Browse entries in the PDBbind-CN Database
HEADER 5MGG_COMPLEX COMPND 5MGG_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 182 18 ATOM 1 N SER A1856 -10.510 29.282 -12.040 1.00 41.22 N ATOM 2 CA SER A1856 -10.919 28.613 -13.274 1.00 45.63 C ATOM 3 C SER A1856 -10.817 29.590 -14.442 1.00 47.58 C ATOM 4 O SER A1856 -10.252 30.676 -14.291 1.00 43.61 O ATOM 5 CB SER A1856 -12.339 28.071 -13.149 1.00 40.64 C ATOM 6 OG SER A1856 -13.247 29.127 -12.910 1.00 40.88 O ATOM 7 HG SER A1856 -13.210 29.769 -13.663 1.00 0.00 H ATOM 8 HN3 SER A1856 -11.133 30.097 -11.866 1.00 0.00 H ATOM 9 HN2 SER A1856 -9.527 29.609 -12.134 1.00 0.00 H ATOM 10 HN1 SER A1856 -10.580 28.615 -11.246 1.00 0.00 H ATOM 11 N MET A1857 -11.363 29.206 -15.595 1.00 47.49 N ATOM 12 CA MET A1857 -11.278 30.025 -16.810 1.00 47.47 C ATOM 13 C MET A1857 -11.787 31.455 -16.585 1.00 41.40 C ATOM 14 O MET A1857 -12.944 31.648 -16.209 1.00 43.04 O ATOM 15 CB MET A1857 -12.068 29.364 -17.949 1.00 39.50 C ATOM 16 CG MET A1857 -11.636 29.806 -19.340 1.00 47.84 C ATOM 17 SD MET A1857 -12.798 29.339 -20.661 1.00 45.38 S ATOM 18 CE MET A1857 -13.068 27.605 -20.326 1.00 45.44 C ATOM 19 H MET A1857 -11.866 28.296 -15.635 1.00 0.00 H ATOM 20 N SER A1858 -10.910 32.440 -16.799 1.00 40.25 N ATOM 21 CA SER A1858 -11.225 33.875 -16.646 1.00 41.73 C ATOM 22 C SER A1858 -11.492 34.293 -15.196 1.00 53.02 C ATOM 23 O SER A1858 -11.946 35.410 -14.950 1.00 60.90 O ATOM 24 CB SER A1858 -12.437 34.274 -17.501 1.00 45.34 C ATOM 25 OG SER A1858 -12.254 33.923 -18.861 1.00 46.72 O ATOM 26 HG SER A1858 -13.052 34.194 -19.381 1.00 0.00 H ATOM 27 H SER A1858 -9.946 32.180 -17.091 1.00 0.00 H ATOM 28 N VAL A1859 -11.231 33.391 -14.252 1.00 49.09 N ATOM 29 CA VAL A1859 -11.372 33.688 -12.827 1.00 52.20 C ATOM 30 C VAL A1859 -9.996 33.558 -12.196 1.00 51.73 C ATOM 31 O VAL A1859 -9.575 32.469 -11.803 1.00 49.33 O ATOM 32 CB VAL A1859 -12.381 32.755 -12.125 1.00 46.66 C ATOM 33 CG1 VAL A1859 -12.458 33.056 -10.627 1.00 48.12 C ATOM 34 CG2 VAL A1859 -13.749 32.880 -12.768 1.00 48.80 C ATOM 35 H VAL A1859 -10.916 32.442 -14.538 1.00 0.00 H ATOM 36 N LYS A1860 -9.298 34.686 -12.135 1.00 58.68 N ATOM 37 CA LYS A1860 -7.889 34.715 -11.780 1.00 61.69 C ATOM 38 C LYS A1860 -7.707 34.683 -10.263 1.00 62.71 C ATOM 39 O LYS A1860 -8.363 35.416 -9.525 1.00 51.29 O ATOM 40 CB LYS A1860 -7.216 35.959 -12.401 1.00 62.91 C ATOM 41 CG LYS A1860 -7.539 36.171 -13.904 1.00 90.04 C ATOM 42 CD LYS A1860 -7.828 37.644 -14.266 1.00 90.90 C ATOM 43 CE LYS A1860 -8.833 37.782 -15.421 1.00 85.27 C ATOM 44 NZ LYS A1860 -10.261 37.659 -14.994 1.00 83.10 N ATOM 45 HZ1 LYS A1860 -10.413 36.726 -14.561 1.00 0.00 H ATOM 46 HZ2 LYS A1860 -10.480 38.404 -14.302 1.00 0.00 H ATOM 47 HZ3 LYS A1860 -10.880 37.762 -15.824 1.00 0.00 H ATOM 48 H LYS A1860 -9.778 35.583 -12.350 1.00 0.00 H ATOM 49 N LYS A1861 -6.835 33.798 -9.805 1.00 59.77 N ATOM 50 CA LYS A1861 -6.470 33.743 -8.408 1.00 57.06 C ATOM 51 C LYS A1861 -5.277 34.671 -8.213 1.00 69.00 C ATOM 52 O LYS A1861 -4.329 34.635 -9.000 1.00 75.55 O ATOM 53 CB LYS A1861 -6.147 32.302 -7.994 1.00 65.47 C ATOM 54 CG LYS A1861 -5.795 32.107 -6.520 1.00 75.35 C ATOM 55 CD LYS A1861 -5.598 30.623 -6.190 1.00 83.30 C ATOM 56 CE LYS A1861 -5.417 30.386 -4.688 1.00 90.95 C ATOM 57 NZ LYS A1861 -5.432 28.936 -4.324 1.00 90.40 N ATOM 58 HZ1 LYS A1861 -6.342 28.519 -4.604 1.00 0.00 H ATOM 59 HZ2 LYS A1861 -4.658 28.448 -4.819 1.00 0.00 H ATOM 60 HZ3 LYS A1861 -5.306 28.836 -3.297 1.00 0.00 H ATOM 61 H LYS A1861 -6.401 33.125 -10.468 1.00 0.00 H ATOM 62 N PRO A1862 -5.334 35.545 -7.196 1.00 66.08 N ATOM 63 CA PRO A1862 -4.164 36.376 -6.894 1.00 62.97 C ATOM 64 C PRO A1862 -2.984 35.476 -6.584 1.00 66.01 C ATOM 65 O PRO A1862 -3.151 34.505 -5.842 1.00 67.29 O ATOM 66 CB PRO A1862 -4.597 37.180 -5.663 1.00 63.85 C ATOM 67 CG PRO A1862 -6.089 37.173 -5.714 1.00 69.31 C ATOM 68 CD PRO A1862 -6.475 35.853 -6.322 1.00 70.16 C ATOM 69 N LYS A1863 -1.830 35.760 -7.174 1.00 80.87 N ATOM 70 CA LYS A1863 -0.661 34.916 -6.966 1.00 90.89 C ATOM 71 C LYS A1863 0.533 35.754 -6.554 1.00 86.19 C ATOM 72 O LYS A1863 0.620 36.935 -6.890 1.00 79.98 O ATOM 73 CB LYS A1863 -0.330 34.118 -8.222 1.00 92.30 C ATOM 74 CG LYS A1863 -0.411 34.913 -9.505 1.00100.25 C ATOM 75 CD LYS A1863 0.316 34.210 -10.633 1.00105.81 C ATOM 76 CE LYS A1863 0.875 35.212 -11.627 1.00109.99 C ATOM 77 NZ LYS A1863 2.224 35.712 -11.241 1.00111.08 N ATOM 78 HZ1 LYS A1863 2.167 36.180 -10.314 1.00 0.00 H ATOM 79 HZ2 LYS A1863 2.886 34.912 -11.187 1.00 0.00 H ATOM 80 HZ3 LYS A1863 2.557 36.392 -11.954 1.00 0.00 H ATOM 81 H LYS A1863 -1.759 36.594 -7.791 1.00 0.00 H ATOM 82 N ARG A1864 1.448 35.144 -5.812 1.00 84.21 N ATOM 83 CA ARG A1864 2.588 35.870 -5.280 1.00 79.99 C ATOM 84 C ARG A1864 3.536 36.325 -6.381 1.00 76.40 C ATOM 85 O ARG A1864 3.597 35.742 -7.465 1.00 72.40 O ATOM 86 CB ARG A1864 3.327 35.014 -4.235 1.00 78.32 C ATOM 87 CG ARG A1864 3.762 33.640 -4.714 1.00 76.91 C ATOM 88 CD ARG A1864 4.465 32.859 -3.604 1.00 73.41 C ATOM 89 NE ARG A1864 5.698 33.509 -3.163 1.00 71.61 N ATOM 90 CZ ARG A1864 6.847 33.457 -3.832 1.00 66.22 C ATOM 91 NH1 ARG A1864 7.925 34.069 -3.359 1.00 53.41 N ATOM 92 NH2 ARG A1864 6.910 32.802 -4.986 1.00 68.46 N ATOM 93 HE ARG A1864 5.676 34.045 -2.272 1.00 0.00 H ATOM 94 HH12 ARG A1864 8.821 34.025 -3.886 1.00 0.00 H ATOM 95 HH11 ARG A1864 7.874 34.592 -2.462 1.00 0.00 H ATOM 96 HH22 ARG A1864 7.806 32.759 -5.511 1.00 0.00 H ATOM 97 HH21 ARG A1864 6.063 32.332 -5.364 1.00 0.00 H ATOM 98 H ARG A1864 1.347 34.129 -5.608 1.00 0.00 H ATOM 99 N ASP A1865 4.244 37.408 -6.094 1.00 75.36 N ATOM 100 CA ASP A1865 5.327 37.864 -6.941 1.00 76.55 C ATOM 101 C ASP A1865 6.477 36.868 -6.840 1.00 70.98 C ATOM 102 O ASP A1865 7.011 36.635 -5.754 1.00 70.07 O ATOM 103 CB ASP A1865 5.773 39.265 -6.524 1.00 82.54 C ATOM 104 CG ASP A1865 7.075 39.677 -7.166 1.00 91.09 C ATOM 105 OD1 ASP A1865 7.296 39.318 -8.343 1.00 85.82 O ATOM 106 OD2 ASP A1865 7.875 40.359 -6.487 1.00 98.83 O ATOM 107 H ASP A1865 4.015 37.947 -5.234 1.00 0.00 H ATOM 108 N ASP A1866 6.851 36.282 -7.974 1.00 61.45 N ATOM 109 CA ASP A1866 7.846 35.214 -8.001 1.00 55.66 C ATOM 110 C ASP A1866 9.198 35.669 -8.549 1.00 52.55 C ATOM 111 O ASP A1866 10.103 34.857 -8.750 1.00 53.24 O ATOM 112 CB ASP A1866 7.324 34.040 -8.838 1.00 60.94 C ATOM 113 CG ASP A1866 7.286 34.349 -10.332 1.00 70.96 C ATOM 114 OD1 ASP A1866 7.231 35.537 -10.722 1.00 74.73 O ATOM 115 OD2 ASP A1866 7.304 33.388 -11.125 1.00 82.24 O ATOM 116 H ASP A1866 6.422 36.594 -8.868 1.00 0.00 H ATOM 117 N SER A1867 9.328 36.966 -8.795 1.00 44.41 N ATOM 118 CA SER A1867 10.475 37.494 -9.532 1.00 57.72 C ATOM 119 C SER A1867 11.798 37.383 -8.787 1.00 55.54 C ATOM 120 O SER A1867 12.859 37.410 -9.403 1.00 61.93 O ATOM 121 CB SER A1867 10.232 38.958 -9.900 1.00 59.52 C ATOM 122 OG SER A1867 10.042 39.737 -8.734 1.00 65.34 O ATOM 123 HG SER A1867 9.258 39.396 -8.235 1.00 0.00 H ATOM 124 H SER A1867 8.597 37.623 -8.456 1.00 0.00 H ATOM 125 N LYS A1868 11.746 37.268 -7.466 1.00 56.53 N ATOM 126 CA LYS A1868 12.979 37.112 -6.703 1.00 49.48 C ATOM 127 C LYS A1868 13.256 35.653 -6.337 1.00 45.59 C ATOM 128 O LYS A1868 14.281 35.347 -5.731 1.00 50.17 O ATOM 129 CB LYS A1868 12.941 37.968 -5.438 1.00 61.69 C ATOM 130 CG LYS A1868 13.083 39.465 -5.694 1.00 62.42 C ATOM 131 CD LYS A1868 12.979 40.261 -4.395 1.00 75.54 C ATOM 132 CE LYS A1868 13.052 41.767 -4.663 1.00 85.01 C ATOM 133 NZ LYS A1868 12.690 42.594 -3.472 1.00 85.26 N ATOM 134 HZ1 LYS A1868 11.717 42.373 -3.181 1.00 0.00 H ATOM 135 HZ2 LYS A1868 13.344 42.381 -2.692 1.00 0.00 H ATOM 136 HZ3 LYS A1868 12.759 43.602 -3.718 1.00 0.00 H ATOM 137 H LYS A1868 10.829 37.289 -6.976 1.00 0.00 H ATOM 138 N ASP A1869 12.362 34.750 -6.727 1.00 41.63 N ATOM 139 CA ASP A1869 12.470 33.341 -6.309 1.00 45.22 C ATOM 140 C ASP A1869 13.779 32.685 -6.722 1.00 47.30 C ATOM 141 O ASP A1869 14.426 32.020 -5.907 1.00 39.42 O ATOM 142 CB ASP A1869 11.303 32.523 -6.860 1.00 38.98 C ATOM 143 CG ASP A1869 10.009 32.805 -6.133 1.00 48.26 C ATOM 144 OD1 ASP A1869 10.013 33.711 -5.270 1.00 51.16 O ATOM 145 OD2 ASP A1869 8.996 32.133 -6.429 1.00 45.54 O ATOM 146 H ASP A1869 11.573 35.043 -7.338 1.00 0.00 H ATOM 147 N LEU A1870 14.161 32.880 -7.985 1.00 37.83 N ATOM 148 CA LEU A1870 15.376 32.284 -8.523 1.00 45.88 C ATOM 149 C LEU A1870 16.597 32.714 -7.716 1.00 49.62 C ATOM 150 O LEU A1870 17.409 31.880 -7.302 1.00 46.89 O ATOM 151 CB LEU A1870 15.554 32.663 -9.994 1.00 44.48 C ATOM 152 CG LEU A1870 16.796 32.096 -10.674 1.00 41.45 C ATOM 153 CD1 LEU A1870 16.683 30.576 -10.728 1.00 42.58 C ATOM 154 CD2 LEU A1870 16.982 32.689 -12.078 1.00 46.88 C ATOM 155 H LEU A1870 13.574 33.475 -8.604 1.00 0.00 H ATOM 156 N ALA A1871 16.708 34.019 -7.487 1.00 43.72 N ATOM 157 CA ALA A1871 17.800 34.585 -6.704 1.00 47.90 C ATOM 158 C ALA A1871 17.801 34.054 -5.269 1.00 46.06 C ATOM 