Browse entries in the PDBbind-CN Database
HEADER 4NRA_COMPLEX COMPND 4NRA_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 304 26 ATOM 1 N SER A1856 30.311 19.382 11.700 1.00 40.43 N ATOM 2 CA SER A1856 29.842 20.082 12.922 1.00 46.69 C ATOM 3 C SER A1856 29.923 19.093 14.086 1.00 46.73 C ATOM 4 O SER A1856 30.506 18.034 13.953 1.00 47.93 O ATOM 5 CB SER A1856 28.406 20.582 12.702 1.00 41.12 C ATOM 6 OG SER A1856 27.533 19.503 12.541 1.00 38.62 O ATOM 7 HG SER A1856 27.557 18.937 13.353 1.00 0.00 H ATOM 8 HN3 SER A1856 29.702 18.559 11.518 1.00 0.00 H ATOM 9 HN2 SER A1856 31.292 19.065 11.838 1.00 0.00 H ATOM 10 HN1 SER A1856 30.266 20.033 10.890 1.00 0.00 H ATOM 11 N MET A1857 29.305 19.416 15.205 1.00 45.10 N ATOM 12 CA MET A1857 29.423 18.591 16.410 1.00 50.99 C ATOM 13 C MET A1857 29.008 17.134 16.151 1.00 47.18 C ATOM 14 O MET A1857 27.886 16.873 15.715 1.00 40.46 O ATOM 15 CB MET A1857 28.612 19.188 17.524 1.00 51.31 C ATOM 16 CG MET A1857 29.010 18.694 18.874 1.00 50.15 C ATOM 17 SD MET A1857 27.837 19.100 20.149 1.00 57.94 S ATOM 18 CE MET A1857 27.430 20.868 19.985 1.00 74.11 C ATOM 19 H MET A1857 28.721 20.276 15.233 1.00 0.00 H ATOM 20 N SER A1858 29.943 16.183 16.380 1.00 44.33 N ATOM 21 CA SER A1858 29.682 14.756 16.029 1.00 42.09 C ATOM 22 C SER A1858 29.478 14.504 14.517 1.00 39.52 C ATOM 23 O SER A1858 28.836 13.529 14.062 1.00 41.50 O ATOM 24 CB SER A1858 28.511 14.212 16.848 1.00 42.84 C ATOM 25 OG SER A1858 28.707 14.498 18.240 1.00 43.65 O ATOM 26 HG SER A1858 27.943 14.141 18.760 1.00 0.00 H ATOM 27 H SER A1858 30.854 16.449 16.805 1.00 0.00 H ATOM 28 N VAL A1859 30.022 15.345 13.671 1.00 39.43 N ATOM 29 CA VAL A1859 29.844 15.079 12.220 1.00 41.37 C ATOM 30 C VAL A1859 31.146 15.434 11.540 1.00 44.72 C ATOM 31 O VAL A1859 31.473 16.613 11.388 1.00 45.40 O ATOM 32 CB VAL A1859 28.670 15.916 11.607 1.00 43.90 C ATOM 33 CG1 VAL A1859 28.521 15.668 10.120 1.00 43.92 C ATOM 34 CG2 VAL A1859 27.354 15.643 12.318 1.00 47.40 C ATOM 35 H VAL A1859 30.560 16.170 14.004 1.00 0.00 H ATOM 36 N LYS A1860 31.939 14.429 11.194 1.00 54.95 N ATOM 37 CA LYS A1860 33.258 14.690 10.584 1.00 53.52 C ATOM 38 C LYS A1860 33.370 14.005 9.286 1.00 45.81 C ATOM 39 O LYS A1860 32.882 12.902 9.160 1.00 42.52 O ATOM 40 CB LYS A1860 34.404 14.225 11.516 1.00 60.11 C ATOM 41 CG LYS A1860 34.469 14.962 12.853 1.00 77.06 C ATOM 42 CD LYS A1860 34.541 16.488 12.696 1.00 79.71 C ATOM 43 CE LYS A1860 34.090 17.258 13.929 1.00 72.14 C ATOM 44 NZ LYS A1860 33.152 16.547 14.844 1.00 77.15 N ATOM 45 HZ1 LYS A1860 32.284 16.301 14.326 1.00 0.00 H ATOM 46 HZ2 LYS A1860 33.605 15.680 15.197 1.00 0.00 H ATOM 47 HZ3 LYS A1860 32.915 17.166 15.645 1.00 0.00 H ATOM 48 H LYS A1860 31.629 13.449 11.354 1.00 0.00 H ATOM 49 N LYS A1861 33.968 14.665 8.299 1.00 48.73 N ATOM 50 CA LYS A1861 34.353 13.953 7.110 1.00 60.58 C ATOM 51 C LYS A1861 35.434 12.936 7.466 1.00 52.08 C ATOM 52 O LYS A1861 36.045 13.016 8.532 1.00 47.94 O ATOM 53 CB LYS A1861 34.782 14.867 5.943 1.00 79.93 C ATOM 54 CG LYS A1861 35.338 16.236 6.283 1.00 78.89 C ATOM 55 CD LYS A1861 36.075 16.811 5.074 1.00 91.71 C ATOM 56 CE LYS A1861 35.143 17.528 4.118 1.00 87.70 C ATOM 57 NZ LYS A1861 34.575 18.726 4.795 1.00 86.43 N ATOM 58 HZ1 LYS A1861 34.047 18.428 5.640 1.00 0.00 H ATOM 59 HZ2 LYS A1861 35.348 19.364 5.074 1.00 0.00 H ATOM 60 HZ3 LYS A1861 33.935 19.221 4.142 1.00 0.00 H ATOM 61 H LYS A1861 34.155 15.684 8.386 1.00 0.00 H ATOM 62 N PRO A1862 35.618 11.945 6.605 1.00 53.52 N ATOM 63 CA PRO A1862 36.629 10.921 6.844 1.00 58.72 C ATOM 64 C PRO A1862 38.043 11.499 7.103 1.00 62.03 C ATOM 65 O PRO A1862 38.489 12.424 6.386 1.00 54.33 O ATOM 66 CB PRO A1862 36.622 10.113 5.534 1.00 64.50 C ATOM 67 CG PRO A1862 35.281 10.365 4.946 1.00 63.29 C ATOM 68 CD PRO A1862 34.928 11.749 5.317 1.00 55.05 C ATOM 69 N LYS A1863 38.715 10.939 8.121 1.00 60.93 N ATOM 70 CA LYS A1863 40.075 11.352 8.495 1.00 72.66 C ATOM 71 C LYS A1863 41.085 11.090 7.349 1.00 66.21 C ATOM 72 O LYS A1863 41.529 9.968 7.174 1.00 64.41 O ATOM 73 CB LYS A1863 40.526 10.631 9.786 1.00 72.51 C ATOM 74 H LYS A1863 38.255 10.183 8.667 1.00 0.00 H ATOM 75 N ARG A1864 41.365 12.108 6.538 1.00 56.16 N ATOM 76 CA ARG A1864 42.607 12.150 5.705 1.00 68.47 C ATOM 77 C ARG A1864 43.916 11.948 6.526 1.00 56.88 C ATOM 78 O ARG A1864 44.147 12.676 7.473 1.00 67.18 O ATOM 79 CB ARG A1864 42.697 13.479 4.963 1.00 64.90 C ATOM 80 CG ARG A1864 43.961 13.609 4.129 1.00 61.43 C ATOM 81 CD ARG A1864 44.663 14.964 4.208 1.00 56.70 C ATOM 82 NE ARG A1864 46.034 14.809 3.680 1.00 52.74 N ATOM 83 CZ ARG A1864 47.169 15.139 4.308 1.00 47.56 C ATOM 84 NH1 ARG A1864 47.174 15.779 5.476 1.00 40.08 N ATOM 85 NH2 ARG A1864 48.323 14.854 3.737 1.00 47.78 N ATOM 86 HE ARG A1864 46.126 14.404 2.727 1.00 0.00 H ATOM 87 HH12 ARG A1864 48.077 16.019 5.934 1.00 0.00 H ATOM 88 HH11 ARG A1864 46.275 16.039 5.930 1.00 0.00 H ATOM 89 HH22 ARG A1864 49.214 15.104 4.212 1.00 0.00 H ATOM 90 HH21 ARG A1864 48.342 14.379 2.812 1.00 0.00 H ATOM 91 H ARG A1864 40.696 12.903 6.482 1.00 0.00 H ATOM 92 N ASP A1865 44.742 10.957 6.158 1.00 60.15 N ATOM 93 CA ASP A1865 45.894 10.493 6.966 1.00 61.58 C ATOM 94 C ASP A1865 47.040 11.520 6.934 1.00 48.03 C ATOM 95 O ASP A1865 47.630 11.792 5.888 1.00 49.07 O ATOM 96 CB ASP A1865 46.388 9.103 6.491 1.00 68.11 C ATOM 97 CG ASP A1865 47.558 8.542 7.326 1.00 66.27 C ATOM 98 OD1 ASP A1865 47.945 9.102 8.374 1.00 57.66 O ATOM 99 OD2 ASP A1865 48.113 7.514 6.918 1.00 70.63 O ATOM 100 H ASP A1865 44.563 10.485 5.249 1.00 0.00 H ATOM 101 N ASP A1866 47.315 12.093 8.095 1.00 45.86 N ATOM 102 CA ASP A1866 48.285 13.199 8.218 1.00 49.16 C ATOM 103 C ASP A1866 49.553 12.795 8.969 1.00 45.79 C ATOM 104 O ASP A1866 50.389 13.650 9.257 1.00 39.41 O ATOM 105 CB ASP A1866 47.638 14.387 8.941 1.00 44.89 C ATOM 106 CG ASP A1866 47.342 14.092 10.410 1.00 46.50 C ATOM 107 OD1 ASP A1866 47.332 12.915 10.797 1.00 51.97 O ATOM 108 OD2 ASP A1866 47.090 15.035 11.169 1.00 54.94 O ATOM 109 H ASP A1866 46.831 11.752 8.950 1.00 0.00 H ATOM 110 N SER A1867 49.691 11.509 9.291 1.00 46.92 N ATOM 111 CA SER A1867 50.843 11.032 10.093 1.00 50.71 C ATOM 112 C SER A1867 52.224 11.177 9.444 1.00 44.64 C ATOM 113 O SER A1867 53.225 11.212 10.160 1.00 41.91 O ATOM 114 CB SER A1867 50.654 9.567 10.474 1.00 55.14 C ATOM 115 OG SER A1867 50.471 8.801 9.308 1.00 55.28 O ATOM 116 HG SER A1867 49.669 9.124 8.825 1.00 0.00 H ATOM 117 H SER A1867 48.975 10.825 8.973 1.00 0.00 H ATOM 118 N LYS A1868 52.271 11.193 8.110 1.00 44.48 N ATOM 119 CA LYS A1868 53.503 11.342 7.343 1.00 39.38 C ATOM 120 C LYS A1868 53.791 12.783 6.884 1.00 35.77 C ATOM 121 O LYS A1868 54.818 13.043 6.242 1.00 38.18 O ATOM 122 CB LYS A1868 53.445 10.460 6.122 1.00 45.78 C ATOM 123 CG LYS A1868 53.236 8.967 6.474 1.00 54.53 C ATOM 124 CD LYS A1868 54.078 8.073 5.578 1.00 81.65 C ATOM 125 CE LYS A1868 53.438 7.840 4.210 1.00102.71 C ATOM 126 NZ LYS A1868 52.658 6.561 4.150 1.00 93.45 N ATOM 127 HZ1 LYS A1868 53.292 5.760 4.348 1.00 0.00 H ATOM 128 HZ2 LYS A1868 51.898 6.586 4.859 1.00 0.00 H ATOM 129 HZ3 LYS A1868 52.245 6.452 3.202 1.00 0.00 H ATOM 130 H LYS A1868 51.378 11.093 7.587 1.00 0.00 H ATOM 131 N ASP A1869 52.930 13.722 7.252 1.00 33.78 N ATOM 132 CA ASP A1869 53.085 15.126 6.773 1.00 30.68 C ATOM 133 C ASP A1869 54.379 15.739 7.221 1.00 28.07 C ATOM 134 O ASP A1869 55.050 16.460 6.441 1.00 32.59 O ATOM 135 CB ASP A1869 51.946 16.029 7.247 1.00 27.42 C ATOM 136 CG ASP A1869 50.605 15.720 6.548 1.00 29.45 C ATOM 137 OD1 ASP A1869 50.562 14.845 5.672 1.00 32.48 O ATOM 138 OD2 ASP A1869 49.580 16.361 6.910 1.00 34.57 O ATOM 139 H ASP A1869 52.139 13.477 7.881 1.00 0.00 H ATOM 140 N LEU A1870 54.693 15.595 8.500 1.00 33.93 N ATOM 141 CA LEU A1870 55.966 16.124 9.011 1.00 35.20 C ATOM 142 C LEU A1870 57.194 15.677 8.194 1.00 37.42 C ATOM 143 O LEU A1870 58.030 16.528 7.760 1.00 31.70 O ATOM 144 CB LEU A1870 56.107 15.879 10.518 1.00 34.66 C ATOM 145 CG LEU A1870 57.336 16.449 11.249 1.00 39.99 C ATOM 146 CD1 LEU A1870 57.403 17.969 11.155 1.00 37.98 C ATOM 147 CD2 LEU A1870 57.380 16.057 12.727 1.00 48.54 C ATOM 148 H LEU A1870 54.038 15.107 9.144 1.00 0.00 H ATOM 149 N ALA A1871 57.286 14.386 7.934 1.00 32.76 N ATOM 150 CA ALA A1871 58.393 13.827 7.189 1.00 37.12 C ATOM 151 C ALA A1871 58.396 14.314 5.767 1.00 40.76 C ATOM 152 O ALA A1871 59.438 14.576 5.193 1.00 35.14 O ATOM 153 CB ALA A1871 58.314 12.297 7.174 1.00 41.29 C ATOM 154 H ALA A1871 56.538 13.750 8.276 1.00 0.00 H ATOM 155 N LEU A1872 57.225 14.350 5.162 1.00 33.00 N ATOM 156 CA LEU A1872 57.160 14.779 3.767 1.00 37.14 C ATOM 157 C LEU A1872 57.483 16.286 3.572 1.00 33.89 C