25.12 N ATOM 1022 CA GLU A1962 -13.700 -24.205 5.496 1.00 26.72 C ATOM 1023 C GLU A1962 -13.527 -25.580 6.150 1.00 31.47 C ATOM 1024 O GLU A1962 -12.553 -26.269 5.841 1.00 31.27 O ATOM 1025 CB GLU A1962 -13.063 -23.088 6.345 1.00 28.62 C ATOM 1026 CG GLU A1962 -12.910 -21.757 5.599 1.00 33.40 C ATOM 1027 CD GLU A1962 -12.197 -21.705 4.251 1.00 53.01 C ATOM 1028 OE1 GLU A1962 -11.459 -22.659 3.905 1.00 41.03 O ATOM 1029 OE2 GLU A1962 -12.365 -20.683 3.544 1.00 42.61 O ATOM 1030 H GLU A1962 -15.535 -23.063 5.569 1.00 0.00 H ATOM 1031 N LYS A1963 -14.490 -26.005 6.982 1.00 29.18 N ATOM 1032 CA LYS A1963 -14.458 -27.325 7.617 1.00 29.92 C ATOM 1033 C LYS A1963 -14.624 -28.420 6.538 1.00 34.57 C ATOM 1034 O LYS A1963 -13.866 -29.395 6.527 1.00 36.10 O ATOM 1035 CB LYS A1963 -15.543 -27.413 8.710 1.00 32.06 C ATOM 1036 CG LYS A1963 -15.853 -28.838 9.198 1.00 45.12 C ATOM 1037 CD LYS A1963 -15.176 -29.186 10.486 1.00 51.47 C ATOM 1038 CE LYS A1963 -15.654 -30.521 11.018 1.00 58.12 C ATOM 1039 NZ LYS A1963 -14.608 -31.567 10.912 1.00 55.36 N ATOM 1040 HZ1 LYS A1963 -14.343 -31.690 9.914 1.00 0.00 H ATOM 1041 HZ2 LYS A1963 -13.773 -31.278 11.461 1.00 0.00 H ATOM 1042 HZ3 LYS A1963 -14.977 -32.464 11.287 1.00 0.00 H ATOM 1043 H LYS A1963 -15.291 -25.373 7.184 1.00 0.00 H ATOM 1044 N LYS A1964 -15.589 -28.242 5.622 1.00 29.79 N ATOM 1045 CA LYS A1964 -15.836 -29.189 4.530 1.00 29.59 C ATOM 1046 C LYS A1964 -14.646 -29.223 3.571 1.00 32.65 C ATOM 1047 O LYS A1964 -14.242 -30.308 3.163 1.00 32.68 O ATOM 1048 CB LYS A1964 -17.147 -28.872 3.801 1.00 30.66 C ATOM 1049 CG LYS A1964 -18.299 -29.036 4.764 1.00 43.06 C ATOM 1050 CD LYS A1964 -19.656 -29.052 4.142 1.00 48.70 C ATOM 1051 CE LYS A1964 -20.583 -29.814 5.063 1.00 56.32 C ATOM 1052 NZ LYS A1964 -20.258 -31.262 5.140 1.00 63.01 N ATOM 1053 HZ1 LYS A1964 -20.334 -31.684 4.192 1.00 0.00 H ATOM 1054 HZ2 LYS A1964 -19.288 -31.380 5.497 1.00 0.00 H ATOM 1055 HZ3 LYS A1964 -20.925 -31.732 5.785 1.00 0.00 H ATOM 1056 H LYS A1964 -16.188 -27.395 5.690 1.00 0.00 H ATOM 1057 N TRP A1965 -14.017 -28.061 3.315 1.00 29.17 N ATOM 1058 CA TRP A1965 -12.843 -27.945 2.451 1.00 30.56 C ATOM 1059 C TRP A1965 -11.618 -28.704 3.031 1.00 37.05 C ATOM 1060 O TRP A1965 -10.977 -29.457 2.298 1.00 36.02 O ATOM 1061 CB TRP A1965 -12.486 -26.477 2.219 1.00 30.10 C ATOM 1062 CG TRP A1965 -11.524 -26.289 1.090 1.00 31.99 C ATOM 1063 CD1 TRP A1965 -10.208 -25.942 1.182 1.00 35.65 C ATOM 1064 CD2 TRP A1965 -11.801 -26.463 -0.307 1.00 31.23 C ATOM 1065 NE1 TRP A1965 -9.661 -25.827 -0.078 1.00 35.63 N ATOM 1066 CE2 TRP A1965 -10.609 -26.172 -1.010 1.00 36.10 C ATOM 1067 CE3 TRP A1965 -12.947 -26.816 -1.039 1.00 31.47 C ATOM 1068 CZ2 TRP A1965 -10.528 -26.237 -2.406 1.00 34.57 C ATOM 1069 CZ3 TRP A1965 -12.875 -26.843 -2.420 1.00 32.61 C ATOM 1070 CH2 TRP A1965 -11.676 -26.559 -3.090 1.00 33.73 C ATOM 1071 HE1 TRP A1965 -8.688 -25.527 -0.289 1.00 0.00 H ATOM 1072 H TRP A1965 -14.387 -27.196 3.757 1.00 0.00 H ATOM 1073 N THR A1966 -11.307 -28.512 4.332 1.00 35.39 N ATOM 1074 CA THR A1966 -10.169 -29.183 4.976 1.00 36.13 C ATOM 1075 C THR A1966 -10.401 -30.679 5.086 1.00 40.80 C ATOM 1076 O THR A1966 -9.483 -31.454 4.809 1.00 40.68 O ATOM 1077 CB THR A1966 -9.873 -28.611 6.368 1.00 46.46 C ATOM 1078 OG1 THR A1966 -11.057 -28.663 7.161 1.00 53.84 O ATOM 1079 CG2 THR A1966 -9.324 -27.203 6.321 1.00 42.26 C ATOM 1080 HG1 THR A1966 -11.768 -28.128 6.727 1.00 0.00 H ATOM 1081 H THR A1966 -11.894 -27.866 4.898 1.00 0.00 H ATOM 1082 N ASP A1967 -11.625 -31.090 5.482 1.00 36.89 N ATOM 1083 CA ASP A1967 -11.964 -32.503 5.646 1.00 36.89 C ATOM 1084 C ASP A1967 -11.924 -33.271 4.313 1.00 41.56 C ATOM 1085 O ASP A1967 -11.539 -34.441 4.302 1.00 42.34 O ATOM 1086 CB ASP A1967 -13.343 -32.655 6.301 1.00 37.82 C ATOM 1087 CG ASP A1967 -13.395 -32.292 7.780 1.00 42.97 C ATOM 1088 OD1 ASP A1967 -12.322 -31.971 8.363 1.00 42.33 O ATOM 1089 OD2 ASP A1967 -14.501 -32.314 8.351 1.00 44.32 O ATOM 1090 H ASP A1967 -12.354 -30.375 5.678 1.00 0.00 H ATOM 1091 N THR A1968 -12.314 -32.618 3.199 1.00 36.89 N ATOM 1092 CA THR A1968 -12.335 -33.253 1.879 1.00 36.31 C ATOM 1093 C THR A1968 -10.950 -33.260 1.205 1.00 41.68 C ATOM 1094 O THR A1968 -10.611 -34.253 0.560 1.00 41.70 O ATOM 1095 CB THR A1968 -13.361 -32.537 0.961 1.00 36.36 C ATOM 1096 OG1 THR A1968 -14.615 -32.389 1.637 1.00 35.47 O ATOM 1097 CG2 THR A1968 -13.581 -33.252 -0.368 1.00 33.29 C ATOM 1098 HG1 THR A1968 -14.485 -31.851 2.458 1.00 0.00 H ATOM 1099 H THR A1968 -12.611 -31.625 3.280 1.00 0.00 H ATOM 1100 N PHE A1969 -10.180 -32.155 1.299 1.00 39.59 N ATOM 1101 CA PHE A1969 -8.937 -32.026 0.542 1.00 40.39 C ATOM 1102 C PHE A1969 -7.643 -31.819 1.371 1.00 50.86 C ATOM 1103 O PHE A1969 -6.592 -31.545 0.775 1.00 53.01 O ATOM 1104 CB PHE A1969 -9.084 -30.879 -0.478 1.00 40.55 C ATOM 1105 CG PHE A1969 -10.235 -31.026 -1.452 1.00 39.29 C ATOM 1106 CD1 PHE A1969 -10.195 -31.982 -2.466 1.00 39.70 C ATOM 1107 CD2 PHE A1969 -11.330 -30.167 -1.396 1.00 38.44 C ATOM 1108 CE1 PHE A1969 -11.255 -32.111 -3.369 1.00 38.96 C ATOM 1109 CE2 PHE A1969 -12.390 -30.301 -2.295 1.00 39.52 C ATOM 1110 CZ PHE A1969 -12.342 -31.267 -3.282 1.00 37.45 C ATOM 1111 H PHE A1969 -10.478 -31.379 1.924 1.00 0.00 H ATOM 1112 N LYS A1970 -7.690 -32.003 2.704 1.00 48.56 N ATOM 1113 CA LYS A1970 -6.507 -31.865 3.570 1.00 87.53 C ATOM 1114 C LYS A1970 -6.578 -32.799 4.785 1.00112.52 C ATOM 1115 O LYS A1970 -7.265 -33.819 4.760 1.00 73.05 O ATOM 1116 CB LYS A1970 -6.344 -30.412 4.042 1.00 90.10 C ATOM 1117 H LYS A1970 -8.600 -32.253 3.140 1.00 0.00 H TER 1118 LYS A1970 HETATM 1119 O HOH 1 -23.083 -12.624 -7.940 1.00 18.75 O HETATM 1120 O HOH 2 -15.493 -26.410 -13.511 1.00 18.05 O HETATM 1121 O HOH 3 -18.798 -13.132 5.443 1.00 22.21 O HETATM 