159 O ALA A1871 18.854 33.716 -4.725 1.00 44.60 O ATOM 160 CB ALA A1871 17.714 36.105 -6.703 1.00 42.24 C ATOM 161 H ALA A1871 15.990 34.660 -7.881 1.00 0.00 H ATOM 162 N LEU A1872 16.618 33.988 -4.668 1.00 39.16 N ATOM 163 CA LEU A1872 16.478 33.500 -3.299 1.00 44.92 C ATOM 164 C LEU A1872 16.866 32.019 -3.175 1.00 49.11 C ATOM 165 O LEU A1872 17.565 31.635 -2.240 1.00 40.79 O ATOM 166 CB LEU A1872 15.044 33.722 -2.804 1.00 40.13 C ATOM 167 CG LEU A1872 14.682 35.194 -2.572 1.00 42.79 C ATOM 168 CD1 LEU A1872 13.234 35.342 -2.140 1.00 44.93 C ATOM 169 CD2 LEU A1872 15.617 35.830 -1.555 1.00 47.25 C ATOM 170 H LEU A1872 15.769 34.292 -5.186 1.00 0.00 H ATOM 171 N CYS A1873 16.436 31.195 -4.128 1.00 42.20 N ATOM 172 CA CYS A1873 16.804 29.780 -4.101 1.00 40.01 C ATOM 173 C CYS A1873 18.305 29.600 -4.291 1.00 43.56 C ATOM 174 O CYS A1873 18.909 28.738 -3.650 1.00 39.67 O ATOM 175 CB CYS A1873 16.046 28.988 -5.157 1.00 29.27 C ATOM 176 SG CYS A1873 14.321 28.749 -4.713 1.00 37.44 S ATOM 177 H CYS A1873 15.836 31.559 -4.895 1.00 0.00 H ATOM 178 N SER A1874 18.916 30.420 -5.142 1.00 36.78 N ATOM 179 CA SER A1874 20.364 30.342 -5.317 1.00 39.79 C ATOM 180 C SER A1874 21.064 30.680 -3.996 1.00 45.65 C ATOM 181 O SER A1874 22.069 30.065 -3.639 1.00 42.28 O ATOM 182 CB SER A1874 20.830 31.278 -6.435 1.00 35.49 C ATOM 183 OG SER A1874 22.239 31.253 -6.563 1.00 44.08 O ATOM 184 HG SER A1874 22.652 31.544 -5.712 1.00 0.00 H ATOM 185 H SER A1874 18.363 31.116 -5.682 1.00 0.00 H ATOM 186 N MET A1875 20.517 31.663 -3.287 1.00 39.86 N ATOM 187 CA MET A1875 21.067 32.125 -2.018 1.00 47.15 C ATOM 188 C MET A1875 20.991 31.016 -0.974 1.00 42.53 C ATOM 189 O MET A1875 21.978 30.706 -0.304 1.00 38.49 O ATOM 190 CB MET A1875 20.305 33.363 -1.537 1.00 47.83 C ATOM 191 CG MET A1875 21.132 34.359 -0.774 1.00 71.15 C ATOM 192 SD MET A1875 20.276 35.946 -0.714 1.00118.40 S ATOM 193 CE MET A1875 19.953 36.212 -2.450 1.00 46.10 C ATOM 194 H MET A1875 19.659 32.123 -3.654 1.00 0.00 H ATOM 195 N ILE A1876 19.806 30.427 -0.850 1.00 34.25 N ATOM 196 CA ILE A1876 19.578 29.333 0.084 1.00 41.65 C ATOM 197 C ILE A1876 20.482 28.153 -0.241 1.00 42.55 C ATOM 198 O ILE A1876 21.075 27.553 0.657 1.00 40.56 O ATOM 199 CB ILE A1876 18.099 28.893 0.079 1.00 38.98 C ATOM 200 CG1 ILE A1876 17.225 30.023 0.633 1.00 34.13 C ATOM 201 CG2 ILE A1876 17.903 27.638 0.914 1.00 38.79 C ATOM 202 CD1 ILE A1876 15.746 29.698 0.684 1.00 45.77 C ATOM 203 H ILE A1876 19.016 30.758 -1.439 1.00 0.00 H ATOM 204 N LEU A1877 20.620 27.848 -1.530 1.00 37.96 N ATOM 205 CA LEU A1877 21.467 26.741 -1.954 1.00 33.97 C ATOM 206 C LEU A1877 22.937 27.012 -1.655 1.00 37.48 C ATOM 207 O LEU A1877 23.670 26.103 -1.278 1.00 36.63 O ATOM 208 CB LEU A1877 21.271 26.456 -3.446 1.00 33.64 C ATOM 209 CG LEU A1877 22.026 25.255 -4.016 1.00 36.29 C ATOM 210 CD1 LEU A1877 21.633 23.951 -3.317 1.00 27.68 C ATOM 211 CD2 LEU A1877 21.800 25.161 -5.549 1.00 36.94 C ATOM 212 H LEU A1877 20.115 28.409 -2.245 1.00 0.00 H ATOM 213 N THR A1878 23.370 28.263 -1.814 1.00 34.18 N ATOM 214 CA THR A1878 24.738 28.636 -1.459 1.00 38.42 C ATOM 215 C THR A1878 24.986 28.431 0.042 1.00 41.32 C ATOM 216 O THR A1878 26.056 27.978 0.461 1.00 39.02 O ATOM 217 CB THR A1878 25.046 30.105 -1.820 1.00 43.65 C ATOM 218 OG1 THR A1878 25.026 30.269 -3.244 1.00 45.20 O ATOM 219 CG2 THR A1878 26.418 30.499 -1.292 1.00 43.10 C ATOM 220 HG1 THR A1878 25.224 31.212 -3.469 1.00 0.00 H ATOM 221 H THR A1878 22.725 28.984 -2.196 1.00 0.00 H ATOM 222 N GLU A1879 23.987 28.760 0.850 1.00 39.95 N ATOM 223 CA GLU A1879 24.108 28.572 2.299 1.00 40.25 C ATOM 224 C GLU A1879 24.173 27.079 2.647 1.00 37.91 C ATOM 225 O GLU A1879 24.903 26.678 3.545 1.00 41.24 O ATOM 226 CB GLU A1879 22.949 29.254 3.023 1.00 35.93 C ATOM 227 CG GLU A1879 23.065 30.767 2.999 1.00 60.58 C ATOM 228 CD GLU A1879 21.938 31.459 3.732 1.00 89.84 C ATOM 229 OE1 GLU A1879 20.764 31.116 3.482 1.00 94.04 O ATOM 230 OE2 GLU A1879 22.228 32.347 4.563 1.00108.38 O ATOM 231 H GLU A1879 23.111 29.155 0.453 1.00 0.00 H ATOM 232 N MET A1880 23.420 26.260 1.919 1.00 41.49 N ATOM 233 CA MET A1880 23.492 24.809 2.110 1.00 37.32 C ATOM 234 C MET A1880 24.888 24.316 1.783 1.00 42.84 C ATOM 235 O MET A1880 25.493 23.583 2.552 1.00 39.02 O ATOM 236 CB MET A1880 22.482 24.091 1.227 1.00 38.57 C ATOM 237 CG MET A1880 21.078 24.571 1.400 1.00 47.05 C ATOM 238 SD MET A1880 20.398 23.917 2.911 1.00 61.07 S ATOM 239 CE MET A1880 20.040 22.250 2.376 1.00 66.69 C ATOM 240 H MET A1880 22.773 26.653 1.206 1.00 0.00 H ATOM 241 N GLU A1881 25.387 24.731 0.621 1.00 41.37 N ATOM 242 CA GLU A1881 26.669 24.263 0.117 1.00 38.70 C ATOM 243 C GLU A1881 27.820 24.657 1.036 1.00 41.27 C ATOM 244 O GLU A1881 28.825 23.953 1.114 1.00 44.80 O ATOM 245 CB GLU A1881 26.906 24.802 -1.309 1.00 38.77 C ATOM 246 CG GLU A1881 25.963 24.211 -2.368 1.00 37.37 C ATOM 247 CD GLU A1881 26.043 24.920 -3.735 1.00 55.66 C ATOM 248 OE1 GLU A1881 26.071 26.172 -3.776 1.00 48.01 O ATOM 249 OE2 GLU A1881 26.072 24.217 -4.772 1.00 67.93 O ATOM 250 H GLU A1881 24.842 25.412 0.055 1.00 0.00 H ATOM 251 N THR A1882 27.676 25.777 1.740 1.00 37.71 N ATOM 252 CA THR A1882 28.764 26.274 2.584 1.00 44.95 C ATOM 253 C THR A1882 28.673 25.766 4.033 1.00 46.12 C ATOM 254 O THR A1882 29.609 25.928 4.813 1.00 51.12 O ATOM 255 CB THR A1882 28.811 27.824 2.583 1.00 41.72 C ATOM 256 OG1 THR A1882 27.559 28.346 3.038 1.00 52.31 O ATOM 257 CG2 THR A1882 29.072 28.335 1.185 1.00 48.88 C ATOM 258 HG1 THR A1882 26.836 28.039 2.435 1.00 0.00 H ATOM 259 H THR A1882 26.781 26.305 1.690 1.00 0.00 H ATOM 260 N HIS A1883 27.547 25.156 4.381 1.00 37.50 N ATOM 261 CA HIS A1883 27.364 24.504 5.689 1.00 37.47 C ATOM 262 C HIS A1883 28.406 23.402 5.895 1.00 41.54 C ATOM 263 O HIS A1883 28.702 22.649 4.970 1.00 41.86 O ATOM 264 CB HIS A1883 25.952 23.927 5.778 1.00 32.47 C ATOM 265 CG HIS A1883 25.527 23.545 7.164 1.00 34.19 C ATOM 266 ND1 HIS A1883 26.237 22.664 7.946 1.00 38.65 N ATOM 267 CD2 HIS A1883 24.427 23.886 7.878 1.00 41.45 C ATOM 268 CE1 HIS A1883 25.606 22.495 9.098 1.00 45.10 C ATOM 269 NE2 HIS A1883 24.505 23.220 9.080 1.00 44.93 N ATOM 270 H HIS A1883 26.760 25.138 3.701 1.00 0.00 H ATOM 271 N GLU A1884 28.959 23.287 7.097 1.00 42.36 N ATOM 272 CA GLU A1884 30.051 22.334 7.309 1.00 44.31 C ATOM 273 C GLU A1884 29.596 20.878 7.169 1.00 39.87 C ATOM 274 O GLU A1884 30.403 20.001 6.875 1.00 41.01 O ATOM 275 CB GLU A1884 30.717 22.557 8.683 1.00 54.40 C ATOM 276 CG GLU A1884 29.983 21.979 9.878 1.00 57.71 C ATOM 277 CD GLU A1884 30.833 21.989 11.151 1.00 73.33 C ATOM 278 OE1 GLU A1884 30.632 22.884 12.002 1.00 75.87 O ATOM 279 OE2 GLU A1884 31.699 21.096 11.301 1.00 64.91 O ATOM 280 H GLU A1884 28.617 23.872 7.886 1.00 0.00 H ATOM 281 N ASP A1885 28.308 20.618 7.368 1.00 33.65 N ATOM 282 CA ASP A1885 27.806 19.250 7.240 1.00 35.24 C ATOM 283 C ASP A1885 27.277 18.968 5.820 1.00 38.17 C ATOM 284 O ASP A1885 26.558 17.992 5.614 1.00 37.03 O ATOM 285 CB ASP A1885 26.689 18.964 8.255 1.00 30.56 C ATOM 286 CG ASP A1885 27.151 19.109 9.723 1.00 40.05 C ATOM 287 OD1 ASP A1885 28.371 19.048 10.009 1.00 36.61 O ATOM 288 OD2 ASP A1885 26.268 19.281 10.583 1.00 40.22 O ATOM 289 H ASP A1885 27.655 21.389 7.615 1.00 0.00 H ATOM 290 N ALA A1886 27.625 19.819 4.855 1.00 30.38 N ATOM 291 CA ALA A1886 27.140 19.636 3.484 1.00 36.28 C ATOM 292 C ALA A1886 27.945 18.588 2.711 1.00 39.21 C ATOM 293 O ALA A1886 27.529 18.154 1.632 1.00 40.65 O ATOM 294 CB ALA A1886 27.160 20.962 2.722 1.00 34.58 C ATOM 295 H ALA A1886 28.248 20.622 5.077 1.00 0.00 H ATOM 296 N TRP A1887 29.087 18.181 3.263 1.00 40.63 N ATOM 297 CA TRP A1887 30.025 17.353 2.516 1.00 39.15 C ATOM 298 C TRP A1887 29.442 16.038 1.949 1.00 43.57 C ATOM 299 O TRP A1887 29.890 15.603 0.894 1.00 39.90 O ATOM 300 CB TRP A1887 31.274 17.035 3.360 1.00 37.11 C ATOM 301 CG TRP A1887 31.002 16.357 4.648 1.00 42.90 C ATOM 302 CD1 TRP A1887 30.829 16.955 5.867 1.00 42.51 C ATOM 303 CD2 TRP A1887 30.877 14.947 4.871 1.00 46.30 C ATOM 304 NE1 TRP A1887 30.592 16.004 6.828 1.00 46.64 N ATOM 305 CE2 TRP A1887 30.615 14.761 6.245 1.00 48.47 C ATOM 306 CE3 TRP A1887 30.949 13.819 4.041 1.00 47.31 C ATOM 307 CZ2 TRP A1887 30.427 13.498 6.813 1.00 45.34 C ATOM 308 CZ3 TRP A1887 30.760 12.558 4.607 1.00 40.76 C ATOM 309 CH2 TRP A1887 30.498 12.412 5.979 1.00 49.34 C ATOM 310 HE1 TRP A1887 30.422 16.194 7.836 1.00 0.00 H ATOM 311 H TRP A1887 29.312 18.458 4.240 1.00 0.00 H ATOM 312 N PRO A1888 28.452 15.405 2.621 1.00 38.84 N ATOM 313 CA PRO A1888 28.005 14.181 1.939 1.00 36.82 C ATOM 314 C PRO A1888 27.110 14.458 0.721 1.00 41.24 C ATOM 315 O PRO A1888 26.756 13.506 0.025 1.00 35.67 O ATOM 316 CB PRO A1888 27.192 13.437 3.014 1.00 30.86 C ATOM 317 CG PRO A1888 27.512 14.147 4.347 1.00 36.42 C ATOM 318 CD PRO A1888 27.797 15.565 3.933 1.00 37.58 C ATOM 319 N PHE A1889 26.743 15.719 0.493 1.00 34.86 N ATOM 320 