Browse entries in the PDBbind-CN Database
HEADER 5L96_COMPLEX COMPND 5L96_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 183 31 ATOM 1 N SER A1856 10.695 -29.132 -11.985 1.00 50.62 N ATOM 2 CA SER A1856 11.114 -28.531 -13.246 1.00 49.61 C ATOM 3 C SER A1856 10.996 -29.530 -14.396 1.00 58.05 C ATOM 4 O SER A1856 10.390 -30.593 -14.238 1.00 53.54 O ATOM 5 CB SER A1856 12.546 -28.002 -13.133 1.00 50.76 C ATOM 6 OG SER A1856 13.448 -29.028 -12.769 1.00 51.34 O ATOM 7 HG SER A1856 13.429 -29.741 -13.455 1.00 0.00 H ATOM 8 HN3 SER A1856 11.298 -29.953 -11.777 1.00 0.00 H ATOM 9 HN2 SER A1856 9.704 -29.438 -12.061 1.00 0.00 H ATOM 10 HN1 SER A1856 10.785 -28.432 -11.222 1.00 0.00 H ATOM 11 N MET A1857 11.566 -29.182 -15.549 1.00 49.84 N ATOM 12 CA MET A1857 11.507 -30.035 -16.739 1.00 46.28 C ATOM 13 C MET A1857 12.015 -31.451 -16.452 1.00 48.48 C ATOM 14 O MET A1857 13.154 -31.631 -16.010 1.00 51.77 O ATOM 15 CB MET A1857 12.318 -29.407 -17.882 1.00 48.14 C ATOM 16 CG MET A1857 11.896 -29.857 -19.275 1.00 47.76 C ATOM 17 SD MET A1857 12.967 -29.199 -20.576 1.00 51.85 S ATOM 18 CE MET A1857 13.068 -27.480 -20.124 1.00 62.30 C ATOM 19 H MET A1857 12.070 -28.274 -15.606 1.00 0.00 H ATOM 20 N SER A1858 11.150 -32.441 -16.681 1.00 49.92 N ATOM 21 CA SER A1858 11.456 -33.858 -16.451 1.00 50.75 C ATOM 22 C SER A1858 11.741 -34.181 -14.981 1.00 58.78 C ATOM 23 O SER A1858 12.309 -35.232 -14.667 1.00 60.25 O ATOM 24 CB SER A1858 12.642 -34.310 -17.311 1.00 56.08 C ATOM 25 OG SER A1858 12.487 -33.887 -18.657 1.00 62.65 O ATOM 26 HG SER A1858 13.265 -34.191 -19.189 1.00 0.00 H ATOM 27 H SER A1858 10.206 -32.195 -17.043 1.00 0.00 H ATOM 28 N VAL A1859 11.353 -33.280 -14.082 1.00 56.40 N ATOM 29 CA VAL A1859 11.470 -33.539 -12.649 1.00 56.97 C ATOM 30 C VAL A1859 10.099 -33.370 -12.018 1.00 57.94 C ATOM 31 O VAL A1859 9.692 -32.266 -11.649 1.00 55.09 O ATOM 32 CB VAL A1859 12.494 -32.616 -11.967 1.00 54.15 C ATOM 33 CG1 VAL A1859 12.575 -32.916 -10.472 1.00 53.80 C ATOM 34 CG2 VAL A1859 13.857 -32.791 -12.613 1.00 55.20 C ATOM 35 H VAL A1859 10.959 -32.374 -14.406 1.00 0.00 H ATOM 36 N LYS A1860 9.394 -34.476 -11.919 1.00 61.82 N ATOM 37 CA LYS A1860 8.008 -34.506 -11.517 1.00 65.24 C ATOM 38 C LYS A1860 7.816 -34.604 -10.029 1.00 65.28 C ATOM 39 O LYS A1860 8.443 -35.389 -9.375 1.00 55.53 O ATOM 40 CB LYS A1860 7.330 -35.718 -12.148 1.00 72.99 C ATOM 41 CG LYS A1860 6.515 -35.424 -13.387 1.00 86.98 C ATOM 42 CD LYS A1860 5.498 -36.527 -13.630 1.00 94.84 C ATOM 43 CE LYS A1860 4.079 -36.063 -13.362 1.00 98.46 C ATOM 44 NZ LYS A1860 3.495 -35.318 -14.508 1.00101.03 N ATOM 45 HZ1 LYS A1860 4.075 -34.477 -14.705 1.00 0.00 H ATOM 46 HZ2 LYS A1860 3.478 -35.933 -15.347 1.00 0.00 H ATOM 47 HZ3 LYS A1860 2.526 -35.025 -14.271 1.00 0.00 H ATOM 48 H LYS A1860 9.861 -35.378 -12.143 1.00 0.00 H ATOM 49 N LYS A1861 6.902 -33.810 -9.522 1.00 70.20 N ATOM 50 CA LYS A1861 6.528 -33.865 -8.122 1.00 72.02 C ATOM 51 C LYS A1861 5.320 -34.785 -7.990 1.00 71.81 C ATOM 52 O LYS A1861 4.414 -34.736 -8.820 1.00 75.50 O ATOM 53 CB LYS A1861 6.219 -32.457 -7.600 1.00 75.17 C ATOM 54 CG LYS A1861 6.071 -32.341 -6.091 1.00 80.55 C ATOM 55 CD LYS A1861 5.965 -30.874 -5.678 1.00 86.23 C ATOM 56 CE LYS A1861 5.830 -30.714 -4.167 1.00 87.47 C ATOM 57 NZ LYS A1861 5.858 -29.279 -3.760 1.00 91.04 N ATOM 58 HZ1 LYS A1861 6.760 -28.854 -4.056 1.00 0.00 H ATOM 59 HZ2 LYS A1861 5.070 -28.775 -4.215 1.00 0.00 H ATOM 60 HZ3 LYS A1861 5.764 -29.211 -2.727 1.00 0.00 H ATOM 61 H LYS A1861 6.432 -33.121 -10.143 1.00 0.00 H ATOM 62 N PRO A1862 5.318 -35.656 -6.971 1.00 76.58 N ATOM 63 CA PRO A1862 4.135 -36.484 -6.719 1.00 74.30 C ATOM 64 C PRO A1862 2.916 -35.606 -6.478 1.00 76.42 C ATOM 65 O PRO A1862 2.978 -34.698 -5.651 1.00 74.96 O ATOM 66 CB PRO A1862 4.514 -37.272 -5.460 1.00 74.20 C ATOM 67 CG PRO A1862 6.000 -37.300 -5.471 1.00 77.46 C ATOM 68 CD PRO A1862 6.425 -35.986 -6.061 1.00 79.47 C ATOM 69 N LYS A1863 1.831 -35.923 -7.149 1.00 83.15 N ATOM 70 CA LYS A1863 0.645 -35.118 -7.031 1.00 89.44 C ATOM 71 C LYS A1863 -0.559 -35.912 -6.573 1.00 83.13 C ATOM 72 O LYS A1863 -0.721 -37.068 -6.916 1.00 81.04 O ATOM 73 CB LYS A1863 0.363 -34.425 -8.356 1.00 92.69 C ATOM 74 CG LYS A1863 -0.885 -33.564 -8.352 1.00 99.62 C ATOM 75 CD LYS A1863 -0.824 -32.412 -7.360 1.00102.56 C ATOM 76 CE LYS A1863 -2.015 -31.482 -7.511 1.00103.19 C ATOM 77 NZ LYS A1863 -2.104 -30.471 -6.429 1.00102.70 N ATOM 78 HZ1 LYS A1863 -2.194 -30.953 -5.512 1.00 0.00 H ATOM 79 HZ2 LYS A1863 -1.244 -29.886 -6.431 1.00 0.00 H ATOM 80 HZ3 LYS A1863 -2.936 -29.867 -6.588 1.00 0.00 H ATOM 81 H LYS A1863 1.830 -36.759 -7.768 1.00 0.00 H ATOM 82 N ARG A1864 -1.407 -35.267 -5.794 1.00 78.80 N ATOM 83 CA ARG A1864 -2.554 -35.958 -5.224 1.00 78.36 C ATOM 84 C ARG A1864 -3.559 -36.388 -6.288 1.00 76.50 C ATOM 85 O ARG A1864 -3.598 -35.835 -7.388 1.00 74.55 O ATOM 86 CB ARG A1864 -3.246 -35.070 -4.185 1.00 77.01 C ATOM 87 CG ARG A1864 -3.619 -33.695 -4.701 1.00 73.20 C ATOM 88 CD ARG A1864 -4.322 -32.863 -3.635 1.00 74.71 C ATOM 89 NE ARG A1864 -5.646 -33.382 -3.296 1.00 71.44 N ATOM 90 CZ ARG A1864 -6.721 -33.266 -4.073 1.00 66.89 C ATOM 91 NH1 ARG A1864 -7.881 -33.767 -3.667 1.00 55.58 N ATOM 92 NH2 ARG A1864 -6.640 -32.661 -5.259 1.00 59.21 N ATOM 93 HE ARG A1864 -5.756 -33.875 -2.387 1.00 0.00 H ATOM 94 HH12 ARG A1864 -8.724 -33.680 -4.269 1.00 0.00 H ATOM 95 HH11 ARG A1864 -7.947 -34.247 -2.747 1.00 0.00 H ATOM 96 HH22 ARG A1864 -7.486 -32.576 -5.858 1.00 0.00 H ATOM 97 HH21 ARG A1864 -5.731 -32.275 -5.585 1.00 0.00 H ATOM 98 H ARG A1864 -1.255 -34.259 -5.586 1.00 0.00 H ATOM 99 N ASP A1865 -4.361 -37.391 -5.944 1.00 75.99 N ATOM 100 CA ASP A1865 -5.445 -37.851 -6.799 1.00 72.58 C ATOM 101 C ASP A1865 -6.567 -36.815 -6.793 1.00 68.65 C ATOM 102 O ASP A1865 -7.175 -36.549 -5.755 1.00 66.10 O ATOM 103 CB ASP A1865 -5.955 -39.215 -6.327 1.00 75.22 C ATOM 104 CG ASP A1865 -7.038 -39.781 -7.227 1.00 79.62 C ATOM 105 OD1 ASP A1865 -7.176 -39.307 -8.376 1.00 78.44 O ATOM 106 OD2 ASP A1865 -7.746 -40.711 -6.784 1.00 83.29 O ATOM 107 H ASP A1865 -4.208 -37.864 -5.031 1.00 0.00 H ATOM 108 N ASP A1866 -6.832 -36.224 -7.953 1.00 61.63 N ATOM 109 CA ASP A1866 -7.814 -35.152 -8.045 1.00 61.46 C ATOM 110 C ASP A1866 -9.099 -35.613 -8.726 1.00 55.01 C ATOM 111 O ASP A1866 -9.998 -34.812 -8.985 1.00 54.63 O ATOM 112 CB ASP A1866 -7.220 -33.956 -8.794 1.00 63.73 C ATOM 113 CG ASP A1866 -6.753 -34.315 -10.190 1.00 69.06 C ATOM 114 OD1 ASP A1866 -6.698 -35.520 -10.511 1.00 72.56 O ATOM 115 OD2 ASP A1866 -6.429 -33.392 -10.964 1.00 72.68 O ATOM 116 H ASP A1866 -6.330 -36.532 -8.810 1.00 0.00 H ATOM 117 N SER A1867 -9.187 -36.909 -8.997 1.00 52.47 N ATOM 118 CA SER A1867 -10.293 -37.455 -9.778 1.00 53.12 C ATOM 119 C SER A1867 -11.645 -37.339 -9.081 1.00 57.25 C ATOM 120 O SER A1867 -12.688 -37.448 -9.723 1.00 55.68 O ATOM 121 CB SER A1867 -10.021 -38.917 -10.112 1.00 53.72 C ATOM 122 OG SER A1867 -9.954 -39.694 -8.933 1.00 60.63 O ATOM 123 HG SER A1867 -9.224 -39.355 -8.357 1.00 0.00 H ATOM 124 H SER A1867 -8.450 -37.552 -8.644 1.00 0.00 H ATOM 125 N LYS A1868 -11.638 -37.118 -7.773 1.00 64.53 N ATOM 126 CA LYS A1868 -12.892 -37.045 -7.037 1.00 49.73 C ATOM 127 C LYS A1868 -13.232 -35.623 -6.624 1.00 52.80 C ATOM 128 O LYS A1868 -14.251 -35.394 -5.978 1.00 49.05 O ATOM 129 CB LYS A1868 -12.838 -37.951 -5.807 1.00 64.23 C ATOM 130 CG LYS A1868 -12.858 -39.443 -6.132 1.00 61.97 C ATOM 131 CD LYS A1868 -14.163 -40.083 -5.675 1.00 71.85 C ATOM 132 CE LYS A1868 -14.182 -41.594 -5.919 1.00 82.40 C ATOM 133 NZ LYS A1868 -14.300 -41.948 -7.363 1.00 81.01 N ATOM 134 HZ1 LYS A1868 -15.184 -41.554 -7.744 1.00 0.00 H ATOM 135 HZ2 LYS A1868 -13.490 -41.553 -7.883 1.00 0.00 H ATOM 136 HZ3 LYS A1868 -14.308 -42.983 -7.465 1.00 0.00 H ATOM 137 H LYS A1868 -10.735 -36.997 -7.272 1.00 0.00 H ATOM 138 N ASP A1869 -12.386 -34.670 -7.012 1.00 41.14 N ATOM 139 CA ASP A1869 -12.526 -33.281 -6.565 1.00 44.63 C ATOM 140 C ASP A1869 -13.852 -32.654 -6.982 1.00 45.86 C ATOM 141 O ASP A1869 -14.498 -31.975 -6.183 1.00 52.78 O ATOM 142 CB ASP A1869 -11.365 -32.431 -7.095 1.00 39.96 C ATOM 143 CG ASP A1869 -10.057 -32.728 -6.387 1.00 51.56 C ATOM 144 OD1 ASP A1869 -10.023 -33.679 -5.580 1.00 54.10 O ATOM 145 OD2 ASP A1869 -9.065 -32.013 -6.639 1.00 55.16 O ATOM 146 H ASP A1869 -11.604 -34.919 -7.650 1.00 0.00 H ATOM 147 N LEU A1870 -14.252 -32.882 -8.231 1.00 42.05 N ATOM 148 CA LEU A1870 -15.484 -32.301 -8.754 1.00 48.38 C ATOM 149 C LEU A1870 -16.677 -32.748 -7.920 1.00 49.65 C ATOM 150 O LEU A1870 -17.482 -31.929 -7.478 1.00 52.27 O ATOM 151 CB LEU A1870 -15.691 -32.684 -10.224 1.00 49.53 C ATOM 152 CG LEU A1870 -17.000 -32.217 -10.864 1.00 50.16 C ATOM 153 CD1 LEU A1870 -17.060 -30.695 -10.907 1.00 53.63 C ATOM 154 CD2 LEU A1870 -17.156 -32.808 -12.259 1.00 56.20 C ATOM 155 H LEU A1870 -13.674 -33.488 -8.848 1.00 0.00 H ATOM 156 N ALA A1871 -16.767 -34.052 -7.694 1.00 46.01 N ATOM 157 CA ALA A1871 -17.859 -34.632 -6.924 1.00 48.68 C ATOM 158 C ALA A1871 -17.858 -34.151 -5.468 1.00 50.86 C ATOM 159 O ALA A1871 -18.915 -33.895 -4.889 1.00 55.20 O ATOM 160 CB ALA A1871 -17.782 -36.156 -6.982 1.00 40.07 C ATOM 161 H ALA A1871 -16.034 -34.681 -8.079 