ATOM 158 O LEU A1872 58.173 16.670 2.609 1.00 31.92 O ATOM 159 CB LEU A1872 55.779 14.486 3.223 1.00 34.85 C ATOM 160 CG LEU A1872 55.443 13.010 3.071 1.00 43.71 C ATOM 161 CD1 LEU A1872 53.930 12.769 3.018 1.00 44.32 C ATOM 162 CD2 LEU A1872 56.112 12.493 1.789 1.00 46.75 C ATOM 163 H LEU A1872 56.360 14.077 5.671 1.00 0.00 H ATOM 164 N CYS A1873 56.994 17.125 4.477 1.00 28.76 N ATOM 165 CA CYS A1873 57.368 18.548 4.452 1.00 28.14 C ATOM 166 C CYS A1873 58.883 18.752 4.640 1.00 31.31 C ATOM 167 O CYS A1873 59.502 19.584 3.936 1.00 28.76 O ATOM 168 CB CYS A1873 56.641 19.353 5.497 1.00 25.53 C ATOM 169 SG CYS A1873 54.903 19.625 5.147 1.00 27.53 S ATOM 170 H CYS A1873 56.343 16.775 5.208 1.00 0.00 H ATOM 171 N SER A1874 59.461 17.989 5.560 1.00 33.80 N ATOM 172 CA SER A1874 60.934 17.962 5.713 1.00 32.51 C ATOM 173 C SER A1874 61.650 17.583 4.407 1.00 36.37 C ATOM 174 O SER A1874 62.622 18.246 4.028 1.00 31.26 O ATOM 175 CB SER A1874 61.343 17.058 6.847 1.00 36.17 C ATOM 176 OG SER A1874 62.749 16.981 6.906 1.00 37.28 O ATOM 177 HG SER A1874 63.094 16.617 6.053 1.00 0.00 H ATOM 178 H SER A1874 58.871 17.401 6.183 1.00 0.00 H ATOM 179 N MET A1875 61.168 16.550 3.714 1.00 35.19 N ATOM 180 CA MET A1875 61.758 16.153 2.435 1.00 37.99 C ATOM 181 C MET A1875 61.660 17.259 1.406 1.00 30.92 C ATOM 182 O MET A1875 62.646 17.528 0.705 1.00 33.33 O ATOM 183 CB MET A1875 61.144 14.871 1.839 1.00 37.16 C ATOM 184 CG MET A1875 61.736 13.583 2.341 1.00 71.38 C ATOM 185 SD MET A1875 60.777 12.199 1.655 1.00 65.51 S ATOM 186 CE MET A1875 61.387 12.196 -0.051 1.00 64.04 C ATOM 187 H MET A1875 60.358 16.017 4.090 1.00 0.00 H ATOM 188 N ILE A1876 60.487 17.877 1.284 1.00 28.10 N ATOM 189 CA ILE A1876 60.309 19.008 0.356 1.00 31.07 C ATOM 190 C ILE A1876 61.290 20.142 0.691 1.00 28.32 C ATOM 191 O ILE A1876 61.896 20.717 -0.181 1.00 27.96 O ATOM 192 CB ILE A1876 58.840 19.520 0.296 1.00 26.36 C ATOM 193 CG1 ILE A1876 57.919 18.454 -0.296 1.00 29.41 C ATOM 194 CG2 ILE A1876 58.701 20.810 -0.485 1.00 26.22 C ATOM 195 CD1 ILE A1876 56.445 18.758 -0.156 1.00 30.96 C ATOM 196 H ILE A1876 59.680 17.555 1.855 1.00 0.00 H ATOM 197 N LEU A1877 61.425 20.442 1.960 1.00 27.19 N ATOM 198 CA LEU A1877 62.249 21.520 2.401 1.00 26.15 C ATOM 199 C LEU A1877 63.685 21.209 2.072 1.00 29.19 C ATOM 200 O LEU A1877 64.363 22.097 1.633 1.00 25.77 O ATOM 201 CB LEU A1877 62.099 21.767 3.925 1.00 27.11 C ATOM 202 CG LEU A1877 62.792 23.010 4.503 1.00 25.83 C ATOM 203 CD1 LEU A1877 62.557 24.294 3.764 1.00 22.98 C ATOM 204 CD2 LEU A1877 62.466 23.252 5.985 1.00 29.18 C ATOM 205 H LEU A1877 60.915 19.876 2.668 1.00 0.00 H ATOM 206 N THR A1878 64.126 19.952 2.246 1.00 23.97 N ATOM 207 CA THR A1878 65.481 19.540 1.868 1.00 27.96 C ATOM 208 C THR A1878 65.707 19.752 0.401 1.00 32.83 C ATOM 209 O THR A1878 66.746 20.265 0.034 1.00 30.62 O ATOM 210 CB THR A1878 65.760 18.093 2.212 1.00 31.75 C ATOM 211 OG1 THR A1878 65.634 17.938 3.637 1.00 33.77 O ATOM 212 CG2 THR A1878 67.190 17.679 1.738 1.00 40.44 C ATOM 213 HG1 THR A1878 65.813 16.996 3.882 1.00 0.00 H ATOM 214 H THR A1878 63.484 19.248 2.663 1.00 0.00 H ATOM 215 N GLU A1879 64.716 19.428 -0.428 1.00 25.89 N ATOM 216 CA GLU A1879 64.838 19.624 -1.852 1.00 30.77 C ATOM 217 C GLU A1879 64.951 21.122 -2.178 1.00 32.08 C ATOM 218 O GLU A1879 65.676 21.516 -3.092 1.00 32.51 O ATOM 219 CB GLU A1879 63.691 18.932 -2.597 1.00 30.80 C ATOM 220 CG GLU A1879 63.816 17.391 -2.542 1.00 39.24 C ATOM 221 CD GLU A1879 62.531 16.614 -2.805 1.00 48.38 C ATOM 222 OE1 GLU A1879 62.590 15.366 -2.767 1.00 60.85 O ATOM 223 OE2 GLU A1879 61.470 17.229 -2.995 1.00 46.59 O ATOM 224 H GLU A1879 63.838 19.026 -0.041 1.00 0.00 H ATOM 225 N MET A1880 64.251 21.942 -1.403 1.00 27.72 N ATOM 226 CA MET A1880 64.276 23.406 -1.543 1.00 27.02 C ATOM 227 C MET A1880 65.674 23.935 -1.204 1.00 28.02 C ATOM 228 O MET A1880 66.276 24.699 -1.974 1.00 33.40 O ATOM 229 CB MET A1880 63.236 24.055 -0.614 1.00 22.80 C ATOM 230 CG MET A1880 61.774 23.736 -0.917 1.00 22.71 C ATOM 231 SD MET A1880 61.347 24.182 -2.613 1.00 24.11 S ATOM 232 CE MET A1880 60.900 25.885 -2.331 1.00 27.02 C ATOM 233 H MET A1880 63.654 21.528 -0.659 1.00 0.00 H ATOM 234 N GLU A1881 66.182 23.471 -0.062 1.00 26.53 N ATOM 235 CA GLU A1881 67.474 23.897 0.464 1.00 30.48 C ATOM 236 C GLU A1881 68.622 23.581 -0.472 1.00 32.66 C ATOM 237 O GLU A1881 69.593 24.319 -0.500 1.00 30.25 O ATOM 238 CB GLU A1881 67.723 23.260 1.833 1.00 32.29 C ATOM 239 CG GLU A1881 66.813 23.793 2.951 1.00 30.12 C ATOM 240 CD GLU A1881 66.787 22.863 4.166 1.00 33.60 C ATOM 241 OE1 GLU A1881 67.067 21.645 4.034 1.00 32.95 O ATOM 242 OE2 GLU A1881 66.420 23.298 5.241 1.00 32.10 O ATOM 243 H GLU A1881 65.632 22.773 0.479 1.00 0.00 H ATOM 244 N THR A1882 68.529 22.485 -1.214 1.00 28.35 N ATOM 245 CA THR A1882 69.645 22.023 -2.044 1.00 35.16 C ATOM 246 C THR A1882 69.503 22.463 -3.511 1.00 35.39 C ATOM 247 O THR A1882 70.408 22.236 -4.306 1.00 41.18 O ATOM 248 CB THR A1882 69.805 20.484 -1.965 1.00 38.33 C ATOM 249 OG1 THR A1882 68.558 19.872 -2.284 1.00 38.48 O ATOM 250 CG2 THR A1882 70.187 20.060 -0.568 1.00 44.74 C ATOM 251 HG1 THR A1882 67.870 20.171 -1.638 1.00 0.00 H ATOM 252 H THR A1882 67.643 21.941 -1.206 1.00 0.00 H ATOM 253 N HIS A1883 68.398 23.095 -3.876 1.00 30.50 N ATOM 254 CA HIS A1883 68.253 23.700 -5.221 1.00 30.89 C ATOM 255 C HIS A1883 69.343 24.777 -5.433 1.00 39.11 C ATOM 256 O HIS A1883 69.644 25.584 -4.551 1.00 30.94 O ATOM 257 CB HIS A1883 66.851 24.313 -5.348 1.00 31.40 C ATOM 258 CG HIS A1883 66.432 24.671 -6.750 1.00 37.68 C ATOM 259 ND1 HIS A1883 67.107 25.580 -7.528 1.00 38.63 N ATOM 260 CD2 HIS A1883 65.331 24.330 -7.462 1.00 31.31 C ATOM 261 CE1 HIS A1883 66.459 25.772 -8.656 1.00 36.87 C ATOM 262 NE2 HIS A1883 65.388 25.002 -8.649 1.00 34.82 N ATOM 263 H HIS A1883 67.611 23.169 -3.200 1.00 0.00 H ATOM 264 N GLU A1884 69.906 24.795 -6.631 1.00 33.81 N ATOM 265 CA GLU A1884 70.940 25.769 -7.005 1.00 38.18 C ATOM 266 C GLU A1884 70.531 27.196 -6.826 1.00 34.15 C ATOM 267 O GLU A1884 71.376 28.061 -6.577 1.00 36.28 O ATOM 268 CB GLU A1884 71.305 25.520 -8.485 1.00 42.55 C ATOM 269 CG GLU A1884 72.350 26.393 -9.106 1.00 64.16 C ATOM 270 CD GLU A1884 72.473 26.082 -10.595 1.00 61.89 C ATOM 271 OE1 GLU A1884 72.452 27.041 -11.372 1.00 61.59 O ATOM 272 OE2 GLU A1884 72.534 24.889 -10.986 1.00 69.15 O ATOM 273 H GLU A1884 69.604 24.092 -7.335 1.00 0.00 H ATOM 274 N ASP A1885 69.245 27.494 -6.972 1.00 29.26 N ATOM 275 CA ASP A1885 68.753 28.869 -6.877 1.00 28.89 C ATOM 276 C ASP A1885 68.177 29.236 -5.484 1.00 27.99 C ATOM 277 O ASP A1885 67.453 30.217 -5.348 1.00 29.90 O ATOM 278 CB ASP A1885 67.654 29.139 -7.902 1.00 31.23 C ATOM 279 CG ASP A1885 68.136 29.011 -9.345 1.00 38.00 C ATOM 280 OD1 ASP A1885 69.377 29.068 -9.603 1.00 36.66 O ATOM 281 OD2 ASP A1885 67.246 28.901 -10.222 1.00 35.68 O ATOM 282 H ASP A1885 68.568 26.727 -7.159 1.00 0.00 H ATOM 283 N ALA A1886 68.510 28.450 -4.486 1.00 26.84 N ATOM 284 CA ALA A1886 68.024 28.683 -3.118 1.00 29.86 C ATOM 285 C ALA A1886 68.861 29.728 -2.361 1.00 25.86 C ATOM 286 O ALA A1886 68.432 30.173 -1.285 1.00 25.71 O ATOM 287 CB ALA A1886 68.005 27.388 -2.314 1.00 26.31 C ATOM 288 H ALA A1886 69.135 27.639 -4.669 1.00 0.00 H ATOM 289 N TRP A1887 70.023 30.069 -2.905 1.00 31.32 N ATOM 290 CA TRP A1887 71.003 30.911 -2.187 1.00 29.52 C ATOM 291 C TRP A1887 70.421 32.209 -1.642 1.00 25.43 C ATOM 292 O TRP A1887 70.816 32.599 -0.540 1.00 31.89 O ATOM 293 CB TRP A1887 72.278 31.151 -2.988 1.00 35.86 C ATOM 294 CG TRP A1887 72.025 31.746 -4.279 1.00 34.17 C ATOM 295 CD1 TRP A1887 71.832 31.080 -5.450 1.00 39.41 C ATOM 296 CD2 TRP A1887 71.921 33.138 -4.576 1.00 32.29 C ATOM 297 NE1 TRP A1887 71.588 31.966 -6.458 1.00 34.95 N ATOM 298 CE2 TRP A1887 71.649 33.243 -5.958 1.00 37.33 C ATOM 299 CE3 TRP A1887 72.022 34.319 -3.809 1.00 32.79 C ATOM 300 CZ2 TRP A1887 71.475 34.475 -6.598 1.00 32.61 C ATOM 301 CZ3 TRP A1887 71.850 35.544 -4.442 1.00 32.14 C ATOM 302 CH2 TRP A1887 71.570 35.614 -5.832 1.00 37.35 C ATOM 303 HE1 TRP A1887 71.388 31.714 -7.447 1.00 0.00 H ATOM 304 H TRP A1887 70.250 29.734 -3.863 1.00 0.00 H ATOM 305 N PRO A1888 69.453 32.851 -2.334 1.00 24.77 N ATOM 306 CA PRO A1888 68.972 34.073 -1.712 1.00 24.66 C ATOM 307 C PRO A1888 68.137 33.855 -0.461 1.00 26.11 C ATOM 308 O PRO A1888 67.836 34.852 0.214 1.00 24.19 O ATOM 309 CB PRO A1888 68.069 34.713 -2.796 1.00 24.96 C ATOM 310 CG PRO A1888 68.446 34.069 -4.073 1.00 26.54 C ATOM 311 CD PRO A1888 68.836 32.671 -3.673 1.00 27.43 C ATOM 312 N PHE A1889 67.698 32.609 -0.237 1.00 24.44 N ATOM 313 CA PHE A1889 66.597 32.287 0.681 1.00 23.97 C ATOM 314 C