CA PHE A1889 25.693 16.055 -0.478 1.00 40.10 C ATOM 321 C PHE A1889 26.134 16.973 -1.622 1.00 34.69 C ATOM 322 O PHE A1889 25.314 17.384 -2.454 1.00 36.98 O ATOM 323 CB PHE A1889 24.520 16.701 0.265 1.00 35.20 C ATOM 324 CG PHE A1889 24.164 15.987 1.544 1.00 41.51 C ATOM 325 CD1 PHE A1889 23.561 14.731 1.503 1.00 38.81 C ATOM 326 CD2 PHE A1889 24.460 16.558 2.792 1.00 33.26 C ATOM 327 CE1 PHE A1889 23.250 14.057 2.672 1.00 39.79 C ATOM 328 CE2 PHE A1889 24.153 15.891 3.968 1.00 29.04 C ATOM 329 CZ PHE A1889 23.548 14.644 3.923 1.00 38.07 C ATOM 330 H PHE A1889 27.212 16.485 1.016 1.00 0.00 H ATOM 331 N LEU A1890 27.418 17.311 -1.652 1.00 35.43 N ATOM 332 CA LEU A1890 27.915 18.298 -2.603 1.00 38.13 C ATOM 333 C LEU A1890 27.994 17.728 -4.012 1.00 45.86 C ATOM 334 O LEU A1890 27.795 18.445 -4.993 1.00 49.13 O ATOM 335 CB LEU A1890 29.283 18.817 -2.165 1.00 43.81 C ATOM 336 CG LEU A1890 29.277 19.523 -0.800 1.00 43.34 C ATOM 337 CD1 LEU A1890 30.685 19.862 -0.377 1.00 39.43 C ATOM 338 CD2 LEU A1890 28.426 20.781 -0.864 1.00 39.95 C ATOM 339 H LEU A1890 28.080 16.864 -0.986 1.00 0.00 H ATOM 340 N LEU A1891 28.264 16.428 -4.097 1.00 41.07 N ATOM 341 CA LEU A1891 28.451 15.751 -5.374 1.00 39.06 C ATOM 342 C LEU A1891 27.562 14.509 -5.449 1.00 44.86 C ATOM 343 O LEU A1891 27.152 13.981 -4.415 1.00 42.48 O ATOM 344 CB LEU A1891 29.917 15.369 -5.551 1.00 42.49 C ATOM 345 CG LEU A1891 30.889 16.535 -5.694 1.00 48.61 C ATOM 346 CD1 LEU A1891 32.266 15.985 -6.010 1.00 48.36 C ATOM 347 CD2 LEU A1891 30.416 17.491 -6.790 1.00 47.78 C ATOM 348 H LEU A1891 28.345 15.875 -3.220 1.00 0.00 H ATOM 349 N PRO A1892 27.255 14.041 -6.671 1.00 40.67 N ATOM 350 CA PRO A1892 26.509 12.783 -6.811 1.00 46.14 C ATOM 351 C PRO A1892 27.186 11.641 -6.068 1.00 43.60 C ATOM 352 O PRO A1892 28.417 11.587 -6.018 1.00 45.04 O ATOM 353 CB PRO A1892 26.536 12.515 -8.325 1.00 41.30 C ATOM 354 CG PRO A1892 26.754 13.845 -8.938 1.00 45.09 C ATOM 355 CD PRO A1892 27.611 14.621 -7.976 1.00 42.72 C ATOM 356 N VAL A1893 26.401 10.739 -5.497 1.00 42.90 N ATOM 357 CA VAL A1893 26.982 9.523 -4.942 1.00 39.32 C ATOM 358 C VAL A1893 27.596 8.727 -6.100 1.00 48.94 C ATOM 359 O VAL A1893 26.979 8.578 -7.157 1.00 47.75 O ATOM 360 CB VAL A1893 25.934 8.687 -4.170 1.00 44.77 C ATOM 361 CG1 VAL A1893 26.438 7.267 -3.926 1.00 48.39 C ATOM 362 CG2 VAL A1893 25.565 9.381 -2.849 1.00 42.51 C ATOM 363 H VAL A1893 25.375 10.898 -5.445 1.00 0.00 H ATOM 364 N ASN A1894 28.831 8.269 -5.915 1.00 51.16 N ATOM 365 CA ASN A1894 29.529 7.495 -6.936 1.00 58.18 C ATOM 366 C ASN A1894 28.945 6.082 -7.028 1.00 68.55 C ATOM 367 O ASN A1894 29.275 5.202 -6.223 1.00 62.70 O ATOM 368 CB ASN A1894 31.030 7.450 -6.628 1.00 64.97 C ATOM 369 CG ASN A1894 31.864 6.981 -7.810 1.00 76.73 C ATOM 370 OD1 ASN A1894 31.450 6.112 -8.582 1.00 77.77 O ATOM 371 ND2 ASN A1894 33.051 7.561 -7.957 1.00 80.39 N ATOM 372 HD22 ASN A1894 33.361 8.290 -7.283 1.00 0.00 H ATOM 373 HD21 ASN A1894 33.670 7.286 -8.746 1.00 0.00 H ATOM 374 H ASN A1894 29.314 8.469 -5.016 1.00 0.00 H ATOM 375 N LEU A1895 28.076 5.877 -8.016 1.00 58.02 N ATOM 376 CA LEU A1895 27.304 4.645 -8.132 1.00 61.73 C ATOM 377 C LEU A1895 28.181 3.436 -8.430 1.00 69.42 C ATOM 378 O LEU A1895 27.706 2.300 -8.409 1.00 62.66 O ATOM 379 CB LEU A1895 26.239 4.787 -9.220 1.00 63.28 C ATOM 380 CG LEU A1895 25.220 5.907 -9.001 1.00 63.75 C ATOM 381 CD1 LEU A1895 24.168 5.895 -10.095 1.00 63.32 C ATOM 382 CD2 LEU A1895 24.572 5.793 -7.625 1.00 52.56 C ATOM 383 H LEU A1895 27.943 6.621 -8.730 1.00 0.00 H ATOM 384 N LYS A1896 29.456 3.678 -8.716 1.00 75.29 N ATOM 385 CA LYS A1896 30.377 2.594 -9.039 1.00 84.15 C ATOM 386 C LYS A1896 31.289 2.277 -7.854 1.00 87.60 C ATOM 387 O LYS A1896 32.073 1.334 -7.899 1.00 97.15 O ATOM 388 CB LYS A1896 31.205 2.953 -10.282 1.00 82.45 C ATOM 389 CG LYS A1896 30.411 2.964 -11.605 1.00 85.72 C ATOM 390 CD LYS A1896 29.058 2.239 -11.496 1.00 88.44 C ATOM 391 CE LYS A1896 28.109 2.616 -12.634 1.00 87.05 C ATOM 392 NZ LYS A1896 26.799 1.892 -12.562 1.00 87.31 N ATOM 393 HZ1 LYS A1896 26.967 0.867 -12.614 1.00 0.00 H ATOM 394 HZ2 LYS A1896 26.326 2.121 -11.664 1.00 0.00 H ATOM 395 HZ3 LYS A1896 26.197 2.187 -13.357 1.00 0.00 H ATOM 396 H LYS A1896 29.804 4.658 -8.709 1.00 0.00 H ATOM 397 N LEU A1897 31.177 3.065 -6.792 1.00 76.39 N ATOM 398 CA LEU A1897 31.996 2.862 -5.606 1.00 76.98 C ATOM 399 C LEU A1897 31.139 2.576 -4.384 1.00 73.20 C ATOM 400 O LEU A1897 31.640 2.127 -3.356 1.00 78.49 O ATOM 401 CB LEU A1897 32.876 4.086 -5.333 1.00 81.49 C ATOM 402 CG LEU A1897 33.895 4.495 -6.400 1.00 88.97 C ATOM 403 CD1 LEU A1897 34.826 5.583 -5.863 1.00 87.94 C ATOM 404 CD2 LEU A1897 34.689 3.293 -6.905 1.00 92.98 C ATOM 405 H LEU A1897 30.489 3.845 -6.808 1.00 0.00 H ATOM 406 N VAL A1898 29.847 2.857 -4.483 1.00 65.06 N ATOM 407 CA VAL A1898 28.972 2.661 -3.338 1.00 62.37 C ATOM 408 C VAL A1898 28.028 1.512 -3.611 1.00 67.67 C ATOM 409 O VAL A1898 27.129 1.616 -4.448 1.00 65.26 O ATOM 410 CB VAL A1898 28.167 3.924 -2.992 1.00 59.86 C ATOM 411 CG1 VAL A1898 27.316 3.675 -1.749 1.00 52.40 C ATOM 412 CG2 VAL A1898 29.112 5.101 -2.775 1.00 57.71 C ATOM 413 H VAL A1898 29.460 3.217 -5.378 1.00 0.00 H ATOM 414 N PRO A1899 28.250 0.401 -2.903 1.00 72.39 N ATOM 415 CA PRO A1899 27.489 -0.844 -3.009 1.00 78.88 C ATOM 416 C PRO A1899 26.019 -0.651 -2.665 1.00 73.25 C ATOM 417 O PRO A1899 25.700 -0.177 -1.571 1.00 70.27 O ATOM 418 CB PRO A1899 28.168 -1.755 -1.978 1.00 77.22 C ATOM 419 CG PRO A1899 29.519 -1.177 -1.778 1.00 77.30 C ATOM 420 CD PRO A1899 29.324 0.299 -1.902 1.00 78.42 C ATOM 421 N GLY A1900 25.137 -1.013 -3.589 1.00 61.15 N ATOM 422 CA GLY A1900 23.713 -1.005 -3.310 1.00 45.81 C ATOM 423 C GLY A1900 22.971 0.271 -3.663 1.00 47.55 C ATOM 424 O GLY A1900 21.749 0.245 -3.799 1.00 55.69 O ATOM 425 H GLY A1900 25.472 -1.307 -4.528 1.00 0.00 H ATOM 426 N TYR A1901 23.688 1.383 -3.819 1.00 50.82 N ATOM 427 CA TYR A1901 23.026 2.688 -3.983 1.00 52.30 C ATOM 428 C TYR A1901 22.167 2.787 -5.255 1.00 53.90 C ATOM 429 O TYR A1901 21.003 3.196 -5.199 1.00 41.83 O ATOM 430 CB TYR A1901 24.053 3.824 -3.979 1.00 52.74 C ATOM 431 CG TYR A1901 23.450 5.144 -3.529 1.00 47.44 C ATOM 432 CD1 TYR A1901 22.927 6.047 -4.456 1.00 41.98 C ATOM 433 CD2 TYR A1901 23.379 5.469 -2.175 1.00 41.05 C ATOM 434 CE1 TYR A1901 22.364 7.250 -4.051 1.00 47.83 C ATOM 435 CE2 TYR A1901 22.816 6.677 -1.754 1.00 44.55 C ATOM 436 CZ TYR A1901 22.309 7.559 -2.700 1.00 48.82 C ATOM 437 OH TYR A1901 21.750 8.753 -2.298 1.00 46.49 O ATOM 438 HH TYR A1901 21.442 9.256 -3.093 1.00 0.00 H ATOM 439 H TYR A1901 24.727 1.329 -3.825 1.00 0.00 H ATOM 440 N LYS A1902 22.738 2.402 -6.392 1.00 55.71 N ATOM 441 CA LYS A1902 22.030 2.474 -7.673 1.00 58.63 C ATOM 442 C LYS A1902 20.696 1.707 -7.650 1.00 51.74 C ATOM 443 O LYS A1902 19.675 2.199 -8.133 1.00 51.01 O ATOM 444 CB LYS A1902 22.930 1.945 -8.795 1.00 69.94 C ATOM 445 CG LYS A1902 22.556 2.432 -10.192 1.00 79.56 C ATOM 446 CD LYS A1902 23.535 1.908 -11.248 1.00 91.06 C ATOM 447 CE LYS A1902 22.836 1.545 -12.557 1.00 93.68 C ATOM 448 NZ LYS A1902 23.756 0.833 -13.492 1.00 91.17 N ATOM 449 HZ1 LYS A1902 24.567 1.445 -13.711 1.00 0.00 H ATOM 450 HZ2 LYS A1902 24.093 -0.044 -13.045 1.00 0.00 H ATOM 451 HZ3 LYS A1902 23.247 0.603 -14.369 1.00 0.00 H ATOM 452 H LYS A1902 23.713 2.040 -6.372 1.00 0.00 H ATOM 453 N LYS A1903 20.708 0.515 -7.059 1.00 47.58 N ATOM 454 CA LYS A1903 19.519 -0.332 -6.996 1.00 56.11 C ATOM 455 C LYS A1903 18.484 0.164 -5.979 1.00 55.04 C ATOM 456 O LYS A1903 17.275 0.073 -6.201 1.00 56.87 O ATOM 457 CB LYS A1903 19.930 -1.775 -6.662 1.00 53.35 C ATOM 458 CG LYS A1903 18.794 -2.769 -6.667 1.00 56.72 C ATOM 459 CD LYS A1903 18.142 -2.829 -8.037 1.00 49.28 C ATOM 460 CE LYS A1903 17.103 -3.929 -8.115 1.00 51.18 C ATOM 461 NZ LYS A1903 17.710 -5.286 -8.127 1.00 60.77 N ATOM 462 HZ1 LYS A1903 18.336 -5.377 -8.952 1.00 0.00 H ATOM 463 HZ2 LYS A1903 18.260 -5.426 -7.256 1.00 0.00 H ATOM 464 HZ3 LYS A1903 16.957 -6.001 -8.181 1.00 0.00 H ATOM 465 H LYS A1903 21.592 0.175 -6.628 1.00 0.00 H ATOM 466 N VAL A1904 18.963 0.679 -4.854 1.00 51.34 N ATOM 467 CA VAL A1904 18.081 1.075 -3.759 1.00 56.58 C ATOM 468 C VAL A1904 17.502 2.494 -3.943 1.00 56.44 C ATOM 469 O VAL A1904 16.320 2.732 -3.677 1.00 50.18 O ATOM 470 CB VAL A1904 18.827 0.976 -2.403 1.00 52.60 C ATOM 471 CG1 VAL A1904 18.013 1.603 -1.292 1.00 41.55 C ATOM 472 CG2 VAL A1904 19.161 -0.504 -2.070 1.00 47.01 C ATOM 473 H VAL A1904 19.990 0.804 -4.749 1.00 0.00 H ATOM 474 N ILE A1905 18.322 3.427 -4.414 1.00 50.40 N ATOM 475 CA ILE A1905 17.891 4.825 -4.534 1.00 44.01 C ATOM 476 C ILE A1905 17.465 5.121 -5.973 1.00 47.12 C ATOM 477 O ILE A1905 18.309 5.282 -6.848 1.00 46.50 O ATOM 478 CB ILE A1905 19.012 5.802 -4.102 1.00 40.21 C ATOM 479 CG1 ILE A1905 19.484 5.471 -2.682 1.00 40.25 C ATOM 480 CG2 ILE A1905 18.559 7.285 -4.249 1.00 35.17 C ATOM 481 