1122 O HOH 4 -25.946 -13.033 -2.901 1.00 19.54 O HETATM 1123 O HOH 5 -21.943 -21.215 -18.373 1.00 36.63 O HETATM 1124 O HOH 6 -19.937 -4.346 -9.305 1.00 29.33 O HETATM 1125 O HOH 7 -8.450 -30.108 -9.346 1.00 28.39 O HETATM 1126 O HOH 8 -28.624 -25.860 8.089 1.00 24.90 O HETATM 1127 O HOH 9 -28.897 -8.499 7.620 1.00 19.90 O HETATM 1128 O HOH 10 -16.357 -2.313 4.201 1.00 26.63 O HETATM 1129 O HOH 11 9.554 -30.217 -8.417 1.00 20.13 O HETATM 1130 O HOH 12 -18.691 -27.876 7.958 1.00 29.73 O HETATM 1131 O HOH 13 -15.200 -35.580 -10.551 1.00 20.32 O HETATM 1132 O HOH 14 -15.367 -7.698 -4.793 1.00 22.77 O HETATM 1133 O HOH 15 -11.134 -14.910 -3.108 1.00 27.85 O HETATM 1134 O HOH 16 -26.253 -1.272 -6.798 1.00 30.68 O HETATM 1135 O HOH 17 -8.057 -31.052 -11.859 1.00 27.28 O HETATM 1136 O HOH 18 -28.760 -7.519 14.715 1.00 41.01 O HETATM 1137 O HOH 19 -24.674 -8.893 -7.891 1.00 23.26 O HETATM 1138 O HOH 20 -26.828 -21.950 -11.346 1.00 27.60 O HETATM 1139 O HOH 21 -26.320 -28.394 4.335 1.00 26.15 O HETATM 1140 O HOH 22 -28.203 -21.065 -5.514 1.00 29.01 O HETATM 1141 O HOH 23 -25.321 -4.249 7.745 1.00 29.28 O HETATM 1142 O HOH 24 -12.680 -17.848 -11.485 1.00 33.21 O HETATM 1143 O HOH 25 -11.709 -17.941 -8.928 1.00 29.62 O HETATM 1144 O HOH 26 7.684 -37.954 -8.066 1.00 27.37 O HETATM 1145 O HOH 27 -14.740 -5.183 -3.924 1.00 27.95 O HETATM 1146 O HOH 28 -19.886 -8.911 8.193 1.00 21.82 O HETATM 1147 O HOH 29 -24.155 1.040 -6.742 1.00 30.67 O HETATM 1148 O HOH 30 -26.901 -22.720 -7.019 1.00 34.30 O HETATM 1149 O HOH 31 -12.014 -18.184 4.269 1.00 32.45 O HETATM 1150 O HOH 32 -12.031 -12.425 -2.026 1.00 28.80 O HETATM 1151 O HOH 33 -27.014 -6.786 6.651 1.00 29.86 O HETATM 1152 O HOH 34 -31.374 -9.072 6.324 1.00 30.69 O HETATM 1153 O HOH 35 -26.671 -27.509 8.725 1.00 47.18 O HETATM 1154 O HOH 36 14.495 -28.897 -14.183 1.00 21.78 O HETATM 1155 O HOH 37 -17.132 -14.511 6.940 1.00 34.39 O HETATM 1156 O HOH 38 -26.228 -23.807 -13.285 1.00 31.01 O HETATM 1157 O HOH 39 -10.355 -14.645 1.424 1.00 40.07 O HETATM 1158 O HOH 40 -30.737 -23.142 1.750 1.00 28.82 O HETATM 1159 O HOH 41 -13.354 -8.752 3.319 1.00 42.80 O HETATM 1160 O HOH 42 -11.055 -13.648 -5.912 1.00 39.76 O HETATM 1161 O HOH 43 -21.034 -4.814 13.496 1.00 27.39 O HETATM 1162 O HOH 44 -31.770 -12.254 14.615 1.00 39.76 O HETATM 1163 O HOH 45 -18.677 -5.131 10.948 1.00 29.21 O HETATM 1164 O HOH 46 -24.334 -32.631 -5.251 1.00 43.32 O HETATM 1165 O HOH 47 -14.370 -15.014 -10.263 1.00 26.06 O HETATM 1166 O HOH 48 -7.818 -17.909 -0.388 1.00 39.91 O HETATM 1167 O HOH 49 -28.388 -7.617 -10.595 1.00 33.28 O HETATM 1168 O HOH 50 -23.986 -9.313 -10.452 1.00 29.65 O HETATM 1169 O HOH 51 -7.350 -24.004 -2.445 1.00 54.75 O HETATM 1170 O HOH 52 -12.069 -19.513 -13.177 1.00 48.49 O HETATM 1171 O HOH 53 -16.724 -15.059 -12.869 1.00 34.17 O HETATM 1172 O HOH 54 -9.508 -15.603 -0.973 1.00 35.53 O HETATM 1173 O