PHE A1889 67.033 31.425 1.877 1.00 23.83 C ATOM 315 O PHE A1889 66.213 31.060 2.729 1.00 22.80 O ATOM 316 CB PHE A1889 65.440 31.610 -0.072 1.00 26.26 C ATOM 317 CG PHE A1889 65.059 32.331 -1.347 1.00 25.75 C ATOM 318 CD1 PHE A1889 64.570 33.635 -1.290 1.00 22.43 C ATOM 319 CD2 PHE A1889 65.249 31.750 -2.580 1.00 23.25 C ATOM 320 CE1 PHE A1889 64.293 34.332 -2.424 1.00 25.21 C ATOM 321 CE2 PHE A1889 64.961 32.456 -3.737 1.00 22.87 C ATOM 322 CZ PHE A1889 64.482 33.731 -3.666 1.00 21.86 C ATOM 323 H PHE A1889 68.162 31.827 -0.741 1.00 0.00 H ATOM 324 N LEU A1890 68.310 31.117 1.945 1.00 25.91 N ATOM 325 CA LEU A1890 68.774 30.111 2.865 1.00 28.30 C ATOM 326 C LEU A1890 68.828 30.652 4.286 1.00 29.42 C ATOM 327 O LEU A1890 68.615 29.903 5.225 1.00 26.47 O ATOM 328 CB LEU A1890 70.142 29.604 2.488 1.00 29.55 C ATOM 329 CG LEU A1890 70.170 28.758 1.209 1.00 33.60 C ATOM 330 CD1 LEU A1890 71.586 28.389 0.821 1.00 37.36 C ATOM 331 CD2 LEU A1890 69.259 27.521 1.393 1.00 37.47 C ATOM 332 H LEU A1890 68.991 31.605 1.329 1.00 0.00 H ATOM 333 N LEU A1891 69.131 31.947 4.408 1.00 24.50 N ATOM 334 CA LEU A1891 69.281 32.593 5.704 1.00 25.32 C ATOM 335 C LEU A1891 68.420 33.849 5.755 1.00 24.86 C ATOM 336 O LEU A1891 68.088 34.410 4.699 1.00 25.58 O ATOM 337 CB LEU A1891 70.750 32.948 5.889 1.00 27.84 C ATOM 338 CG LEU A1891 71.815 31.830 6.017 1.00 31.71 C ATOM 339 CD1 LEU A1891 73.228 32.422 6.174 1.00 36.46 C ATOM 340 CD2 LEU A1891 71.544 30.902 7.183 1.00 35.18 C ATOM 341 H LEU A1891 69.265 32.514 3.547 1.00 0.00 H ATOM 342 N PRO A1892 68.078 34.313 6.961 1.00 26.22 N ATOM 343 CA PRO A1892 67.375 35.582 7.072 1.00 26.01 C ATOM 344 C PRO A1892 68.153 36.706 6.384 1.00 28.30 C ATOM 345 O PRO A1892 69.394 36.733 6.425 1.00 30.16 O ATOM 346 CB PRO A1892 67.327 35.879 8.586 1.00 29.82 C ATOM 347 CG PRO A1892 67.878 34.707 9.287 1.00 30.96 C ATOM 348 CD PRO A1892 68.466 33.754 8.278 1.00 27.95 C ATOM 349 N VAL A1893 67.423 37.562 5.683 1.00 26.53 N ATOM 350 CA VAL A1893 68.020 38.826 5.158 1.00 27.47 C ATOM 351 C VAL A1893 68.580 39.599 6.302 1.00 29.57 C ATOM 352 O VAL A1893 67.921 39.696 7.378 1.00 30.02 O ATOM 353 CB VAL A1893 66.962 39.674 4.453 1.00 34.10 C ATOM 354 CG1 VAL A1893 67.540 41.037 4.005 1.00 33.28 C ATOM 355 CG2 VAL A1893 66.404 38.921 3.268 1.00 30.79 C ATOM 356 H VAL A1893 66.422 37.351 5.496 1.00 0.00 H ATOM 357 N ASN A1894 69.818 40.089 6.115 1.00 32.95 N ATOM 358 CA ASN A1894 70.507 40.843 7.125 1.00 40.15 C ATOM 359 C ASN A1894 69.920 42.268 7.129 1.00 39.10 C ATOM 360 O ASN A1894 70.152 43.048 6.228 1.00 37.03 O ATOM 361 CB ASN A1894 72.030 40.878 6.882 1.00 42.71 C ATOM 362 CG ASN A1894 72.780 41.535 8.035 1.00 47.76 C ATOM 363 OD1 ASN A1894 72.283 42.469 8.681 1.00 47.07 O ATOM 364 ND2 ASN A1894 73.966 41.034 8.326 1.00 49.45 N ATOM 365 HD22 ASN A1894 74.352 40.250 7.762 1.00 0.00 H ATOM 366 HD21 ASN A1894 74.515 41.423 9.119 1.00 0.00 H ATOM 367 H ASN A1894 70.294 39.916 5.207 1.00 0.00 H ATOM 368 N LEU A1895 69.128 42.540 8.152 1.00 33.39 N ATOM 369 CA LEU A1895 68.351 43.769 8.266 1.00 39.06 C ATOM 370 C LEU A1895 69.190 44.969 8.576 1.00 47.37 C ATOM 371 O LEU A1895 68.773 46.112 8.302 1.00 53.60 O ATOM 372 CB LEU A1895 67.254 43.621 9.347 1.00 38.19 C ATOM 373 CG LEU A1895 66.211 42.503 9.168 1.00 38.05 C ATOM 374 CD1 LEU A1895 65.229 42.440 10.347 1.00 41.87 C ATOM 375 CD2 LEU A1895 65.469 42.620 7.832 1.00 34.70 C ATOM 376 H LEU A1895 69.055 41.839 8.917 1.00 0.00 H ATOM 377 N LYS A1896 70.378 44.743 9.120 1.00 52.68 N ATOM 378 CA LYS A1896 71.311 45.847 9.333 1.00 56.63 C ATOM 379 C LYS A1896 72.023 46.197 8.049 1.00 50.23 C ATOM 380 O LYS A1896 72.448 47.337 7.871 1.00 53.91 O ATOM 381 CB LYS A1896 72.330 45.498 10.410 1.00 65.77 C ATOM 382 CG LYS A1896 71.685 45.183 11.742 1.00 78.54 C ATOM 383 CD LYS A1896 72.711 44.734 12.761 1.00 97.16 C ATOM 384 CE LYS A1896 72.038 44.397 14.082 1.00106.89 C ATOM 385 NZ LYS A1896 73.021 44.335 15.195 1.00109.02 N ATOM 386 HZ1 LYS A1896 73.729 43.602 14.990 1.00 0.00 H ATOM 387 HZ2 LYS A1896 73.492 45.257 15.291 1.00 0.00 H ATOM 388 HZ3 LYS A1896 72.527 44.103 16.080 1.00 0.00 H ATOM 389 H LYS A1896 70.646 43.777 9.396 1.00 0.00 H ATOM 390 N LEU A1897 72.151 45.242 7.149 1.00 45.70 N ATOM 391 CA LEU A1897 72.936 45.457 5.943 1.00 49.14 C ATOM 392 C LEU A1897 72.166 45.642 4.682 1.00 47.41 C ATOM 393 O LEU A1897 72.771 45.949 3.674 1.00 51.87 O ATOM 394 CB LEU A1897 73.907 44.301 5.730 1.00 58.13 C ATOM 395 CG LEU A1897 74.889 44.116 6.906 1.00 70.64 C ATOM 396 CD1 LEU A1897 75.893 43.023 6.563 1.00 72.37 C ATOM 397 CD2 LEU A1897 75.600 45.403 7.331 1.00 72.32 C ATOM 398 H LEU A1897 71.686 44.325 7.303 1.00 0.00 H ATOM 399 N VAL A1898 70.851 45.431 4.706 1.00 40.27 N ATOM 400 CA VAL A1898 70.031 45.621 3.519 1.00 33.22 C ATOM 401 C VAL A1898 69.029 46.770 3.729 1.00 45.78 C ATOM 402 O VAL A1898 67.969 46.577 4.315 1.00 40.26 O ATOM 403 CB VAL A1898 69.300 44.346 3.102 1.00 41.69 C ATOM 404 CG1 VAL A1898 68.496 44.578 1.831 1.00 36.83 C ATOM 405 CG2 VAL A1898 70.310 43.197 2.920 1.00 40.44 C ATOM 406 H VAL A1898 70.401 45.124 5.592 1.00 0.00 H ATOM 407 N PRO A1899 69.395 47.977 3.262 1.00 46.71 N ATOM 408 CA PRO A1899 68.528 49.154 3.374 1.00 58.79 C ATOM 409 C PRO A1899 67.111 48.928 2.827 1.00 48.16 C ATOM 410 O PRO A1899 66.934 48.346 1.731 1.00 42.96 O ATOM 411 CB PRO A1899 69.273 50.250 2.540 1.00 65.26 C ATOM 412 CG PRO A1899 70.705 49.827 2.523 1.00 67.67 C ATOM 413 CD PRO A1899 70.713 48.309 2.666 1.00 55.58 C ATOM 414 N GLY A1900 66.113 49.393 3.589 1.00 40.61 N ATOM 415 CA GLY A1900 64.712 49.214 3.196 1.00 40.37 C ATOM 416 C GLY A1900 64.034 47.974 3.728 1.00 42.86 C ATOM 417 O GLY A1900 62.822 48.026 4.020 1.00 36.80 O ATOM 418 H GLY A1900 66.336 49.890 4.475 1.00 0.00 H ATOM 419 N TYR A1901 64.788 46.866 3.894 1.00 36.85 N ATOM 420 CA TYR A1901 64.146 45.568 4.099 1.00 33.23 C ATOM 421 C TYR A1901 63.286 45.525 5.348 1.00 32.26 C ATOM 422 O TYR A1901 62.131 45.045 5.316 1.00 31.04 O ATOM 423 CB TYR A1901 65.171 44.403 4.153 1.00 34.58 C ATOM 424 CG TYR A1901 64.516 43.130 3.708 1.00 29.01 C ATOM 425 CD1 TYR A1901 64.435 42.803 2.346 1.00 31.14 C ATOM 426 CD2 TYR A1901 63.912 42.274 4.633 1.00 31.78 C ATOM 427 CE1 TYR A1901 63.807 41.609 1.934 1.00 28.79 C ATOM 428 CE2 TYR A1901 63.282 41.104 4.228 1.00 32.03 C ATOM 429 CZ TYR A1901 63.211 40.773 2.892 1.00 30.53 C ATOM 430 OH TYR A1901 62.540 39.612 2.478 1.00 27.76 O ATOM 431 HH TYR A1901 62.591 39.537 1.492 1.00 0.00 H ATOM 432 H TYR A1901 65.826 46.936 3.876 1.00 0.00 H ATOM 433 N LYS A1902 63.856 46.049 6.431 1.00 34.26 N ATOM 434 CA LYS A1902 63.165 46.011 7.716 1.00 38.57 C ATOM 435 C LYS A1902 61.814 46.726 7.651 1.00 39.36 C ATOM 436 O LYS A1902 60.803 46.186 8.123 1.00 37.21 O ATOM 437 CB LYS A1902 64.014 46.580 8.858 1.00 38.69 C ATOM 438 CG LYS A1902 63.486 46.116 10.219 1.00 40.97 C ATOM 439 CD LYS A1902 64.406 46.411 11.385 1.00 48.12 C ATOM 440 CE LYS A1902 63.687 46.125 12.704 1.00 53.26 C ATOM 441 NZ LYS A1902 64.447 46.594 13.897 1.00 50.08 N ATOM 442 HZ1 LYS A1902 65.369 46.114 13.930 1.00 0.00 H ATOM 443 HZ2 LYS A1902 64.591 47.622 13.832 1.00 0.00 H ATOM 444 HZ3 LYS A1902 63.909 46.372 14.759 1.00 0.00 H ATOM 445 H LYS A1902 64.797 46.487 6.361 1.00 0.00 H ATOM 446 N LYS A1903 61.789 47.908 7.048 1.00 37.76 N ATOM 447 CA LYS A1903 60.555 48.707 7.047 1.00 38.03 C ATOM 448 C LYS A1903 59.512 48.148 6.103 1.00 33.91 C ATOM 449 O LYS A1903 58.319 48.225 6.358 1.00 41.68 O ATOM 450 CB LYS A1903 60.869 50.184 6.714 1.00 37.98 C ATOM 451 CG LYS A1903 59.678 51.130 6.795 1.00 42.30 C ATOM 452 CD LYS A1903 59.074 51.187 8.196 1.00 43.67 C ATOM 453 CE LYS A1903 57.979 52.239 8.345 1.00 44.32 C ATOM 454 NZ LYS A1903 58.493 53.586 8.245 1.00 49.86 N ATOM 455 HZ1 LYS A1903 59.196 53.744 8.995 1.00 0.00 H ATOM 456 HZ2 LYS A1903 58.941 53.717 7.316 1.00 0.00 H ATOM 457 HZ3 LYS A1903 57.711 54.263 8.353 1.00 0.00 H ATOM 458 H LYS A1903 62.643 48.269 6.576 1.00 0.00 H ATOM 459 N VAL A1904 59.961 47.671 4.956 1.00 33.64 N ATOM 460 CA VAL A1904 59.091 47.241 3.894 1.00 33.63 C ATOM 461 C VAL A1904 58.501 45.860 4.120 1.00 31.80 C ATOM 462 O VAL A1904 57.306 45.650 3.897 1.00 30.55 O ATOM 463 CB VAL A1904 59.861 47.273 2.528 1.00 33.25 C ATOM 464 CG1 VAL A1904 59.014 46.680 1.386 1.00 37.02 C ATOM 465 CG2 VAL A1904 60.278 48.716 2.201 1.00 35.51 C ATOM 466 H VAL A1904 60.989 47.603 4.814 1.00 0.00 H ATOM 467 N ILE A1905 59.322 44.923 4.572 1.00 31.45 N ATOM 468 CA ILE A1905 58.897 43.496 4.641 1.00 32.12 C ATOM 469 C ILE A1905 58.476 43.203 6.072 1.00 30.33 C ATOM 470 O ILE A1905 59.310 43.075 6.969 1.00 30.58 O ATOM 471 CB ILE A1905 59.999 42.552 4.179 1.00 