CD1 ILE A1905 18.372 5.489 -1.654 1.00 41.60 C ATOM 482 H ILE A1905 19.286 3.162 -4.703 1.00 0.00 H ATOM 483 N LYS A1906 16.156 5.187 -6.205 1.00 45.51 N ATOM 484 CA LYS A1906 15.619 5.334 -7.559 1.00 55.13 C ATOM 485 C LYS A1906 15.874 6.716 -8.156 1.00 53.97 C ATOM 486 O LYS A1906 16.067 6.828 -9.360 1.00 48.84 O ATOM 487 CB LYS A1906 14.116 5.038 -7.582 1.00 66.08 C ATOM 488 CG LYS A1906 13.738 3.686 -6.984 1.00 77.36 C ATOM 489 CD LYS A1906 14.556 2.537 -7.563 1.00 76.46 C ATOM 490 CE LYS A1906 14.237 1.243 -6.834 1.00 85.08 C ATOM 491 NZ LYS A1906 14.982 0.077 -7.381 1.00 93.23 N ATOM 492 HZ1 LYS A1906 14.735 -0.052 -8.383 1.00 0.00 H ATOM 493 HZ2 LYS A1906 16.004 0.249 -7.294 1.00 0.00 H ATOM 494 HZ3 LYS A1906 14.726 -0.778 -6.847 1.00 0.00 H ATOM 495 H LYS A1906 15.497 5.133 -5.403 1.00 0.00 H ATOM 496 N LYS A1907 15.864 7.767 -7.333 1.00 44.29 N ATOM 497 CA LYS A1907 16.189 9.096 -7.841 1.00 40.63 C ATOM 498 C LYS A1907 17.296 9.744 -7.021 1.00 43.15 C ATOM 499 O LYS A1907 17.022 10.486 -6.071 1.00 38.69 O ATOM 500 CB LYS A1907 14.978 10.034 -7.846 1.00 46.37 C ATOM 501 CG LYS A1907 13.629 9.454 -8.200 1.00 58.98 C ATOM 502 CD LYS A1907 12.606 10.594 -8.170 1.00 73.20 C ATOM 503 CE LYS A1907 11.167 10.108 -8.080 1.00 85.48 C ATOM 504 NZ LYS A1907 10.233 11.261 -7.914 1.00 91.07 N ATOM 505 HZ1 LYS A1907 10.471 11.776 -7.042 1.00 0.00 H ATOM 506 HZ2 LYS A1907 10.324 11.899 -8.730 1.00 0.00 H ATOM 507 HZ3 LYS A1907 9.256 10.909 -7.855 1.00 0.00 H ATOM 508 H LYS A1907 15.624 7.639 -6.329 1.00 0.00 H ATOM 509 N PRO A1908 18.552 9.475 -7.391 1.00 44.86 N ATOM 510 CA PRO A1908 19.667 10.164 -6.743 1.00 38.05 C ATOM 511 C PRO A1908 19.565 11.671 -6.948 1.00 39.81 C ATOM 512 O PRO A1908 19.097 12.115 -8.000 1.00 40.26 O ATOM 513 CB PRO A1908 20.901 9.584 -7.448 1.00 41.63 C ATOM 514 CG PRO A1908 20.430 8.293 -8.047 1.00 46.87 C ATOM 515 CD PRO A1908 19.006 8.545 -8.438 1.00 44.83 C ATOM 516 N MET A1909 19.958 12.446 -5.942 1.00 34.17 N ATOM 517 CA MET A1909 19.993 13.909 -6.064 1.00 34.25 C ATOM 518 C MET A1909 21.095 14.432 -5.155 1.00 40.79 C ATOM 519 O MET A1909 21.399 13.821 -4.121 1.00 38.66 O ATOM 520 CB MET A1909 18.634 14.529 -5.716 1.00 33.53 C ATOM 521 CG MET A1909 18.490 16.038 -5.990 1.00 29.84 C ATOM 522 SD MET A1909 18.983 16.487 -7.678 1.00 37.97 S ATOM 523 CE MET A1909 17.905 15.408 -8.634 1.00 39.79 C ATOM 524 H MET A1909 20.248 12.005 -5.046 1.00 0.00 H ATOM 525 N ASP A1910 21.705 15.546 -5.549 1.00 34.55 N ATOM 526 CA ASP A1910 22.773 16.163 -4.767 1.00 32.12 C ATOM 527 C ASP A1910 22.775 17.664 -5.035 1.00 35.18 C ATOM 528 O ASP A1910 22.128 18.116 -5.984 1.00 36.45 O ATOM 529 CB ASP A1910 24.126 15.550 -5.110 1.00 31.38 C ATOM 530 CG ASP A1910 24.542 15.861 -6.545 1.00 44.20 C ATOM 531 OD1 ASP A1910 23.978 15.232 -7.464 1.00 42.45 O ATOM 532 OD2 ASP A1910 25.408 16.740 -6.749 1.00 44.64 O ATOM 533 H ASP A1910 21.412 15.992 -6.442 1.00 0.00 H ATOM 534 N PHE A1911 23.491 18.433 -4.209 1.00 30.35 N ATOM 535 CA PHE A1911 23.482 19.895 -4.342 1.00 32.72 C ATOM 536 C PHE A1911 24.018 20.386 -5.688 1.00 34.49 C ATOM 537 O PHE A1911 23.476 21.334 -6.242 1.00 33.62 O ATOM 538 CB PHE A1911 24.288 20.567 -3.233 1.00 31.31 C ATOM 539 CG PHE A1911 23.720 20.365 -1.839 1.00 34.21 C ATOM 540 CD1 PHE A1911 22.452 19.834 -1.648 1.00 39.44 C ATOM 541 CD2 PHE A1911 24.472 20.707 -0.717 1.00 34.81 C ATOM 542 CE1 PHE A1911 21.945 19.643 -0.346 1.00 37.44 C ATOM 543 CE2 PHE A1911 23.975 20.515 0.572 1.00 34.23 C ATOM 544 CZ PHE A1911 22.713 19.982 0.752 1.00 30.29 C ATOM 545 H PHE A1911 24.062 17.990 -3.462 1.00 0.00 H ATOM 546 N SER A1912 25.087 19.778 -6.200 1.00 29.50 N ATOM 547 CA SER A1912 25.671 20.285 -7.442 1.00 37.98 C ATOM 548 C SER A1912 24.710 20.056 -8.620 1.00 41.56 C ATOM 549 O SER A1912 24.636 20.876 -9.527 1.00 39.81 O ATOM 550 CB SER A1912 27.033 19.652 -7.719 1.00 38.71 C ATOM 551 OG SER A1912 26.895 18.339 -8.214 1.00 47.08 O ATOM 552 HG SER A1912 26.419 17.784 -7.547 1.00 0.00 H ATOM 553 H SER A1912 25.502 18.952 -5.722 1.00 0.00 H ATOM 554 N THR A1913 23.949 18.964 -8.573 1.00 38.68 N ATOM 555 CA THR A1913 22.937 18.698 -9.595 1.00 40.18 C ATOM 556 C THR A1913 21.798 19.723 -9.494 1.00 41.23 C ATOM 557 O THR A1913 21.345 20.290 -10.506 1.00 35.89 O ATOM 558 CB THR A1913 22.376 17.260 -9.484 1.00 41.08 C ATOM 559 OG1 THR A1913 23.427 16.317 -9.740 1.00 35.60 O ATOM 560 CG2 THR A1913 21.242 17.037 -10.492 1.00 40.97 C ATOM 561 HG1 THR A1913 24.150 16.442 -9.076 1.00 0.00 H ATOM 562 H THR A1913 24.077 18.287 -7.794 1.00 0.00 H ATOM 563 N ILE A1914 21.356 19.975 -8.267 1.00 34.29 N ATOM 564 CA ILE A1914 20.370 21.019 -8.006 1.00 35.67 C ATOM 565 C ILE A1914 20.868 22.388 -8.497 1.00 37.66 C ATOM 566 O ILE A1914 20.100 23.156 -9.074 1.00 37.90 O ATOM 567 CB ILE A1914 20.015 21.086 -6.486 1.00 34.42 C ATOM 568 CG1 ILE A1914 19.357 19.766 -6.047 1.00 30.36 C ATOM 569 CG2 ILE A1914 19.100 22.280 -6.179 1.00 32.70 C ATOM 570 CD1 ILE A1914 19.068 19.689 -4.538 1.00 28.80 C ATOM 571 H ILE A1914 21.722 19.414 -7.472 1.00 0.00 H ATOM 572 N ARG A1915 22.150 22.679 -8.285 1.00 32.24 N ATOM 573 CA ARG A1915 22.736 23.943 -8.737 1.00 34.77 C ATOM 574 C ARG A1915 22.716 24.036 -10.269 1.00 44.14 C ATOM 575 O ARG A1915 22.388 25.075 -10.835 1.00 33.62 O ATOM 576 CB ARG A1915 24.167 24.096 -8.211 1.00 31.34 C ATOM 577 CG ARG A1915 24.923 25.293 -8.796 1.00 34.63 C ATOM 578 CD ARG A1915 24.331 26.615 -8.333 1.00 38.01 C ATOM 579 NE ARG A1915 24.525 26.825 -6.886 1.00 46.95 N ATOM 580 CZ ARG A1915 24.050 27.870 -6.207 1.00 44.09 C ATOM 581 NH1 ARG A1915 23.349 28.812 -6.828 1.00 38.38 N ATOM 582 NH2 ARG A1915 24.274 27.981 -4.904 1.00 46.10 N ATOM 583 HE ARG A1915 25.068 26.111 -6.360 1.00 0.00 H ATOM 584 HH12 ARG A1915 22.981 29.624 -6.293 1.00 0.00 H ATOM 585 HH11 ARG A1915 23.168 28.737 -7.849 1.00 0.00 H ATOM 586 HH22 ARG A1915 23.901 28.798 -4.380 1.00 0.00 H ATOM 587 HH21 ARG A1915 24.823 27.251 -4.407 1.00 0.00 H ATOM 588 H ARG A1915 22.750 21.992 -7.786 1.00 0.00 H ATOM 589 N GLU A1916 23.046 22.935 -10.925 1.00 38.93 N ATOM 590 CA GLU A1916 23.034 22.912 -12.383 1.00 48.19 C ATOM 591 C GLU A1916 21.609 23.114 -12.920 1.00 42.69 C ATOM 592 O GLU A1916 21.398 23.920 -13.830 1.00 40.83 O ATOM 593 CB GLU A1916 23.632 21.607 -12.913 1.00 55.13 C ATOM 594 CG GLU A1916 24.144 21.712 -14.347 1.00 84.74 C ATOM 595 CD GLU A1916 25.614 22.092 -14.418 1.00108.79 C ATOM 596 OE1 GLU A1916 26.459 21.293 -13.953 1.00114.81 O ATOM 597 OE2 GLU A1916 25.919 23.196 -14.924 1.00114.25 O ATOM 598 H GLU A1916 23.316 22.080 -10.397 1.00 0.00 H ATOM 599 N LYS A1917 20.637 22.410 -12.339 1.00 39.71 N ATOM 600 CA LYS A1917 19.242 22.553 -12.740 1.00 37.20 C ATOM 601 C LYS A1917 18.755 23.995 -12.506 1.00 42.72 C ATOM 602 O LYS A1917 18.103 24.589 -13.374 1.00 37.54 O ATOM 603 CB LYS A1917 18.359 21.547 -11.984 1.00 36.82 C ATOM 604 CG LYS A1917 18.554 20.090 -12.448 1.00 41.63 C ATOM 605 CD LYS A1917 17.742 19.078 -11.637 1.00 44.00 C ATOM 606 CE LYS A1917 16.240 19.266 -11.796 1.00 44.33 C ATOM 607 NZ LYS A1917 15.475 18.088 -11.262 1.00 44.31 N ATOM 608 HZ1 LYS A1917 15.756 17.231 -11.779 1.00 0.00 H ATOM 609 HZ2 LYS A1917 15.686 17.969 -10.251 1.00 0.00 H ATOM 610 HZ3 LYS A1917 14.456 18.252 -11.388 1.00 0.00 H ATOM 611 H LYS A1917 20.880 21.742 -11.580 1.00 0.00 H ATOM 612 N LEU A1918 19.087 24.550 -11.339 1.00 34.23 N ATOM 613 CA LEU A1918 18.696 25.910 -10.993 1.00 39.75 C ATOM 614 C LEU A1918 19.263 26.899 -12.020 1.00 44.58 C ATOM 615 O LEU A1918 18.562 27.798 -12.473 1.00 49.04 O ATOM 616 CB LEU A1918 19.166 26.272 -9.568 1.00 35.97 C ATOM 617 CG LEU A1918 18.580 27.551 -8.954 1.00 41.01 C ATOM 618 CD1 LEU A1918 17.064 27.486 -8.897 1.00 29.97 C ATOM 619 CD2 LEU A1918 19.164 27.838 -7.556 1.00 42.43 C ATOM 620 H LEU A1918 19.641 23.995 -10.656 1.00 0.00 H ATOM 621 N SER A1919 20.523 26.692 -12.399 1.00 39.36 N ATOM 622 CA SER A1919 21.250 27.590 -13.289 1.00 41.27 C ATOM 623 C SER A1919 20.866 27.470 -14.779 1.00 38.38 C ATOM 624 O SER A1919 21.297 28.277 -15.584 1.00 40.26 O ATOM 625 CB SER A1919 22.758 27.352 -13.147 1.00 45.87 C ATOM 626 OG SER A1919 23.241 27.797 -11.890 1.00 52.66 O ATOM 627 HG SER A1919 22.777 27.305 -11.167 1.00 0.00 H ATOM 628 H SER A1919 21.013 25.847 -12.042 1.00 0.00 H ATOM 629 N SER A1920 20.074 26.460 -15.128 1.00 39.22 N ATOM 630 CA SER A1920 19.711 26.187 -16.523 1.00 43.67 C ATOM 631 C SER A1920 18.187 26.139 -16.693 1.00 43.23 C ATOM 632 O SER A1920 17.681 25.532 -17.638 1.00 42.98 O ATOM 633 CB SER A1920 20.343 24.869 -17.003 1.00 38.56 C ATOM 634 OG SER A1920 19.956 23.790 -16.152 1.00 37.95 O ATOM 635 HG SER A1920 20.259 23.975 -15.228 1.00 0.00 H ATOM 636 H SER A1920 19.697 25.840 -14.383 1.00 0.00 H ATOM 637 N GLY A1921 17.465 26.761 -15.758 1.00 39.82 N ATOM 638 CA GLY A1921 16.022 26.925 -15.869 1.00 37.55 C ATOM 639 C GLY A1921 15.230 25.633 -15.841 1.00 37.74 C ATOM 