HOH 55 -14.822 -17.894 -16.461 1.00 37.97 O HETATM 1174 O HOH 56 -6.226 -28.812 -8.575 1.00 37.50 O HETATM 1175 O HOH 57 -30.030 -7.813 10.378 1.00 33.03 O HETATM 1176 O HOH 58 -21.164 -34.885 -6.730 1.00 37.64 O HETATM 1177 O HOH 59 -28.181 -0.139 -0.010 1.00 38.36 O HETATM 1178 O HOH 60 -4.305 -25.502 -12.849 1.00 47.05 O HETATM 1179 O HOH 61 -25.559 3.719 -5.133 1.00 32.24 O HETATM 1180 O HOH 62 -21.949 -7.936 -11.781 1.00 34.18 O HETATM 1181 O HOH 63 -16.233 -17.327 9.836 1.00 31.33 O HETATM 1182 O HOH 64 -31.923 -20.887 2.385 1.00 40.26 O HETATM 1183 O HOH 65 -10.118 -24.618 4.903 1.00 37.45 O HETATM 1184 O HOH 66 -28.933 -24.556 12.336 1.00 27.26 O HETATM 1185 O HOH 67 -14.377 -24.277 10.051 1.00 38.73 O HETATM 1186 O HOH 68 -6.645 -28.902 -12.633 1.00 38.39 O HETATM 1187 O HOH 69 -17.445 -11.038 -10.261 1.00 32.62 O HETATM 1188 O HOH 70 -15.377 -12.820 -10.834 1.00 43.07 O HETATM 1189 O HOH 71 -11.956 -9.733 -2.657 1.00 40.91 O HETATM 1190 O HOH 72 -4.203 -32.237 -8.281 1.00 45.05 O HETATM 1191 O HOH 73 -15.396 -37.153 0.807 1.00 50.58 O HETATM 1192 O HOH 74 -17.824 -38.740 -0.403 1.00 68.47 O HETATM 1193 O HOH 75 -9.771 -36.329 -6.623 1.00 23.33 O HETATM 1194 O HOH 76 -6.957 -34.453 -1.412 1.00 59.86 O HETATM 1195 O HOH 77 -24.194 -33.781 -1.593 1.00 62.41 O HETATM 1196 O HOH 78 -31.270 -23.899 -2.174 1.00 45.72 O HETATM 1197 O HOH 79 -33.159 -20.985 4.759 1.00 44.43 O HETATM 1198 O HOH 80 3.171 -27.825 -5.126 1.00 64.23 O HETATM 1199 O HOH 81 6.366 -28.834 -0.601 1.00 49.85 O HETATM 1200 O HOH 82 -4.193 -39.276 -4.910 1.00 47.13 O HETATM 1201 O HOH 83 -11.471 -21.030 -17.103 1.00 43.17 O HETATM 1202 O HOH 84 -28.225 -22.978 -9.349 1.00 33.92 O HETATM 1203 O HOH 85 -30.503 -21.216 -8.834 1.00 49.44 O HETATM 1204 O HOH 86 -27.665 -29.680 -5.986 1.00 55.18 O HETATM 1205 O HOH 87 -29.163 -27.901 -4.120 1.00 54.67 O HETATM 1206 O HOH 88 -20.772 -5.472 -11.468 1.00 30.72 O HETATM 1207 O HOH 89 -34.504 -9.278 -6.045 1.00 63.12 O HETATM 1208 O HOH 90 -25.834 -26.474 -12.985 1.00 38.33 O HETATM 1209 O HOH 91 -12.287 -15.516 -7.407 1.00 38.09 O HETATM 1210 O HOH 92 -15.067 -7.875 -1.285 1.00 47.78 O HETATM 1211 O HOH 93 -8.807 -20.091 5.481 1.00 62.14 O HETATM 1212 O HOH 94 -16.786 -32.481 7.052 1.00 44.12 O HETATM 1213 O HOH 95 -14.788 -35.133 4.387 1.00 75.74 O HETATM 1214 O HOH 96 -18.984 -0.355 11.117 1.00 46.41 O HETATM 1215 O HOH 97 -17.953 -1.430 -9.451 1.00 39.88 O HETATM 1216 O HOH 98 -15.950 1.422 -10.563 1.00 73.49 O HETATM 1217 O HOH 99 -20.116 -11.361 7.153 1.00 19.17 O HETATM 1218 O HOH 100 -26.384 -9.090 -11.741 1.00 43.92 O HETATM 1219 O HOH 101 -15.120 -14.900 9.186 1.00 42.80 O HETATM 1220 O HOH 102 -32.710 -16.309 -3.168 1.00 45.35 O HETATM 1221 O HOH 103 -12.841 -8.520 -5.034 1.00 44.73 O HETATM 1222 O HOH 104 -5.318 -25.613 -7.285 1.00 43.54 O HETATM 1223 O HOH 105 -26.675 -8.554 18.198 1.00 37.07 O HETATM 