33.31 C ATOM 472 CG1 ILE A1905 60.425 42.893 2.754 1.00 31.27 C ATOM 473 CG2 ILE A1905 59.543 41.071 4.318 1.00 28.90 C ATOM 474 CD1 ILE A1905 59.330 42.734 1.697 1.00 30.77 C ATOM 475 H ILE A1905 60.278 45.188 4.884 1.00 0.00 H ATOM 476 N LYS A1906 57.167 43.161 6.277 1.00 30.47 N ATOM 477 CA LYS A1906 56.634 43.091 7.608 1.00 39.54 C ATOM 478 C LYS A1906 56.854 41.739 8.276 1.00 35.34 C ATOM 479 O LYS A1906 56.875 41.676 9.480 1.00 33.22 O ATOM 480 CB LYS A1906 55.135 43.418 7.611 1.00 45.79 C ATOM 481 CG LYS A1906 54.789 44.822 7.097 1.00 51.09 C ATOM 482 CD LYS A1906 55.644 45.913 7.711 1.00 49.68 C ATOM 483 CE LYS A1906 55.434 47.211 6.965 1.00 54.39 C ATOM 484 NZ LYS A1906 55.917 48.355 7.778 1.00 57.81 N ATOM 485 HZ1 LYS A1906 55.391 48.388 8.674 1.00 0.00 H ATOM 486 HZ2 LYS A1906 56.931 48.235 7.974 1.00 0.00 H ATOM 487 HZ3 LYS A1906 55.766 49.240 7.253 1.00 0.00 H ATOM 488 H LYS A1906 56.519 43.179 5.464 1.00 0.00 H ATOM 489 N LYS A1907 56.971 40.686 7.485 1.00 31.81 N ATOM 490 CA LYS A1907 57.116 39.316 7.989 1.00 29.01 C ATOM 491 C LYS A1907 58.212 38.619 7.218 1.00 24.71 C ATOM 492 O LYS A1907 57.952 37.901 6.243 1.00 24.62 O ATOM 493 CB LYS A1907 55.812 38.581 7.852 1.00 31.50 C ATOM 494 CG LYS A1907 54.735 39.123 8.807 1.00 45.49 C ATOM 495 CD LYS A1907 53.416 38.365 8.691 1.00 69.38 C ATOM 496 CE LYS A1907 53.546 36.877 9.040 1.00 81.47 C ATOM 497 NZ LYS A1907 52.266 36.128 8.875 1.00 87.41 N ATOM 498 HZ1 LYS A1907 51.543 36.538 9.499 1.00 0.00 H ATOM 499 HZ2 LYS A1907 51.951 36.196 7.886 1.00 0.00 H ATOM 500 HZ3 LYS A1907 52.415 35.130 9.125 1.00 0.00 H ATOM 501 H LYS A1907 56.960 40.836 6.456 1.00 0.00 H ATOM 502 N PRO A1908 59.467 38.895 7.587 1.00 25.01 N ATOM 503 CA PRO A1908 60.565 38.182 6.918 1.00 28.46 C ATOM 504 C PRO A1908 60.470 36.673 7.151 1.00 33.21 C ATOM 505 O PRO A1908 59.979 36.209 8.212 1.00 23.48 O ATOM 506 CB PRO A1908 61.825 38.773 7.597 1.00 25.60 C ATOM 507 CG PRO A1908 61.385 40.118 8.059 1.00 35.31 C ATOM 508 CD PRO A1908 59.970 39.902 8.532 1.00 27.65 C ATOM 509 N MET A1909 60.857 35.915 6.132 1.00 22.69 N ATOM 510 CA MET A1909 60.918 34.438 6.232 1.00 21.11 C ATOM 511 C MET A1909 62.032 33.928 5.316 1.00 25.49 C ATOM 512 O MET A1909 62.339 34.559 4.279 1.00 20.69 O ATOM 513 CB MET A1909 59.531 33.834 5.936 1.00 19.55 C ATOM 514 CG MET A1909 59.393 32.328 6.233 1.00 23.80 C ATOM 515 SD MET A1909 59.931 31.854 7.922 1.00 24.20 S ATOM 516 CE MET A1909 58.911 32.933 8.906 1.00 28.92 C ATOM 517 H MET A1909 61.125 36.372 5.237 1.00 0.00 H ATOM 518 N ASP A1910 62.629 32.805 5.711 1.00 20.77 N ATOM 519 CA ASP A1910 63.723 32.176 5.006 1.00 21.35 C ATOM 520 C ASP A1910 63.699 30.681 5.310 1.00 22.49 C ATOM 521 O ASP A1910 63.094 30.243 6.311 1.00 21.90 O ATOM 522 CB ASP A1910 65.055 32.765 5.397 1.00 19.75 C ATOM 523 CG ASP A1910 65.444 32.409 6.807 1.00 24.47 C ATOM 524 OD1 ASP A1910 64.902 33.046 7.715 1.00 23.13 O ATOM 525 OD2 ASP A1910 66.273 31.524 6.962 1.00 26.18 O ATOM 526 H ASP A1910 62.286 32.352 6.582 1.00 0.00 H ATOM 527 N PHE A1911 64.414 29.904 4.505 1.00 18.60 N ATOM 528 CA PHE A1911 64.462 28.439 4.679 1.00 20.95 C ATOM 529 C PHE A1911 64.980 27.965 6.030 1.00 23.48 C ATOM 530 O PHE A1911 64.432 27.006 6.567 1.00 23.78 O ATOM 531 CB PHE A1911 65.193 27.712 3.583 1.00 21.26 C ATOM 532 CG PHE A1911 64.605 27.906 2.189 1.00 20.65 C ATOM 533 CD1 PHE A1911 63.314 28.396 1.982 1.00 24.48 C ATOM 534 CD2 PHE A1911 65.356 27.557 1.089 1.00 28.02 C ATOM 535 CE1 PHE A1911 62.821 28.576 0.672 1.00 22.74 C ATOM 536 CE2 PHE A1911 64.866 27.734 -0.195 1.00 25.06 C ATOM 537 CZ PHE A1911 63.604 28.257 -0.393 1.00 27.89 C ATOM 538 H PHE A1911 64.955 30.339 3.731 1.00 0.00 H ATOM 539 N SER A1912 66.049 28.546 6.527 1.00 20.81 N ATOM 540 CA SER A1912 66.585 28.170 7.846 1.00 25.54 C ATOM 541 C SER A1912 65.569 28.374 8.983 1.00 26.80 C ATOM 542 O SER A1912 65.515 27.577 9.923 1.00 26.69 O ATOM 543 CB SER A1912 67.922 28.903 8.168 1.00 25.88 C ATOM 544 OG SER A1912 67.706 30.302 8.444 1.00 26.51 O ATOM 545 HG SER A1912 67.294 30.733 7.654 1.00 0.00 H ATOM 546 H SER A1912 66.527 29.288 5.977 1.00 0.00 H ATOM 547 N THR A1913 64.777 29.433 8.878 1.00 24.37 N ATOM 548 CA THR A1913 63.782 29.767 9.874 1.00 24.59 C ATOM 549 C THR A1913 62.649 28.766 9.779 1.00 28.03 C ATOM 550 O THR A1913 62.228 28.202 10.781 1.00 24.77 O ATOM 551 CB THR A1913 63.276 31.221 9.737 1.00 25.69 C ATOM 552 OG1 THR A1913 64.367 32.136 9.992 1.00 25.08 O ATOM 553 CG2 THR A1913 62.154 31.479 10.772 1.00 24.48 C ATOM 554 HG1 THR A1913 64.043 33.067 9.904 1.00 0.00 H ATOM 555 H THR A1913 64.875 30.049 8.045 1.00 0.00 H ATOM 556 N ILE A1914 62.252 28.411 8.568 1.00 19.88 N ATOM 557 CA ILE A1914 61.264 27.354 8.382 1.00 20.60 C ATOM 558 C ILE A1914 61.761 26.005 8.867 1.00 23.49 C ATOM 559 O ILE A1914 61.015 25.283 9.542 1.00 28.05 O ATOM 560 CB ILE A1914 60.869 27.231 6.889 1.00 19.01 C ATOM 561 CG1 ILE A1914 60.234 28.525 6.404 1.00 17.22 C ATOM 562 CG2 ILE A1914 59.946 26.047 6.630 1.00 22.08 C ATOM 563 CD1 ILE A1914 60.018 28.600 4.892 1.00 23.04 C ATOM 564 H ILE A1914 62.650 28.892 7.737 1.00 0.00 H ATOM 565 N ARG A1915 63.020 25.668 8.591 1.00 23.79 N ATOM 566 CA ARG A1915 63.590 24.411 9.085 1.00 23.37 C ATOM 567 C ARG A1915 63.521 24.371 10.631 1.00 28.77 C ATOM 568 O ARG A1915 63.146 23.357 11.237 1.00 27.40 O ATOM 569 CB ARG A1915 65.005 24.223 8.617 1.00 26.55 C ATOM 570 CG ARG A1915 65.816 23.072 9.228 1.00 31.64 C ATOM 571 CD ARG A1915 65.225 21.736 8.765 1.00 34.23 C ATOM 572 NE ARG A1915 65.417 21.426 7.342 1.00 31.40 N ATOM 573 CZ ARG A1915 64.808 20.427 6.696 1.00 37.77 C ATOM 574 NH1 ARG A1915 63.958 19.640 7.333 1.00 36.08 N ATOM 575 NH2 ARG A1915 65.038 20.194 5.411 1.00 36.20 N ATOM 576 HE ARG A1915 66.072 22.025 6.800 1.00 0.00 H ATOM 577 HH12 ARG A1915 63.487 18.864 6.825 1.00 0.00 H ATOM 578 HH11 ARG A1915 63.760 19.797 8.342 1.00 0.00 H ATOM 579 HH22 ARG A1915 64.552 19.411 4.929 1.00 0.00 H ATOM 580 HH21 ARG A1915 65.704 20.795 4.885 1.00 0.00 H ATOM 581 H ARG A1915 63.607 26.306 8.017 1.00 0.00 H ATOM 582 N GLU A1916 63.868 25.458 11.269 1.00 27.24 N ATOM 583 CA GLU A1916 63.844 25.491 12.742 1.00 27.16 C ATOM 584 C GLU A1916 62.412 25.382 13.342 1.00 30.54 C ATOM 585 O GLU A1916 62.186 24.742 14.378 1.00 32.46 O ATOM 586 CB GLU A1916 64.497 26.749 13.194 1.00 26.59 C ATOM 587 CG GLU A1916 64.638 26.875 14.703 1.00 37.70 C ATOM 588 CD GLU A1916 65.579 25.845 15.332 1.00 43.39 C ATOM 589 OE1 GLU A1916 66.539 25.385 14.675 1.00 43.27 O ATOM 590 OE2 GLU A1916 65.332 25.481 16.500 1.00 47.30 O ATOM 591 H GLU A1916 64.162 26.301 10.736 1.00 0.00 H ATOM 592 N LYS A1917 61.468 26.066 12.708 1.00 27.97 N ATOM 593 CA LYS A1917 60.077 25.992 13.106 1.00 30.52 C ATOM 594 C LYS A1917 59.550 24.553 12.912 1.00 31.16 C ATOM 595 O LYS A1917 58.864 24.009 13.770 1.00 30.31 O ATOM 596 CB LYS A1917 59.280 26.992 12.302 1.00 23.82 C ATOM 597 CG LYS A1917 59.501 28.444 12.703 1.00 27.78 C ATOM 598 CD LYS A1917 58.612 29.395 11.892 1.00 25.46 C ATOM 599 CE LYS A1917 57.144 29.260 12.159 1.00 30.36 C ATOM 600 NZ LYS A1917 56.487 30.448 11.577 1.00 29.18 N ATOM 601 HZ1 LYS A1917 56.865 31.307 12.026 1.00 0.00 H ATOM 602 HZ2 LYS A1917 56.673 30.480 10.554 1.00 0.00 H ATOM 603 HZ3 LYS A1917 55.462 30.391 11.742 1.00 0.00 H ATOM 604 H LYS A1917 61.734 26.671 11.905 1.00 0.00 H ATOM 605 N LEU A1918 59.896 23.938 11.793 1.00 25.41 N ATOM 606 CA LEU A1918 59.522 22.557 11.504 1.00 32.71 C ATOM 607 C LEU A1918 60.074 21.572 12.532 1.00 37.12 C ATOM 608 O LEU A1918 59.317 20.817 13.109 1.00 38.83 O ATOM 609 CB LEU A1918 59.927 22.154 10.079 1.00 31.04 C ATOM 610 CG LEU A1918 59.295 20.890 9.450 1.00 26.92 C ATOM 611 CD1 LEU A1918 57.795 20.972 9.319 1.00 28.15 C ATOM 612 CD2 LEU A1918 59.880 20.628 8.068 1.00 32.50 C ATOM 613 H LEU A1918 60.458 24.460 11.090 1.00 0.00 H ATOM 614 N SER A1919 61.375 21.635 12.781 1.00 31.93 N ATOM 615 CA SER A1919 62.081 20.760 13.673 1.00 31.11 C ATOM 616 C SER A1919 61.648 20.913 15.133 1.00 31.66 C ATOM 617 O SER A1919 62.019 20.083 15.964 1.00 32.86 O ATOM 618 CB SER A1919 63.613 21.035 13.609 1.00 33.68 C ATOM 619 OG SER A1919 64.201 20.569 12.402 1.00 36.68 O ATOM 620 HG SER A1919 65.171 20.767 12.411 1.00 0.00 H ATOM 621 H SER A1919 61.924 22.372 12.294 1.00 0.00 H ATOM 622 N SER A1920 60.942 21.995 15.455 1.00 30.93 N ATOM 623 CA SER A1920 60.590 22.302 16.854 1.00 34.36 C ATOM 624 C SER A1920 59.078 22.341 17.060 1.00 32.67 C ATOM 625 O SER A1920 58.610 22.873 18.067 1.00 33.35 O ATOM 626 CB SER A1920 61.217 23.632 17.284 1.00 33.74 C ATOM 627 OG SER A1920 60.803 24.698 16.436 1.00 29.95 O ATOM 628 HG SER A1920 61.081 24.505 15.506 1.00 0.00 