640 O GLY A1921 14.196 25.495 -16.500 1.00 41.76 O ATOM 641 H GLY A1921 17.950 27.142 -14.921 1.00 0.00 H ATOM 642 N GLN A1922 15.712 24.669 -15.067 1.00 36.75 N ATOM 643 CA GLN A1922 15.060 23.375 -15.031 1.00 40.68 C ATOM 644 C GLN A1922 14.061 23.254 -13.867 1.00 45.76 C ATOM 645 O GLN A1922 13.337 22.266 -13.774 1.00 45.15 O ATOM 646 CB GLN A1922 16.113 22.272 -14.967 1.00 45.06 C ATOM 647 CG GLN A1922 16.993 22.217 -16.213 1.00 51.14 C ATOM 648 CD GLN A1922 17.740 20.910 -16.337 1.00 49.20 C ATOM 649 OE1 GLN A1922 17.138 19.840 -16.360 1.00 54.11 O ATOM 650 NE2 GLN A1922 19.056 20.988 -16.408 1.00 44.56 N ATOM 651 HE22 GLN A1922 19.524 21.917 -16.385 1.00 0.00 H ATOM 652 HE21 GLN A1922 19.625 20.121 -16.487 1.00 0.00 H ATOM 653 H GLN A1922 16.557 24.842 -14.486 1.00 0.00 H ATOM 654 N TYR A1923 14.008 24.263 -12.998 1.00 37.69 N ATOM 655 CA TYR A1923 12.925 24.332 -12.013 1.00 37.99 C ATOM 656 C TYR A1923 11.844 25.311 -12.466 1.00 38.12 C ATOM 657 O TYR A1923 12.104 26.495 -12.678 1.00 43.58 O ATOM 658 CB TYR A1923 13.459 24.714 -10.621 1.00 39.47 C ATOM 659 CG TYR A1923 14.371 23.648 -10.047 1.00 36.43 C ATOM 660 CD1 TYR A1923 13.895 22.373 -9.779 1.00 32.91 C ATOM 661 CD2 TYR A1923 15.705 23.915 -9.794 1.00 32.49 C ATOM 662 CE1 TYR A1923 14.731 21.389 -9.266 1.00 33.27 C ATOM 663 CE2 TYR A1923 16.543 22.954 -9.293 1.00 29.80 C ATOM 664 CZ TYR A1923 16.054 21.693 -9.028 1.00 33.53 C ATOM 665 OH TYR A1923 16.914 20.744 -8.542 1.00 34.82 O ATOM 666 HH TYR A1923 16.423 19.896 -8.402 1.00 0.00 H ATOM 667 H TYR A1923 14.738 25.004 -13.019 1.00 0.00 H ATOM 668 N PRO A1924 10.622 24.803 -12.636 1.00 40.95 N ATOM 669 CA PRO A1924 9.478 25.632 -13.023 1.00 48.40 C ATOM 670 C PRO A1924 9.093 26.621 -11.938 1.00 50.06 C ATOM 671 O PRO A1924 8.611 27.713 -12.240 1.00 51.04 O ATOM 672 CB PRO A1924 8.359 24.608 -13.234 1.00 57.73 C ATOM 673 CG PRO A1924 9.055 23.326 -13.472 1.00 53.81 C ATOM 674 CD PRO A1924 10.282 23.374 -12.619 1.00 37.96 C ATOM 675 N ASN A1925 9.300 26.231 -10.684 1.00 47.44 N ATOM 676 CA ASN A1925 8.848 27.032 -9.566 1.00 47.93 C ATOM 677 C ASN A1925 9.564 26.640 -8.275 1.00 51.81 C ATOM 678 O ASN A1925 10.335 25.679 -8.263 1.00 42.17 O ATOM 679 CB ASN A1925 7.344 26.872 -9.392 1.00 46.80 C ATOM 680 CG ASN A1925 6.925 25.418 -9.314 1.00 50.36 C ATOM 681 OD1 ASN A1925 7.531 24.623 -8.594 1.00 50.96 O ATOM 682 ND2 ASN A1925 5.886 25.060 -10.054 1.00 54.68 N ATOM 683 HD22 ASN A1925 5.403 25.764 -10.648 1.00 0.00 H ATOM 684 HD21 ASN A1925 5.553 24.075 -10.041 1.00 0.00 H ATOM 685 H ASN A1925 9.795 25.335 -10.503 1.00 0.00 H ATOM 686 N LEU A1926 9.284 27.376 -7.198 1.00 48.54 N ATOM 687 CA LEU A1926 9.863 27.148 -5.877 1.00 40.92 C ATOM 688 C LEU A1926 9.718 25.704 -5.418 1.00 39.55 C ATOM 689 O LEU A1926 10.644 25.096 -4.899 1.00 45.21 O ATOM 690 CB LEU A1926 9.173 28.048 -4.848 1.00 47.73 C ATOM 691 CG LEU A1926 9.636 29.486 -4.717 1.00 61.57 C ATOM 692 CD1 LEU A1926 9.003 30.180 -3.540 1.00 63.43 C ATOM 693 CD2 LEU A1926 11.118 29.525 -4.569 1.00 55.38 C ATOM 694 H LEU A1926 8.611 28.162 -7.306 1.00 0.00 H ATOM 695 N GLU A1927 8.501 25.201 -5.548 1.00 39.05 N ATOM 696 CA GLU A1927 8.126 23.904 -5.020 1.00 45.59 C ATOM 697 C GLU A1927 8.938 22.757 -5.625 1.00 48.99 C ATOM 698 O GLU A1927 9.328 21.831 -4.921 1.00 44.60 O ATOM 699 CB GLU A1927 6.628 23.696 -5.244 1.00 57.37 C ATOM 700 CG GLU A1927 5.788 24.644 -4.392 1.00 81.27 C ATOM 701 CD GLU A1927 5.105 25.740 -5.200 1.00 96.75 C ATOM 702 OE1 GLU A1927 5.728 26.260 -6.154 1.00 88.52 O ATOM 703 OE2 GLU A1927 3.949 26.088 -4.868 1.00108.12 O ATOM 704 H GLU A1927 7.783 25.760 -6.051 1.00 0.00 H ATOM 705 N THR A1928 9.220 22.818 -6.921 1.00 42.24 N ATOM 706 CA THR A1928 9.958 21.729 -7.540 1.00 42.10 C ATOM 707 C THR A1928 11.403 21.785 -7.076 1.00 33.70 C ATOM 708 O THR A1928 12.052 20.754 -6.932 1.00 34.51 O ATOM 709 CB THR A1928 9.880 21.771 -9.093 1.00 46.02 C ATOM 710 OG1 THR A1928 10.490 22.975 -9.583 1.00 47.67 O ATOM 711 CG2 THR A1928 8.442 21.733 -9.526 1.00 37.29 C ATOM 712 HG1 THR A1928 10.014 23.760 -9.211 1.00 0.00 H ATOM 713 H THR A1928 8.916 23.636 -7.487 1.00 0.00 H ATOM 714 N PHE A1929 11.905 22.993 -6.844 1.00 31.10 N ATOM 715 CA PHE A1929 13.232 23.153 -6.248 1.00 35.48 C ATOM 716 C PHE A1929 13.278 22.510 -4.846 1.00 38.90 C ATOM 717 O PHE A1929 14.206 21.763 -4.516 1.00 38.41 O ATOM 718 CB PHE A1929 13.610 24.636 -6.172 1.00 33.31 C ATOM 719 CG PHE A1929 14.824 24.922 -5.318 1.00 37.63 C ATOM 720 CD1 PHE A1929 16.103 24.823 -5.855 1.00 31.79 C ATOM 721 CD2 PHE A1929 14.683 25.316 -3.983 1.00 30.62 C ATOM 722 CE1 PHE A1929 17.219 25.091 -5.082 1.00 29.69 C ATOM 723 CE2 PHE A1929 15.795 25.591 -3.197 1.00 34.25 C ATOM 724 CZ PHE A1929 17.067 25.479 -3.740 1.00 30.24 C ATOM 725 H PHE A1929 11.348 23.836 -7.089 1.00 0.00 H ATOM 726 N ALA A1930 12.268 22.798 -4.033 1.00 37.72 N ATOM 727 CA ALA A1930 12.206 22.273 -2.667 1.00 35.42 C ATOM 728 C ALA A1930 12.072 20.740 -2.663 1.00 40.59 C ATOM 729 O ALA A1930 12.584 20.058 -1.755 1.00 37.62 O ATOM 730 CB ALA A1930 11.055 22.906 -1.913 1.00 32.80 C ATOM 731 H ALA A1930 11.501 23.412 -4.375 1.00 0.00 H ATOM 732 N LEU A1931 11.383 20.209 -3.674 1.00 37.03 N ATOM 733 CA LEU A1931 11.221 18.759 -3.818 1.00 38.05 C ATOM 734 C LEU A1931 12.573 18.083 -4.028 1.00 41.46 C ATOM 735 O LEU A1931 12.857 17.058 -3.425 1.00 42.46 O ATOM 736 CB LEU A1931 10.284 18.416 -4.977 1.00 40.26 C ATOM 737 CG LEU A1931 8.781 18.535 -4.729 1.00 50.58 C ATOM 738 CD1 LEU A1931 8.026 18.178 -5.993 1.00 52.50 C ATOM 739 CD2 LEU A1931 8.354 17.624 -3.586 1.00 66.03 C ATOM 740 H LEU A1931 10.950 20.840 -4.378 1.00 0.00 H ATOM 741 N ASP A1932 13.417 18.673 -4.868 1.00 36.52 N ATOM 742 CA ASP A1932 14.748 18.121 -5.098 1.00 35.99 C ATOM 743 C ASP A1932 15.639 18.188 -3.856 1.00 40.98 C ATOM 744 O ASP A1932 16.369 17.238 -3.559 1.00 37.64 O ATOM 745 CB ASP A1932 15.423 18.837 -6.258 1.00 29.81 C ATOM 746 CG ASP A1932 15.162 18.148 -7.582 1.00 38.31 C ATOM 747 OD1 ASP A1932 14.352 17.192 -7.588 1.00 37.76 O ATOM 748 OD2 ASP A1932 15.784 18.546 -8.586 1.00 34.04 O ATOM 749 H ASP A1932 13.126 19.538 -5.367 1.00 0.00 H ATOM 750 N VAL A1933 15.591 19.314 -3.150 1.00 35.58 N ATOM 751 CA VAL A1933 16.371 19.461 -1.927 1.00 34.81 C ATOM 752 C VAL A1933 15.928 18.395 -0.912 1.00 35.35 C ATOM 753 O VAL A1933 16.759 17.718 -0.308 1.00 33.00 O ATOM 754 CB VAL A1933 16.234 20.887 -1.309 1.00 34.14 C ATOM 755 CG1 VAL A1933 16.919 20.947 0.059 1.00 31.36 C ATOM 756 CG2 VAL A1933 16.817 21.946 -2.265 1.00 29.71 C ATOM 757 H VAL A1933 14.990 20.099 -3.474 1.00 0.00 H ATOM 758 N ARG A1934 14.618 18.229 -0.756 1.00 37.95 N ATOM 759 CA ARG A1934 14.097 17.253 0.193 1.00 38.13 C ATOM 760 C ARG A1934 14.433 15.832 -0.240 1.00 46.38 C ATOM 761 O ARG A1934 14.681 14.980 0.602 1.00 37.97 O ATOM 762 CB ARG A1934 12.586 17.426 0.377 1.00 46.47 C ATOM 763 CG ARG A1934 12.259 18.583 1.324 1.00 52.25 C ATOM 764 CD ARG A1934 10.864 19.160 1.135 1.00 58.95 C ATOM 765 NE ARG A1934 10.766 20.478 1.765 1.00 62.95 N ATOM 766 CZ ARG A1934 9.744 21.315 1.619 1.00 60.11 C ATOM 767 NH1 ARG A1934 8.715 20.984 0.852 1.00 62.91 N ATOM 768 NH2 ARG A1934 9.760 22.494 2.230 1.00 59.03 N ATOM 769 HE ARG A1934 11.554 20.782 2.372 1.00 0.00 H ATOM 770 HH12 ARG A1934 7.917 21.642 0.740 1.00 0.00 H ATOM 771 HH11 ARG A1934 8.706 20.067 0.362 1.00 0.00 H ATOM 772 HH22 ARG A1934 8.961 23.150 2.116 1.00 0.00 H ATOM 773 HH21 ARG A1934 10.572 22.762 2.822 1.00 0.00 H ATOM 774 H ARG A1934 13.957 18.803 -1.318 1.00 0.00 H ATOM 775 N LEU A1935 14.470 15.591 -1.552 1.00 38.39 N ATOM 776 CA LEU A1935 14.852 14.288 -2.091 1.00 36.97 C ATOM 777 C LEU A1935 16.259 13.885 -1.628 1.00 35.98 C ATOM 778 O LEU A1935 16.527 12.711 -1.361 1.00 36.13 O ATOM 779 CB LEU A1935 14.787 14.306 -3.625 1.00 37.04 C ATOM 780 CG LEU A1935 15.184 13.048 -4.405 1.00 40.95 C ATOM 781 CD1 LEU A1935 14.371 11.818 -3.967 1.00 40.60 C ATOM 782 CD2 LEU A1935 15.059 13.279 -5.923 1.00 36.98 C ATOM 783 H LEU A1935 14.219 16.355 -2.212 1.00 0.00 H ATOM 784 N VAL A1936 17.154 14.870 -1.565 1.00 32.40 N ATOM 785 CA VAL A1936 18.515 14.647 -1.112 1.00 39.10 C ATOM 786 C VAL A1936 18.498 14.037 0.297 1.00 35.14 C ATOM 787 O VAL A1936 19.161 13.033 0.568 1.00 29.65 O ATOM 788 CB VAL A1936 19.332 15.959 -1.095 1.00 36.04 C ATOM 789 CG1 VAL A1936 20.651 15.745 -0.361 1.00 30.53 C ATOM 790 CG2 VAL A1936 19.570 16.509 -2.547 1.00 30.69 C ATOM 791 H VAL A1936 16.869 15.829 -1.849 1.00 0.00 H ATOM 792 N PHE A1937 17.699 14.634 1.174 1.00 28.44 N ATOM 793 CA PHE A1937 17.662 14.202 2.588 1.00 32.23 C ATOM 794 C PHE A1937 16.817 12.944 2.750 1.00 35.93 C ATOM 795 O PHE A1937 17.086 12.099 3.616 1.00 35.93 O ATOM 796 CB PHE A1937 17.172 15.361 3.444 1.00 28.57 C ATOM 797 CG PHE A1937 17.996 16.598 3.251 1.00 31.94 C ATOM 798 CD1 PHE A1937 19.383 16.495 3.166 1.00 31.08 C ATOM 799 CD2 PHE A1937 17.404 17.842 3.067 1.00 