1224 O HOH 106 -33.715 -19.171 7.673 1.00 48.66 O HETATM 1225 O HOH 107 2.459 -33.779 -9.341 1.00 44.61 O HETATM 1226 O HOH 108 -27.473 -4.502 12.039 1.00 41.67 O HETATM 1227 O HOH 109 -14.934 -0.477 -3.608 1.00 63.22 O HETATM 1228 O HOH 110 -18.406 -9.362 -12.156 1.00 45.80 O HETATM 1229 O HOH 111 -31.099 -26.424 -3.072 1.00 65.10 O HETATM 1230 O HOH 112 5.413 -30.944 -8.482 1.00 36.77 O HETATM 1231 O HOH 113 5.011 -37.134 -11.062 1.00 45.52 O HETATM 1232 O HOH 114 -14.500 2.874 -6.166 1.00 51.12 O HETATM 1233 O HOH 115 -32.722 -16.276 -0.632 1.00 53.25 O HETATM 1234 O HOH 116 -34.787 -5.838 -10.649 1.00 58.05 O HETATM 1235 O HOH 117 -16.894 -7.226 -11.960 1.00 46.25 O HETATM 1236 O HOH 118 0.163 -33.670 -7.860 1.00 64.46 O HETATM 1237 O HOH 119 -11.928 -25.342 9.628 1.00 48.06 O HETATM 1238 O HOH 120 -14.536 -5.691 7.749 1.00 51.69 O HETATM 1239 O HOH 121 -5.455 -30.703 -2.107 1.00 61.90 O HETATM 1240 O HOH 122 -12.394 -41.681 -9.577 1.00 42.13 O HETATM 1241 O HOH 123 -28.944 -27.217 -7.007 1.00 70.66 O HETATM 1242 O HOH 124 -6.808 -37.396 -4.273 1.00 44.82 O HETATM 1243 O HOH 125 3.463 -39.930 -9.974 1.00 47.81 O HETATM 1244 O HOH 126 -26.957 -31.322 1.036 1.00 50.61 O HETATM 1245 O HOH 127 -5.128 -21.062 -11.170 1.00 55.22 O HETATM 1246 O HOH 128 -32.883 -19.823 -5.124 1.00 52.86 O HETATM 1247 O HOH 129 -32.194 -8.948 3.728 1.00 49.43 O HETATM 1248 O HOH 130 -17.114 -7.322 14.841 1.00 46.96 O HETATM 1249 O HOH 131 -4.167 -33.165 -13.429 1.00 46.17 O HETATM 1250 O HOH 132 -30.053 -23.371 -4.861 1.00 60.27 O HETATM 1251 O HOH 133 -15.047 -5.519 10.510 1.00 69.90 O HETATM 1252 O HOH 134 -16.860 -3.667 -10.929 1.00 50.28 O HETATM 1253 O HOH 135 -22.936 -3.969 17.687 1.00 47.13 O HETATM 1254 O HOH 136 -12.274 -30.197 11.699 1.00 65.94 O HETATM 1255 O HOH 137 -14.877 -10.082 10.913 1.00 65.78 O HETATM 1256 O HOH 138 -17.568 -13.804 14.362 1.00 62.58 O HETATM 1257 O HOH 139 5.851 -33.731 -1.078 1.00 60.51 O HETATM 1258 O HOH 140 -13.069 -38.366 -0.855 1.00 64.67 O HETATM 1259 O HOH 141 -32.936 -7.135 -3.293 1.00 56.66 O HETATM 1260 O HOH 142 -2.598 -40.296 -9.738 1.00 69.20 O HETATM 1261 O HOH 143 -7.687 -23.722 0.176 1.00 76.02 O HETATM 1262 O HOH 144 -2.842 -35.134 -11.911 1.00 66.08 O HETATM 1263 O HOH 145 -32.616 -25.323 4.594 1.00 56.48 O HETATM 1264 O HOH 146 -12.579 -1.460 -4.506 1.00 65.63 O HETATM 1265 O HOH 147 -24.281 -9.619 18.786 1.00 55.29 O HETATM 1266 O HOH 148 -23.705 -13.857 -12.196 1.00 42.55 O HETATM 1267 O HOH 149 -34.050 -8.972 10.059 1.00 72.05 O HETATM 1268 O HOH 150 -13.048 -7.325 -11.792 1.00 67.10 O HETATM 1269 O HOH 151 -11.048 -12.840 4.375 1.00 57.75 O HETATM 1270 O HOH 152 -14.319 -6.107 5.076 1.00 61.80 O HETATM 1271 O HOH 153 -15.729 -11.712 13.074 1.00 64.35 O HETATM 1272 O HOH 154 -31.132 -4.516 0.790 1.00 42.75 O HETATM 1273 O HOH 155 -6.929 -27.725 2.194 1.00 59.96 O HETATM 1274 O HOH 156 -27.832 -26.745 -11.020 1.00 72.43 O HETATM 1275 O HOH 157 -13.619 -19.601 8.847 1.00 56.69 O HETATM 1276 O HOH 158 -32.923 -12.542 0.046 1.00 56.88 O HETATM 1277 O HOH 159 -27.299 -4.401 17.795 1.00 51.71 O HETATM 1278 O HOH 160 -28.915 -32.216 -0.785 1.00 66.81 O HETATM 1279 O HOH 161 -33.910 -19.875 -7.665 1.00 59.03 O HETATM 1280 O HOH 162 -6.101 -39.105 -12.228 1.00 67.11 O HETATM 1281 O HOH 163 -22.246 -1.883 -16.333 1.00 68.13 O HETATM 1282 O HOH 164 -3.325 -37.799 -12.042 1.00 69.63 O HETATM 1283 O HOH 165 -5.498 -18.569 -8.898 1.00 64.67 O HETATM 1284 O HOH 166 -5.351 -18.692 -1.165 1.00 66.80 O HETATM 1285 O HOH 167 -23.890 -10.903 -6.018 1.00 19.87 O HETATM 1286 O HOH 168 -21.532 -10.783 -3.978 1.00 21.93 O HETATM 1287 O HOH 169 -23.423 -13.192 -2.643 1.00 22.47 O HETATM 1288 O HOH 170 -21.825 -12.024 -0.596 1.00 23.62 O HETATM 1289 O HOH 171 -30.065 -14.864 -2.612 1.00 27.46 O HETATM 1290 O HOH 172 -29.771 -12.269 -3.252 1.00 35.77 O HETATM 1291 O HOH 173 -30.777 -8.709 -3.939 1.00 29.37 O HETATM 1292 O HOH 174 -23.680 -32.525 5.026 1.00 58.34 O HETATM 1293 O HOH 175 -30.867 -11.672 -8.350 1.00 46.76 O HETATM 1294 O HOH 176 -28.077 -28.371 6.420 1.00 59.14 O HETATM 1295 O HOH 177 -23.229 -30.990 7.261 1.00 56.74 O HETATM 1296 O HOH 178 -33.102 -11.939 -6.868 1.00 56.76 O HETATM 1297 O HOH 179 -11.618 -22.275 9.781 1.00 69.70 O HETATM 1298 O HOH 180 -30.276 -31.101 -2.985 1.00 72.00 O HETATM 1299 O HOH 181 -6.707 -27.872 -0.465 1.00 61.47 O HETATM 1300 O HOH 182 -9.144 -22.678 7.128 1.00 72.60 O HETATM 1301 O HOH 183 -7.546 -18.190 2.620 1.00 69.34 O HETATM 1302 O HOH 184 -26.248 -12.184 -12.999 1.00 58.49 O HETATM 1303 O HOH 185 -9.504 -16.855 -9.914 1.00 57.59 O HETATM 1304 O HOH 186 -11.486 -19.020 7.100 1.00 72.23 O HETATM 1305 O HOH 187 -33.445 -10.692 2.045 1.00 52.08 O HETATM 1306 O HOH 188 -28.882 -11.495 -11.804 1.00 63.44 O HETATM 1307 O HOH 189 -22.930 -11.878 -10.572 1.00 26.62 O HETATM 1308 O HOH 190 -15.281 -12.395 7.089 1.00 32.49 O HETATM 1309 O HOH 191 -20.528 -12.452 -11.074 1.00 44.54 O HETATM 1310 O HOH 192 -9.621 -16.552 3.224 1.00 61.38 O HETATM 1311 O HOH 193 -26.744 -3.371 9.700 1.00 42.98 O HETATM 1312 O HOH 194 7.607 -27.586 -10.183 1.00 61.29 O HETATM 1313 O HOH 195 -20.750 -4.790 16.308 1.00 56.80 O HETATM 1314 O HOH 196 -7.251 -14.029 -1.932 1.00 64.99 O HETATM 1315 O HOH 197 -26.201 -7.632 -14.042 1.00 68.04 O HETATM 1316 O HOH 198 -19.595 -3.911 -13.348 1.00 80.23 O HETATM 1317 O HOH 199 -31.794 -9.326 13.973 1.00 72.32 O HETATM 1318 O HOH 200 -33.698 -21.619 -3.045 1.00 77.10 O HETATM 1319 O HOH 201 -34.436 -14.178 -4.212 1.00 66.52 O HETATM 1320 O HOH 202 -21.085 -8.954 16.144 1.00 60.57 O HETATM 1321 O HOH 203 -23.426 -10.738 16.460 1.00 47.06 O HETATM 1322 O HOH 204 -18.698 -35.207 -12.525 1.00 51.41 O HETATM 1323 O HOH 205 -19.880 -33.706 -10.787 1.00 39.63 O HETATM 1324 O HOH 