H ATOM 629 H SER A1920 60.631 22.640 14.701 1.00 0.00 H ATOM 630 N GLY A1921 58.308 21.812 16.088 1.00 30.04 N ATOM 631 CA GLY A1921 56.853 21.574 16.291 1.00 28.35 C ATOM 632 C GLY A1921 56.065 22.872 16.293 1.00 29.04 C ATOM 633 O GLY A1921 55.021 22.996 16.919 1.00 30.01 O ATOM 634 H GLY A1921 58.741 21.565 15.175 1.00 0.00 H ATOM 635 N GLN A1922 56.577 23.870 15.605 1.00 24.06 N ATOM 636 CA GLN A1922 55.882 25.158 15.484 1.00 27.55 C ATOM 637 C GLN A1922 54.925 25.316 14.282 1.00 31.54 C ATOM 638 O GLN A1922 54.269 26.360 14.147 1.00 31.67 O ATOM 639 CB GLN A1922 56.910 26.282 15.448 1.00 30.48 C ATOM 640 CG GLN A1922 57.624 26.446 16.786 1.00 30.70 C ATOM 641 CD GLN A1922 58.606 27.584 16.731 1.00 41.51 C ATOM 642 OE1 GLN A1922 58.208 28.736 16.639 1.00 37.95 O ATOM 643 NE2 GLN A1922 59.890 27.264 16.718 1.00 35.83 N ATOM 644 HE22 GLN A1922 60.179 26.268 16.799 1.00 0.00 H ATOM 645 HE21 GLN A1922 60.611 28.008 16.626 1.00 0.00 H ATOM 646 H GLN A1922 57.496 23.744 15.135 1.00 0.00 H ATOM 647 N TYR A1923 54.848 24.303 13.426 1.00 28.02 N ATOM 648 CA TYR A1923 53.740 24.209 12.430 1.00 29.23 C ATOM 649 C TYR A1923 52.625 23.259 12.883 1.00 31.91 C ATOM 650 O TYR A1923 52.861 22.050 13.041 1.00 27.97 O ATOM 651 CB TYR A1923 54.269 23.766 11.060 1.00 25.88 C ATOM 652 CG TYR A1923 55.219 24.796 10.476 1.00 22.49 C ATOM 653 CD1 TYR A1923 54.782 26.071 10.173 1.00 26.38 C ATOM 654 CD2 TYR A1923 56.532 24.486 10.197 1.00 24.90 C ATOM 655 CE1 TYR A1923 55.652 27.036 9.660 1.00 24.55 C ATOM 656 CE2 TYR A1923 57.408 25.441 9.700 1.00 23.26 C ATOM 657 CZ TYR A1923 56.948 26.707 9.410 1.00 23.30 C ATOM 658 OH TYR A1923 57.826 27.671 8.943 1.00 22.79 O ATOM 659 HH TYR A1923 57.334 28.516 8.787 1.00 0.00 H ATOM 660 H TYR A1923 55.575 23.560 13.450 1.00 0.00 H ATOM 661 N PRO A1924 51.431 23.804 13.163 1.00 28.43 N ATOM 662 CA PRO A1924 50.308 22.999 13.598 1.00 32.85 C ATOM 663 C PRO A1924 49.854 22.023 12.522 1.00 37.38 C ATOM 664 O PRO A1924 49.306 20.985 12.849 1.00 33.74 O ATOM 665 CB PRO A1924 49.186 24.021 13.841 1.00 40.46 C ATOM 666 CG PRO A1924 49.815 25.347 13.837 1.00 41.38 C ATOM 667 CD PRO A1924 51.149 25.250 13.211 1.00 36.62 C ATOM 668 N ASN A1925 50.080 22.355 11.253 1.00 29.92 N ATOM 669 CA ASN A1925 49.621 21.502 10.176 1.00 33.91 C ATOM 670 C ASN A1925 50.334 21.867 8.880 1.00 31.82 C ATOM 671 O ASN A1925 51.079 22.855 8.817 1.00 29.12 O ATOM 672 CB ASN A1925 48.093 21.674 10.026 1.00 31.34 C ATOM 673 CG ASN A1925 47.732 23.104 9.681 1.00 34.97 C ATOM 674 OD1 ASN A1925 48.293 23.704 8.734 1.00 33.69 O ATOM 675 ND2 ASN A1925 46.843 23.679 10.468 1.00 35.60 N ATOM 676 HD22 ASN A1925 46.405 23.138 11.241 1.00 0.00 H ATOM 677 HD21 ASN A1925 46.580 24.674 10.316 1.00 0.00 H ATOM 678 H ASN A1925 50.590 23.234 11.033 1.00 0.00 H ATOM 679 N LEU A1926 50.137 21.061 7.835 1.00 34.42 N ATOM 680 CA LEU A1926 50.938 21.247 6.595 1.00 34.58 C ATOM 681 C LEU A1926 50.615 22.609 5.928 1.00 30.83 C ATOM 682 O LEU A1926 51.460 23.212 5.258 1.00 29.02 O ATOM 683 CB LEU A1926 50.799 20.005 5.668 1.00 39.17 C ATOM 684 CG LEU A1926 49.532 19.954 4.832 1.00 41.76 C ATOM 685 CD1 LEU A1926 49.613 18.890 3.729 1.00 45.85 C ATOM 686 CD2 LEU A1926 48.324 19.681 5.687 1.00 48.08 C ATOM 687 H LEU A1926 49.425 20.305 7.887 1.00 0.00 H ATOM 688 N GLU A1927 49.397 23.124 6.113 1.00 30.92 N ATOM 689 CA GLU A1927 49.049 24.415 5.508 1.00 28.82 C ATOM 690 C GLU A1927 49.828 25.606 6.095 1.00 35.18 C ATOM 691 O GLU A1927 50.187 26.545 5.374 1.00 26.88 O ATOM 692 CB GLU A1927 47.569 24.665 5.620 1.00 33.76 C ATOM 693 CG GLU A1927 46.723 23.577 4.938 1.00 54.06 C ATOM 694 CD GLU A1927 47.077 23.372 3.443 1.00 56.75 C ATOM 695 OE1 GLU A1927 47.666 24.282 2.797 1.00 48.91 O ATOM 696 OE2 GLU A1927 46.772 22.284 2.909 1.00 47.35 O ATOM 697 H GLU A1927 48.696 22.611 6.685 1.00 0.00 H ATOM 698 N THR A1928 50.106 25.579 7.407 1.00 25.58 N ATOM 699 CA THR A1928 50.869 26.658 7.981 1.00 23.27 C ATOM 700 C THR A1928 52.283 26.579 7.460 1.00 23.30 C ATOM 701 O THR A1928 52.938 27.603 7.328 1.00 22.08 O ATOM 702 CB THR A1928 50.883 26.597 9.511 1.00 24.43 C ATOM 703 OG1 THR A1928 51.343 25.311 9.938 1.00 24.21 O ATOM 704 CG2 THR A1928 49.449 26.831 10.042 1.00 25.96 C ATOM 705 HG1 THR A1928 50.737 24.612 9.587 1.00 0.00 H ATOM 706 H THR A1928 49.776 24.791 8.001 1.00 0.00 H ATOM 707 N PHE A1929 52.779 25.362 7.212 1.00 20.90 N ATOM 708 CA PHE A1929 54.112 25.205 6.572 1.00 23.36 C ATOM 709 C PHE A1929 54.125 25.845 5.162 1.00 25.25 C ATOM 710 O PHE A1929 54.982 26.680 4.851 1.00 21.93 O ATOM 711 CB PHE A1929 54.469 23.726 6.529 1.00 24.13 C ATOM 712 CG PHE A1929 55.665 23.407 5.674 1.00 19.47 C ATOM 713 CD1 PHE A1929 56.958 23.584 6.171 1.00 21.73 C ATOM 714 CD2 PHE A1929 55.504 22.959 4.375 1.00 23.34 C ATOM 715 CE1 PHE A1929 58.038 23.314 5.347 1.00 21.32 C ATOM 716 CE2 PHE A1929 56.589 22.640 3.572 1.00 25.99 C ATOM 717 CZ PHE A1929 57.865 22.835 4.065 1.00 22.41 C ATOM 718 H PHE A1929 52.228 24.518 7.469 1.00 0.00 H ATOM 719 N ALA A1930 53.148 25.505 4.330 1.00 23.34 N ATOM 720 CA ALA A1930 53.102 26.058 2.957 1.00 24.19 C ATOM 721 C ALA A1930 52.975 27.610 2.956 1.00 23.15 C ATOM 722 O ALA A1930 53.514 28.268 2.047 1.00 24.11 O ATOM 723 CB ALA A1930 51.952 25.417 2.202 1.00 25.08 C ATOM 724 H ALA A1930 52.409 24.845 4.645 1.00 0.00 H ATOM 725 N LEU A1931 52.225 28.172 3.917 1.00 23.14 N ATOM 726 CA LEU A1931 52.075 29.630 4.070 1.00 25.14 C ATOM 727 C LEU A1931 53.438 30.279 4.280 1.00 28.00 C ATOM 728 O LEU A1931 53.747 31.282 3.637 1.00 23.93 O ATOM 729 CB LEU A1931 51.121 30.032 5.223 1.00 26.98 C ATOM 730 CG LEU A1931 49.601 29.836 4.991 1.00 38.56 C ATOM 731 CD1 LEU A1931 48.739 30.182 6.218 1.00 41.81 C ATOM 732 CD2 LEU A1931 49.133 30.630 3.765 1.00 44.75 C ATOM 733 H LEU A1931 51.727 27.550 4.585 1.00 0.00 H ATOM 734 N ASP A1932 54.283 29.682 5.118 1.00 22.83 N ATOM 735 CA ASP A1932 55.636 30.232 5.325 1.00 22.06 C ATOM 736 C ASP A1932 56.533 30.091 4.108 1.00 22.47 C ATOM 737 O ASP A1932 57.295 31.009 3.814 1.00 22.59 O ATOM 738 CB ASP A1932 56.341 29.631 6.541 1.00 22.35 C ATOM 739 CG ASP A1932 56.179 30.451 7.834 1.00 25.78 C ATOM 740 OD1 ASP A1932 55.555 31.561 7.832 1.00 28.49 O ATOM 741 OD2 ASP A1932 56.716 29.961 8.881 1.00 24.18 O ATOM 742 H ASP A1932 53.988 28.825 5.628 1.00 0.00 H ATOM 743 N VAL A1933 56.521 28.929 3.435 1.00 18.79 N ATOM 744 CA VAL A1933 57.247 28.801 2.174 1.00 20.40 C ATOM 745 C VAL A1933 56.816 29.908 1.169 1.00 19.85 C ATOM 746 O VAL A1933 57.672 30.577 0.567 1.00 23.84 O ATOM 747 CB VAL A1933 57.139 27.393 1.557 1.00 20.08 C ATOM 748 CG1 VAL A1933 57.880 27.265 0.242 1.00 23.31 C ATOM 749 CG2 VAL A1933 57.669 26.319 2.501 1.00 24.38 C ATOM 750 H VAL A1933 55.993 28.117 3.813 1.00 0.00 H ATOM 751 N ARG A1934 55.510 30.089 0.974 1.00 22.09 N ATOM 752 CA ARG A1934 54.998 31.044 -0.006 1.00 20.96 C ATOM 753 C ARG A1934 55.393 32.469 0.421 1.00 22.92 C ATOM 754 O ARG A1934 55.681 33.310 -0.453 1.00 21.32 O ATOM 755 CB ARG A1934 53.466 30.920 -0.187 1.00 22.28 C ATOM 756 CG ARG A1934 53.132 29.595 -0.876 1.00 25.22 C ATOM 757 CD ARG A1934 51.648 29.266 -0.878 1.00 24.72 C ATOM 758 NE ARG A1934 51.478 27.967 -1.532 1.00 29.09 N ATOM 759 CZ ARG A1934 50.565 27.056 -1.207 1.00 29.34 C ATOM 760 NH1 ARG A1934 49.667 27.289 -0.233 1.00 29.06 N ATOM 761 NH2 ARG A1934 50.577 25.882 -1.835 1.00 35.80 N ATOM 762 HE ARG A1934 52.124 27.738 -2.314 1.00 0.00 H ATOM 763 HH12 ARG A1934 48.961 26.565 0.007 1.00 0.00 H ATOM 764 HH11 ARG A1934 49.679 28.194 0.280 1.00 0.00 H ATOM 765 HH22 ARG A1934 49.871 25.157 -1.595 1.00 0.00 H ATOM 766 HH21 ARG A1934 51.292 25.690 -2.566 1.00 0.00 H ATOM 767 H ARG A1934 54.835 29.533 1.537 1.00 0.00 H ATOM 768 N LEU A1935 55.459 32.707 1.741 1.00 21.07 N ATOM 769 CA LEU A1935 55.845 34.015 2.280 1.00 20.84 C ATOM 770 C LEU A1935 57.255 34.378 1.836 1.00 24.86 C ATOM 771 O LEU A1935 57.521 35.540 1.521 1.00 23.27 O ATOM 772 CB LEU A1935 55.743 34.053 3.805 1.00 22.58 C ATOM 773 CG LEU A1935 56.225 35.251 4.586 1.00 25.08 C ATOM 774 CD1 LEU A1935 55.463 36.514 4.137 1.00 29.95 C ATOM 775 CD2 LEU A1935 55.987 35.001 6.092 1.00 23.16 C ATOM 776 H LEU A1935 55.229 31.938 2.403 1.00 0.00 H ATOM 777 N VAL A1936 58.152 33.407 1.820 1.00 22.85 N ATOM 778 CA VAL A1936 59.503 33.632 1.293 1.00 19.07 C ATOM 779 C VAL A1936 59.422 34.210 -0.125 1.00 26.01 C ATOM 780 O VAL A1936 60.059 35.228 -0.445 1.00 23.22 O ATOM 781 CB VAL A1936 60.376 32.341 1.277 1.00 18.84 C ATOM 782 CG1 VAL A1936 61.745 32.648 0.665 1.00 21.88 C ATOM 783 CG2 VAL A1936 60.586 31.782 2.681 1.00 19.60 C ATOM 784 H VAL A1936 57.896 32.468 2.187 1.00 0.00 H ATOM 785 N PHE A1937 58.585 33.614 -0.956 