31.50 C ATOM 800 CE1 PHE A1937 20.171 17.611 2.925 1.00 32.36 C ATOM 801 CE2 PHE A1937 18.189 18.981 2.842 1.00 29.11 C ATOM 802 CZ PHE A1937 19.577 18.867 2.770 1.00 28.11 C ATOM 803 H PHE A1937 17.090 15.417 0.862 1.00 0.00 H ATOM 804 N ASP A1938 15.832 12.783 1.868 1.00 37.36 N ATOM 805 CA ASP A1938 15.030 11.565 1.852 1.00 38.32 C ATOM 806 C ASP A1938 15.863 10.360 1.437 1.00 42.33 C ATOM 807 O ASP A1938 15.758 9.293 2.046 1.00 44.20 O ATOM 808 CB ASP A1938 13.816 11.722 0.938 1.00 34.90 C ATOM 809 CG ASP A1938 12.716 12.569 1.571 1.00 48.39 C ATOM 810 OD1 ASP A1938 12.805 12.853 2.785 1.00 46.64 O ATOM 811 OD2 ASP A1938 11.754 12.940 0.865 1.00 54.13 O ATOM 812 H ASP A1938 15.632 13.537 1.180 1.00 0.00 H ATOM 813 N ASN A1939 16.689 10.525 0.406 1.00 37.82 N ATOM 814 CA ASN A1939 17.597 9.454 -0.002 1.00 41.80 C ATOM 815 C ASN A1939 18.593 9.129 1.105 1.00 42.29 C ATOM 816 O ASN A1939 18.930 7.970 1.330 1.00 43.24 O ATOM 817 CB ASN A1939 18.360 9.828 -1.271 1.00 35.45 C ATOM 818 CG ASN A1939 17.454 9.941 -2.490 1.00 40.84 C ATOM 819 OD1 ASN A1939 16.331 9.432 -2.501 1.00 43.23 O ATOM 820 ND2 ASN A1939 17.948 10.606 -3.524 1.00 35.74 N ATOM 821 HD22 ASN A1939 18.901 11.019 -3.470 1.00 0.00 H ATOM 822 HD21 ASN A1939 17.383 10.715 -4.390 1.00 0.00 H ATOM 823 H ASN A1939 16.688 11.425 -0.115 1.00 0.00 H ATOM 824 N CYS A1940 19.075 10.170 1.776 1.00 38.73 N ATOM 825 CA CYS A1940 20.053 10.001 2.842 1.00 46.02 C ATOM 826 C CYS A1940 19.480 9.140 3.966 1.00 45.76 C ATOM 827 O CYS A1940 20.155 8.245 4.473 1.00 47.02 O ATOM 828 CB CYS A1940 20.502 11.356 3.386 1.00 40.49 C ATOM 829 SG CYS A1940 21.805 11.258 4.642 1.00 37.55 S ATOM 830 H CYS A1940 18.746 11.127 1.535 1.00 0.00 H ATOM 831 N GLU A1941 18.227 9.403 4.331 1.00 42.44 N ATOM 832 CA GLU A1941 17.564 8.666 5.406 1.00 40.21 C ATOM 833 C GLU A1941 17.300 7.234 4.997 1.00 48.96 C ATOM 834 O GLU A1941 17.333 6.330 5.823 1.00 56.51 O ATOM 835 CB GLU A1941 16.241 9.314 5.790 1.00 49.56 C ATOM 836 CG GLU A1941 16.343 10.467 6.746 1.00 58.89 C ATOM 837 CD GLU A1941 15.016 10.735 7.421 1.00 64.09 C ATOM 838 OE1 GLU A1941 14.459 11.837 7.248 1.00 66.61 O ATOM 839 OE2 GLU A1941 14.530 9.832 8.128 1.00 68.76 O ATOM 840 H GLU A1941 17.704 10.154 3.837 1.00 0.00 H ATOM 841 N THR A1942 17.018 7.041 3.710 1.00 41.10 N ATOM 842 CA THR A1942 16.736 5.720 3.179 1.00 42.21 C ATOM 843 C THR A1942 17.969 4.822 3.266 1.00 45.60 C ATOM 844 O THR A1942 17.859 3.630 3.517 1.00 48.43 O ATOM 845 CB THR A1942 16.260 5.794 1.703 1.00 48.85 C ATOM 846 OG1 THR A1942 15.028 6.524 1.638 1.00 53.97 O ATOM 847 CG2 THR A1942 16.049 4.380 1.121 1.00 50.05 C ATOM 848 HG1 THR A1942 15.169 7.439 1.987 1.00 0.00 H ATOM 849 H THR A1942 16.999 7.859 3.068 1.00 0.00 H ATOM 850 N PHE A1943 19.142 5.412 3.073 1.00 50.27 N ATOM 851 CA PHE A1943 20.354 4.632 2.882 1.00 47.98 C ATOM 852 C PHE A1943 21.251 4.589 4.112 1.00 47.43 C ATOM 853 O PHE A1943 22.001 3.632 4.310 1.00 48.27 O ATOM 854 CB PHE A1943 21.156 5.182 1.690 1.00 38.17 C ATOM 855 CG PHE A1943 22.113 4.177 1.104 1.00 40.04 C ATOM 856 CD1 PHE A1943 21.647 3.145 0.298 1.00 42.39 C ATOM 857 CD2 PHE A1943 23.470 4.256 1.365 1.00 44.93 C ATOM 858 CE1 PHE A1943 22.518 2.201 -0.251 1.00 48.23 C ATOM 859 CE2 PHE A1943 24.347 3.331 0.820 1.00 46.51 C ATOM 860 CZ PHE A1943 23.869 2.293 0.013 1.00 50.74 C ATOM 861 H PHE A1943 19.195 6.451 3.058 1.00 0.00 H ATOM 862 N ASN A1944 21.179 5.628 4.933 1.00 41.78 N ATOM 863 CA ASN A1944 22.108 5.773 6.040 1.00 42.88 C ATOM 864 C ASN A1944 21.409 5.641 7.390 1.00 46.74 C ATOM 865 O ASN A1944 20.276 6.099 7.558 1.00 49.17 O ATOM 866 CB ASN A1944 22.829 7.121 5.948 1.00 40.01 C ATOM 867 CG ASN A1944 23.614 7.286 4.647 1.00 46.15 C ATOM 868 OD1 ASN A1944 24.752 6.829 4.544 1.00 45.29 O ATOM 869 ND2 ASN A1944 23.019 7.973 3.658 1.00 38.91 N ATOM 870 HD22 ASN A1944 22.055 8.342 3.788 1.00 0.00 H ATOM 871 HD21 ASN A1944 23.522 8.136 2.762 1.00 0.00 H ATOM 872 H ASN A1944 20.446 6.350 4.782 1.00 0.00 H ATOM 873 N GLU A1945 22.084 5.000 8.343 1.00 44.86 N ATOM 874 CA GLU A1945 21.602 4.928 9.721 1.00 45.40 C ATOM 875 C GLU A1945 21.507 6.335 10.313 1.00 48.31 C ATOM 876 O GLU A1945 22.334 7.195 10.008 1.00 42.81 O ATOM 877 CB GLU A1945 22.534 4.058 10.570 1.00 49.72 C ATOM 878 CG GLU A1945 22.510 2.563 10.256 1.00 65.54 C ATOM 879 CD GLU A1945 21.266 1.871 10.786 1.00 79.83 C ATOM 880 OE1 GLU A1945 20.458 2.528 11.477 1.00 92.51 O ATOM 881 OE2 GLU A1945 21.098 0.663 10.521 1.00 87.47 O ATOM 882 H GLU A1945 22.982 4.536 8.099 1.00 0.00 H ATOM 883 N ASP A1946 20.500 6.573 11.150 1.00 54.40 N ATOM 884 CA ASP A1946 20.354 7.873 11.816 1.00 57.21 C ATOM 885 C ASP A1946 21.575 8.222 12.674 1.00 62.91 C ATOM 886 O ASP A1946 22.028 9.367 12.688 1.00 69.83 O ATOM 887 CB ASP A1946 19.093 7.898 12.683 1.00 61.55 C ATOM 888 CG ASP A1946 17.815 7.850 11.866 1.00 55.17 C ATOM 889 OD1 ASP A1946 17.860 8.188 10.665 1.00 52.25 O ATOM 890 OD2 ASP A1946 16.761 7.483 12.428 1.00 61.27 O ATOM 891 H ASP A1946 19.803 5.824 11.336 1.00 0.00 H ATOM 892 N ASP A1947 22.098 7.222 13.378 1.00 71.59 N ATOM 893 CA ASP A1947 23.267 7.380 14.233 1.00 83.00 C ATOM 894 C ASP A1947 24.527 7.021 13.425 1.00 79.03 C ATOM 895 O ASP A1947 25.306 6.136 13.780 1.00 88.54 O ATOM 896 CB ASP A1947 23.106 6.522 15.505 1.00107.08 C ATOM 897 CG ASP A1947 24.402 6.356 16.280 1.00131.41 C ATOM 898 OD1 ASP A1947 24.896 7.359 16.836 1.00141.44 O ATOM 899 OD2 ASP A1947 24.932 5.221 16.329 1.00140.06 O ATOM 900 H ASP A1947 21.652 6.285 13.315 1.00 0.00 H ATOM 901 N SER A1948 24.672 7.679 12.280 1.00 65.75 N ATOM 902 CA SER A1948 25.891 7.615 11.476 1.00 48.98 C ATOM 903 C SER A1948 26.252 9.054 11.168 1.00 50.97 C ATOM 904 O SER A1948 25.398 9.934 11.283 1.00 49.87 O ATOM 905 CB SER A1948 25.708 6.810 10.181 1.00 53.21 C ATOM 906 OG SER A1948 24.882 7.485 9.245 1.00 44.21 O ATOM 907 HG SER A1948 23.989 7.636 9.644 1.00 0.00 H ATOM 908 H SER A1948 23.883 8.266 11.941 1.00 0.00 H ATOM 909 N ASP A1949 27.500 9.306 10.791 1.00 50.48 N ATOM 910 CA ASP A1949 27.903 10.673 10.480 1.00 55.04 C ATOM 911 C ASP A1949 27.111 11.241 9.309 1.00 50.97 C ATOM 912 O ASP A1949 26.672 12.391 9.372 1.00 45.12 O ATOM 913 CB ASP A1949 29.396 10.750 10.184 1.00 49.83 C ATOM 914 CG ASP A1949 30.230 10.444 11.393 1.00 50.87 C ATOM 915 OD1 ASP A1949 30.163 11.224 12.370 1.00 53.31 O ATOM 916 OD2 ASP A1949 30.951 9.429 11.366 1.00 58.66 O ATOM 917 H ASP A1949 28.189 8.530 10.718 1.00 0.00 H ATOM 918 N ILE A1950 26.928 10.443 8.253 1.00 46.69 N ATOM 919 CA ILE A1950 26.181 10.911 7.084 1.00 50.96 C ATOM 920 C ILE A1950 24.697 11.061 7.420 1.00 46.03 C ATOM 921 O ILE A1950 24.073 12.065 7.074 1.00 40.81 O ATOM 922 CB ILE A1950 26.350 9.964 5.875 1.00 46.50 C ATOM 923 CG1 ILE A1950 27.810 9.940 5.433 1.00 46.00 C ATOM 924 CG2 ILE A1950 25.453 10.399 4.724 1.00 44.34 C ATOM 925 CD1 ILE A1950 28.073 9.021 4.270 1.00 51.11 C ATOM 926 H ILE A1950 27.320 9.480 8.262 1.00 0.00 H ATOM 927 N GLY A1951 24.143 10.062 8.102 1.00 39.61 N ATOM 928 CA GLY A1951 22.772 10.130 8.577 1.00 50.03 C ATOM 929 C GLY A1951 22.462 11.358 9.436 1.00 43.78 C ATOM 930 O GLY A1951 21.420 11.998 9.271 1.00 43.97 O ATOM 931 H GLY A1951 24.706 9.210 8.300 1.00 0.00 H ATOM 932 N ARG A1952 23.359 11.709 10.346 1.00 40.65 N ATOM 933 CA ARG A1952 23.100 12.876 11.196 1.00 43.92 C ATOM 934 C ARG A1952 23.289 14.170 10.386 1.00 40.45 C ATOM 935 O ARG A1952 22.545 15.134 10.574 1.00 37.90 O ATOM 936 CB ARG A1952 23.991 12.876 12.437 1.00 51.22 C ATOM 937 CG ARG A1952 23.501 13.809 13.567 1.00 67.03 C ATOM 938 CD ARG A1952 21.967 13.920 13.669 1.00 66.01 C ATOM 939 NE ARG A1952 21.369 12.716 14.253 1.00 79.85 N ATOM 940 CZ ARG A1952 20.071 12.559 14.504 1.00 88.26 C ATOM 941 NH1 ARG A1952 19.626 11.421 15.028 1.00 90.92 N ATOM 942 NH2 ARG A1952 19.218 13.541 14.242 1.00 87.57 N ATOM 943 HE ARG A1952 22.005 11.927 14.488 1.00 0.00 H ATOM 944 HH12 ARG A1952 18.612 11.300 15.223 1.00 0.00 H ATOM 945 HH11 ARG A1952 20.292 10.652 15.242 1.00 0.00 H ATOM 946 HH22 ARG A1952 18.205 13.416 14.439 1.00 0.00 H ATOM 947 HH21 ARG A1952 19.563 14.436 13.840 1.00 0.00 H ATOM 948 H ARG A1952 24.237 11.163 10.456 1.00 0.00 H ATOM 949 N ALA A1953 24.274 14.169 9.485 1.00 37.21 N ATOM 950 CA ALA A1953 24.481 15.293 8.559 1.00 42.34 C ATOM 951 C ALA A1953 23.182 15.606 7.833 1.00 37.77 C ATOM 952 O ALA A1953 22.760 16.767 7.757 1.00 39.19 O ATOM 953 CB ALA A1953 25.593 14.982 7.561 1.00 39.72 C ATOM 954 H ALA A1953 24.913 13.350 9.436 1.00 0.00 H ATOM 955 N GLY A1954 22.542 14.554 7.327 1.00 34.30 N ATOM 956 CA GLY A1954 21.288 14.689 6.604 1.00 35.20 C ATOM 957 C GLY A1954 20.197 15.338 7.436 1.00 36.08 C ATOM 958 O GLY A1954 19.538 16.267 6.981 1.00 37.24 O ATOM 959 H GLY A1954 22.952 13.606 7.453 1.00 0.00 H ATOM 960 N HIS A1955 19.995 14.834 8.653 1.00 37.06 N ATOM 961 CA HIS A1955 19.009 15.412 9.559 1.00 36.32 C ATOM 962 C HIS A1955 19.324 