1.00 0.00 H ATOM 162 N LEU A1872 -16.672 -34.029 -4.880 1.00 47.21 N ATOM 163 CA LEU A1872 -16.556 -33.585 -3.494 1.00 49.08 C ATOM 164 C LEU A1872 -16.903 -32.104 -3.354 1.00 48.07 C ATOM 165 O LEU A1872 -17.558 -31.704 -2.390 1.00 44.54 O ATOM 166 CB LEU A1872 -15.148 -33.850 -2.960 1.00 47.26 C ATOM 167 CG LEU A1872 -14.802 -35.331 -2.795 1.00 52.17 C ATOM 168 CD1 LEU A1872 -13.302 -35.530 -2.661 1.00 52.92 C ATOM 169 CD2 LEU A1872 -15.532 -35.910 -1.586 1.00 53.53 C ATOM 170 H LEU A1872 -15.811 -34.254 -5.417 1.00 0.00 H ATOM 171 N CYS A1873 -16.465 -31.292 -4.314 1.00 36.26 N ATOM 172 CA CYS A1873 -16.780 -29.867 -4.296 1.00 43.54 C ATOM 173 C CYS A1873 -18.285 -29.674 -4.428 1.00 47.93 C ATOM 174 O CYS A1873 -18.875 -28.812 -3.767 1.00 48.53 O ATOM 175 CB CYS A1873 -16.041 -29.117 -5.410 1.00 43.69 C ATOM 176 SG CYS A1873 -14.309 -28.725 -5.014 1.00 43.13 S ATOM 177 H CYS A1873 -15.889 -31.679 -5.089 1.00 0.00 H ATOM 178 N SER A1874 -18.905 -30.500 -5.263 1.00 45.52 N ATOM 179 CA SER A1874 -20.349 -30.446 -5.449 1.00 47.28 C ATOM 180 C SER A1874 -21.083 -30.808 -4.164 1.00 50.56 C ATOM 181 O SER A1874 -22.047 -30.136 -3.787 1.00 48.75 O ATOM 182 CB SER A1874 -20.784 -31.372 -6.584 1.00 45.76 C ATOM 183 OG SER A1874 -22.187 -31.311 -6.764 1.00 49.17 O ATOM 184 HG SER A1874 -22.638 -31.591 -5.929 1.00 0.00 H ATOM 185 H SER A1874 -18.349 -31.199 -5.795 1.00 0.00 H ATOM 186 N MET A1875 -20.627 -31.860 -3.489 1.00 52.61 N ATOM 187 CA MET A1875 -21.264 -32.272 -2.242 1.00 49.76 C ATOM 188 C MET A1875 -21.095 -31.191 -1.171 1.00 47.97 C ATOM 189 O MET A1875 -22.004 -30.965 -0.369 1.00 49.78 O ATOM 190 CB MET A1875 -20.713 -33.624 -1.755 1.00 51.84 C ATOM 191 CG MET A1875 -19.486 -33.562 -0.850 1.00 53.37 C ATOM 192 SD MET A1875 -19.667 -34.498 0.687 1.00 84.63 S ATOM 193 CE MET A1875 -18.058 -34.246 1.435 1.00 52.69 C ATOM 194 H MET A1875 -19.811 -32.393 -3.852 1.00 0.00 H ATOM 195 N ILE A1876 -19.955 -30.505 -1.172 1.00 43.58 N ATOM 196 CA ILE A1876 -19.718 -29.436 -0.209 1.00 49.56 C ATOM 197 C ILE A1876 -20.618 -28.242 -0.504 1.00 47.95 C ATOM 198 O ILE A1876 -21.178 -27.640 0.414 1.00 48.75 O ATOM 199 CB ILE A1876 -18.236 -28.991 -0.194 1.00 47.62 C ATOM 200 CG1 ILE A1876 -17.375 -30.089 0.438 1.00 44.63 C ATOM 201 CG2 ILE A1876 -18.066 -27.705 0.603 1.00 44.98 C ATOM 202 CD1 ILE A1876 -15.909 -29.737 0.526 1.00 44.66 C ATOM 203 H ILE A1876 -19.221 -30.735 -1.871 1.00 0.00 H ATOM 204 N LEU A1877 -20.770 -27.917 -1.784 1.00 42.11 N ATOM 205 CA LEU A1877 -21.626 -26.805 -2.189 1.00 39.90 C ATOM 206 C LEU A1877 -23.082 -27.095 -1.840 1.00 42.11 C ATOM 207 O LEU A1877 -23.809 -26.201 -1.414 1.00 40.41 O ATOM 208 CB LEU A1877 -21.489 -26.520 -3.689 1.00 36.28 C ATOM 209 CG LEU A1877 -22.288 -25.324 -4.202 1.00 38.34 C ATOM 210 CD1 LEU A1877 -21.861 -24.032 -3.493 1.00 32.48 C ATOM 211 CD2 LEU A1877 -22.130 -25.188 -5.719 1.00 39.91 C ATOM 212 H LEU A1877 -20.269 -28.466 -2.512 1.00 0.00 H ATOM 213 N THR A1878 -23.505 -28.347 -2.009 1.00 39.12 N ATOM 214 CA THR A1878 -24.869 -28.735 -1.652 1.00 45.02 C ATOM 215 C THR A1878 -25.123 -28.527 -0.164 1.00 45.59 C ATOM 216 O THR A1878 -26.193 -28.075 0.235 1.00 48.83 O ATOM 217 CB THR A1878 -25.164 -30.203 -1.996 1.00 51.15 C ATOM 218 OG1 THR A1878 -24.980 -30.411 -3.396 1.00 50.87 O ATOM 219 CG2 THR A1878 -26.602 -30.561 -1.618 1.00 49.55 C ATOM 220 HG1 THR A1878 -25.171 -31.357 -3.616 1.00 0.00 H ATOM 221 H THR A1878 -22.856 -29.059 -2.401 1.00 0.00 H ATOM 222 N GLU A1879 -24.134 -28.849 0.658 1.00 46.40 N ATOM 223 CA GLU A1879 -24.291 -28.681 2.099 1.00 51.68 C ATOM 224 C GLU A1879 -24.389 -27.194 2.432 1.00 47.88 C ATOM 225 O GLU A1879 -25.160 -26.801 3.300 1.00 47.28 O ATOM 226 CB GLU A1879 -23.141 -29.350 2.852 1.00 50.48 C ATOM 227 CG GLU A1879 -23.073 -30.849 2.610 1.00 61.14 C ATOM 228 CD GLU A1879 -22.098 -31.557 3.522 1.00 75.28 C ATOM 229 OE1 GLU A1879 -20.991 -31.904 3.059 1.00 82.45 O ATOM 230 OE2 GLU A1879 -22.446 -31.776 4.701 1.00 84.54 O ATOM 231 H GLU A1879 -23.243 -29.223 0.274 1.00 0.00 H ATOM 232 N MET A1880 -23.632 -26.371 1.709 1.00 44.56 N ATOM 233 CA MET A1880 -23.711 -24.915 1.851 1.00 45.33 C ATOM 234 C MET A1880 -25.113 -24.414 1.523 1.00 50.84 C ATOM 235 O MET A1880 -25.718 -23.668 2.289 1.00 44.03 O ATOM 236 CB MET A1880 -22.704 -24.226 0.930 1.00 46.07 C ATOM 237 CG MET A1880 -21.283 -24.685 1.111 1.00 50.06 C ATOM 238 SD MET A1880 -20.561 -24.009 2.603 1.00 61.89 S ATOM 239 CE MET A1880 -20.198 -22.354 2.006 1.00 52.16 C ATOM 240 H MET A1880 -22.964 -26.774 1.022 1.00 0.00 H ATOM 241 N GLU A1881 -25.614 -24.844 0.367 1.00 47.99 N ATOM 242 CA GLU A1881 -26.913 -24.427 -0.145 1.00 46.57 C ATOM 243 C GLU A1881 -28.069 -24.777 0.790 1.00 51.52 C ATOM 244 O GLU A1881 -29.060 -24.052 0.854 1.00 48.51 O ATOM 245 CB GLU A1881 -27.148 -25.054 -1.525 1.00 39.08 C ATOM 246 CG GLU A1881 -26.231 -24.495 -2.614 1.00 44.08 C ATOM 247 CD GLU A1881 -26.272 -25.305 -3.915 1.00 51.34 C ATOM 248 OE1 GLU A1881 -26.652 -26.494 -3.891 1.00 50.97 O ATOM 249 OE2 GLU A1881 -25.911 -24.751 -4.971 1.00 54.80 O ATOM 250 H GLU A1881 -25.050 -25.510 -0.199 1.00 0.00 H ATOM 251 N THR A1882 -27.938 -25.882 1.518 1.00 47.12 N ATOM 252 CA THR A1882 -29.010 -26.351 2.396 1.00 49.69 C ATOM 253 C THR A1882 -28.870 -25.883 3.852 1.00 53.02 C ATOM 254 O THR A1882 -29.701 -26.217 4.697 1.00 50.96 O ATOM 255 CB THR A1882 -29.086 -27.883 2.389 1.00 52.23 C ATOM 256 OG1 THR A1882 -27.877 -28.414 2.940 1.00 60.95 O ATOM 257 CG2 THR A1882 -29.255 -28.397 0.968 1.00 53.59 C ATOM 258 HG1 THR A1882 -27.108 -28.116 2.393 1.00 0.00 H ATOM 259 H THR A1882 -27.053 -26.425 1.462 1.00 0.00 H ATOM 260 N HIS A1883 -27.815 -25.128 4.144 1.00 49.75 N ATOM 261 CA HIS A1883 -27.610 -24.559 5.480 1.00 48.17 C ATOM 262 C HIS A1883 -28.685 -23.496 5.717 1.00 49.55 C ATOM 263 O HIS A1883 -28.999 -22.729 4.810 1.00 48.82 O ATOM 264 CB HIS A1883 -26.198 -23.968 5.590 1.00 44.94 C ATOM 265 CG HIS A1883 -25.767 -23.629 6.986 1.00 45.99 C ATOM 266 ND1 HIS A1883 -26.487 -22.792 7.811 1.00 43.44 N ATOM 267 CD2 HIS A1883 -24.655 -23.972 7.681 1.00 43.12 C ATOM 268 CE1 HIS A1883 -25.855 -22.660 8.965 1.00 42.49 C ATOM 269 NE2 HIS A1883 -24.735 -23.359 8.908 1.00 43.90 N ATOM 270 H HIS A1883 -27.113 -24.935 3.401 1.00 0.00 H ATOM 271 N GLU A1884 -29.268 -23.453 6.911 1.00 49.26 N ATOM 272 CA GLU A1884 -30.378 -22.531 7.151 1.00 49.54 C ATOM 273 C GLU A1884 -29.936 -21.072 7.019 1.00 47.95 C ATOM 274 O GLU A1884 -30.741 -20.203 6.681 1.00 49.86 O ATOM 275 CB GLU A1884 -31.018 -22.779 8.529 1.00 59.21 C ATOM 276 CG GLU A1884 -30.294 -22.176 9.719 1.00 61.62 C ATOM 277 CD GLU A1884 -31.152 -22.155 10.987 1.00 71.37 C ATOM 278 OE1 GLU A1884 -30.917 -22.993 11.886 1.00 70.37 O ATOM 279 OE2 GLU A1884 -32.054 -21.293 11.093 1.00 70.60 O ATOM 280 H GLU A1884 -28.935 -24.075 7.675 1.00 0.00 H ATOM 281 N ASP A1885 -28.655 -20.809 7.262 1.00 43.48 N ATOM 282 CA ASP A1885 -28.115 -19.459 7.118 1.00 44.99 C ATOM 283 C ASP A1885 -27.594 -19.164 5.705 1.00 47.10 C ATOM 284 O ASP A1885 -26.836 -18.215 5.521 1.00 47.74 O ATOM 285 CB ASP A1885 -26.983 -19.222 8.122 1.00 39.92 C ATOM 286 CG ASP A1885 -27.458 -19.248 9.573 1.00 45.14 C ATOM 287 OD1 ASP A1885 -28.685 -19.234 9.824 1.00 44.73 O ATOM 288 OD2 ASP A1885 -26.591 -19.274 10.469 1.00 46.84 O ATOM 289 H ASP A1885 -28.025 -21.580 7.561 1.00 0.00 H ATOM 290 N ALA A1886 -27.979 -19.969 4.715 1.00 38.78 N ATOM 291 CA ALA A1886 -27.499 -19.762 3.339 1.00 43.69 C ATOM 292 C ALA A1886 -28.302 -18.721 2.556 1.00 43.41 C ATOM 293 O ALA A1886 -27.873 -18.276 1.481 1.00 45.72 O ATOM 294 CB ALA A1886 -27.502 -21.078 2.572 1.00 38.79 C ATOM 295 H ALA A1886 -28.629 -20.755 4.918 1.00 0.00 H ATOM 296 N TRP A1887 -29.461 -18.335 3.086 1.00 38.75 N ATOM 297 CA TRP A1887 -30.399 -17.480 2.354 1.00 41.63 C ATOM 298 C TRP A1887 -29.843 -16.151 1.813 1.00 47.72 C ATOM 299 O TRP A1887 -30.312 -15.674 0.769 1.00 49.81 O ATOM 300 CB TRP A1887 -31.629 -17.181 3.219 1.00 48.24 C ATOM 301 CG TRP A1887 -31.348 -16.504 4.526 1.00 50.74 C ATOM 302 CD1 TRP A1887 -31.092 -17.112 5.722 1.00 53.87 C ATOM 303 CD2 TRP A1887 -31.325 -15.091 4.781 1.00 51.21 C ATOM 304 NE1 TRP A1887 -30.899 -16.168 6.701 1.00 51.42 N ATOM 305 CE2 TRP A1887 -31.032 -14.919 6.150 1.00 52.40 C ATOM 306 CE3 TRP A1887 -31.504 -13.955 3.983 1.00 52.43 C ATOM 307 CZ2 TRP A1887 -30.921 -13.657 6.741 1.00 46.55 C ATOM 308 CZ3 TRP A1887 -31.393 -12.704 4.569 1.00 53.82 C ATOM 309 CH2 TRP A1887 -31.102 -12.566 5.937 1.00 52.11 C ATOM 310 HE1 TRP A1887 -30.686 -16.368 7.699 1.00 0.00 H ATOM 311 H TRP A1887 -29.707 -18.649 4.046 1.00 0.00 H ATOM 312 N PRO A1888 -28.850 -15.541 2.492 1.00 43.31 N ATOM 313 CA PRO A1888 -28.405 -14.303 1.843 1.00 45.74 C ATOM 314 C PRO A1888 -27.509 -14.542 0.619 1.00 43.44 C ATOM 315 O PRO A1888 -27.194 -13.585 -0.081 1.00 41.64 O ATOM 316 CB PRO A1888 -27.610 -13.584 2.951 1.00 40.82 C ATOM 317 CG PRO A1888 -27.929 -14.309 4.224 1.00 44.50 C ATOM 318 CD PRO A1888 -28.193 -15.725 3.799 1.00 41.88 C ATOM 319 N PHE A1889 -27.115 -15.789 0.367 1.00 37.90 N ATOM 320 CA PHE A1889 -26.040 -16.061 -0.585 1.00 42.09 C ATOM 321 C PHE A1889 -26.458 -16.960 -1.744 1.00 41.81 C ATOM 322 O PHE A1889 -25.636 -17.317 -2.598 