1.00 22.88 N ATOM 786 CA PHE A1937 58.555 34.032 -2.374 1.00 21.67 C ATOM 787 C PHE A1937 57.776 35.336 -2.608 1.00 22.54 C ATOM 788 O PHE A1937 58.158 36.147 -3.452 1.00 24.22 O ATOM 789 CB PHE A1937 58.072 32.881 -3.255 1.00 25.54 C ATOM 790 CG PHE A1937 58.844 31.627 -3.027 1.00 21.79 C ATOM 791 CD1 PHE A1937 60.245 31.687 -2.953 1.00 22.98 C ATOM 792 CD2 PHE A1937 58.206 30.428 -2.832 1.00 23.17 C ATOM 793 CE1 PHE A1937 60.983 30.566 -2.685 1.00 30.30 C ATOM 794 CE2 PHE A1937 58.957 29.267 -2.566 1.00 26.67 C ATOM 795 CZ PHE A1937 60.350 29.353 -2.482 1.00 24.63 C ATOM 796 H PHE A1937 57.955 32.860 -0.617 1.00 0.00 H ATOM 797 N ASP A1938 56.716 35.531 -1.842 1.00 24.35 N ATOM 798 CA ASP A1938 55.953 36.770 -1.807 1.00 28.85 C ATOM 799 C ASP A1938 56.821 37.944 -1.372 1.00 30.62 C ATOM 800 O ASP A1938 56.807 38.974 -2.040 1.00 29.03 O ATOM 801 CB ASP A1938 54.778 36.602 -0.880 1.00 29.16 C ATOM 802 CG ASP A1938 53.708 35.683 -1.465 1.00 32.06 C ATOM 803 OD1 ASP A1938 53.773 35.337 -2.669 1.00 28.13 O ATOM 804 OD2 ASP A1938 52.778 35.329 -0.723 1.00 27.98 O ATOM 805 H ASP A1938 56.409 34.751 -1.227 1.00 0.00 H ATOM 806 N ASN A1939 57.632 37.764 -0.319 1.00 28.54 N ATOM 807 CA ASN A1939 58.580 38.784 0.070 1.00 30.50 C ATOM 808 C ASN A1939 59.561 39.085 -1.038 1.00 29.46 C ATOM 809 O ASN A1939 59.872 40.248 -1.317 1.00 24.75 O ATOM 810 CB ASN A1939 59.360 38.380 1.319 1.00 21.62 C ATOM 811 CG ASN A1939 58.478 38.356 2.575 1.00 27.42 C ATOM 812 OD1 ASN A1939 57.350 38.890 2.582 1.00 27.03 O ATOM 813 ND2 ASN A1939 58.989 37.744 3.631 1.00 23.86 N ATOM 814 HD22 ASN A1939 59.934 37.314 3.576 1.00 0.00 H ATOM 815 HD21 ASN A1939 58.445 37.693 4.516 1.00 0.00 H ATOM 816 H ASN A1939 57.578 36.879 0.225 1.00 0.00 H ATOM 817 N CYS A1940 60.045 38.039 -1.691 1.00 24.04 N ATOM 818 CA CYS A1940 61.073 38.220 -2.696 1.00 27.34 C ATOM 819 C CYS A1940 60.482 39.067 -3.838 1.00 26.99 C ATOM 820 O CYS A1940 61.155 39.961 -4.371 1.00 29.58 O ATOM 821 CB CYS A1940 61.547 36.864 -3.189 1.00 27.53 C ATOM 822 SG CYS A1940 62.714 36.898 -4.567 1.00 25.94 S ATOM 823 H CYS A1940 59.686 37.086 -1.482 1.00 0.00 H ATOM 824 N GLU A1941 59.217 38.818 -4.195 1.00 28.90 N ATOM 825 CA GLU A1941 58.566 39.622 -5.226 1.00 35.45 C ATOM 826 C GLU A1941 58.316 41.067 -4.840 1.00 36.45 C ATOM 827 O GLU A1941 58.352 41.942 -5.697 1.00 34.36 O ATOM 828 CB GLU A1941 57.226 39.044 -5.654 1.00 37.17 C ATOM 829 CG GLU A1941 57.376 37.840 -6.527 1.00 43.86 C ATOM 830 CD GLU A1941 56.105 37.499 -7.276 1.00 46.39 C ATOM 831 OE1 GLU A1941 55.563 38.406 -7.935 1.00 45.14 O ATOM 832 OE2 GLU A1941 55.699 36.312 -7.238 1.00 40.93 O ATOM 833 H GLU A1941 58.693 38.046 -3.735 1.00 0.00 H ATOM 834 N THR A1942 57.987 41.291 -3.583 1.00 32.55 N ATOM 835 CA THR A1942 57.800 42.623 -3.067 1.00 32.05 C ATOM 836 C THR A1942 59.094 43.468 -3.146 1.00 35.13 C ATOM 837 O THR A1942 59.031 44.652 -3.415 1.00 35.62 O ATOM 838 CB THR A1942 57.253 42.606 -1.619 1.00 31.95 C ATOM 839 OG1 THR A1942 55.959 42.016 -1.630 1.00 34.18 O ATOM 840 CG2 THR A1942 57.074 44.046 -1.106 1.00 35.06 C ATOM 841 HG1 THR A1942 56.022 41.091 -1.978 1.00 0.00 H ATOM 842 H THR A1942 57.858 40.481 -2.944 1.00 0.00 H ATOM 843 N PHE A1943 60.252 42.835 -2.974 1.00 29.37 N ATOM 844 CA PHE A1943 61.490 43.550 -2.842 1.00 30.39 C ATOM 845 C PHE A1943 62.410 43.549 -4.029 1.00 33.71 C ATOM 846 O PHE A1943 63.377 44.357 -4.080 1.00 34.12 O ATOM 847 CB PHE A1943 62.244 43.034 -1.600 1.00 30.68 C ATOM 848 CG PHE A1943 63.203 44.070 -0.976 1.00 29.96 C ATOM 849 CD1 PHE A1943 62.720 45.071 -0.143 1.00 35.90 C ATOM 850 CD2 PHE A1943 64.571 43.989 -1.173 1.00 32.80 C ATOM 851 CE1 PHE A1943 63.561 45.995 0.442 1.00 33.69 C ATOM 852 CE2 PHE A1943 65.424 44.908 -0.602 1.00 38.89 C ATOM 853 CZ PHE A1943 64.918 45.911 0.221 1.00 39.15 C ATOM 854 H PHE A1943 60.260 41.796 -2.934 1.00 0.00 H ATOM 855 N ASN A1944 62.140 42.682 -5.002 1.00 30.34 N ATOM 856 CA ASN A1944 63.115 42.437 -6.049 1.00 33.17 C ATOM 857 C ASN A1944 62.409 42.548 -7.406 1.00 35.98 C ATOM 858 O ASN A1944 61.252 42.140 -7.523 1.00 35.56 O ATOM 859 CB ASN A1944 63.704 41.053 -5.930 1.00 26.72 C ATOM 860 CG ASN A1944 64.595 40.882 -4.726 1.00 30.52 C ATOM 861 OD1 ASN A1944 65.773 41.186 -4.777 1.00 30.10 O ATOM 862 ND2 ASN A1944 64.041 40.340 -3.654 1.00 28.55 N ATOM 863 HD22 ASN A1944 63.030 40.097 -3.658 1.00 0.00 H ATOM 864 HD21 ASN A1944 64.617 40.157 -2.807 1.00 0.00 H ATOM 865 H ASN A1944 61.229 42.180 -5.012 1.00 0.00 H ATOM 866 N GLU A1945 63.101 43.146 -8.363 1.00 34.04 N ATOM 867 CA GLU A1945 62.575 43.235 -9.713 1.00 41.10 C ATOM 868 C GLU A1945 62.547 41.812 -10.293 1.00 39.57 C ATOM 869 O GLU A1945 63.435 40.994 -10.008 1.00 32.95 O ATOM 870 CB GLU A1945 63.413 44.185 -10.560 1.00 43.52 C ATOM 871 CG GLU A1945 63.121 45.659 -10.286 1.00 47.48 C ATOM 872 CD GLU A1945 61.878 46.151 -10.989 1.00 54.02 C ATOM 873 OE1 GLU A1945 61.051 46.820 -10.360 1.00 57.88 O ATOM 874 OE2 GLU A1945 61.723 45.855 -12.182 1.00 64.83 O ATOM 875 H GLU A1945 64.031 43.556 -8.145 1.00 0.00 H ATOM 876 N ASP A1946 61.507 41.521 -11.068 1.00 43.44 N ATOM 877 CA ASP A1946 61.427 40.228 -11.793 1.00 40.86 C ATOM 878 C ASP A1946 62.698 39.980 -12.656 1.00 40.76 C ATOM 879 O ASP A1946 63.208 38.869 -12.760 1.00 43.33 O ATOM 880 CB ASP A1946 60.205 40.230 -12.684 1.00 42.45 C ATOM 881 CG ASP A1946 58.904 40.154 -11.917 1.00 42.56 C ATOM 882 OD1 ASP A1946 58.869 39.765 -10.729 1.00 44.27 O ATOM 883 OD2 ASP A1946 57.880 40.473 -12.529 1.00 43.45 O ATOM 884 H ASP A1946 60.736 42.211 -11.168 1.00 0.00 H ATOM 885 N ASP A1947 63.264 41.034 -13.197 1.00 40.40 N ATOM 886 CA ASP A1947 64.410 40.903 -14.121 1.00 44.62 C ATOM 887 C ASP A1947 65.665 41.195 -13.331 1.00 44.68 C ATOM 888 O ASP A1947 66.398 42.148 -13.610 1.00 56.07 O ATOM 889 CB ASP A1947 64.206 41.839 -15.331 1.00 50.81 C ATOM 890 CG ASP A1947 65.413 41.861 -16.312 1.00 59.79 C ATOM 891 OD1 ASP A1947 66.263 40.925 -16.322 1.00 54.30 O ATOM 892 OD2 ASP A1947 65.526 42.844 -17.074 1.00 69.31 O ATOM 893 H ASP A1947 62.898 41.981 -12.971 1.00 0.00 H ATOM 894 N SER A1948 65.856 40.415 -12.277 1.00 42.81 N ATOM 895 CA SER A1948 67.079 40.408 -11.478 1.00 41.36 C ATOM 896 C SER A1948 67.386 38.968 -11.179 1.00 40.36 C ATOM 897 O SER A1948 66.483 38.122 -11.286 1.00 37.50 O ATOM 898 CB SER A1948 66.883 41.213 -10.191 1.00 43.82 C ATOM 899 OG SER A1948 65.893 40.665 -9.350 1.00 35.86 O ATOM 900 HG SER A1948 65.028 40.646 -9.830 1.00 0.00 H ATOM 901 H SER A1948 65.089 39.769 -12.002 1.00 0.00 H ATOM 902 N ASP A1949 68.619 38.658 -10.781 1.00 37.19 N ATOM 903 CA ASP A1949 68.934 37.276 -10.434 1.00 36.80 C ATOM 904 C ASP A1949 68.051 36.750 -9.310 1.00 35.67 C ATOM 905 O ASP A1949 67.528 35.650 -9.387 1.00 28.71 O ATOM 906 CB ASP A1949 70.420 37.067 -10.128 1.00 36.75 C ATOM 907 CG ASP A1949 71.306 37.251 -11.370 1.00 51.42 C ATOM 908 OD1 ASP A1949 71.643 38.405 -11.639 1.00 54.17 O ATOM 909 OD2 ASP A1949 71.697 36.276 -12.031 1.00 42.75 O ATOM 910 H ASP A1949 69.351 39.394 -10.718 1.00 0.00 H ATOM 911 N ILE A1950 67.878 37.551 -8.268 1.00 30.60 N ATOM 912 CA ILE A1950 67.084 37.154 -7.142 1.00 31.60 C ATOM 913 C ILE A1950 65.601 37.059 -7.472 1.00 30.20 C ATOM 914 O ILE A1950 64.940 36.143 -6.972 1.00 26.55 O ATOM 915 CB ILE A1950 67.345 38.079 -5.935 1.00 30.83 C ATOM 916 CG1 ILE A1950 68.788 37.836 -5.452 1.00 31.93 C ATOM 917 CG2 ILE A1950 66.336 37.800 -4.819 1.00 31.19 C ATOM 918 CD1 ILE A1950 69.281 38.857 -4.443 1.00 37.76 C ATOM 919 H ILE A1950 68.328 38.488 -8.267 1.00 0.00 H ATOM 920 N GLY A1951 65.086 37.976 -8.292 1.00 34.59 N ATOM 921 CA GLY A1951 63.676 37.971 -8.728 1.00 27.85 C ATOM 922 C GLY A1951 63.371 36.699 -9.546 1.00 29.15 C ATOM 923 O GLY A1951 62.377 36.009 -9.284 1.00 29.82 O ATOM 924 H GLY A1951 65.709 38.732 -8.642 1.00 0.00 H ATOM 925 N ARG A1952 64.275 36.338 -10.425 1.00 33.66 N ATOM 926 CA ARG A1952 64.223 35.059 -11.162 1.00 31.54 C ATOM 927 C ARG A1952 64.346 33.822 -10.237 1.00 33.00 C ATOM 928 O ARG A1952 63.625 32.827 -10.402 1.00 30.84 O ATOM 929 CB ARG A1952 65.317 34.969 -12.219 1.00 35.94 C ATOM 930 CG ARG A1952 64.955 35.654 -13.507 1.00 46.45 C ATOM 931 CD ARG A1952 66.005 35.426 -14.595 1.00 45.34 C ATOM 932 NE ARG A1952 67.258 36.124 -14.323 1.00 45.77 N ATOM 933 CZ ARG A1952 67.492 37.414 -14.579 1.00 55.02 C ATOM 934 NH1 ARG A1952 68.690 37.938 -14.301 1.00 52.25 N ATOM 935 NH2 ARG A1952 66.540 38.187 -15.087 1.00 53.39 N ATOM 936 HE ARG A1952 68.030 35.573 -13.896 1.00 0.00 H ATOM 937 HH12 ARG A1952 68.877 38.942 -14.498 1.00 0.00 H ATOM 938 HH11 ARG A1952 69.435 37.342 -13.887 1.00 0.00 H ATOM 939 HH22 ARG A1952 66.734 39.190 -15.282 1.00 0.00 H