206 -20.724 -14.128 13.838 1.00 38.51 O HETATM 1325 O HOH 207 -20.959 -11.562 13.168 1.00 52.08 O HETATM 1326 O HOH 208 -21.959 -30.376 -16.168 1.00 26.78 O HETATM 1327 O HOH 209 -20.753 -16.641 13.424 1.00 48.25 O HETATM 1328 O HOH 210 -20.625 -30.766 -11.973 1.00 44.95 O HETATM 1329 O HOH 211 -22.155 -28.861 -10.750 1.00 31.35 O HETATM 1330 O HOH 212 -18.724 -30.736 7.756 1.00 48.73 O HETATM 1331 O HOH 213 -21.104 -18.571 -17.129 1.00 40.57 O HETATM 1332 O HOH 214 -22.118 -17.732 -14.767 1.00 45.99 O HETATM 1333 O HOH 215 -15.843 -30.514 14.475 1.00 55.26 O HETATM 1334 O HOH 216 -26.064 -16.761 -12.106 1.00 52.71 O HETATM 1335 O HOH 217 7.133 -27.091 -13.097 1.00 33.67 O HETATM 1336 O HOH 218 -29.102 1.709 -7.159 1.00 49.01 O HETATM 1337 O HOH 219 -19.164 -13.881 -12.943 1.00 41.91 O HETATM 1338 O HOH 220 -20.024 -16.246 -14.627 1.00 45.32 O HETATM 1339 O HOH 221 -28.418 -16.888 -11.127 1.00 36.64 O HETATM 1340 O HOH 222 -21.472 -18.423 15.001 1.00 45.70 O HETATM 1341 O HOH 223 -6.205 -36.074 -14.103 1.00 54.06 O HETATM 1342 O HOH 224 -16.914 -38.509 -5.663 1.00 55.76 O HETATM 1343 O HOH 225 -27.506 -25.056 -7.706 1.00 56.80 O HETATM 1344 O HOH 226 -22.465 -9.323 -0.141 1.00 22.18 O HETATM 1345 O HOH 227 -31.748 -11.251 -4.633 1.00 75.75 O HETATM 1346 O HOH 228 -6.414 -26.413 -2.682 1.00 58.89 O HETATM 1347 O HOH 229 -17.747 -16.534 -15.906 1.00 55.91 O HETATM 1348 O HOH 230 -26.030 -31.126 3.973 1.00 50.90 O HETATM 1349 O HOH 231 -0.142 -38.557 -3.936 1.00 60.44 O HETATM 1350 C01 UNN A 232 -24.795 -11.523 0.643 1.00 0.02 C HETATM 1351 N02 UNN A 232 -25.985 -10.710 0.559 1.00 -0.29 N HETATM 1352 C03 UNN A 232 -25.801 -9.269 0.759 1.00 0.19 C HETATM 1353 C04 UNN A 232 -26.958 -8.378 0.647 1.00 0.11 C HETATM 1354 C05 UNN A 232 -28.333 -8.866 0.419 1.00 0.13 C HETATM 1355 C06 UNN A 232 -29.234 -7.751 0.334 1.00 0.12 C HETATM 1356 C07 UNN A 232 -28.473 -6.456 0.491 1.00 0.02 C HETATM 1357 S08 UNN A 232 -26.886 -6.752 0.687 1.00 -0.06 S HETATM 1358 H UNN A 232 -28.923 -5.465 0.475 1.00 0.06 H HETATM 1359 O09 UNN A 232 -30.577 -7.936 0.147 1.00 -0.33 O HETATM 1360 C10 UNN A 232 -31.064 -9.218 -0.020 1.00 0.09 C HETATM 1361 C11 UNN A 232 -30.227 -10.405 0.461 1.00 0.09 C HETATM 1362 O12 UNN A 232 -28.783 -10.248 0.335 1.00 -0.32 O HETATM 1363 H UNN A 232 -30.524 -11.288 -0.124 1.00 0.06 H HETATM 1364 H UNN A 232 -30.458 -10.574 1.523 1.00 0.06 H HETATM 1365 H UNN A 232 -31.232 -9.360 -1.098 1.00 0.06 H HETATM 1366 H UNN A 232 -32.026 -9.268 0.511 1.00 0.06 H HETATM 1367 O13 UNN A 232 -24.719 -8.739 0.971 1.00 -0.40 O HETATM 1368 H UNN A 232 -26.884 -11.107 0.375 1.00 0.18 H HETATM 1369 H UNN A 232 -25.059 -12.578 0.477 1.00 0.05 H HETATM 1370 H UNN A 232 -24.344 -11.411 1.640 1.00 0.05 H HETATM 1371 H UNN A 232 -24.075 -11.200 -0.124 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1350 1351 1369 1370 1371 CONECT 1351 1350 