1.00 44.48 O ATOM 323 CB PHE A1889 -24.853 -16.684 0.158 1.00 34.77 C ATOM 324 CG PHE A1889 -24.503 -15.959 1.432 1.00 43.06 C ATOM 325 CD1 PHE A1889 -23.914 -14.706 1.387 1.00 40.44 C ATOM 326 CD2 PHE A1889 -24.777 -16.524 2.676 1.00 39.70 C ATOM 327 CE1 PHE A1889 -23.599 -14.024 2.558 1.00 42.46 C ATOM 328 CE2 PHE A1889 -24.467 -15.848 3.847 1.00 38.55 C ATOM 329 CZ PHE A1889 -23.875 -14.596 3.786 1.00 41.38 C ATOM 330 H PHE A1889 -27.579 -16.581 0.855 1.00 0.00 H ATOM 331 N LEU A1890 -27.736 -17.320 -1.775 1.00 43.31 N ATOM 332 CA LEU A1890 -28.227 -18.289 -2.747 1.00 44.64 C ATOM 333 C LEU A1890 -28.233 -17.700 -4.148 1.00 47.10 C ATOM 334 O LEU A1890 -27.869 -18.378 -5.101 1.00 51.26 O ATOM 335 CB LEU A1890 -29.627 -18.773 -2.365 1.00 46.47 C ATOM 336 CG LEU A1890 -29.696 -19.565 -1.050 1.00 54.15 C ATOM 337 CD1 LEU A1890 -31.122 -19.995 -0.744 1.00 50.80 C ATOM 338 CD2 LEU A1890 -28.764 -20.774 -1.092 1.00 55.09 C ATOM 339 H LEU A1890 -28.400 -16.902 -1.092 1.00 0.00 H ATOM 340 N LEU A1891 -28.624 -16.428 -4.255 1.00 48.09 N ATOM 341 CA LEU A1891 -28.750 -15.747 -5.545 1.00 49.30 C ATOM 342 C LEU A1891 -27.869 -14.497 -5.597 1.00 50.19 C ATOM 343 O LEU A1891 -27.446 -13.995 -4.553 1.00 48.36 O ATOM 344 CB LEU A1891 -30.211 -15.371 -5.806 1.00 53.25 C ATOM 345 CG LEU A1891 -31.207 -16.519 -5.963 1.00 51.25 C ATOM 346 CD1 LEU A1891 -32.589 -15.955 -6.272 1.00 48.32 C ATOM 347 CD2 LEU A1891 -30.752 -17.481 -7.052 1.00 54.48 C ATOM 348 H LEU A1891 -28.848 -15.900 -3.388 1.00 0.00 H ATOM 349 N PRO A1892 -27.580 -13.991 -6.812 1.00 48.46 N ATOM 350 CA PRO A1892 -26.804 -12.749 -6.897 1.00 47.51 C ATOM 351 C PRO A1892 -27.464 -11.631 -6.109 1.00 46.36 C ATOM 352 O PRO A1892 -28.692 -11.565 -6.062 1.00 51.10 O ATOM 353 CB PRO A1892 -26.811 -12.423 -8.394 1.00 44.27 C ATOM 354 CG PRO A1892 -27.016 -13.737 -9.052 1.00 50.17 C ATOM 355 CD PRO A1892 -27.900 -14.531 -8.145 1.00 48.84 C ATOM 356 N VAL A1893 -26.671 -10.771 -5.488 1.00 46.44 N ATOM 357 CA VAL A1893 -27.248 -9.597 -4.858 1.00 47.03 C ATOM 358 C VAL A1893 -27.900 -8.760 -5.957 1.00 57.64 C ATOM 359 O VAL A1893 -27.284 -8.489 -6.990 1.00 55.28 O ATOM 360 CB VAL A1893 -26.198 -8.778 -4.093 1.00 49.71 C ATOM 361 CG1 VAL A1893 -26.771 -7.433 -3.680 1.00 46.75 C ATOM 362 CG2 VAL A1893 -25.711 -9.557 -2.873 1.00 50.23 C ATOM 363 H VAL A1893 -25.645 -10.935 -5.452 1.00 0.00 H ATOM 364 N ASN A1894 -29.160 -8.395 -5.749 1.00 58.35 N ATOM 365 CA ASN A1894 -29.909 -7.624 -6.730 1.00 53.17 C ATOM 366 C ASN A1894 -29.344 -6.212 -6.825 1.00 63.87 C ATOM 367 O ASN A1894 -29.541 -5.388 -5.921 1.00 61.59 O ATOM 368 CB ASN A1894 -31.393 -7.598 -6.359 1.00 54.69 C ATOM 369 CG ASN A1894 -32.267 -7.020 -7.455 1.00 65.89 C ATOM 370 OD1 ASN A1894 -31.870 -6.102 -8.173 1.00 70.57 O ATOM 371 ND2 ASN A1894 -33.473 -7.555 -7.584 1.00 72.51 N ATOM 372 HD22 ASN A1894 -33.768 -8.330 -6.956 1.00 0.00 H ATOM 373 HD21 ASN A1894 -34.124 -7.200 -8.313 1.00 0.00 H ATOM 374 H ASN A1894 -29.625 -8.668 -4.860 1.00 0.00 H ATOM 375 N LEU A1895 -28.646 -5.934 -7.925 1.00 58.45 N ATOM 376 CA LEU A1895 -27.920 -4.675 -8.067 1.00 65.28 C ATOM 377 C LEU A1895 -28.850 -3.475 -8.168 1.00 68.21 C ATOM 378 O LEU A1895 -28.461 -2.355 -7.846 1.00 73.34 O ATOM 379 CB LEU A1895 -26.997 -4.722 -9.287 1.00 67.82 C ATOM 380 CG LEU A1895 -25.877 -5.763 -9.199 1.00 65.63 C ATOM 381 CD1 LEU A1895 -24.871 -5.571 -10.317 1.00 62.99 C ATOM 382 CD2 LEU A1895 -25.188 -5.707 -7.835 1.00 67.79 C ATOM 383 H LEU A1895 -28.618 -6.628 -8.699 1.00 0.00 H ATOM 384 N LYS A1896 -30.083 -3.698 -8.573 1.00 69.29 N ATOM 385 CA LYS A1896 -31.022 -2.612 -8.712 1.00 81.78 C ATOM 386 C LYS A1896 -31.772 -2.373 -7.426 1.00 81.73 C ATOM 387 O LYS A1896 -32.458 -1.387 -7.276 1.00 89.20 O ATOM 388 CB LYS A1896 -32.017 -2.890 -9.840 1.00 87.47 C ATOM 389 CG LYS A1896 -31.399 -3.180 -11.199 1.00 89.74 C ATOM 390 CD LYS A1896 -30.114 -2.396 -11.433 1.00 91.17 C ATOM 391 CE LYS A1896 -29.465 -2.744 -12.768 1.00 92.66 C ATOM 392 NZ LYS A1896 -27.993 -2.502 -12.770 1.00 99.62 N ATOM 393 HZ1 LYS A1896 -27.808 -1.497 -12.576 1.00 0.00 H ATOM 394 HZ2 LYS A1896 -27.546 -3.086 -12.035 1.00 0.00 H ATOM 395 HZ3 LYS A1896 -27.603 -2.755 -13.700 1.00 0.00 H ATOM 396 H LYS A1896 -30.383 -4.669 -8.795 1.00 0.00 H ATOM 397 N LEU A1897 -31.640 -3.290 -6.497 1.00 75.99 N ATOM 398 CA LEU A1897 -32.372 -3.228 -5.241 1.00 75.69 C ATOM 399 C LEU A1897 -31.478 -2.737 -4.111 1.00 72.75 C ATOM 400 O LEU A1897 -31.946 -2.090 -3.180 1.00 77.35 O ATOM 401 CB LEU A1897 -32.953 -4.606 -4.900 1.00 76.93 C ATOM 402 CG LEU A1897 -33.810 -4.820 -3.647 1.00 81.35 C ATOM 403 CD1 LEU A1897 -34.788 -5.956 -3.882 1.00 82.23 C ATOM 404 CD2 LEU A1897 -32.962 -5.129 -2.423 1.00 82.37 C ATOM 405 H LEU A1897 -30.992 -4.086 -6.664 1.00 0.00 H ATOM 406 N VAL A1898 -30.191 -3.057 -4.184 1.00 65.27 N ATOM 407 CA VAL A1898 -29.275 -2.709 -3.107 1.00 61.88 C ATOM 408 C VAL A1898 -28.380 -1.556 -3.518 1.00 64.90 C ATOM 409 O VAL A1898 -27.476 -1.729 -4.337 1.00 65.54 O ATOM 410 CB VAL A1898 -28.400 -3.908 -2.685 1.00 61.51 C ATOM 411 CG1 VAL A1898 -27.569 -3.552 -1.467 1.00 59.79 C ATOM 412 CG2 VAL A1898 -29.267 -5.123 -2.394 1.00 57.60 C ATOM 413 H VAL A1898 -29.833 -3.562 -5.020 1.00 0.00 H ATOM 414 N PRO A1899 -28.633 -0.371 -2.943 1.00 73.61 N ATOM 415 CA PRO A1899 -27.854 0.836 -3.229 1.00 80.65 C ATOM 416 C PRO A1899 -26.387 0.658 -2.873 1.00 73.97 C ATOM 417 O PRO A1899 -26.065 0.270 -1.749 1.00 75.48 O ATOM 418 CB PRO A1899 -28.500 1.904 -2.329 1.00 83.82 C ATOM 419 CG PRO A1899 -29.843 1.365 -1.976 1.00 83.90 C ATOM 420 CD PRO A1899 -29.675 -0.125 -1.931 1.00 78.54 C ATOM 421 N GLY A1900 -25.511 0.936 -3.828 1.00 66.97 N ATOM 422 CA GLY A1900 -24.088 0.951 -3.565 1.00 61.38 C ATOM 423 C GLY A1900 -23.353 -0.320 -3.940 1.00 56.97 C ATOM 424 O GLY A1900 -22.147 -0.283 -4.180 1.00 60.71 O ATOM 425 H GLY A1900 -25.854 1.148 -4.787 1.00 0.00 H ATOM 426 N TYR A1901 -24.068 -1.441 -4.001 1.00 52.89 N ATOM 427 CA TYR A1901 -23.401 -2.735 -4.133 1.00 59.32 C ATOM 428 C TYR A1901 -22.562 -2.814 -5.401 1.00 60.77 C ATOM 429 O TYR A1901 -21.411 -3.253 -5.359 1.00 52.34 O ATOM 430 CB TYR A1901 -24.405 -3.888 -4.113 1.00 53.65 C ATOM 431 CG TYR A1901 -23.755 -5.188 -3.683 1.00 52.01 C ATOM 432 CD1 TYR A1901 -23.338 -6.133 -4.619 1.00 43.81 C ATOM 433 CD2 TYR A1901 -23.524 -5.452 -2.336 1.00 51.47 C ATOM 434 CE1 TYR A1901 -22.726 -7.315 -4.222 1.00 50.73 C ATOM 435 CE2 TYR A1901 -22.918 -6.628 -1.929 1.00 53.40 C ATOM 436 CZ TYR A1901 -22.522 -7.555 -2.873 1.00 54.59 C ATOM 437 OH TYR A1901 -21.916 -8.719 -2.460 1.00 48.93 O ATOM 438 HH TYR A1901 -21.695 -9.273 -3.250 1.00 0.00 H ATOM 439 H TYR A1901 -25.106 -1.396 -3.955 1.00 0.00 H ATOM 440 N LYS A1902 -23.136 -2.368 -6.515 1.00 64.79 N ATOM 441 CA LYS A1902 -22.465 -2.421 -7.810 1.00 67.73 C ATOM 442 C LYS A1902 -21.135 -1.661 -7.766 1.00 60.23 C ATOM 443 O LYS A1902 -20.105 -2.160 -8.230 1.00 56.73 O ATOM 444 CB LYS A1902 -23.381 -1.854 -8.901 1.00 75.32 C ATOM 445 CG LYS A1902 -23.037 -2.290 -10.327 1.00 79.85 C ATOM 446 CD LYS A1902 -24.104 -1.822 -11.327 1.00 77.83 C ATOM 447 CE LYS A1902 -23.620 -1.927 -12.768 1.00 80.99 C ATOM 448 NZ LYS A1902 -24.459 -1.113 -13.704 1.00 87.10 N ATOM 449 HZ1 LYS A1902 -25.443 -1.448 -13.667 1.00 0.00 H ATOM 450 HZ2 LYS A1902 -24.421 -0.113 -13.421 1.00 0.00 H ATOM 451 HZ3 LYS A1902 -24.094 -1.214 -14.672 1.00 0.00 H ATOM 452 H LYS A1902 -24.095 -1.968 -6.461 1.00 0.00 H ATOM 453 N LYS A1903 -21.159 -0.470 -7.174 1.00 53.46 N ATOM 454 CA LYS A1903 -19.980 0.388 -7.125 1.00 51.01 C ATOM 455 C LYS A1903 -18.920 -0.112 -6.144 1.00 60.33 C ATOM 456 O LYS A1903 -17.724 -0.082 -6.444 1.00 63.57 O ATOM 457 CB LYS A1903 -20.384 1.816 -6.760 1.00 54.67 C ATOM 458 CG LYS A1903 -19.238 2.814 -6.833 1.00 59.88 C ATOM 459 CD LYS A1903 -18.659 2.855 -8.235 1.00 68.44 C ATOM 460 CE LYS A1903 -17.498 3.825 -8.349 1.00 60.50 C ATOM 461 NZ LYS A1903 -17.892 5.222 -8.035 1.00 69.19 N ATOM 462 HZ1 LYS A1903 -18.633 5.529 -8.697 1.00 0.00 H ATOM 463 HZ2 LYS A1903 -18.254 5.268 -7.061 1.00 0.00 H ATOM 464 HZ3 LYS A1903 -17.063 5.844 -8.128 1.00 0.00 H ATOM 465 H LYS A1903 -22.042 -0.142 -6.734 1.00 0.00 H ATOM 466 N VAL A1904 -19.366 -0.568 -4.977 1.00 53.94 N ATOM 467 CA VAL A1904 -18.473 -0.952 -3.885 1.00 58.29 C ATOM 468 C VAL A1904 -17.838 -2.337 -4.067 1.00 56.74 C ATOM 469 O VAL A1904 -16.654 -2.522 -3.774 1.00 54.89 O ATOM 470 CB VAL A1904 -19.228 -0.914 -2.533 1.00 52.34 C ATOM 471 CG1 VAL A1904 -18.380 -1.499 -1.413 1.00 47.22 C ATOM 472 CG2 VAL A1904 -19.658 0.517 -2.209 1.00 49.92 C ATOM 473 H VAL A1904 -20.393 -0.655 -4.835 1.00 0.00 H ATOM 474 N ILE A1905 -18.613 -3.301 -4.559 1.00 47.08 N ATOM 475 CA ILE A1905 -18.132 -4.684 -4.660 1.00 45.43 C ATOM 476 C ILE A1905 -17.733 -5.015 -6.094 1.00 48.86 C ATOM 477 O ILE A1905 -18.593 -5.204 -6.956 1.00 49.77 O ATOM 478 CB ILE A1905 -19.197 -5.698 -4.175 1.00 50.59 C ATOM 479 CG1 ILE A1905 -19.640 -5.382 -2.740 1.00 48.63 C ATOM 480 CG2 ILE A1905 -18.670 -7.142 -4.277 1.00 45.12 C ATOM 481 CD1 ILE A1905 -18.564 -5.580 -1.707 1.00 50.26 C ATOM 482 H ILE A1905 -19.576 -3.070 -4.877 1.00 0.00 H ATOM 483 N LYS A1906 -16.429 -5.091 -6.344 1.00 48.97 N ATOM 484 CA LYS A1906 -15.920 -5.253 -7.705 1.00 55.77 C ATOM 485 C LYS A1906 -16.185 -6.635 -8.311 1.00 54.29 C ATOM 486 O LYS A1906 -16.291 -6.762 -9.524 1.00 52.47 O ATOM 487 CB LYS A1906 -14.416 -4.963 -7.748 1.00 64.15 C ATOM 488 CG LYS A1906 -14.038 -3.573 -7.246 1.00 73.36 C ATOM 489 CD LYS A1906 -15.013 -2.517 -7.739 1.00 79.21 C ATOM 490 CE LYS A1906 -14.648 -1.143 -7.209 1.00 92.07 C ATOM 491 NZ LYS A1906 -15.689 -0.136 -7.552 1.00 98.28 N ATOM 492 HZ1 LYS A1906 -15.785 -0.077 -8.586 1.00 0.00 H ATOM 493 HZ2 LYS A1906 -16.597 -0.422 -7.134 1.00 0.00 H ATOM 494 HZ3 LYS A1906 -15.409 0.792 -7.175 1.00 0.00 H ATOM 495 H LYS A1906 -15.756 -5.034 -5.553 1.00 0.00 H ATOM 496 N LYS A1907 -16.281 -7.668 -7.477 1.00 52.50 N ATOM 497 CA LYS A1907 -16.511 -9.026 -7.982 1.00 48.67 C ATOM 498 C LYS A1907 -17.581 -9.739 -7.159 1.00 47.57 C ATOM 499 O LYS A1907 -17.264 -10.481 -6.224 1.00 47.98 O ATOM 500 CB LYS A1907 -15.211 -9.845 -7.975 1.00 50.76 C ATOM 501 CG LYS A1907 -14.099 -9.273 -8.844 1.00 66.40 C ATOM 502 CD LYS A1907 -12.734 -9.875 -8.508 1.00 78.18 C ATOM 503 CE LYS A1907 -12.559 -11.274 -9.079 1.00 82.95 C ATOM 504 NZ LYS A1907 -11.172 -11.781 -8.863 1.00 89.13 N ATOM 505 HZ1 LYS A1907 -10.495 -11.146 -9.332 1.00 0.00 H ATOM 506 HZ2 LYS A1907 -10.971 -11.813 -7.843 1.00 0.00 H ATOM 507 HZ3 LYS A1907 -11.087 -12.737 -9.264 1.00 0.00 H ATOM 508 H LYS A1907 -16.192 -7.510 -6.453 1.00 0.00 H ATOM 509 N PRO A1908 -18.857 -9.508 -7.507 1.00 51.05 N ATOM 510 CA PRO A1908 -19.976 -10.177 -6.838 1.00 49.20 C ATOM 511 C PRO A1908 -19.920 -11.680 -7.051 1.00 44.64 C ATOM 512 O PRO A1908 -19.490 -12.136 -8.109 1.00 46.16 O ATOM 513 CB PRO A1908 -21.214 -9.577 -7.518 1.00 46.87 C ATOM 514 CG PRO A1908 -20.728 -8.305 -8.165 1.00 53.12 C ATOM 515 CD PRO A1908 -19.314 -8.585 -8.561 1.00 54.22 C ATOM 516 N MET A1909 -20.345 -12.442 -6.054 1.00 43.93 N ATOM 517 CA MET A1909 -20.381 -13.892 -6.183 1.00 43.39 C ATOM 518 C MET A1909 -21.466 -14.432 -5.254 1.00 45.70 C ATOM 519 O MET A1909 -21.787 -13.814 -4.240 1.00 45.06 O ATOM 520 CB MET A1909 -19.006 -14.497 -5.870 1.00 40.72 C ATOM 521 CG MET A1909 -18.887 -16.008 -6.126 1.00 37.03 C ATOM 522 SD MET A1909 -19.260 -16.447 -7.837 1.00 44.19 S ATOM 523 CE MET A1909 -18.016 -15.494 -8.725 1.00 43.00 C ATOM 524 H MET A1909 -20.657 -11.998 -5.167 1.00 0.00 H ATOM 525 N ASP A1910 -22.046 -15.568 -5.625 1.00 47.18 N ATOM 526 CA ASP A1910 -23.109 -16.197 -4.850 1.00 44.06 C ATOM 527 C ASP A1910 -23.108 -17.687 -5.165 1.00 43.91 C ATOM 528 O ASP A1910 -22.460 -18.111 -6.125 1.00 42.25 O ATOM 529 CB ASP A1910 -24.470 -15.580 -5.180 1.00 39.14 C ATOM 530 CG ASP A1910 -24.909 -15.885 -6.612 1.00 49.32 C ATOM 531 OD1 ASP A1910 -24.454 -15.180 -7.539 1.00 46.43 O ATOM 532 OD2 ASP A1910 -25.700 -16.833 -6.806 1.00 46.80 O ATOM 533 H ASP A1910 -21.729 -16.027 -6.503 1.00 0.00 H ATOM 534 N PHE A1911 -23.828 -18.475 -4.367 1.00 36.98 N ATOM 535 CA PHE A1911 -23.813 -19.927 -4.513 1.00 36.43 C ATOM 536 C PHE A1911 -24.332 -20.412 -5.865 1.00 38.41 C ATOM 537 O PHE A1911 -23.801 -21.376 -6.416 1.00 38.49 O ATOM 538 CB PHE A1911 -24.629 -20.596 -3.399 1.00 39.64 C ATOM 539 CG PHE A1911 -24.055 -20.405 -2.017 1.00 42.97 C ATOM 540 CD1 PHE A1911 -22.799 -19.845 -1.836 1.00 39.55 C ATOM 541 CD2 PHE A1911 -24.775 -20.800 -0.897 1.00 42.50 C ATOM 542 CE1 PHE A1911 -22.272 -19.680 -0.556 1.00 38.32 C ATOM 543 CE2 PHE A1911 -24.259 -20.635 0.374 1.00 42.16 C ATOM 544 CZ PHE A1911 -23.006 -20.069 0.544 1.00 38.11 C ATOM 545 H PHE A1911 -24.414 -18.045 -3.623 1.00 0.00 H ATOM 546 N SER A1912 -25.370 -19.770 -6.395 1.00 37.57 N ATOM 547 CA SER A1912 -25.940 -20.208 -7.672 1.00 48.23 C ATOM 548 C SER A1912 -24.959 -19.990 -8.825 1.00 49.43 C ATOM 549 O SER A1912 -24.911 -20.782 -9.763 1.00 47.37 O ATOM 550 CB SER A1912 -27.249 -19.482 -7.964 1.00 51.75 C ATOM 551 OG SER A1912 -27.002 -18.170 -8.435 1.00 51.05 O ATOM 552 HG SER A1912 -26.501 -17.663 -7.748 1.00 0.00 H ATOM 553 H SER A1912 -25.779 -18.952 -5.900 1.00 0.00 H ATOM 554 N THR A1913 -24.180 -18.913 -8.754 1.00 44.65 N ATOM 555 CA THR A1913 -23.154 -18.657 -9.761 1.00 41.72 C ATOM 556 C THR A1913 -22.033 -19.689 -9.627 1.00 45.56 C ATOM 557 O THR A1913 -21.526 -20.213 -10.624 1.00 43.07 O ATOM 558 CB THR A1913 -22.591 -17.226 -9.642 1.00 44.18 C ATOM 559 OG1 THR A1913 -23.655 -16.285 -9.835 1.00 45.12 O ATOM 560 CG2 THR A1913 -21.516 -16.971 -10.699 1.00 45.04 C ATOM 561 HG1 THR A1913 -24.350 -16.428 -9.145 1.00 0.00 H ATOM 562 H THR A1913 -24.304 -18.243 -7.968 1.00 0.00 H ATOM 563 N ILE A1914 -21.668 -20.003 -8.388 1.00 42.16 N ATOM 564 CA ILE A1914 -20.665 -21.031 -8.143 1.00 40.23 C ATOM 565 C ILE A1914 -21.161 -22.383 -8.650 1.00 43.39 C ATOM 566 O ILE A1914 -20.398 -23.151 -9.241 1.00 41.90 O ATOM 567 CB ILE A1914 -20.313 -21.134 -6.650 1.00 39.56 C ATOM 568 CG1 ILE A1914 -19.643 -19.839 -6.180 1.00 40.69 C ATOM 569 CG2 ILE A1914 -19.406 -22.326 -6.390 1.00 32.13 C ATOM 570 CD1 ILE A1914 -19.367 -19.815 -4.690 1.00 38.97 C ATOM 571 H ILE A1914 -22.104 -19.509 -7.583 1.00 0.00 H ATOM 572 N ARG A1915 -22.444 -22.660 -8.439 1.00 36.64 N ATOM 573 CA ARG A1915 -23.028 -23.920 -8.879 1.00 39.40 C ATOM 574 C ARG A1915 -23.030 -24.021 -10.415 1.00 44.07 C ATOM 575 O ARG A1915 -22.766 -25.086 -10.975 1.00 41.13 O ATOM 576 CB ARG A1915 -24.445 -24.075 -8.320 1.00 38.77 C ATOM 577 CG ARG A1915 -25.203 -25.276 -8.874 1.00 41.14 C ATOM 578 CD ARG A1915 -24.508 -26.571 -8.526 1.00 42.63 C ATOM 579 NE ARG A1915 -24.710 -26.942 -7.126 1.00 48.70 N ATOM 580 CZ ARG A1915 -24.166 -28.013 -6.554 1.00 49.00 C ATOM 581 NH1 ARG A1915 -23.383 -28.814 -7.261 1.00 44.30 N ATOM 582 NH2 ARG A1915 -24.399 -28.283 -5.276 1.00 47.71 N ATOM 583 HE ARG A1915 -25.316 -26.331 -6.542 1.00 0.00 H ATOM 584 HH12 ARG A1915 -22.957 -29.651 -6.815 1.00 0.00 H ATOM 585 HH11 ARG A1915 -23.194 -28.605 -8.262 1.00 0.00 H ATOM 586 HH22 ARG A1915 -23.971 -29.122 -4.835 1.00 0.00 H ATOM 587 HH21 ARG A1915 -25.010 -27.656 -4.715 1.00 0.00 H ATOM 588 H ARG A1915 -23.042 -21.964 -7.950 1.00 0.00 H ATOM 589 N GLU A1916 -23.300 -22.912 -11.093 1.00 43.25 N ATOM 590 CA GLU A1916 -23.293 -22.910 -12.560 1.00 49.23 C ATOM 591 C GLU A1916 -21.882 -23.132 -13.122 1.00 47.67 C ATOM 592 O GLU A1916 -21.685 -23.955 -14.014 1.00 47.85 O ATOM 593 CB GLU A1916 -23.872 -21.603 -13.100 1.00 44.50 C ATOM 594 CG GLU A1916 -23.920 -21.532 -14.634 1.00 52.48 C ATOM 595 CD GLU A1916 -24.795 -22.614 -15.256 1.00 63.50 C ATOM 596 OE1 GLU A1916 -25.753 -23.068 -14.593 1.00 68.94 O ATOM 597 OE2 GLU A1916 -24.527 -23.010 -16.414 1.00 68.83 O ATOM 598 H GLU A1916 -23.519 -22.035 -10.579 1.00 0.00 H ATOM 599 N LYS A1917 -20.911 -22.397 -12.587 1.00 43.33 N ATOM 600 CA LYS A1917 -19.510 -22.552 -12.963 1.00 42.37 C ATOM 601 C LYS A1917 -18.983 -23.972 -12.699 1.00 49.41 C ATOM 602 O LYS A1917 -18.231 -24.529 -13.506 1.00 50.86 O ATOM 603 CB LYS A1917 -18.655 -21.522 -12.216 1.00 40.15 C ATOM 604 CG LYS A1917 -18.881 -20.090 -12.691 1.00 47.87 C ATOM 605 CD LYS A1917 -18.083 -19.089 -11.870 1.00 45.26 C ATOM 606 CE LYS A1917 -16.588 -19.166 -12.153 1.00 48.94 C ATOM 607 NZ LYS A1917 -15.855 -18.085 -11.418 1.00 46.37 N ATOM 608 HZ1 LYS A1917 -16.209 -17.157 -11.726 1.00 0.00 H ATOM 609 HZ2 LYS A1917 -16.011 -18.195 -10.396 1.00 0.00 H ATOM 610 HZ3 LYS A1917 -14.838 -18.155 -11.624 1.00 0.00 H ATOM 611 H LYS A1917 -21.160 -21.684 -11.872 1.00 0.00 H ATOM 612 N LEU A1918 -19.381 -24.562 -11.577 1.00 44.73 N ATOM 613 CA LEU A1918 -18.940 -25.915 -11.259 1.00 49.25 C ATOM 614 C LEU A1918 -19.538 -26.905 -12.261 1.00 48.26 C ATOM 615 O LEU A1918 -18.854 -27.809 -12.731 1.00 50.56 O ATOM 616 CB LEU A1918 -19.323 -26.287 -9.821 1.00 45.36 C ATOM 617 CG LEU A1918 -18.675 -27.550 -9.237 1.00 46.23 C ATOM 618 CD1 LEU A1918 -17.157 -27.423 -9.185 1.00 40.95 C ATOM 619 CD2 LEU A1918 -19.240 -27.856 -7.853 1.00 42.92 C ATOM 620 H LEU A1918 -20.011 -24.056 -10.922 1.00 0.00 H ATOM 621 N SER A1919 -20.804 -26.691 -12.609 1.00 44.78 N ATOM 622 CA SER A1919 -21.553 -27.597 -13.468 1.00 47.91 C ATOM 623 C SER A1919 -21.174 -27.486 -14.948 1.00 47.81 C ATOM 624 O SER A1919 -21.605 -28.303 -15.759 1.00 46.20 O ATOM 625 CB SER A1919 -23.055 -27.342 -13.313 1.00 52.31 C ATOM 626 OG SER A1919 -23.501 -27.645 -12.005 1.00 59.67 O ATOM 627 HG SER A1919 -23.018 -27.078 -11.353 1.00 0.00 H ATOM 628 H SER A1919 -21.280 -25.838 -12.251 1.00 0.00 H ATOM 629 N SER A1920 -20.384 -26.474 -15.298 1.00 43.55 N ATOM 630 CA SER A1920 -20.010 -26.242 -16.695 1.00 51.80 C ATOM 631 C SER A1920 -18.493 -26.194 -16.901 1.00 47.59 C ATOM 632 O SER A1920 -18.023 -25.659 -17.904 1.00 47.80 O ATOM 633 CB SER A1920 -20.641 -24.940 -17.211 1.00 53.46 C ATOM 634 OG SER A1920 -20.316 -23.846 -16.361 1.00 48.53 O ATOM 635 HG SER A1920 -20.657 -24.026 -15.449 1.00 0.00 H ATOM 636 H SER A1920 -20.024 -25.833 -14.563 1.00 0.00 H ATOM 637 N GLY A1921 -17.734 -26.747 -15.953 1.00 45.42 N ATOM 638 CA GLY A1921 -16.293 -26.877 -16.105 1.00 45.22 C ATOM 639 C GLY A1921 -15.526 -25.565 -16.128 1.00 48.55 C ATOM 640 O GLY A1921 -14.531 -25.427 -16.840 1.00 45.93 O ATOM 641 H GLY A1921 -18.185 -27.094 -15.082 1.00 0.00 H ATOM 642 N GLN A1922 -15.980 -24.599 -15.339 1.00 46.83 N ATOM 643 CA GLN