ATOM 940 HH21 ARG A1952 65.601 37.790 -15.290 1.00 0.00 H ATOM 941 H ARG A1952 65.068 36.984 -10.612 1.00 0.00 H ATOM 942 N ALA A1953 65.288 33.859 -9.300 1.00 27.52 N ATOM 943 CA ALA A1953 65.410 32.782 -8.340 1.00 27.99 C ATOM 944 C ALA A1953 64.112 32.569 -7.610 1.00 26.21 C ATOM 945 O ALA A1953 63.698 31.418 -7.398 1.00 26.80 O ATOM 946 CB ALA A1953 66.540 33.029 -7.367 1.00 25.72 C ATOM 947 H ALA A1953 65.942 34.667 -9.256 1.00 0.00 H ATOM 948 N GLY A1954 63.468 33.646 -7.185 1.00 23.50 N ATOM 949 CA GLY A1954 62.226 33.450 -6.451 1.00 25.26 C ATOM 950 C GLY A1954 61.118 32.826 -7.254 1.00 24.33 C ATOM 951 O GLY A1954 60.415 31.908 -6.795 1.00 25.46 O ATOM 952 H GLY A1954 63.838 34.600 -7.370 1.00 0.00 H ATOM 953 N HIS A1955 60.963 33.284 -8.493 1.00 27.66 N ATOM 954 CA HIS A1955 59.960 32.673 -9.360 1.00 30.69 C ATOM 955 C HIS A1955 60.286 31.183 -9.565 1.00 29.00 C ATOM 956 O HIS A1955 59.392 30.329 -9.469 1.00 28.31 O ATOM 957 CB HIS A1955 59.880 33.433 -10.709 1.00 30.66 C ATOM 958 CG HIS A1955 59.183 34.754 -10.599 1.00 35.92 C ATOM 959 ND1 HIS A1955 57.838 34.860 -10.298 1.00 41.87 N ATOM 960 CD2 HIS A1955 59.635 36.026 -10.717 1.00 40.44 C ATOM 961 CE1 HIS A1955 57.495 36.137 -10.241 1.00 44.40 C ATOM 962 NE2 HIS A1955 58.567 36.865 -10.484 1.00 44.26 N ATOM 963 H HIS A1955 61.550 34.069 -8.840 1.00 0.00 H ATOM 964 N ASN A1956 61.561 30.863 -9.821 1.00 32.22 N ATOM 965 CA ASN A1956 61.963 29.478 -10.087 1.00 31.00 C ATOM 966 C ASN A1956 61.647 28.608 -8.878 1.00 31.62 C ATOM 967 O ASN A1956 61.041 27.543 -9.016 1.00 28.09 O ATOM 968 CB ASN A1956 63.442 29.388 -10.470 1.00 31.94 C ATOM 969 CG ASN A1956 63.745 29.915 -11.878 1.00 32.63 C ATOM 970 OD1 ASN A1956 62.865 30.299 -12.656 1.00 37.23 O ATOM 971 ND2 ASN A1956 65.037 29.949 -12.196 1.00 35.17 N ATOM 972 HD22 ASN A1956 65.749 29.617 -11.515 1.00 0.00 H ATOM 973 HD21 ASN A1956 65.334 30.308 -13.126 1.00 0.00 H ATOM 974 H ASN A1956 62.282 31.613 -9.831 1.00 0.00 H ATOM 975 N MET A1957 61.993 29.090 -7.674 1.00 26.07 N ATOM 976 CA MET A1957 61.804 28.300 -6.465 1.00 26.91 C ATOM 977 C MET A1957 60.313 28.120 -6.126 1.00 26.75 C ATOM 978 O MET A1957 59.918 27.095 -5.613 1.00 28.03 O ATOM 979 CB MET A1957 62.518 28.925 -5.262 1.00 29.03 C ATOM 980 CG MET A1957 64.039 28.926 -5.334 1.00 29.32 C ATOM 981 SD MET A1957 64.843 27.359 -5.589 1.00 36.80 S ATOM 982 CE MET A1957 64.313 26.463 -4.136 1.00 39.01 C ATOM 983 H MET A1957 62.403 30.043 -7.603 1.00 0.00 H ATOM 984 N ARG A1958 59.506 29.109 -6.427 1.00 25.40 N ATOM 985 CA ARG A1958 58.078 28.998 -6.193 1.00 25.85 C ATOM 986 C ARG A1958 57.481 27.902 -7.050 1.00 26.97 C ATOM 987 O ARG A1958 56.757 27.044 -6.534 1.00 28.25 O ATOM 988 CB ARG A1958 57.377 30.311 -6.473 1.00 28.40 C ATOM 989 CG ARG A1958 55.895 30.273 -6.108 1.00 26.73 C ATOM 990 CD ARG A1958 55.112 31.406 -6.737 1.00 28.75 C ATOM 991 NE ARG A1958 55.482 32.717 -6.221 1.00 27.95 N ATOM 992 CZ ARG A1958 55.013 33.254 -5.071 1.00 30.51 C ATOM 993 NH1 ARG A1958 54.152 32.602 -4.268 1.00 31.92 N ATOM 994 NH2 ARG A1958 55.377 34.467 -4.750 1.00 27.77 N ATOM 995 HE ARG A1958 56.156 33.281 -6.777 1.00 0.00 H ATOM 996 HH12 ARG A1958 53.816 33.051 -3.392 1.00 0.00 H ATOM 997 HH11 ARG A1958 53.823 31.649 -4.523 1.00 0.00 H ATOM 998 HH22 ARG A1958 55.028 34.899 -3.871 1.00 0.00 H ATOM 999 HH21 ARG A1958 56.015 35.001 -5.374 1.00 0.00 H ATOM 1000 H ARG A1958 59.894 29.982 -6.838 1.00 0.00 H ATOM 1001 N LYS A1959 57.839 27.921 -8.337 1.00 28.14 N ATOM 1002 CA LYS A1959 57.432 26.885 -9.271 1.00 31.74 C ATOM 1003 C LYS A1959 57.844 25.499 -8.814 1.00 29.63 C ATOM 1004 O LYS A1959 57.031 24.568 -8.816 1.00 28.86 O ATOM 1005 CB LYS A1959 57.987 27.172 -10.657 1.00 31.11 C ATOM 1006 CG LYS A1959 57.423 26.222 -11.702 1.00 48.74 C ATOM 1007 CD LYS A1959 56.013 26.662 -12.082 1.00 67.24 C ATOM 1008 CE LYS A1959 55.461 25.913 -13.289 1.00 94.91 C ATOM 1009 NZ LYS A1959 54.262 26.606 -13.852 1.00100.01 N ATOM 1010 HZ1 LYS A1959 53.520 26.658 -13.125 1.00 0.00 H ATOM 1011 HZ2 LYS A1959 54.526 27.567 -14.149 1.00 0.00 H ATOM 1012 HZ3 LYS A1959 53.908 26.073 -14.672 1.00 0.00 H ATOM 1013 H LYS A1959 58.429 28.704 -8.682 1.00 0.00 H ATOM 1014 N TYR A1960 59.105 25.350 -8.414 1.00 26.16 N ATOM 1015 CA TYR A1960 59.633 24.093 -7.956 1.00 33.53 C ATOM 1016 C TYR A1960 58.868 23.609 -6.698 1.00 35.05 C ATOM 1017 O TYR A1960 58.521 22.411 -6.563 1.00 29.19 O ATOM 1018 CB TYR A1960 61.108 24.327 -7.606 1.00 26.48 C ATOM 1019 CG TYR A1960 61.918 23.125 -7.286 1.00 30.05 C ATOM 1020 CD1 TYR A1960 62.335 22.235 -8.300 1.00 32.47 C ATOM 1021 CD2 TYR A1960 62.366 22.884 -5.985 1.00 31.05 C ATOM 1022 CE1 TYR A1960 63.148 21.144 -8.018 1.00 31.26 C ATOM 1023 CE2 TYR A1960 63.224 21.822 -5.718 1.00 32.45 C ATOM 1024 CZ TYR A1960 63.574 20.934 -6.706 1.00 34.94 C ATOM 1025 OH TYR A1960 64.398 19.861 -6.367 1.00 43.75 O ATOM 1026 HH TYR A1960 65.257 20.205 -6.016 1.00 0.00 H ATOM 1027 H TYR A1960 59.735 26.177 -8.434 1.00 0.00 H ATOM 1028 N PHE A1961 58.595 24.537 -5.794 1.00 24.78 N ATOM 1029 CA PHE A1961 57.860 24.199 -4.572 1.00 23.42 C ATOM 1030 C PHE A1961 56.437 23.702 -4.880 1.00 25.53 C ATOM 1031 O PHE A1961 55.983 22.654 -4.352 1.00 27.58 O ATOM 1032 CB PHE A1961 57.690 25.377 -3.642 1.00 23.46 C ATOM 1033 CG PHE A1961 56.727 25.094 -2.495 1.00 25.03 C ATOM 1034 CD1 PHE A1961 57.030 24.132 -1.547 1.00 26.85 C ATOM 1035 CD2 PHE A1961 55.529 25.797 -2.365 1.00 26.00 C ATOM 1036 CE1 PHE A1961 56.144 23.864 -0.499 1.00 32.86 C ATOM 1037 CE2 PHE A1961 54.640 25.538 -1.307 1.00 26.07 C ATOM 1038 CZ PHE A1961 54.948 24.594 -0.383 1.00 29.50 C ATOM 1039 H PHE A1961 58.906 25.517 -5.953 1.00 0.00 H ATOM 1040 N GLU A1962 55.746 24.462 -5.717 1.00 27.40 N ATOM 1041 CA GLU A1962 54.336 24.206 -5.894 1.00 30.02 C ATOM 1042 C GLU A1962 54.095 22.857 -6.588 1.00 36.17 C ATOM 1043 O GLU A1962 53.048 22.210 -6.341 1.00 30.90 O ATOM 1044 CB GLU A1962 53.692 25.346 -6.623 1.00 30.00 C ATOM 1045 CG GLU A1962 53.632 26.664 -5.867 1.00 26.50 C ATOM 1046 CD GLU A1962 52.831 26.634 -4.563 1.00 32.40 C ATOM 1047 OE1 GLU A1962 52.151 25.643 -4.226 1.00 27.95 O ATOM 1048 OE2 GLU A1962 52.919 27.607 -3.809 1.00 29.69 O ATOM 1049 H GLU A1962 56.212 25.231 -6.239 1.00 0.00 H ATOM 1050 N LYS A1963 55.034 22.428 -7.442 1.00 32.38 N ATOM 1051 CA LYS A1963 54.908 21.108 -8.085 1.00 35.79 C ATOM 1052 C LYS A1963 55.086 19.990 -7.069 1.00 35.05 C ATOM 1053 O LYS A1963 54.268 19.051 -6.994 1.00 36.58 O ATOM 1054 CB LYS A1963 55.884 20.907 -9.265 1.00 42.13 C ATOM 1055 CG LYS A1963 56.010 19.434 -9.684 1.00 41.89 C ATOM 1056 CD LYS A1963 56.471 19.199 -11.123 1.00 48.36 C ATOM 1057 CE LYS A1963 56.469 17.695 -11.479 1.00 47.26 C ATOM 1058 NZ LYS A1963 55.097 17.120 -11.701 1.00 51.71 N ATOM 1059 HZ1 LYS A1963 54.531 17.232 -10.835 1.00 0.00 H ATOM 1060 HZ2 LYS A1963 54.635 17.622 -12.486 1.00 0.00 H ATOM 1061 HZ3 LYS A1963 55.179 16.110 -11.935 1.00 0.00 H ATOM 1062 H LYS A1963 55.856 23.030 -7.652 1.00 0.00 H ATOM 1063 N LYS A1964 56.147 20.100 -6.280 1.00 33.29 N ATOM 1064 CA LYS A1964 56.358 19.167 -5.178 1.00 33.31 C ATOM 1065 C LYS A1964 55.172 19.135 -4.250 1.00 30.49 C ATOM 1066 O LYS A1964 54.745 18.051 -3.794 1.00 35.62 O ATOM 1067 CB LYS A1964 57.617 19.528 -4.432 1.00 33.03 C ATOM 1068 CG LYS A1964 58.818 19.103 -5.247 1.00 46.68 C ATOM 1069 CD LYS A1964 60.121 19.474 -4.608 1.00 49.62 C ATOM 1070 CE LYS A1964 61.266 19.030 -5.516 1.00 51.51 C ATOM 1071 NZ LYS A1964 61.224 17.602 -5.897 1.00 55.52 N ATOM 1072 HZ1 LYS A1964 61.270 17.014 -5.040 1.00 0.00 H ATOM 1073 HZ2 LYS A1964 60.339 17.406 -6.406 1.00 0.00 H ATOM 1074 HZ3 LYS A1964 62.034 17.385 -6.512 1.00 0.00 H ATOM 1075 H LYS A1964 56.836 20.860 -6.449 1.00 0.00 H ATOM 1076 N TRP A1965 54.587 20.302 -4.014 1.00 27.42 N ATOM 1077 CA TRP A1965 53.462 20.399 -3.065 1.00 29.91 C ATOM 1078 C TRP A1965 52.228 19.615 -3.611 1.00 36.32 C ATOM 1079 O TRP A1965 51.608 18.840 -2.903 1.00 37.39 O ATOM 1080 CB TRP A1965 53.076 21.857 -2.828 1.00 28.06 C ATOM 1081 CG TRP A1965 52.065 22.006 -1.729 1.00 29.49 C ATOM 1082 CD1 TRP A1965 50.747 22.329 -1.852 1.00 33.35 C ATOM 1083 CD2 TRP A1965 52.304 21.814 -0.327 1.00 28.85 C ATOM 1084 NE1 TRP A1965 50.150 22.344 -0.618 1.00 36.53 N ATOM 1085 CE2 TRP A1965 51.085 22.031 0.334 1.00 31.50 C ATOM 1086 CE3 TRP A1965 53.443 21.468 0.428 1.00 29.06 C ATOM 1087 CZ2 TRP A1965 50.960 21.938 1.726 1.00 32.46 C ATOM 1088 CZ3 TRP A1965 53.317 21.360 1.790 1.00 30.81 C ATOM 1089 CH2 TRP A1965 52.085 21.607 2.433 1.00 29.83 C ATOM 1090 HE1 TRP A1965 49.149 22.558 -0.434 1.00 0.00 H ATOM 1091 H TRP A1965 54.925 21.156 -4.502 1.00 0.00 H ATOM 1092 N THR A1966 51.890 19.864 -4.873 1.00 