1352 1368 CONECT 1352 1351 1353 1367 CONECT 1353 1352 1354 1357 CONECT 1354 1353 1355 1362 CONECT 1355 1354 1356 1359 CONECT 1356 1355 1357 1358 CONECT 1357 1353 1356 CONECT 1358 1356 CONECT 1359 1355 1360 CONECT 1360 1359 1361 1365 1366 CONECT 1361 1360 1362 1363 1364 CONECT 1362 1354 1361 CONECT 1363 1361 CONECT 1364 1361 CONECT 1365 1360 CONECT 1366 1360 CONECT 1367 1352 CONECT 1368 1351 CONECT 1369 1350 CONECT 1370 1350 CONECT 1371 1350 MASTER 0 0 0 0 0 0 0 0 1370 1 26 9 END
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Structure:
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Related entries of code: 4nrc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
117aa, >4IR5_1|Chain... *
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PDBbind
117aa, >4IR6_1|Chain... at 100%
4nra
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PDBbind
117aa, >4NRA_1|Chain... at 100%
4nrb
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PDBbind
117aa, >4NRB_1|Chain... at 100%
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107aa, >4QC1_1|Chains... at 98%
4rvr
RCSB PDB
PDBbind
117aa, >4RVR_1|Chain... at 100%
4xua
RCSB PDB
PDBbind
117aa, >4XUA_1|Chain... at 100%
4xub
RCSB PDB
PDBbind
117aa, >4XUB_1|Chain... at 100%
5e73
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PDBbind
116aa, >5E73_1|Chain... at 100%
5e74
RCSB PDB
PDBbind
116aa, >5E74_1|Chain... at 100%
5l8t
RCSB PDB
PDBbind
116aa, >5L8T_1|Chain... at 100%
5l96
RCSB PDB
PDBbind
116aa, >5L96_1|Chain... at 100%
5l97
RCSB PDB
PDBbind
116aa, >5L97_1|Chain... at 100%
5l98
RCSB PDB
PDBbind
116aa, >5L98_1|Chain... at 100%
5l99
RCSB PDB
PDBbind
116aa, >5L99_1|Chain... at 100%
5mge
RCSB PDB
PDBbind
116aa, >5MGE_1|Chain... at 100%
5mgf
RCSB PDB
PDBbind
116aa, >5MGF_1|Chain... at 100%
5mgg
RCSB PDB
PDBbind
116aa, >5MGG_1|Chain... at 100%
5or9
RCSB PDB
PDBbind
117aa, >5OR9_1|Chain... at 100%
5orb
RCSB PDB
PDBbind
117aa, >5ORB_1|Chain... at 100%
6fh6
RCSB PDB
PDBbind
117aa, >6FH6_1|Chain... at 100%
6fh7
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PDBbind
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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
4nrc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B BAZ2B Bromodomain
Ligand Name
2LY
EC.Number
E.C.-.-.-.-
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
IC50=241uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 10183-10187
Ligand Properties
Formula
C
8
H
9
NO
3
S
Molecular Weight
199.227
Exact Mass
199.030
No. of atoms
22
No. of bonds
23
Polar Surface Area
75.8
LOGP Value
0.93 (
Computed with XLOGP3
)
1.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CNC(=O)c1scc2c1OCCO2
InChI String
InChI=1S/C8H9NO3S/c1-9-8(10)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3,(H,9,10)
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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