A1922 -15.324 -23.302 -15.295 1.00 51.87 C ATOM 644 C GLN A1922 -14.319 -23.188 -14.145 1.00 51.76 C ATOM 645 O GLN A1922 -13.601 -22.199 -14.050 1.00 48.21 O ATOM 646 CB GLN A1922 -16.373 -22.191 -15.209 1.00 57.08 C ATOM 647 CG GLN A1922 -17.343 -22.208 -16.395 1.00 63.27 C ATOM 648 CD GLN A1922 -18.077 -20.894 -16.588 1.00 54.72 C ATOM 649 OE1 GLN A1922 -17.475 -19.823 -16.543 1.00 57.04 O ATOM 650 NE2 GLN A1922 -19.385 -20.971 -16.804 1.00 50.76 N ATOM 651 HE22 GLN A1922 -19.853 -21.899 -16.834 1.00 0.00 H ATOM 652 HE21 GLN A1922 -19.941 -20.103 -16.943 1.00 0.00 H ATOM 653 H GLN A1922 -16.816 -24.772 -14.745 1.00 0.00 H ATOM 654 N TYR A1923 -14.259 -24.198 -13.279 1.00 46.88 N ATOM 655 CA TYR A1923 -13.189 -24.262 -12.282 1.00 46.75 C ATOM 656 C TYR A1923 -12.102 -25.232 -12.735 1.00 47.09 C ATOM 657 O TYR A1923 -12.364 -26.422 -12.928 1.00 45.71 O ATOM 658 CB TYR A1923 -13.732 -24.668 -10.911 1.00 42.60 C ATOM 659 CG TYR A1923 -14.624 -23.608 -10.309 1.00 41.36 C ATOM 660 CD1 TYR A1923 -14.128 -22.341 -10.025 1.00 41.56 C ATOM 661 CD2 TYR A1923 -15.961 -23.867 -10.042 1.00 41.72 C ATOM 662 CE1 TYR A1923 -14.941 -21.360 -9.483 1.00 42.19 C ATOM 663 CE2 TYR A1923 -16.782 -22.893 -9.497 1.00 37.36 C ATOM 664 CZ TYR A1923 -16.266 -21.647 -9.219 1.00 38.40 C ATOM 665 OH TYR A1923 -17.084 -20.681 -8.694 1.00 41.71 O ATOM 666 HH TYR A1923 -16.564 -19.850 -8.553 1.00 0.00 H ATOM 667 H TYR A1923 -14.979 -24.948 -13.311 1.00 0.00 H ATOM 668 N PRO A1924 -10.880 -24.714 -12.934 1.00 46.73 N ATOM 669 CA PRO A1924 -9.757 -25.538 -13.393 1.00 53.25 C ATOM 670 C PRO A1924 -9.299 -26.528 -12.322 1.00 52.49 C ATOM 671 O PRO A1924 -8.843 -27.625 -12.649 1.00 55.13 O ATOM 672 CB PRO A1924 -8.658 -24.510 -13.691 1.00 55.66 C ATOM 673 CG PRO A1924 -9.358 -23.185 -13.776 1.00 54.88 C ATOM 674 CD PRO A1924 -10.515 -23.290 -12.837 1.00 48.36 C ATOM 675 N ASN A1925 -9.432 -26.136 -11.059 1.00 45.77 N ATOM 676 CA ASN A1925 -8.976 -26.947 -9.931 1.00 47.70 C ATOM 677 C ASN A1925 -9.729 -26.557 -8.655 1.00 51.42 C ATOM 678 O ASN A1925 -10.437 -25.550 -8.646 1.00 44.49 O ATOM 679 CB ASN A1925 -7.466 -26.784 -9.742 1.00 45.33 C ATOM 680 CG ASN A1925 -7.050 -25.331 -9.545 1.00 49.97 C ATOM 681 OD1 ASN A1925 -7.660 -24.589 -8.770 1.00 57.15 O ATOM 682 ND2 ASN A1925 -6.006 -24.920 -10.250 1.00 51.89 N ATOM 683 HD22 ASN A1925 -5.520 -25.578 -10.892 1.00 0.00 H ATOM 684 HD21 ASN A1925 -5.672 -23.939 -10.161 1.00 0.00 H ATOM 685 H ASN A1925 -9.878 -25.217 -10.865 1.00 0.00 H ATOM 686 N LEU A1926 -9.580 -27.324 -7.577 1.00 46.69 N ATOM 687 CA LEU A1926 -10.375 -27.044 -6.375 1.00 43.29 C ATOM 688 C LEU A1926 -10.002 -25.724 -5.699 1.00 43.03 C ATOM 689 O LEU A1926 -10.828 -25.124 -5.017 1.00 50.21 O ATOM 690 CB LEU A1926 -10.276 -28.194 -5.359 1.00 46.10 C ATOM 691 CG LEU A1926 -8.969 -28.928 -5.076 1.00 57.93 C ATOM 692 CD1 LEU A1926 -7.910 -28.010 -4.506 1.00 69.80 C ATOM 693 CD2 LEU A1926 -9.258 -30.061 -4.110 1.00 61.80 C ATOM 694 H LEU A1926 -8.905 -28.116 -7.586 1.00 0.00 H ATOM 695 N GLU A1927 -8.771 -25.268 -5.888 1.00 47.48 N ATOM 696 CA GLU A1927 -8.353 -24.005 -5.300 1.00 48.92 C ATOM 697 C GLU A1927 -9.145 -22.828 -5.882 1.00 50.65 C ATOM 698 O GLU A1927 -9.547 -21.929 -5.140 1.00 48.18 O ATOM 699 CB GLU A1927 -6.847 -23.795 -5.489 1.00 58.15 C ATOM 700 CG GLU A1927 -5.987 -24.859 -4.805 1.00 75.76 C ATOM 701 CD GLU A1927 -6.194 -24.922 -3.289 1.00 92.92 C ATOM 702 OE1 GLU A1927 -6.565 -23.893 -2.680 1.00 99.11 O ATOM 703 OE2 GLU A1927 -5.982 -26.007 -2.701 1.00 97.13 O ATOM 704 H GLU A1927 -8.099 -25.818 -6.461 1.00 0.00 H ATOM 705 N THR A1928 -9.392 -22.831 -7.192 1.00 39.80 N ATOM 706 CA THR A1928 -10.180 -21.750 -7.791 1.00 41.00 C ATOM 707 C THR A1928 -11.619 -21.782 -7.276 1.00 40.21 C ATOM 708 O THR A1928 -12.257 -20.743 -7.132 1.00 40.61 O ATOM 709 CB THR A1928 -10.200 -21.815 -9.330 1.00 48.05 C ATOM 710 OG1 THR A1928 -10.715 -23.084 -9.749 1.00 47.92 O ATOM 711 CG2 THR A1928 -8.803 -21.625 -9.893 1.00 49.65 C ATOM 712 HG1 THR A1928 -10.137 -23.806 -9.396 1.00 0.00 H ATOM 713 H THR A1928 -9.026 -23.600 -7.789 1.00 0.00 H ATOM 714 N PHE A1929 -12.123 -22.979 -6.994 1.00 38.78 N ATOM 715 CA PHE A1929 -13.443 -23.137 -6.385 1.00 38.36 C ATOM 716 C PHE A1929 -13.497 -22.489 -4.988 1.00 43.04 C ATOM 717 O PHE A1929 -14.416 -21.723 -4.677 1.00 42.97 O ATOM 718 CB PHE A1929 -13.803 -24.625 -6.316 1.00 35.78 C ATOM 719 CG PHE A1929 -15.036 -24.931 -5.500 1.00 40.51 C ATOM 720 CD1 PHE A1929 -16.300 -24.818 -6.056 1.00 37.42 C ATOM 721 CD2 PHE A1929 -14.924 -25.371 -4.187 1.00 38.19 C ATOM 722 CE1 PHE A1929 -17.430 -25.117 -5.314 1.00 36.08 C ATOM 723 CE2 PHE A1929 -16.053 -25.670 -3.438 1.00 38.68 C ATOM 724 CZ PHE A1929 -17.309 -25.537 -4.007 1.00 37.91 C ATOM 725 H PHE A1929 -11.563 -23.827 -7.213 1.00 0.00 H ATOM 726 N ALA A1930 -12.506 -22.780 -4.153 1.00 40.89 N ATOM 727 CA ALA A1930 -12.473 -22.217 -2.801 1.00 45.29 C ATOM 728 C ALA A1930 -12.344 -20.694 -2.842 1.00 46.90 C ATOM 729 O ALA A1930 -12.866 -19.989 -1.973 1.00 42.95 O ATOM 730 CB ALA A1930 -11.335 -22.828 -2.000 1.00 35.38 C ATOM 731 H ALA A1930 -11.744 -23.416 -4.463 1.00 0.00 H ATOM 732 N LEU A1931 -11.664 -20.189 -3.868 1.00 45.74 N ATOM 733 CA LEU A1931 -11.510 -18.748 -4.036 1.00 44.42 C ATOM 734 C LEU A1931 -12.866 -18.059 -4.202 1.00 47.37 C ATOM 735 O LEU A1931 -13.129 -17.029 -3.580 1.00 46.80 O ATOM 736 CB LEU A1931 -10.606 -18.444 -5.230 1.00 49.89 C ATOM 737 CG LEU A1931 -9.103 -18.474 -4.945 1.00 56.15 C ATOM 738 CD1 LEU A1931 -8.298 -18.277 -6.216 1.00 57.50 C ATOM 739 CD2 LEU A1931 -8.751 -17.404 -3.932 1.00 68.10 C ATOM 740 H LEU A1931 -11.235 -20.833 -4.563 1.00 0.00 H ATOM 741 N ASP A1932 -13.726 -18.637 -5.035 1.00 43.94 N ATOM 742 CA ASP A1932 -15.059 -18.085 -5.271 1.00 39.40 C ATOM 743 C ASP A1932 -15.935 -18.166 -4.019 1.00 45.06 C ATOM 744 O ASP A1932 -16.681 -17.231 -3.708 1.00 42.31 O ATOM 745 CB ASP A1932 -15.736 -18.816 -6.430 1.00 32.36 C ATOM 746 CG ASP A1932 -15.522 -18.118 -7.768 1.00 42.16 C ATOM 747 OD1 ASP A1932 -14.754 -17.132 -7.810 1.00 42.74 O ATOM 748 OD2 ASP A1932 -16.128 -18.555 -8.770 1.00 37.18 O ATOM 749 H ASP A1932 -13.443 -19.505 -5.532 1.00 0.00 H ATOM 750 N VAL A1933 -15.846 -19.285 -3.306 1.00 42.66 N ATOM 751 CA VAL A1933 -16.583 -19.450 -2.055 1.00 36.01 C ATOM 752 C VAL A1933 -16.175 -18.378 -1.038 1.00 40.94 C ATOM 753 O VAL A1933 -17.030 -17.732 -0.428 1.00 40.00 O ATOM 754 CB VAL A1933 -16.367 -20.851 -1.440 1.00 37.10 C ATOM 755 CG1 VAL A1933 -17.071 -20.957 -0.088 1.00 33.80 C ATOM 756 CG2 VAL A1933 -16.859 -21.940 -2.388 1.00 35.92 C ATOM 757 H VAL A1933 -15.239 -20.059 -3.646 1.00 0.00 H ATOM 758 N ARG A1934 -14.869 -18.192 -0.865 1.00 38.53 N ATOM 759 CA ARG A1934 -14.358 -17.206 0.076 1.00 41.76 C ATOM 760 C ARG A1934 -14.711 -15.787 -0.378 1.00 48.05 C ATOM 761 O ARG A1934 -14.942 -14.906 0.450 1.00 40.37 O ATOM 762 CB ARG A1934 -12.843 -17.374 0.255 1.00 44.72 C ATOM 763 CG ARG A1934 -12.490 -18.616 1.080 1.00 45.49 C ATOM 764 CD ARG A1934 -11.048 -19.095 0.920 1.00 45.61 C ATOM 765 NE ARG A1934 -10.879 -20.380 1.597 1.00 51.87 N ATOM 766 CZ ARG A1934 -9.876 -21.231 1.396 1.00 54.11 C ATOM 767 NH1 ARG A1934 -8.915 -20.949 0.526 1.00 47.03 N ATOM 768 NH2 ARG A1934 -9.842 -22.374 2.069 1.00 53.79 N ATOM 769 HE ARG A1934 -11.602 -20.651 2.293 1.00 0.00 H ATOM 770 HH12 ARG A1934 -8.135 -21.621 0.376 1.00 0.00 H ATOM 771 HH11 ARG A1934 -8.941 -20.056 -0.006 1.00 0.00 H ATOM 772 HH22 ARG A1934 -9.061 -23.044 1.917 1.00 0.00 H ATOM 773 HH21 ARG A1934 -10.596 -22.600 2.748 1.00 0.00 H ATOM 774 H ARG A1934 -14.197 -18.765 -1.415 1.00 0.00 H ATOM 775 N LEU A1935 -14.776 -15.580 -1.692 1.00 43.69 N ATOM 776 CA LEU A1935 -15.183 -14.296 -2.255 1.00 38.63 C ATOM 777 C LEU A1935 -16.586 -13.901 -1.781 1.00 44.73 C ATOM 778 O LEU A1935 -16.839 -12.734 -1.464 1.00 41.77 O ATOM 779 CB LEU A1935 -15.134 -14.344 -3.784 1.00 41.25 C ATOM 780 CG LEU A1935 -15.509 -13.061 -4.527 1.00 43.97 C ATOM 781 CD1 LEU A1935 -14.666 -11.900 -4.024 1.00 46.12 C ATOM 782 CD2 LEU A1935 -15.362 -13.229 -6.046 1.00 39.49 C ATOM 783 H LEU A1935 -14.529 -16.357 -2.337 1.00 0.00 H ATOM 784 N VAL A1936 -17.491 -14.878 -1.726 1.00 42.20 N ATOM 785 CA VAL A1936 -18.837 -14.651 -1.204 1.00 37.99 C ATOM 786 C VAL A1936 -18.807 -14.028 0.195 1.00 43.98 C ATOM 787 O VAL A1936 -19.496 -13.040 0.468 1.00 40.52 O ATOM 788 CB VAL A1936 -19.645 -15.959 -1.133 1.00 39.54 C ATOM 789 CG1 VAL A1936 -20.957 -15.740 -0.367 1.00 35.50 C ATOM 790 CG2 VAL A1936 -19.907 -16.521 -2.539 1.00 34.94 C ATOM 791 H VAL A1936 -17.232 -15.827 -2.064 1.00 0.00 H ATOM 792 N PHE A1937 -17.994 -14.601 1.077 1.00 37.38 N ATOM 793 CA PHE A1937 -17.975 -14.174 2.480 1.00 39.92 C ATOM 794 C PHE A1937 -17.110 -12.934 2.677 1.00 43.46 C ATOM 795 O PHE A1937 -17.355 -12.135 3.589 1.00 47.31 O ATOM 796 CB PHE A1937 -17.501 -15.330 3.360 1.00 35.75 C ATOM 797 CG PHE A1937 -18.266 -16.597 3.116 1.00 39.16 C ATOM 798 CD1 PHE A1937 -19.655 -16.568 3.038 1.00 41.37 C ATOM 799 CD2 PHE A1937 -17.611 -17.801 2.904 1.00 43.85 C ATOM 800 CE1 PHE A1937 -20.379 -17.719 2.777 1.00 42.26 C ATOM 801 CE2 PHE A1937 -18.333 -18.972 2.648 1.00 42.88 C ATOM 802 CZ PHE A1937 -19.718 -18.928 2.583 1.00 