16.877 9.873 1.00 41.00 C ATOM 963 O HIS A1955 18.426 17.710 9.875 1.00 36.45 O ATOM 964 CB HIS A1955 18.922 14.586 10.850 1.00 43.47 C ATOM 965 CG HIS A1955 18.274 13.250 10.659 1.00 48.02 C ATOM 966 ND1 HIS A1955 16.974 13.109 10.227 1.00 53.37 N ATOM 967 CD2 HIS A1955 18.753 11.991 10.825 1.00 54.37 C ATOM 968 CE1 HIS A1955 16.675 11.823 10.135 1.00 55.38 C ATOM 969 NE2 HIS A1955 17.738 11.126 10.499 1.00 49.71 N ATOM 970 H HIS A1955 20.552 14.012 8.963 1.00 0.00 H ATOM 971 N ASN A1956 20.595 17.182 10.135 1.00 36.57 N ATOM 972 CA ASN A1956 21.033 18.560 10.354 1.00 39.87 C ATOM 973 C ASN A1956 20.760 19.460 9.130 1.00 38.85 C ATOM 974 O ASN A1956 20.205 20.555 9.263 1.00 37.62 O ATOM 975 CB ASN A1956 22.524 18.589 10.699 1.00 41.08 C ATOM 976 CG ASN A1956 22.819 18.097 12.121 1.00 49.53 C ATOM 977 OD1 ASN A1956 21.920 17.673 12.850 1.00 41.42 O ATOM 978 ND2 ASN A1956 24.090 18.138 12.504 1.00 45.22 N ATOM 979 HD22 ASN A1956 24.817 18.504 11.856 1.00 0.00 H ATOM 980 HD21 ASN A1956 24.359 17.804 13.452 1.00 0.00 H ATOM 981 H ASN A1956 21.297 16.416 10.185 1.00 0.00 H ATOM 982 N MET A1957 21.144 18.983 7.944 1.00 33.96 N ATOM 983 CA MET A1957 20.986 19.779 6.716 1.00 37.87 C ATOM 984 C MET A1957 19.512 19.990 6.391 1.00 32.55 C ATOM 985 O MET A1957 19.110 21.078 6.005 1.00 41.26 O ATOM 986 CB MET A1957 21.701 19.118 5.530 1.00 31.20 C ATOM 987 CG MET A1957 23.232 19.194 5.583 1.00 44.52 C ATOM 988 SD MET A1957 23.869 20.853 5.918 1.00 54.65 S ATOM 989 CE MET A1957 23.335 21.687 4.419 1.00 49.01 C ATOM 990 H MET A1957 21.562 18.032 7.887 1.00 0.00 H ATOM 991 N ARG A1958 18.700 18.957 6.576 1.00 36.64 N ATOM 992 CA ARG A1958 17.273 19.103 6.355 1.00 35.27 C ATOM 993 C ARG A1958 16.700 20.191 7.258 1.00 40.98 C ATOM 994 O ARG A1958 15.978 21.071 6.788 1.00 36.72 O ATOM 995 CB ARG A1958 16.531 17.790 6.599 1.00 37.60 C ATOM 996 CG ARG A1958 15.054 17.907 6.244 1.00 39.57 C ATOM 997 CD ARG A1958 14.205 16.824 6.886 1.00 41.85 C ATOM 998 NE ARG A1958 14.540 15.483 6.413 1.00 43.92 N ATOM 999 CZ ARG A1958 14.097 14.956 5.273 1.00 48.84 C ATOM 1000 NH1 ARG A1958 13.303 15.666 4.471 1.00 41.45 N ATOM 1001 NH2 ARG A1958 14.444 13.716 4.936 1.00 39.30 N ATOM 1002 HE ARG A1958 15.166 14.901 7.006 1.00 0.00 H ATOM 1003 HH12 ARG A1958 12.958 15.252 3.581 1.00 0.00 H ATOM 1004 HH11 ARG A1958 13.028 16.634 4.735 1.00 0.00 H ATOM 1005 HH22 ARG A1958 14.099 13.303 4.046 1.00 0.00 H ATOM 1006 HH21 ARG A1958 15.060 13.160 5.563 1.00 0.00 H ATOM 1007 H ARG A1958 19.087 18.041 6.880 1.00 0.00 H ATOM 1008 N LYS A1959 17.031 20.129 8.554 1.00 35.11 N ATOM 1009 CA LYS A1959 16.525 21.101 9.505 1.00 36.88 C ATOM 1010 C LYS A1959 16.981 22.503 9.108 1.00 43.41 C ATOM 1011 O LYS A1959 16.199 23.442 9.110 1.00 40.84 O ATOM 1012 CB LYS A1959 16.990 20.773 10.928 1.00 40.58 C ATOM 1013 CG LYS A1959 15.869 20.690 11.958 1.00 61.72 C ATOM 1014 CD LYS A1959 15.131 22.008 12.106 1.00 60.48 C ATOM 1015 CE LYS A1959 14.227 22.020 13.347 1.00 77.14 C ATOM 1016 NZ LYS A1959 13.089 21.055 13.274 1.00 82.09 N ATOM 1017 HZ1 LYS A1959 12.492 21.286 12.454 1.00 0.00 H ATOM 1018 HZ2 LYS A1959 13.461 20.089 13.172 1.00 0.00 H ATOM 1019 HZ3 LYS A1959 12.524 21.120 14.145 1.00 0.00 H ATOM 1020 H LYS A1959 17.662 19.371 8.885 1.00 0.00 H ATOM 1021 N TYR A1960 18.257 22.624 8.773 1.00 35.69 N ATOM 1022 CA TYR A1960 18.816 23.884 8.303 1.00 38.25 C ATOM 1023 C TYR A1960 18.037 24.437 7.088 1.00 38.57 C ATOM 1024 O TYR A1960 17.663 25.618 7.058 1.00 36.22 O ATOM 1025 CB TYR A1960 20.293 23.683 7.957 1.00 36.35 C ATOM 1026 CG TYR A1960 21.059 24.966 7.746 1.00 38.81 C ATOM 1027 CD1 TYR A1960 21.398 25.784 8.823 1.00 37.99 C ATOM 1028 CD2 TYR A1960 21.450 25.365 6.468 1.00 46.40 C ATOM 1029 CE1 TYR A1960 22.102 26.958 8.636 1.00 45.46 C ATOM 1030 CE2 TYR A1960 22.152 26.546 6.274 1.00 44.23 C ATOM 1031 CZ TYR A1960 22.477 27.333 7.359 1.00 45.38 C ATOM 1032 OH TYR A1960 23.183 28.497 7.176 1.00 55.32 O ATOM 1033 HH TYR A1960 24.057 28.290 6.760 1.00 0.00 H ATOM 1034 H TYR A1960 18.879 21.794 8.848 1.00 0.00 H ATOM 1035 N PHE A1961 17.774 23.572 6.108 1.00 33.11 N ATOM 1036 CA PHE A1961 17.005 23.971 4.930 1.00 33.43 C ATOM 1037 C PHE A1961 15.629 24.495 5.285 1.00 38.40 C ATOM 1038 O PHE A1961 15.240 25.588 4.860 1.00 37.93 O ATOM 1039 CB PHE A1961 16.832 22.811 3.948 1.00 31.30 C ATOM 1040 CG PHE A1961 15.909 23.130 2.807 1.00 39.50 C ATOM 1041 CD1 PHE A1961 16.279 24.058 1.837 1.00 41.21 C ATOM 1042 CD2 PHE A1961 14.662 22.525 2.709 1.00 36.95 C ATOM 1043 CE1 PHE A1961 15.423 24.359 0.769 1.00 47.58 C ATOM 1044 CE2 PHE A1961 13.800 22.821 1.641 1.00 38.79 C ATOM 1045 CZ PHE A1961 14.183 23.745 0.676 1.00 31.81 C ATOM 1046 H PHE A1961 18.122 22.595 6.183 1.00 0.00 H ATOM 1047 N GLU A1962 14.886 23.705 6.053 1.00 38.68 N ATOM 1048 CA GLU A1962 13.506 24.052 6.347 1.00 46.33 C ATOM 1049 C GLU A1962 13.410 25.386 7.090 1.00 47.68 C ATOM 1050 O GLU A1962 12.457 26.137 6.896 1.00 50.07 O ATOM 1051 CB GLU A1962 12.826 22.930 7.144 1.00 45.46 C ATOM 1052 CG GLU A1962 12.784 21.554 6.410 1.00 51.34 C ATOM 1053 CD GLU A1962 11.976 21.547 5.092 1.00 67.02 C ATOM 1054 OE1 GLU A1962 11.294 22.550 4.770 1.00 64.12 O ATOM 1055 OE2 GLU A1962 12.018 20.514 4.376 1.00 61.93 O ATOM 1056 H GLU A1962 15.295 22.833 6.446 1.00 0.00 H ATOM 1057 N LYS A1963 14.407 25.699 7.911 1.00 50.51 N ATOM 1058 CA LYS A1963 14.409 26.981 8.611 1.00 50.45 C ATOM 1059 C LYS A1963 14.688 28.135 7.647 1.00 47.75 C ATOM 1060 O LYS A1963 14.011 29.167 7.691 1.00 51.93 O ATOM 1061 CB LYS A1963 15.435 26.985 9.742 1.00 54.83 C ATOM 1062 CG LYS A1963 15.526 28.313 10.498 1.00 67.63 C ATOM 1063 CD LYS A1963 14.208 28.676 11.167 1.00 74.99 C ATOM 1064 CE LYS A1963 14.377 29.844 12.147 1.00 74.70 C ATOM 1065 NZ LYS A1963 13.084 30.275 12.741 1.00 66.18 N ATOM 1066 HZ1 LYS A1963 12.441 30.581 11.983 1.00 0.00 H ATOM 1067 HZ2 LYS A1963 12.659 29.479 13.258 1.00 0.00 H ATOM 1068 HZ3 LYS A1963 13.251 31.066 13.395 1.00 0.00 H ATOM 1069 H LYS A1963 15.189 25.029 8.056 1.00 0.00 H ATOM 1070 N LYS A1964 15.694 27.964 6.790 1.00 45.53 N ATOM 1071 CA LYS A1964 15.976 28.951 5.747 1.00 52.67 C ATOM 1072 C LYS A1964 14.747 29.128 4.867 1.00 49.39 C ATOM 1073 O LYS A1964 14.351 30.247 4.575 1.00 51.00 O ATOM 1074 CB LYS A1964 17.179 28.540 4.889 1.00 50.42 C ATOM 1075 CG LYS A1964 18.516 28.574 5.612 1.00 56.01 C ATOM 1076 CD LYS A1964 18.948 29.994 5.952 1.00 66.68 C ATOM 1077 CE LYS A1964 20.340 30.011 6.581 1.00 71.72 C ATOM 1078 NZ LYS A1964 20.601 31.237 7.399 1.00 82.25 N ATOM 1079 HZ1 LYS A1964 20.518 32.079 6.795 1.00 0.00 H ATOM 1080 HZ2 LYS A1964 19.906 31.292 8.171 1.00 0.00 H ATOM 1081 HZ3 LYS A1964 21.560 31.188 7.798 1.00 0.00 H ATOM 1082 H LYS A1964 16.289 27.114 6.864 1.00 0.00 H ATOM 1083 N TRP A1965 14.143 28.012 4.466 1.00 47.14 N ATOM 1084 CA TRP A1965 12.943 28.032 3.631 1.00 45.17 C ATOM 1085 C TRP A1965 11.818 28.864 4.253 1.00 57.32 C ATOM 1086 O TRP A1965 11.261 29.765 3.611 1.00 51.60 O ATOM 1087 CB TRP A1965 12.445 26.609 3.384 1.00 41.32 C ATOM 1088 CG TRP A1965 11.476 26.521 2.242 1.00 51.32 C ATOM 1089 CD1 TRP A1965 10.134 26.276 2.315 1.00 54.36 C ATOM 1090 CD2 TRP A1965 11.776 26.703 0.854 1.00 44.94 C ATOM 1091 NE1 TRP A1965 9.582 26.284 1.057 1.00 56.19 N ATOM 1092 CE2 TRP A1965 10.567 26.542 0.142 1.00 46.61 C ATOM 1093 CE3 TRP A1965 12.948 26.977 0.144 1.00 39.77 C ATOM 1094 CZ2 TRP A1965 10.497 26.650 -1.251 1.00 42.64 C ATOM 1095 CZ3 TRP A1965 12.877 27.078 -1.246 1.00 49.11 C ATOM 1096 CH2 TRP A1965 11.657 26.916 -1.925 1.00 41.00 C ATOM 1097 HE1 TRP A1965 8.579 26.121 0.836 1.00 0.00 H ATOM 1098 H TRP A1965 14.538 27.095 4.756 1.00 0.00 H ATOM 1099 N THR A1966 11.491 28.542 5.503 1.00 56.66 N ATOM 1100 CA THR A1966 10.458 29.246 6.260 1.00 56.25 C ATOM 1101 C THR A1966 10.783 30.723 6.430 1.00 57.23 C ATOM 1102 O THR A1966 9.946 31.588 6.166 1.00 61.66 O ATOM 1103 CB THR A1966 10.271 28.620 7.648 1.00 55.77 C ATOM 1104 OG1 THR A1966 9.686 27.324 7.498 1.00 60.11 O ATOM 1105 CG2 THR A1966 9.363 29.482 8.512 1.00 64.59 C ATOM 1106 HG1 THR A1966 10.284 26.755 6.952 1.00 0.00 H ATOM 1107 H THR A1966 11.993 27.755 5.961 1.00 0.00 H ATOM 1108 N ASP A1967 12.005 31.002 6.870 1.00 52.59 N ATOM 1109 CA ASP A1967 12.448 32.374 7.072 1.00 54.24 C ATOM 1110 C ASP A1967 12.383 33.191 5.784 1.00 63.07 C ATOM 1111 O ASP A1967 12.072 34.380 5.813 1.00 64.34 O ATOM 1112 CB ASP A1967 13.873 32.398 7.626 1.00 61.75 C ATOM 1113 CG ASP A1967 13.958 31.889 9.059 1.00 71.48 C ATOM 1114 OD1 ASP A1967 12.899 31.666 9.700 1.00 61.87 O ATOM 1115 OD2 ASP A1967 15.101 31.718 9.539 1.00 69.96 O ATOM 1116 H ASP A1967 12.661 30.222 7.075 1.00 0.00 H ATOM 1117 N THR A1968 12.666 32.542 4.657 1.00 58.15 N ATOM 1118 CA THR A1968 12.731 33.225 3.370 1.00 56.62 C ATOM 1119 C THR A1968 11.360 33.455 2.741 1.00 61.24 C ATOM 1120 O THR A1968 11.061 34.559 2.306 1.00 71.60 O ATOM 1121 CB THR A1968 13.607 32.442 