39.63 C ATOM 803 H PHE A1937 -17.361 -15.365 0.767 1.00 0.00 H ATOM 804 N ASP A1938 -16.115 -12.761 1.810 1.00 40.71 N ATOM 805 CA ASP A1938 -15.314 -11.542 1.826 1.00 49.00 C ATOM 806 C ASP A1938 -16.156 -10.356 1.392 1.00 48.79 C ATOM 807 O ASP A1938 -16.108 -9.298 2.018 1.00 51.96 O ATOM 808 CB ASP A1938 -14.084 -11.676 0.934 1.00 46.55 C ATOM 809 CG ASP A1938 -13.036 -12.600 1.527 1.00 50.64 C ATOM 810 OD1 ASP A1938 -13.140 -12.928 2.729 1.00 48.82 O ATOM 811 OD2 ASP A1938 -12.104 -12.990 0.794 1.00 55.41 O ATOM 812 H ASP A1938 -15.906 -13.504 1.113 1.00 0.00 H ATOM 813 N ASN A1939 -16.927 -10.530 0.322 1.00 44.34 N ATOM 814 CA ASN A1939 -17.867 -9.495 -0.102 1.00 48.29 C ATOM 815 C ASN A1939 -18.870 -9.187 1.008 1.00 51.03 C ATOM 816 O ASN A1939 -19.219 -8.030 1.237 1.00 56.27 O ATOM 817 CB ASN A1939 -18.619 -9.914 -1.370 1.00 49.39 C ATOM 818 CG ASN A1939 -17.715 -10.019 -2.592 1.00 45.37 C ATOM 819 OD1 ASN A1939 -16.617 -9.458 -2.624 1.00 45.16 O ATOM 820 ND2 ASN A1939 -18.192 -10.728 -3.619 1.00 38.46 N ATOM 821 HD22 ASN A1939 -19.124 -11.184 -3.548 1.00 0.00 H ATOM 822 HD21 ASN A1939 -17.632 -10.824 -4.490 1.00 0.00 H ATOM 823 H ASN A1939 -16.860 -11.415 -0.220 1.00 0.00 H ATOM 824 N CYS A1940 -19.323 -10.227 1.707 1.00 45.20 N ATOM 825 CA CYS A1940 -20.323 -10.041 2.750 1.00 47.67 C ATOM 826 C CYS A1940 -19.761 -9.189 3.891 1.00 48.68 C ATOM 827 O CYS A1940 -20.446 -8.300 4.391 1.00 49.30 O ATOM 828 CB CYS A1940 -20.828 -11.389 3.280 1.00 42.79 C ATOM 829 SG CYS A1940 -22.123 -11.261 4.583 1.00 45.35 S ATOM 830 H CYS A1940 -18.959 -11.180 1.506 1.00 0.00 H ATOM 831 N GLU A1941 -18.512 -9.444 4.282 1.00 52.70 N ATOM 832 CA GLU A1941 -17.877 -8.693 5.368 1.00 53.17 C ATOM 833 C GLU A1941 -17.645 -7.244 4.987 1.00 52.94 C ATOM 834 O GLU A1941 -17.677 -6.358 5.840 1.00 51.90 O ATOM 835 CB GLU A1941 -16.540 -9.317 5.772 1.00 59.12 C ATOM 836 CG GLU A1941 -16.642 -10.421 6.792 1.00 66.33 C ATOM 837 CD GLU A1941 -15.309 -10.704 7.456 1.00 67.43 C ATOM 838 OE1 GLU A1941 -14.832 -11.855 7.382 1.00 71.03 O ATOM 839 OE2 GLU A1941 -14.739 -9.772 8.054 1.00 64.32 O ATOM 840 H GLU A1941 -17.975 -10.195 3.804 1.00 0.00 H ATOM 841 N THR A1942 -17.387 -7.007 3.706 1.00 45.82 N ATOM 842 CA THR A1942 -17.167 -5.653 3.223 1.00 50.08 C ATOM 843 C THR A1942 -18.424 -4.797 3.367 1.00 55.21 C ATOM 844 O THR A1942 -18.350 -3.633 3.765 1.00 57.92 O ATOM 845 CB THR A1942 -16.717 -5.660 1.755 1.00 52.61 C ATOM 846 OG1 THR A1942 -15.502 -6.410 1.643 1.00 52.70 O ATOM 847 CG2 THR A1942 -16.478 -4.231 1.248 1.00 53.22 C ATOM 848 HG1 THR A1942 -15.659 -7.338 1.949 1.00 0.00 H ATOM 849 H THR A1942 -17.342 -7.802 3.038 1.00 0.00 H ATOM 850 N PHE A1943 -19.578 -5.383 3.061 1.00 58.05 N ATOM 851 CA PHE A1943 -20.802 -4.603 2.898 1.00 55.59 C ATOM 852 C PHE A1943 -21.712 -4.595 4.127 1.00 54.56 C ATOM 853 O PHE A1943 -22.478 -3.655 4.325 1.00 58.40 O ATOM 854 CB PHE A1943 -21.586 -5.115 1.681 1.00 46.95 C ATOM 855 CG PHE A1943 -22.475 -4.072 1.050 1.00 49.82 C ATOM 856 CD1 PHE A1943 -21.944 -3.114 0.197 1.00 48.80 C ATOM 857 CD2 PHE A1943 -23.837 -4.048 1.306 1.00 51.34 C ATOM 858 CE1 PHE A1943 -22.754 -2.149 -0.388 1.00 57.26 C ATOM 859 CE2 PHE A1943 -24.653 -3.091 0.719 1.00 52.45 C ATOM 860 CZ PHE A1943 -24.109 -2.135 -0.124 1.00 51.42 C ATOM 861 H PHE A1943 -19.609 -6.415 2.936 1.00 0.00 H ATOM 862 N ASN A1944 -21.630 -5.634 4.949 1.00 51.52 N ATOM 863 CA ASN A1944 -22.551 -5.784 6.074 1.00 49.76 C ATOM 864 C ASN A1944 -21.861 -5.700 7.439 1.00 59.23 C ATOM 865 O ASN A1944 -20.735 -6.176 7.598 1.00 54.46 O ATOM 866 CB ASN A1944 -23.294 -7.120 5.969 1.00 45.77 C ATOM 867 CG ASN A1944 -23.974 -7.317 4.615 1.00 51.21 C ATOM 868 OD1 ASN A1944 -25.125 -6.925 4.429 1.00 49.14 O ATOM 869 ND2 ASN A1944 -23.269 -7.951 3.674 1.00 41.64 N ATOM 870 HD22 ASN A1944 -22.298 -8.265 3.875 1.00 0.00 H ATOM 871 HD21 ASN A1944 -23.691 -8.130 2.741 1.00 0.00 H ATOM 872 H ASN A1944 -20.897 -6.354 4.790 1.00 0.00 H ATOM 873 N GLU A1945 -22.547 -5.103 8.417 1.00 58.62 N ATOM 874 CA GLU A1945 -22.072 -5.067 9.798 1.00 59.32 C ATOM 875 C GLU A1945 -21.945 -6.480 10.367 1.00 55.75 C ATOM 876 O GLU A1945 -22.777 -7.341 10.084 1.00 47.43 O ATOM 877 CB GLU A1945 -23.021 -4.248 10.675 1.00 54.23 C ATOM 878 CG GLU A1945 -23.187 -2.803 10.259 1.00 66.83 C ATOM 879 CD GLU A1945 -22.166 -1.896 10.910 1.00 77.53 C ATOM 880 OE1 GLU A1945 -20.979 -2.277 10.997 1.00 82.70 O ATOM 881 OE2 GLU A1945 -22.555 -0.801 11.350 1.00 85.03 O ATOM 882 H GLU A1945 -23.453 -4.647 8.187 1.00 0.00 H ATOM 883 N ASP A1946 -20.920 -6.702 11.185 1.00 56.90 N ATOM 884 CA ASP A1946 -20.638 -8.023 11.746 1.00 62.00 C ATOM 885 C ASP A1946 -21.820 -8.661 12.470 1.00 68.13 C ATOM 886 O ASP A1946 -22.012 -9.875 12.395 1.00 76.72 O ATOM 887 CB ASP A1946 -19.453 -7.948 12.710 1.00 60.64 C ATOM 888 CG ASP A1946 -18.124 -7.922 11.994 1.00 63.91 C ATOM 889 OD1 ASP A1946 -18.058 -8.385 10.831 1.00 55.07 O ATOM 890 OD2 ASP A1946 -17.147 -7.433 12.597 1.00 69.26 O ATOM 891 H ASP A1946 -20.297 -5.908 11.435 1.00 0.00 H ATOM 892 N ASP A1947 -22.616 -7.852 13.159 1.00 66.44 N ATOM 893 CA ASP A1947 -23.712 -8.377 13.966 1.00 69.86 C ATOM 894 C ASP A1947 -25.078 -8.118 13.339 1.00 71.88 C ATOM 895 O ASP A1947 -26.102 -8.200 14.013 1.00 82.52 O ATOM 896 CB ASP A1947 -23.675 -7.775 15.369 1.00 72.16 C ATOM 897 CG ASP A1947 -24.075 -6.320 15.380 1.00 73.86 C ATOM 898 OD1 ASP A1947 -23.700 -5.599 14.431 1.00 73.66 O ATOM 899 OD2 ASP A1947 -24.773 -5.902 16.327 1.00 76.50 O ATOM 900 H ASP A1947 -22.455 -6.825 13.123 1.00 0.00 H ATOM 901 N SER A1948 -25.091 -7.796 12.052 1.00 67.95 N ATOM 902 CA SER A1948 -26.346 -7.711 11.322 1.00 55.92 C ATOM 903 C SER A1948 -26.735 -9.145 10.984 1.00 56.63 C ATOM 904 O SER A1948 -25.894 -10.049 11.074 1.00 51.94 O ATOM 905 CB SER A1948 -26.205 -6.865 10.063 1.00 50.75 C ATOM 906 OG SER A1948 -25.340 -7.498 9.134 1.00 49.92 O ATOM 907 HG SER A1948 -24.447 -7.617 9.544 1.00 0.00 H ATOM 908 H SER A1948 -24.195 -7.603 11.560 1.00 0.00 H ATOM 909 N ASP A1949 -27.990 -9.372 10.603 1.00 55.39 N ATOM 910 CA ASP A1949 -28.426 -10.730 10.268 1.00 53.64 C ATOM 911 C ASP A1949 -27.589 -11.309 9.132 1.00 48.20 C ATOM 912 O ASP A1949 -27.102 -12.436 9.232 1.00 47.08 O ATOM 913 CB ASP A1949 -29.912 -10.756 9.900 1.00 50.51 C ATOM 914 CG ASP A1949 -30.816 -10.543 11.105 1.00 55.31 C ATOM 915 OD1 ASP A1949 -30.662 -11.274 12.106 1.00 59.78 O ATOM 916 OD2 ASP A1949 -31.677 -9.642 11.048 1.00 58.43 O ATOM 917 H ASP A1949 -28.664 -8.582 10.543 1.00 0.00 H ATOM 918 N ILE A1950 -27.414 -10.532 8.062 1.00 44.65 N ATOM 919 CA ILE A1950 -26.632 -10.980 6.909 1.00 46.87 C ATOM 920 C ILE A1950 -25.154 -11.125 7.272 1.00 48.89 C ATOM 921 O ILE A1950 -24.497 -12.082 6.867 1.00 50.49 O ATOM 922 CB ILE A1950 -26.773 -10.007 5.718 1.00 50.57 C ATOM 923 CG1 ILE A1950 -28.208 -10.031 5.185 1.00 51.33 C ATOM 924 CG2 ILE A1950 -25.784 -10.360 4.615 1.00 50.76 C ATOM 925 CD1 ILE A1950 -28.487 -8.987 4.131 1.00 55.52 C ATOM 926 H ILE A1950 -27.844 -9.585 8.047 1.00 0.00 H ATOM 927 N GLY A1951 -24.643 -10.171 8.045 1.00 42.32 N ATOM 928 CA GLY A1951 -23.256 -10.188 8.474 1.00 46.87 C ATOM 929 C GLY A1951 -22.863 -11.417 9.280 1.00 51.63 C ATOM 930 O GLY A1951 -21.818 -12.019 9.026 1.00 50.64 O ATOM 931 H GLY A1951 -25.256 -9.389 8.352 1.00 0.00 H ATOM 932 N ARG A1952 -23.685 -11.797 10.254 1.00 46.77 N ATOM 933 CA ARG A1952 -23.378 -12.976 11.065 1.00 48.93 C ATOM 934 C ARG A1952 -23.625 -14.276 10.291 1.00 44.96 C ATOM 935 O ARG A1952 -22.982 -15.289 10.562 1.00 42.21 O ATOM 936 CB ARG A1952 -24.187 -12.976 12.362 1.00 58.43 C ATOM 937 CG ARG A1952 -23.831 -14.117 13.326 1.00 64.83 C ATOM 938 CD ARG A1952 -22.330 -14.189 13.630 1.00 64.58 C ATOM 939 NE ARG A1952 -21.798 -12.915 14.113 1.00 70.60 N ATOM 940 CZ ARG A1952 -20.545 -12.732 14.521 1.00 76.05 C ATOM 941 NH1 ARG A1952 -20.149 -11.536 14.944 1.00 75.45 N ATOM 942 NH2 ARG A1952 -19.688 -13.748 14.510 1.00 77.38 N ATOM 943 HE ARG A1952 -22.442 -12.098 14.139 1.00 0.00 H ATOM 944 HH12 ARG A1952 -19.169 -11.395 15.262 1.00 0.00 H ATOM 945 HH11 ARG A1952 -20.819 -10.741 14.957 1.00 0.00 H ATOM 946 HH22 ARG A1952 -18.708 -13.605 14.829 1.00 0.00 H ATOM 947 HH21 ARG A1952 -19.997 -14.685 14.183 1.00 0.00 H ATOM 948 H ARG A1952 -24.551 -11.253 10.441 1.00 0.00 H ATOM 949 N ALA A1953 -24.548 -14.244 9.331 1.00 41.50 N ATOM 950 CA ALA A1953 -24.776 -15.398 8.473 1.00 48.96 C ATOM 951 C ALA A1953 -23.498 -15.711 7.716 1.00 48.72 C ATOM 952 O ALA A1953 -23.139 -16.875 7.545 1.00 49.97 O ATOM 953 CB ALA A1953 -25.925 -15.148 7.509 1.00 46.27 C ATOM 954 H ALA A1953 -25.114 -13.382 9.192 1.00 0.00 H ATOM 955 N GLY A1954 -22.801 -14.660 7.292 1.00 39.85 N ATOM 956 CA GLY A1954 -21.580 -14.812 6.522 1.00 39.02 C ATOM 957 C GLY A1954 -20.463 -15.428 7.334 1.00 45.01 C ATOM 958 O GLY A1954 -19.787 -16.349 6.879 1.00 46.26 O ATOM 959 H GLY A1954 -23.140 -13.703 7.518 1.00 0.00 H ATOM 960 N HIS A1955 -20.272 -14.921 8.545 1.00 45.39 N ATOM 961 CA HIS A1955 -19.288 -15.486 9.464 1.00 45.17 C ATOM 962 C HIS A1955 -19.563 -16.960 9.782 1.00 46.86 C ATOM 963 O HIS A1955 -18.646 -17.784 9.787 1.00 46.48 O ATOM 964 CB HIS A1955 -19.247 -14.673 10.757 1.00 45.74 C ATOM 965 CG HIS A1955 -18.611 -13.328 10.602 1.00 54.59 C ATOM 966 ND1 HIS A1955 -17.294 -13.167 10.221 1.00 57.57 N ATOM 967 CD2 HIS A1955 -19.104 -12.080 10.780 1.00 60.25 C ATOM 968 CE1 HIS A1955 -17.008 -11.880 10.165 1.00 61.63 C ATOM 969 NE2 HIS A1955 -18.088 -11.196 10.501 1.00 63.38 N ATOM 970 H HIS A1955 -20.837 -14.102 8.847 1.00 0.00 H ATOM 971 N ASN A1956 -20.822 -17.281 10.066 1.00 46.82 N ATOM 972 CA ASN A1956 -21.239 -18.662 10.290 1.00 46.09 C ATOM 973 C ASN A1956 -20.936 -19.561 9.068 1.00 46.30 C ATOM 974 O ASN A1956 -20.367 -20.652 9.202 1.00 43.83 O ATOM 975 CB ASN A1956 -22.735 -18.712 10.612 1.00 41.26 C ATOM 976 CG ASN A1956 -23.074 -18.209 12.013 1.00 51.05 C ATOM 977 OD1 ASN A1956 -22.197 -17.878 12.830 1.00 48.45 O ATOM 978 ND2 ASN A1956 -24.372 -18.162 12.300 1.00 43.95 N ATOM 979 HD22 ASN A1956 -25.073 -18.448 11.587 1.00 0.00 H ATOM 980 HD21 ASN A1956 -24.686 -17.839 13.237 1.00 0.00 H ATOM 981 H ASN A1956 -21.532 -16.524 10.131 1.00 0.00 H ATOM 982 N MET A1957 -21.321 -19.097 7.883 1.00 41.33 N ATOM 983 CA MET A1957 -21.155 -19.877 6.651 1.00 42.71 C ATOM 984 C MET A1957 -19.688 -20.080 6.283 1.00 40.18 C ATOM 985 O MET A1957 -19.305 -21.133 5.770 1.00 42.47 O ATOM 986 CB MET A1957 -21.883 -19.207 5.484 1.00 37.69 C ATOM 987 CG MET A1957 -23.403 -19.317 5.536 1.00 42.94 C ATOM 988 SD MET A1957 -24.017 -21.018 5.666 1.00 62.28 S ATOM 989 CE MET A1957 -23.550 -21.671 4.066 1.00 55.09 C ATOM 990 H MET A1957 -21.753 -18.153 7.827 1.00 0.00 H ATOM 991 N ARG A1958 -18.865 -19.075 6.552 1.00 39.20 N ATOM 992 CA ARG A1958 -17.439 -19.197 6.300 1.00 41.76 C ATOM 993 C ARG A1958 -16.827 -20.270 7.206 1.00 47.25 C ATOM 994 O ARG A1958 -16.050 -21.107 6.748 1.00 43.17 O ATOM 995 CB ARG A1958 -16.730 -17.858 6.512 1.00 45.55 C ATOM 996 CG ARG A1958 -15.263 -17.889 6.115 1.00 48.59 C ATOM 997 CD ARG A1958 -14.458 -16.808 6.817 1.00 43.38 C ATOM 998 NE ARG A1958 -14.801 -15.466 6.350 1.00 47.25 N ATOM 999 CZ ARG A1958 -14.354 -14.925 5.220 1.00 51.71 C ATOM 1000 NH1 ARG A1958 -13.556 -15.620 4.414 1.00 48.10 N ATOM 1001 NH2 ARG A1958 -14.713 -13.689 4.889 1.00 46.56 N ATOM 1002 HE ARG A1958 -15.438 -14.895 6.942 1.00 0.00 H ATOM 1003 HH12 ARG A1958 -13.209 -15.193 3.531 1.00 0.00 H ATOM 1004 HH11 ARG A1958 -13.279 -16.590 4.666 1.00 0.00 H ATOM 1005 HH22 ARG A1958 -14.364 -13.265 4.006 1.00 0.00 H ATOM 1006 HH21 ARG A1958 -15.343 -13.146 5.513 1.00 0.00 H ATOM 1007 H ARG A1958 -19.244 -18.191 6.947 1.00 0.00 H ATOM 1008 N LYS A1959 -17.189 -20.245 8.487 1.00 40.24 N ATOM 1009 CA LYS A1959 -16.674 -21.216 9.447 1.00 39.01 C ATOM 1010 C LYS A1959 -17.089 -22.616 9.034 1.00 43.41 C ATOM 1011 O LYS A1959 -16.293 -23.556 9.060 1.00 45.89 O ATOM 1012 CB LYS A1959 -17.180 -20.908 10.858 1.00 41.69 C ATOM 1013 CG LYS A1959 -16.607 -21.822 11.935 1.00 53.07 C ATOM 1014 CD LYS A1959 -15.134 -21.528 12.142 1.00 63.64 C ATOM 1015 CE LYS A1959 -14.563 -22.296 13.312 1.00 75.19 C ATOM 1016 NZ LYS A1959 -13.143 -21.916 13.556 1.00 84.93 N ATOM 1017 HZ1 LYS A1959 -12.578 -22.128 12.709 1.00 0.00 H ATOM 1018 HZ2 LYS A1959 -13.089 -20.899 13.765 1.00 0.00 H ATOM 1019 HZ3 LYS A1959 -12.775 -22.457 14.364 1.00 0.00 H ATOM 1020 H LYS A1959 -17.855 -19.515 8.812 1.00 0.00 H ATOM 1021 N TYR A1960 -18.351 -22.738 8.646 1.00 40.46 N ATOM 1022 CA TYR A1960 -18.920 -24.000 8.189 1.00 45.17 C ATOM 1023 C TYR A1960 -18.159 -24.549 6.965 1.00 49.96 C ATOM 1024 O TYR A1960 -17.804 -25.732 6.915 1.00 38.16 O ATOM 1025 CB TYR A1960 -20.403 -23.782 7.870 1.00 46.28 C ATOM 1026 CG TYR A1960 -21.200 -25.026 7.580 1.00 48.32 C ATOM 1027 CD1 TYR A1960 -21.562 -25.893 8.600 1.00 45.57 C ATOM 1028 CD2 TYR A1960 -21.619 -25.319 6.286 1.00 48.93 C ATOM 1029 CE1 TYR A1960 -22.302 -27.029 8.342 1.00 51.74 C ATOM 1030 CE2 TYR A1960 -22.363 -26.452 6.018 1.00 52.78 C ATOM 1031 CZ TYR A1960 -22.701 -27.302 7.048 1.00 53.75 C ATOM 1032 OH TYR A1960 -23.440 -28.428 6.785 1.00 56.02 O ATOM 1033 HH TYR A1960 -24.310 -28.166 6.391 1.00 0.00 H ATOM 1034 H TYR A1960 -18.962 -21.897 8.669 1.00 0.00 H ATOM 1035 N PHE A1961 -17.888 -23.681 5.992 1.00 43.25 N ATOM 1036 CA PHE A1961 -17.148 -24.089 4.798 1.00 42.59 C ATOM 1037 C PHE A1961 -15.733 -24.550 5.115 1.00 48.65 C ATOM 1038 O PHE A1961 -15.302 -25.600 4.639 1.00 49.48 O ATOM 1039 CB PHE A1961 -17.076 -22.953 3.775 1.00 40.88 C ATOM 1040 CG PHE A1961 -16.107 -23.219 2.647 1.00 45.44 C ATOM 1041 CD1 PHE A1961 -16.424 -24.127 1.640 1.00 46.24 C ATOM 1042 CD2 PHE A1961 -14.877 -22.570 2.594 1.00 42.66 C ATOM 1043 CE1 PHE A1961 -15.533 -24.383 0.601 1.00 44.79 C ATOM 1044 CE2 PHE A1961 -13.980 -22.823 1.552 1.00 38.92 C ATOM 1045 CZ PHE A1961 -14.309 -23.730 0.561 1.00 39.67 C ATOM 1046 H PHE A1961 -18.208 -22.696 6.083 1.00 0.00 H ATOM 1047 N GLU A1962 -15.007 -23.769 5.912 1.00 48.99 N ATOM 1048 CA GLU A1962 -13.590 -24.046 6.119 1.00 47.80 C ATOM 1049 C GLU A1962 -13.362 -25.384 6.811 1.00 49.90 C ATOM 1050 O GLU A1962 -12.395 -26.077 6.502 1.00 53.61 O ATOM 1051 CB GLU A1962 -12.913 -22.920 6.912 1.00 42.79 C ATOM 1052 CG GLU A1962 -12.887 -21.546 6.217 1.00 40.88 C ATOM 1053 CD GLU A1962 -12.177 -21.533 4.860 1.00 53.40 C ATOM 1054 OE1 GLU A1962 -11.481 -22.513 4.508 1.00 50.81 O ATOM 1055 OE2 GLU A1962 -12.316 -20.524 4.132 1.00 48.75 O ATOM 1056 H GLU A1962 -15.452 -22.959 6.389 1.00 0.00 H ATOM 1057 N LYS A1963 -14.249 -25.759 7.729 1.00 50.20 N ATOM 1058 CA LYS A1963 -14.108 -27.049 8.404 1.00 50.01 C ATOM 1059 C LYS A1963 -14.346 -28.194 7.423 1.00 55.45 C ATOM 1060 O LYS A1963 -13.640 -29.200 7.447 1.00 59.31 O ATOM 1061 CB LYS A1963 -15.071 -27.178 9.582 1.00 45.27 C ATOM 1062 CG LYS A1963 -14.691 -28.329 10.526 1.00 58.06 C ATOM 1063 CD LYS A1963 -15.886 -28.875 11.278 1.00 64.15 C ATOM 1064 CE LYS A1963 -15.450 -29.809 12.403 1.00 68.89 C ATOM 1065 NZ LYS A1963 -14.540 -30.877 11.912 1.00 66.26 N ATOM 1066 HZ1 LYS A1963 -15.029 -31.442 11.189 1.00 0.00 H ATOM 1067 HZ2 LYS A1963 -13.690 -30.443 11.499 1.00 0.00 H ATOM 1068 HZ3 LYS A1963 -14.267 -31.490 12.706 1.00 0.00 H ATOM 1069 H LYS A1963 -15.045 -25.133 7.967 1.00 0.00 H ATOM 1070 N LYS A1964 -15.349 -28.032 6.564 1.00 53.53 N ATOM 1071 CA LYS A1964 -15.650 -29.036 5.548 1.00 59.86 C ATOM 1072 C LYS A1964 -14.503 -29.158 4.565 1.00 53.47 C ATOM 1073 O LYS A1964 -14.148 -30.257 4.154 1.00 53.76 O ATOM 1074 CB LYS A1964 -16.940 -28.695 4.805 1.00 62.25 C ATOM 1075 CG LYS A1964 -18.168 -28.816 5.669 1.00 72.03 C ATOM 1076 CD LYS A1964 -19.417 -28.955 4.838 1.00 71.80 C ATOM 1077 CE LYS A1964 -20.564 -29.413 5.709 1.00 67.48 C ATOM 1078 NZ LYS A1964 -20.206 -30.634 6.471 1.00 68.19 N ATOM 1079 HZ1 LYS A1964 -19.968 -31.398 5.807 1.00 0.00 H ATOM 1080 HZ2 LYS A1964 -19.387 -30.434 7.079 1.00 0.00 H ATOM 1081 HZ3 LYS A1964 -21.013 -30.923 7.059 1.00 0.00 H ATOM 1082 H LYS A1964 -15.931 -27.172 6.618 1.00 0.00 H ATOM 1083 N TRP A1965 -13.929 -28.019 4.198 1.00 53.13 N ATOM 1084 CA TRP A1965 -12.773 -27.982 3.314 1.00 49.56 C ATOM 1085 C TRP A1965 -11.613 -28.800 3.883 1.00 57.76 C ATOM 1086 O TRP A1965 -11.032 -29.642 3.192 1.00 56.41 O ATOM 1087 CB TRP A1965 -12.327 -26.537 3.081 1.00 41.90 C ATOM 1088 CG TRP A1965 -11.416 -26.393 1.911 1.00 48.08 C ATOM 1089 CD1 TRP A1965 -10.093 -26.050 1.931 1.00 52.37 C ATOM 1090 CD2 TRP A1965 -11.758 -26.604 0.537 1.00 43.87 C ATOM 1091 NE1 TRP A1965 -9.594 -26.022 0.648 1.00 54.44 N ATOM 1092 CE2 TRP A1965 -10.597 -26.362 -0.225 1.00 45.15 C ATOM 1093 CE3 TRP A1965 -12.934 -26.971 -0.124 1.00 42.98 C ATOM 1094 CZ2 TRP A1965 -10.577 -26.481 -1.614 1.00 50.92 C ATOM 1095 CZ3 TRP A1965 -12.912 -27.087 -1.508 1.00 46.51 C ATOM 1096 CH2 TRP A1965 -11.742 -26.840 -2.235 1.00 46.18 C ATOM 1097 HE1 TRP A1965 -8.617 -25.782 0.384 1.00 0.00 H ATOM 1098 H TRP A1965 -14.318 -27.123 4.554 1.00 0.00 H ATOM 1099 N THR A1966 -11.285 -28.548 5.148 1.00 56.52 N ATOM 1100 CA THR A1966 -10.192 -29.255 5.808 1.00 57.01 C ATOM 1101 C THR A1966 -10.513 -30.728 5.996 1.00 58.26 C ATOM 1102 O THR A1966 -9.697 -31.592 5.675 1.00 68.22 O ATOM 1103 CB THR A1966 -9.865 -28.636 7.176 1.00 59.66 C ATOM 1104 OG1 THR A1966 -9.315 -27.330 6.982 1.00 62.58 O ATOM 1105 CG2 THR A1966 -8.853 -29.488 7.912 1.00 66.62 C ATOM 1106 HG1 THR A1966 -9.974 -26.763 6.509 1.00 0.00 H ATOM 1107 H THR A1966 -11.820 -27.831 5.678 1.00 0.00 H ATOM 1108 N ASP A1967 -11.703 -31.008 6.517 1.00 52.82 N ATOM 1109 CA ASP A1967 -12.130 -32.383 6.757 1.00 53.18 C ATOM 1110 C ASP A1967 -12.144 -33.214 5.477 1.00 63.05 C ATOM 1111 O ASP A1967 -11.871 -34.413 5.506 1.00 66.73 O ATOM 1112 CB ASP A1967 -13.517 -32.407 7.394 1.00 61.19 C ATOM 1113 CG ASP A1967 -13.514 -31.894 8.821 1.00 70.07 C ATOM 1114 OD1 ASP A1967 -12.416 -31.659 9.374 1.00 68.57 O ATOM 1115 OD2 ASP A1967 -14.612 -31.735 9.395 1.00 75.05 O ATOM 1116 H ASP A1967 -12.346 -30.228 6.760 1.00 0.00 H ATOM 1117 N THR A1968 -12.456 -32.572 4.353 1.00 60.17 N ATOM 1118 CA THR A1968 -12.613 -33.287 3.090 1.00 54.32 C ATOM 1119 C THR A1968 -11.285 -33.519 2.379 1.00 54.21 C ATOM 1120 O THR A1968 -10.986 -34.639 1.972 1.00 57.00 O ATOM 1121 CB THR A1968 -13.568 -32.536 2.144 1.00 51.87 C ATOM 1122 OG1 THR A1968 -14.870 -32.470 2.740 1.00 53.83 O ATOM 1123 CG2 THR A1968 -13.675 -33.244 0.801 1.00 55.76 C ATOM 1124 HG1 THR A1968 -14.812 -31.990 3.604 1.00 0.00 H ATOM 1125 H THR A1968 -12.590 -31.541 4.375 1.00 0.00 H ATOM 1126 N PHE A1969 -10.479 -32.472 2.255 1.00 57.16 N ATOM 1127 CA PHE A1969 -9.322 -32.514 1.364 1.00 65.93 C ATOM 1128 C PHE A1969 -7.979 -32.565 2.069 1.00 82.75 C ATOM 1129 O PHE A1969 -7.099 -33.334 1.684 1.00 91.07 O ATOM 1130 CB PHE A1969 -9.353 -31.311 0.428 1.00 61.27 C ATOM 1131 CG PHE A1969 -10.459 -31.370 -0.569 1.00 57.05 C ATOM 1132 CD1 PHE A1969 -10.429 -32.304 -1.592 1.00 59.23 C ATOM 1133 CD2 PHE A1969 -11.539 -30.508 -0.482 1.00 52.62 C ATOM 1134 CE1 PHE A1969 -11.452 -32.371 -2.521 1.00 56.26 C ATOM 1135 CE2 PHE A1969 -12.567 -30.569 -1.407 1.00 50.34 C ATOM 1136 CZ PHE A1969 -12.522 -31.503 -2.431 1.00 51.57 C ATOM 1137 H PHE A1969 -10.674 -31.608 2.801 1.00 0.00 H ATOM 1138 N LYS A1970 -7.814 -31.758 3.109 1.00 94.40 N ATOM 1139 CA LYS A1970 -6.559 -31.748 3.849 1.00104.95 C ATOM 1140 C LYS A1970 -6.488 -32.960 4.784 1.00113.11 C ATOM 1141 O LYS A1970 -5.881 -32.893 5.854 1.00116.24 O ATOM 1142 CB LYS A1970 -6.409 -30.435 4.623 1.00104.58 C ATOM 1143 CG LYS A1970 -6.730 -29.194 3.787 1.00102.45 C ATOM 1144 CD LYS A1970 -5.522 -28.284 3.607 1.00103.04 C ATOM 1145 CE LYS A1970 -5.823 -27.158 2.624 1.00101.21 C ATOM 1146 NZ LYS A1970 -6.138 -27.668 1.257 1.00102.33 N ATOM 1147 HZ1 LYS A1970 -5.325 -28.205 0.893 1.00 0.00 H ATOM 1148 HZ2 LYS A1970 -6.972 -28.287 1.303 1.00 0.00 H ATOM 1149 HZ3 LYS A1970 -6.335 -26.865 0.626 1.00 0.00 H ATOM 1150 H LYS A1970 -8.588 -31.127 3.399 1.00 0.00 H ATOM 1151 N VAL A1971 -7.115 -34.052 4.337 1.00113.66 N ATOM 1152 CA VAL A1971 -7.201 -35.351 5.014 1.00114.21 C ATOM 1153 C VAL A1971 -7.041 -35.291 6.533 1.00117.14 C ATOM 1154 O VAL A1971 -7.749 -34.544 7.211 1.00112.67 O ATOM 1155 CB VAL A1971 -6.153 -36.338 4.450 1.00114.61 C ATOM 1156 CG1 VAL A1971 -6.550 -37.774 4.771 1.00115.82 C ATOM 1157 CG2 VAL A1971 -6.011 -36.158 2.947 1.00111.60 C ATOM 1158 H VAL A1971 -7.590 -33.973 3.415 1.00 0.00 H TER 1159 VAL A1971 HETATM 1160 O HOH 1 -28.892 -23.678 13.012 1.00 59.82 O HETATM 1161 O HOH 2 -26.909 -22.771 -5.952 1.00 56.81 O HETATM 1162 O HOH 3 -21.534 -10.692 -3.852 1.00 42.40 O HETATM 1163 O HOH 4 -26.607 -24.339 -12.581 1.00 53.22 O HETATM 1164 O HOH 5 -12.115 -18.065 4.737 1.00 51.72 O HETATM 1165 O HOH 6 -23.254 -13.095 -2.270 1.00 37.99 O HETATM 1166 O HOH 7 -22.517 -22.057 -17.684 1.00 47.61 O HETATM 1167 O HOH 8 -22.274 -9.256 0.030 1.00 38.14 O HETATM 1168 O HOH 9 -28.895 -8.415 7.864 1.00 51.32 O HETATM 1169 O HOH 10 -20.280 -4.553 -9.223 1.00 59.64 O HETATM 1170 O HOH 11 -16.891 -31.793 8.070 1.00 57.93 O HETATM 1171 O HOH 12 -14.282 -8.981 -1.471 1.00 56.00 O HETATM 1172 O HOH 13 -26.972 -22.303 -10.440 1.00 47.74 O HETATM 1173 O HOH 14 -24.778 -9.069 -7.627 1.00 43.17 O HETATM 1174 O HOH 15 -30.669 -22.829 2.743 1.00 51.29 O HETATM 1175 O HOH 16 -14.668 -15.461 -9.894 1.00 60.53 O HETATM 1176 O HOH 17 -16.698 -14.023 7.562 1.00 42.85 O HETATM 1177 O HOH 18 -20.064 -11.063 7.243 1.00 41.39 O HETATM 1178 O HOH 19 -11.326 -15.233 -2.737 1.00 44.98 O HETATM 1179 O HOH 20 -13.202 -18.139 -11.032 1.00 57.33 O HETATM 1180 O HOH 21 -20.032 -16.537 13.734 1.00 60.69 O HETATM 1181 O HOH 22 -18.906 -30.245 8.809 1.00 59.41 O HETATM 1182 O HOH 23 -24.031 -32.803 -4.234 1.00 64.11 O HETATM 1183 O HOH 24 -18.302 -27.589 8.829 1.00 53.93 O HETATM 1184 O HOH 25 -20.505 -12.208 -10.625 1.00 50.41 O HETATM 1185 O HOH 26 -18.748 -12.952 5.783 1.00 36.79 O HETATM 1186 O HOH 27 -24.707 -3.695 7.528 1.00 55.71 O HETATM 1187 O HOH 28 14.931 -29.692 -14.960 1.00 52.64 O HETATM 1188 O HOH 29 -26.001 -28.114 5.545 1.00 50.99 O HETATM 1189 O HOH 30 -16.031 -17.501 10.571 1.00 47.35 O HETATM 1190 O HOH 31 -10.172 -14.812 1.509 1.00 55.02 O HETATM 1191 O HOH 32 -19.600 -8.516 8.507 1.00 48.07 O HETATM 1192 O HOH 33 -23.060 -12.792 -7.559 1.00 39.76 O HETATM 1193 O HOH 34 -25.801 -12.975 -2.411 1.00 40.00 O HETATM 1194 O HOH 35 -11.819 -12.786 -1.974 1.00 53.85 O HETATM 1195 O HOH 36 -21.963 -11.918 -0.238 1.00 45.61 O HETATM 1196 O HOH 37 -8.281 -30.082 -8.522 1.00 49.23 O HETATM 1197 O HOH 38 -15.118 -14.968 10.192 1.00 48.77 O HETATM 1198 O HOH 39 -15.154 -8.114 -4.675 1.00 42.19 O HETATM 1199 O HOH 40 -23.706 -14.228 -11.823 1.00 53.15 O HETATM 1200 O HOH 41 -31.083 -17.635 9.153 1.00 42.05 O HETATM 1201 O HOH 42 -28.466 -21.175 -4.792 1.00 57.33 O HETATM 1202 O HOH 43 -23.796 -11.051 -5.738 1.00 36.38 O HETATM 1203 O HOH 44 -30.229 -14.949 -2.039 1.00 49.03 O HETATM 1204 O HOH 45 -15.388 -35.936 -9.420 1.00 49.69 O HETATM 1205 O HOH 46 -11.060 -13.563 -6.526 1.00 69.97 O HETATM 1206 O HOH 47 -12.115 -18.252 -8.725 1.00 54.65 O HETATM 1207 O HOH 48 -7.973 -18.365 -0.585 1.00 56.67 O HETATM 1208 O HOH 49 -8.432 -31.202 -11.130 1.00 57.66 O HETATM 1209 O HOH 50 -28.551 -8.219 -9.839 1.00 64.14 O HETATM 1210 O HOH 51 -28.585 -25.676 8.950 1.00 48.49 O HETATM 1211 O HOH 52 -18.650 -4.603 11.506 1.00 58.60 O HETATM 1212 O HOH 53 -33.520 -10.125 8.582 1.00 65.63 O HETATM 1213 O HOH 54 -30.568 -12.140 -3.641 1.00 59.38 O HETATM 1214 O HOH 55 14.761 -37.154 -14.900 1.00 58.58 O HETATM 1215 O HOH 56 -15.812 -26.918 -12.939 1.00 42.57 O HETATM 1216 O HOH 57 8.895 -27.717 -3.216 1.00 71.73 O HETATM 1217 O HOH 58 -22.971 -12.148 -10.197 1.00 44.20 O HETATM 1218 O HOH 59 -9.644 -15.971 -0.975 1.00 57.94 O HETATM 1219 O HOH 60 -12.861 -8.803 -5.219 1.00 48.90 O HETATM 1220 O HOH 61 -8.050 -20.018 5.156 1.00 66.52 O HETATM 1221 O HOH 62 -28.145 -23.342 -8.367 1.00 59.96 O HETATM 1222 O HOH 63 -31.499 -8.862 6.702 1.00 59.15 O HETATM 1223 O HOH 64 -8.657 -20.709 7.731 1.00 82.76 O HETATM 1224 O HOH 65 -23.874 -9.474 -10.259 1.00 48.72 O HETATM 1225 O HOH 66 -21.988 -8.369 -11.724 1.00 70.45 O HETATM 1226 C13 UNN A 67 -25.180 -7.331 0.738 1.00 -0.01 C HETATM 1227 N12 UNN A 67 -24.834 -8.603 0.786 1.00 -0.31 N HETATM 1228 C10 UNN A 67 -25.729 -9.564 0.698 1.00 0.04 C HETATM 1229 C09 UNN A 67 -27.116 -9.303 0.561 1.00 0.07 C HETATM 1230 C15 UNN A 67 -27.528 -7.953 0.516 1.00 -0.03 C HETATM 1231 C14 UNN A 67 -26.532 -6.949 0.605 1.00 -0.05 C HETATM 1232 H16 UNN A 67 -26.805 -5.901 0.571 1.00 0.06 H HETATM 1233 H2 UNN A 67 -28.576 -7.692 0.416 1.00 0.06 H HETATM 1234 N08 UNN A 67 -28.054 -10.394 0.481 1.00 -0.32 N HETATM 1235 C02 UNN A 67 -29.372 -10.170 0.100 1.00 0.05 C HETATM 1236 C01 UNN A 67 -30.245 -11.298 0.576 1.00 -0.04 C HETATM 1237 H3 UNN A 67 -31.285 -11.111 0.270 1.00 0.03 H HETATM 1238 H4 UNN A 67 -30.192 -11.365 1.673 1.00 0.03 H HETATM 1239 H5 UNN A 67 -29.897 -12.243 0.134 1.00 0.03 H HETATM 1240 C03 UNN A 67 -29.460 -10.068 -1.439 1.00 0.09 C HETATM 1241 S04 UNN A 67 -30.885 -9.045 -1.871 1.00 -0.03 S HETATM 1242 C05 UNN A 67 -31.120 -7.786 -0.688 1.00 0.05 C HETATM 1243 H6 UNN A 67 -31.991 -7.176 -0.970 1.00 0.05 H HETATM 1244 H7 UNN A 67 -30.224 -7.149 -0.647 1.00 0.05 H HETATM 1245 H8 UNN A 67 -31.293 -8.239 0.299 1.00 0.05 H HETATM 1246 O06 UNN A 67 -30.724 -8.479 -3.227 1.00 -0.17 O HETATM 1247 O07 UNN A 67 -32.111 -9.890 -2.024 1.00 -0.17 O HETATM 1248 H11 UNN A 67 -29.581 -11.073 -1.870 1.00 0.05 H HETATM 1249 H12 UNN A 67 -28.541 -9.608 -1.833 1.00 0.05 H HETATM 1250 H10 UNN A 67 -29.722 -9.228 0.547 1.00 0.06 H HETATM 1251 H9 UNN A 67 -27.745 -11.350 0.709 1.00 0.18 H HETATM 1252 C11 UNN A 67 -25.254 -11.007 0.763 1.00 -0.02 C HETATM 1253 H13 UNN A 67 -24.159 -11.028 0.869 1.00 0.04 H HETATM 1254 H14 UNN A 67 -25.543 -11.530 -0.160 1.00 0.04 H HETATM 1255 H15 UNN A 67 -25.715 -11.506 1.628 1.00 0.04 H HETATM 1256 H1 UNN A 67 -24.414 -6.567 0.802 1.00 0.07 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1226 1227 1231 1256 CONECT 1227 1226 1228 CONECT 1228 1227 1229 1252 CONECT 1229 1228 1230 1234 CONECT 1230 1229 1231 1233 CONECT 1231 1226 1230 1232 CONECT 1232 1231 CONECT 1233 1230 CONECT 1234 1229 1235 1251 CONECT 1235 1234 1236 1240 1250 CONECT 1236 1235 1237 1238 1239 CONECT 1237 1236 CONECT 1238 1236 CONECT 1239 1236 CONECT 1240 1235 1241 1248 1249 CONECT 1241 1240 1242 1246 1247 CONECT 1242 1241 1243 1244 1245 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1242 CONECT 1246 1241 CONECT 1247 1241 CONECT 1248 1240 CONECT 1249 1240 CONECT 1250 1235 CONECT 1251 1234 CONECT 1252 1228 1253 1254 1255 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1252 CONECT 1256 1226 MASTER 0 0 0 0 0 0 0 0 1255 1 35 9 END
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PDBbind
116aa, >5L99_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5l96
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B (BAZ2B bromodomain)
Ligand Name
6RZ
EC.Number
E.C.-.-.-.-
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
IC50>500uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59: pp. 9919-9927
Ligand Properties
Formula
C
1
0
H
1
6
N
2
O
2
S
Molecular Weight
228.311
Exact Mass
228.093
No. of atoms
31
No. of bonds
31
Polar Surface Area
67.44
LOGP Value
1.60 (
Computed with XLOGP3
)
2.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
C[C@H](CS(=O)(=O)C)Nc1cccnc1C
InChI String
InChI=1S/C10H16N2O2S/c1-8(7-15(3,13)14)12-10-5-4-6-11-9(10)2/h4-6,8,12H,7H2,1-3H3/t8-/m1/s1
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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