2.374 1.00 54.09 C ATOM 1122 OG1 THR A1968 14.936 32.329 2.898 1.00 52.02 O ATOM 1123 CG2 THR A1968 13.656 33.141 1.024 1.00 50.77 C ATOM 1124 HG1 THR A1968 14.908 31.850 3.764 1.00 0.00 H ATOM 1125 H THR A1968 12.846 31.518 4.695 1.00 0.00 H ATOM 1126 N PHE A1969 10.517 32.428 2.712 1.00 64.85 N ATOM 1127 CA PHE A1969 9.308 32.493 1.896 1.00 70.36 C ATOM 1128 C PHE A1969 7.989 32.548 2.657 1.00 86.98 C ATOM 1129 O PHE A1969 7.021 33.134 2.175 1.00 95.73 O ATOM 1130 CB PHE A1969 9.284 31.307 0.936 1.00 67.14 C ATOM 1131 CG PHE A1969 10.397 31.335 -0.066 1.00 64.70 C ATOM 1132 CD1 PHE A1969 10.407 32.286 -1.083 1.00 63.56 C ATOM 1133 CD2 PHE A1969 11.436 30.420 0.003 1.00 54.00 C ATOM 1134 CE1 PHE A1969 11.435 32.324 -2.017 1.00 55.63 C ATOM 1135 CE2 PHE A1969 12.472 30.452 -0.929 1.00 45.32 C ATOM 1136 CZ PHE A1969 12.471 31.409 -1.937 1.00 53.17 C ATOM 1137 H PHE A1969 10.719 31.575 3.272 1.00 0.00 H ATOM 1138 N LYS A1970 7.935 31.937 3.833 1.00101.54 N ATOM 1139 CA LYS A1970 6.688 31.918 4.590 1.00116.68 C ATOM 1140 C LYS A1970 6.608 33.191 5.440 1.00128.06 C ATOM 1141 O LYS A1970 7.356 33.346 6.407 1.00124.16 O ATOM 1142 CB LYS A1970 6.590 30.649 5.450 1.00110.59 C ATOM 1143 CG LYS A1970 6.590 29.316 4.661 1.00104.99 C ATOM 1144 CD LYS A1970 6.162 29.482 3.196 1.00104.54 C ATOM 1145 CE LYS A1970 6.529 28.271 2.334 1.00 98.05 C ATOM 1146 NZ LYS A1970 5.513 27.186 2.401 1.00 97.00 N ATOM 1147 HZ1 LYS A1970 5.420 26.860 3.384 1.00 0.00 H ATOM 1148 HZ2 LYS A1970 4.598 27.549 2.067 1.00 0.00 H ATOM 1149 HZ3 LYS A1970 5.814 26.393 1.799 1.00 0.00 H ATOM 1150 H LYS A1970 8.782 31.471 4.216 1.00 0.00 H ATOM 1151 N VAL A1971 5.683 34.081 5.065 1.00141.27 N ATOM 1152 CA VAL A1971 5.606 35.474 5.542 1.00151.30 C ATOM 1153 C VAL A1971 6.960 36.051 5.958 1.00153.42 C ATOM 1154 O VAL A1971 7.903 36.084 5.164 1.00150.14 O ATOM 1155 CB VAL A1971 4.608 35.642 6.731 1.00120.61 C ATOM 1156 CG1 VAL A1971 4.800 34.565 7.791 1.00122.81 C ATOM 1157 CG2 VAL A1971 4.728 37.036 7.342 1.00118.32 C ATOM 1158 H VAL A1971 4.962 33.766 4.384 1.00 0.00 H TER 1159 VAL A1971 HETATM 1160 O HOH 1 28.743 23.778 12.996 1.00 57.45 O HETATM 1161 O HOH 2 8.143 31.123 -10.732 1.00 61.02 O HETATM 1162 O HOH 3 21.965 9.354 0.108 1.00 40.00 O HETATM 1163 O HOH 4 11.741 18.033 4.608 1.00 48.38 O HETATM 1164 O HOH 5 21.247 10.858 -3.698 1.00 37.13 O HETATM 1165 O HOH 6 21.418 12.001 -0.137 1.00 40.37 O HETATM 1166 O HOH 7 22.600 29.004 -9.681 1.00 52.42 O HETATM 1167 O HOH 8 12.928 18.612 -11.245 1.00 57.16 O HETATM 1168 O HOH 9 22.771 12.921 -7.409 1.00 34.06 O HETATM 1169 O HOH 10 15.786 2.116 4.065 1.00 53.84 O HETATM 1170 O HOH 11 11.602 12.731 -1.772 1.00 47.48 O HETATM 1171 O HOH 12 24.415 3.823 7.825 1.00 59.59 O HETATM 1172 O HOH 13 25.329 1.651 -6.420 1.00 48.42 O HETATM 1173 O HOH 14 15.864 17.400 10.588 1.00 55.04 O HETATM 1174 O HOH 15 25.761 28.051 5.682 1.00 50.88 O HETATM 1175 O HOH 16 19.156 8.547 8.342 1.00 43.64 O HETATM 1176 O HOH 17 24.398 9.227 -7.566 1.00 43.44 O HETATM 1177 O HOH 18 -14.815 29.667 -15.048 1.00 47.46 O HETATM 1178 O HOH 19 18.496 12.968 5.756 1.00 34.26 O HETATM 1179 O HOH 20 25.591 12.929 -2.443 1.00 38.14 O HETATM 1180 O HOH 21 28.135 21.143 -4.799 1.00 54.56 O HETATM 1181 O HOH 22 10.953 15.266 -2.632 1.00 50.36 O HETATM 1182 O HOH 23 23.698 11.133 -5.601 1.00 37.41 O HETATM 1183 O HOH 24 23.178 13.322 -2.103 1.00 36.81 O HETATM 1184 O HOH 25 30.605 22.780 2.845 1.00 51.51 O HETATM 1185 O HOH 26 10.087 14.923 1.830 1.00 54.68 O HETATM 1186 O HOH 27 15.207 35.965 -9.110 1.00 44.72 O HETATM 1187 O HOH 28 16.556 13.900 7.501 1.00 44.25 O HETATM 1188 O HOH 29 24.118 32.752 -4.176 1.00 59.64 O HETATM 1189 O HOH 30 30.648 17.342 9.294 1.00 43.74 O HETATM 1190 O HOH 31 9.784 36.514 -5.317 1.00 48.63 O HETATM 1191 O HOH 32 19.552 11.110 7.365 1.00 33.24 O HETATM 1192 O HOH 33 30.308 8.612 -3.529 1.00 53.95 O HETATM 1193 O HOH 34 19.299 12.032 -10.820 1.00 47.82 O HETATM 1194 O HOH 35 15.078 8.012 -4.618 1.00 46.27 O HETATM 1195 O HOH 36 28.434 8.038 7.929 1.00 47.86 O HETATM 1196 O HOH 37 8.257 29.979 -8.157 1.00 53.41 O HETATM 1197 O HOH 38 -14.089 37.341 -14.923 1.00 53.92 O HETATM 1198 O HOH 39 19.452 16.522 13.819 1.00 54.32 O HETATM 1199 O HOH 40 20.095 4.768 -9.394 1.00 58.47 O HETATM 1200 O HOH 41 29.639 14.980 -2.002 1.00 44.59 O HETATM 1201 O HOH 42 12.500 13.222 8.880 1.00 62.24 O HETATM 1202 O HOH 43 16.712 15.659 -12.338 1.00 50.56 O HETATM 1203 O HOH 44 28.492 11.090 -0.469 1.00 62.53 O HETATM 1204 O HOH 45 14.794 5.271 -3.583 1.00 54.82 O HETATM 1205 O HOH 46 28.421 25.415 9.127 1.00 48.65 O HETATM 1206 O HOH 47 18.201 4.512 11.407 1.00 52.89 O HETATM 1207 O HOH 48 14.587 15.005 10.197 1.00 52.29 O HETATM 1208 O HOH 49 15.623 26.963 -12.768 1.00 36.38 O HETATM 1209 O HOH 50 29.607 11.816 -3.076 1.00 55.18 O HETATM 1210 O HOH 51 10.307 12.924 -5.201 1.00 73.57 O HETATM 1211 O HOH 52 23.557 -0.870 -6.608 1.00 62.93 O HETATM 1212 O HOH 53 11.281 14.240 -7.299 1.00 64.94 O HETATM 1213 O HOH 54 31.743 20.684 3.801 1.00 54.78 O HETATM 1214 O HOH 55 26.631 26.796 -11.958 1.00 64.90 O HETATM 1215 O HOH 56 21.931 12.261 -10.174 1.00 46.35 O HETATM 1216 O HOH 57 -2.861 28.203 -6.852 1.00 70.40 O HETATM 1217 O HOH 58 12.478 8.624 3.671 1.00 70.10 O HETATM 1218 O HOH 59 9.681 15.879 -0.546 1.00 59.82 O HETATM 1219 O HOH 60 12.708 8.630 -5.013 1.00 56.53 O HETATM 1220 O HOH 61 26.283 27.264 9.462 1.00 62.51 O HETATM 1221 O HOH 62 30.825 10.841 0.430 1.00 63.52 O HETATM 1222 O HOH 63 7.981 20.111 5.521 1.00 61.69 O HETATM 1223 O HOH 64 10.759 8.709 1.837 1.00 59.21 O HETATM 1224 O HOH 65 23.588 9.705 -10.048 1.00 49.55 O HETATM 1225 C01 UNN A 66 24.519 11.264 0.630 1.00 0.02 C HETATM 1226 N02 UNN A 66 25.569 10.346 0.639 1.00 -0.29 N HETATM 1227 C03 UNN A 66 25.324 9.002 1.001 1.00 0.22 C HETATM 1228 O04 UNN A 66 24.218 8.657 1.329 1.00 -0.38 O HETATM 1229 C05 UNN A 66 26.501 8.089 1.008 1.00 0.12 C HETATM 1230 N06 UNN A 66 27.500 8.410 0.240 1.00 -0.28 N HETATM 1231 C07 UNN A 66 28.596 7.684 0.205 1.00 0.02 C HETATM 1232 C08 UNN A 66 28.723 6.562 0.980 1.00 -0.02 C HETATM 1233 C09 UNN A 66 27.677 6.199 1.818 1.00 0.07 C HETATM 1234 C10 UNN A 66 26.537 6.999 1.829 1.00 0.00 C HETATM 1235 H7 UNN A 66 25.699 6.762 2.474 1.00 0.08 H HETATM 1236 CL UNN A 66 27.797 4.814 2.820 1.00 -0.06 CL HETATM 1237 H6 UNN A 66 29.627 5.966 0.940 1.00 0.07 H HETATM 1238 H5 UNN A 66 29.411 7.978 -0.447 1.00 0.08 H HETATM 1239 H4 UNN A 66 26.492 10.638 0.390 1.00 0.18 H HETATM 1240 H1 UNN A 66 24.897 12.251 0.325 1.00 0.05 H HETATM 1241 H2 UNN A 66 24.084 11.333 1.638 1.00 0.05 H HETATM 1242 H3 UNN A 66 23.748 10.932 -0.080 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1225 1226 1240 1241 1242 CONECT 1226 1225 1227 1239 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1234 CONECT 1230 1229 1231 CONECT 1231 1230 1232 1238 CONECT 1232 1231 1233 1237 CONECT 1233 1232 1234 1236 CONECT 1234 1229 1233 1235 CONECT 1235 1234 CONECT 1236 1233 CONECT 1237 1232 CONECT 1238 1231 CONECT 1239 1226 CONECT 1240 1225 CONECT 1241 1225 CONECT 1242 1225 MASTER 0 0 0 0 0 0 0 0 1241 1 22 9 END
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Structure:
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Related entries of code: 5mgg
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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117aa, >4IR5_1|Chain... *
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117aa, >4XUA_1|Chain... at 100%
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117aa, >4XUB_1|Chain... at 100%
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RCSB PDB
PDBbind
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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%
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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%
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RCSB PDB
PDBbind
117aa, >5OR9_1|Chain... at 100%
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RCSB PDB
PDBbind
117aa, >5ORB_1|Chain... at 100%
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117aa, >6FH6_1|Chain... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5mgl
RCSB PDB
PDBbind
7MU
Entry Information
PDB ID
5mgg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B
Ligand Name
7MU
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd>500uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Eur J Med Chem Vol. 139: pp. 564-572
Ligand Properties
Formula
C
7
H
7
ClN
2
O
Molecular Weight
170.596
Exact Mass
170.025
No. of atoms
18
No. of bonds
18
Polar Surface Area
41.99
LOGP Value
1.09 (
Computed with XLOGP3
)
1.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
CNC(=O)c1cc(Cl)ccn1
InChI String
InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
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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