34.67 N ATOM 1093 CA THR A1966 50.790 19.188 -5.557 1.00 37.36 C ATOM 1094 C THR A1966 51.033 17.694 -5.703 1.00 42.82 C ATOM 1095 O THR A1966 50.121 16.884 -5.523 1.00 47.95 O ATOM 1096 CB THR A1966 50.644 19.747 -6.979 1.00 43.13 C ATOM 1097 OG1 THR A1966 50.259 21.114 -6.899 1.00 46.22 O ATOM 1098 CG2 THR A1966 49.606 18.966 -7.776 1.00 49.49 C ATOM 1099 HG1 THR A1966 50.952 21.623 -6.408 1.00 0.00 H ATOM 1100 H THR A1966 52.436 20.576 -5.399 1.00 0.00 H ATOM 1101 N ASP A1967 52.245 17.321 -6.079 1.00 41.58 N ATOM 1102 CA ASP A1967 52.543 15.935 -6.326 1.00 46.74 C ATOM 1103 C ASP A1967 52.527 15.141 -5.040 1.00 50.84 C ATOM 1104 O ASP A1967 52.167 13.985 -5.053 1.00 47.50 O ATOM 1105 CB ASP A1967 53.898 15.775 -7.000 1.00 45.95 C ATOM 1106 CG ASP A1967 53.881 16.226 -8.456 1.00 50.07 C ATOM 1107 OD1 ASP A1967 52.793 16.470 -9.057 1.00 45.19 O ATOM 1108 OD2 ASP A1967 54.988 16.360 -8.991 1.00 48.02 O ATOM 1109 H ASP A1967 52.990 18.037 -6.197 1.00 0.00 H ATOM 1110 N THR A1968 52.904 15.764 -3.929 1.00 43.83 N ATOM 1111 CA THR A1968 52.995 15.073 -2.644 1.00 41.68 C ATOM 1112 C THR A1968 51.660 14.979 -1.919 1.00 41.29 C ATOM 1113 O THR A1968 51.366 13.959 -1.313 1.00 45.49 O ATOM 1114 CB THR A1968 54.003 15.797 -1.740 1.00 37.39 C ATOM 1115 OG1 THR A1968 55.259 15.869 -2.422 1.00 36.55 O ATOM 1116 CG2 THR A1968 54.165 15.097 -0.414 1.00 38.89 C ATOM 1117 HG1 THR A1968 55.145 16.369 -3.269 1.00 0.00 H ATOM 1118 H THR A1968 53.142 16.775 -3.975 1.00 0.00 H ATOM 1119 N PHE A1969 50.847 16.026 -2.018 1.00 39.67 N ATOM 1120 CA PHE A1969 49.647 16.139 -1.193 1.00 49.63 C ATOM 1121 C PHE A1969 48.322 16.291 -1.969 1.00 57.54 C ATOM 1122 O PHE A1969 47.262 16.338 -1.355 1.00 63.80 O ATOM 1123 CB PHE A1969 49.810 17.340 -0.253 1.00 40.35 C ATOM 1124 CG PHE A1969 50.941 17.186 0.767 1.00 37.17 C ATOM 1125 CD1 PHE A1969 50.854 16.260 1.794 1.00 41.41 C ATOM 1126 CD2 PHE A1969 52.054 18.017 0.725 1.00 36.62 C ATOM 1127 CE1 PHE A1969 51.876 16.142 2.733 1.00 38.87 C ATOM 1128 CE2 PHE A1969 53.067 17.904 1.661 1.00 32.31 C ATOM 1129 CZ PHE A1969 52.976 16.987 2.666 1.00 35.47 C ATOM 1130 H PHE A1969 51.070 16.781 -2.698 1.00 0.00 H ATOM 1131 N LYS A1970 48.377 16.371 -3.295 1.00 60.94 N ATOM 1132 CA LYS A1970 47.178 16.603 -4.113 1.00 88.97 C ATOM 1133 C LYS A1970 47.150 15.772 -5.419 1.00106.19 C ATOM 1134 O LYS A1970 46.440 16.139 -6.357 1.00121.33 O ATOM 1135 CB LYS A1970 47.055 18.113 -4.430 1.00 72.05 C ATOM 1136 H LYS A1970 49.297 16.266 -3.768 1.00 0.00 H ATOM 1137 N VAL A1971 47.901 14.665 -5.483 1.00 94.20 N ATOM 1138 CA VAL A1971 48.024 13.874 -6.726 1.00107.18 C ATOM 1139 C VAL A1971 47.909 12.378 -6.438 1.00122.00 C ATOM 1140 O VAL A1971 48.342 11.907 -5.387 1.00117.10 O ATOM 1141 CB VAL A1971 49.353 14.149 -7.477 1.00 79.31 C ATOM 1142 H VAL A1971 48.413 14.353 -4.633 1.00 0.00 H TER 1143 VAL A1971 HETATM 1144 O HOH 1 67.877 18.003 5.510 1.00 51.02 O HETATM 1145 O HOH 2 55.926 40.249 4.687 1.00 28.69 O HETATM 1146 O HOH 3 64.654 15.387 4.512 1.00 53.70 O HETATM 1147 O HOH 4 59.427 35.187 -5.735 1.00 22.07 O HETATM 1148 O HOH 5 51.052 33.460 -1.390 1.00 34.32 O HETATM 1149 O HOH 6 55.332 43.006 3.888 1.00 42.33 O HETATM 1150 O HOH 7 66.649 46.724 6.562 1.00 35.09 O HETATM 1151 O HOH 8 65.132 44.651 -7.751 1.00 40.90 O HETATM 1152 O HOH 9 60.593 37.096 -7.358 1.00 29.20 O HETATM 1153 O HOH 10 60.746 43.671 9.105 1.00 41.24 O HETATM 1154 O HOH 11 71.153 39.495 3.768 1.00 45.71 O HETATM 1155 O HOH 12 62.614 36.216 0.168 1.00 24.99 O HETATM 1156 O HOH 13 69.485 40.043 -7.880 1.00 32.02 O HETATM 1157 O HOH 14 50.690 23.641 -5.517 1.00 34.15 O HETATM 1158 O HOH 15 56.872 46.003 -4.139 1.00 37.38 O HETATM 1159 O HOH 16 62.319 37.383 3.971 1.00 21.97 O HETATM 1160 O HOH 17 32.551 17.064 17.548 1.00 40.57 O HETATM 1161 O HOH 18 52.765 30.083 -4.646 1.00 29.53 O HETATM 1162 O HOH 19 58.552 46.826 9.420 1.00 59.42 O HETATM 1163 O HOH 20 57.765 32.835 12.609 1.00 38.98 O HETATM 1164 O HOH 21 52.138 36.834 6.191 1.00 41.20 O HETATM 1165 O HOH 22 61.564 13.552 6.718 1.00 58.42 O HETATM 1166 O HOH 23 57.242 16.299 -7.549 1.00 43.41 O HETATM 1167 O HOH 24 65.861 44.086 13.602 1.00 55.46 O HETATM 1168 O HOH 25 33.023 10.248 8.362 1.00 37.16 O HETATM 1169 O HOH 26 60.275 39.564 -8.404 1.00 30.15 O HETATM 1170 O HOH 27 66.857 20.192 -5.141 1.00 36.43 O HETATM 1171 O HOH 28 58.261 36.955 10.003 1.00 36.57 O HETATM 1172 O HOH 29 57.806 40.558 11.805 1.00 49.32 O HETATM 1173 O HOH 30 55.770 12.487 9.777 1.00 35.72 O HETATM 1174 O HOH 31 48.756 30.020 0.228 1.00 37.98 O HETATM 1175 O HOH 32 56.387 21.601 13.074 1.00 33.09 O HETATM 1176 O HOH 33 53.127 32.284 7.178 1.00 36.09 O HETATM 1177 O HOH 34 69.386 20.448 3.145 1.00 50.28 O HETATM 1178 O HOH 35 75.232 39.173 6.660 1.00 53.56 O HETATM 1179 O HOH 36 58.660 31.526 15.581 1.00 49.81 O HETATM 1180 O HOH 37 45.125 16.612 7.178 1.00 59.05 O HETATM 1181 O HOH 38 71.243 25.354 -2.277 1.00 34.43 O HETATM 1182 O HOH 39 61.960 43.470 -13.586 1.00 45.48 O HETATM 1183 O HOH 40 68.011 39.590 -18.025 1.00 51.91 O HETATM 1184 O HOH 41 62.664 45.640 16.225 1.00 62.96 O HETATM 1185 O HOH 42 55.285 32.888 10.005 1.00 38.66 O HETATM 1186 O HOH 43 71.492 24.324 1.942 1.00 41.69 O HETATM 1187 O HOH 44 71.800 30.346 -8.787 1.00 36.44 O HETATM 1188 O HOH 45 56.470 40.958 -9.238 1.00 48.19 O HETATM 1189 O HOH 46 57.490 34.281 -7.417 1.00 37.74 O HETATM 1190 O HOH 47 55.035 39.340 1.366 1.00 39.82 O HETATM 1191 O HOH 48 67.818 43.858 -11.832 1.00 53.21 O HETATM 1192 O HOH 49 62.960 19.464 10.175 1.00 34.36 O HETATM 1193 O HOH 50 45.224 22.221 12.632 1.00 49.27 O HETATM 1194 O HOH 51 66.982 31.353 11.105 1.00 58.54 O HETATM 1195 O HOH 52 55.311 24.192 -10.658 1.00 36.93 O HETATM 1196 O HOH 53 48.011 24.943 0.330 1.00 51.72 O HETATM 1197 O HOH 54 72.018 39.234 -6.657 1.00 42.12 O HETATM 1198 O HOH 55 49.807 24.982 -7.758 1.00 59.36 O HETATM 1199 O HOH 56 67.762 45.559 12.830 1.00 59.08 O HETATM 1200 O HOH 57 64.241 49.400 6.273 1.00 36.13 O HETATM 1201 O HOH 58 73.386 23.395 -2.815 1.00 56.57 O HETATM 1202 O HOH 59 51.705 34.008 5.568 1.00 40.74 O HETATM 1203 O HOH 60 61.506 17.439 11.023 1.00 56.00 O HETATM 1204 O HOH 61 66.247 17.499 -4.725 1.00 59.51 O HETATM 1205 O HOH 62 56.933 30.708 -10.137 1.00 42.67 O HETATM 1206 O HOH 63 48.460 30.124 -2.606 1.00 50.82 O HETATM 1207 O HOH 64 50.501 27.497 -8.042 1.00 60.84 O HETATM 1208 O HOH 65 63.845 46.251 -13.896 1.00 65.24 O HETATM 1209 O HOH 66 26.243 18.971 14.690 1.00 33.56 O HETATM 1210 O HOH 67 48.207 23.233 -4.469 1.00 47.34 O HETATM 1211 O HOH 68 62.785 17.566 15.678 1.00 42.65 O HETATM 1212 O HOH 69 60.226 17.942 13.331 1.00 43.97 O HETATM 1213 O HOH 70 53.767 34.767 -8.711 1.00 50.72 O HETATM 1214 O HOH 71 71.101 24.537 4.347 1.00 61.39 O HETATM 1215 O HOH 72 64.421 34.053 11.804 1.00 44.90 O HETATM 1216 O HOH 73 63.893 17.313 -7.118 1.00 45.06 O HETATM 1217 O HOH 74 55.018 31.773 14.114 1.00 63.52 O HETATM 1218 O HOH 75 43.836 14.171 -4.279 1.00 70.30 O HETATM 1219 O HOH 76 43.835 15.013 8.896 1.00 58.97 O HETATM 1220 O HOH 77 53.093 32.518 12.109 1.00 59.54 O HETATM 1221 O HOH 78 51.733 35.783 -4.415 1.00 51.39 O HETATM 1222 O HOH 79 44.611 9.660 3.748 1.00 49.77 O HETATM 1223 O HOH 80 56.082 35.252 10.353 1.00 60.22 O HETATM 1224 O HOH 81 72.479 27.694 -2.826 1.00 37.68 O HETATM 1225 O HOH 82 46.603 18.710 8.413 1.00 44.15 O HETATM 1226 O HOH 83 59.481 38.703 12.092 1.00 52.06 O HETATM 1227 O HOH 84 52.757 38.341 2.456 1.00 38.63 O HETATM 1228 O HOH 85 55.570 33.137 -10.061 1.00 53.22 O HETATM 1229 O HOH 86 45.628 21.389 7.354 1.00 54.74 O HETATM 1230 O HOH 87 74.669 28.933 -0.743 1.00 47.94 O HETATM 1231 O HOH 88 70.624 33.347 2.104 1.00 30.44 O HETATM 1232 O HOH 89 70.299 35.884 3.287 1.00 33.65 O HETATM 1233 O HOH 90 73.135 32.124 2.581 1.00 41.61 O HETATM 1234 O HOH 91 73.463 31.732 0.059 1.00 39.07 O HETATM 1235 O HOH 92 74.010 29.948 3.656 1.00 48.14 O HETATM 1236 O HOH 93 71.383 36.697 7.895 1.00 46.69 O HETATM 1237 O HOH 94 65.445 39.138 7.955 1.00 27.92 O HETATM 1238 O HOH 95 64.472 37.271 5.955 1.00 23.95 O HETATM 1239 O HOH 96 63.698 35.447 7.815 1.00 23.50 O HETATM 1240 O HOH 97 63.965 35.310 2.329 1.00 25.61 O HETATM 1241 O HOH 98 66.478 35.414 2.666 1.00 26.93 O HETATM 1242 O HOH 99 62.768 38.935 0.078 1.00 23.21 O HETATM 1243 O HOH 100 53.450 39.223 5.001 1.00 35.15 O HETATM 1244 O HOH 101 52.008 33.113 2.919 1.00 26.66 O HETATM 1245 O HOH 102 52.730 35.576 1.788 1.00 31.31 O HETATM 1246 O HOH 103 50.204 32.364 0.910 1.00 33.88 O HETATM 1247 O HOH 104 47.566 33.459 1.763 1.00 58.43 O HETATM 1248 O HOH 105 63.748 36.022 10.395 1.00 30.96 O HETATM 1249 O HOH 106 64.627 38.754 10.252 1.00 29.27 O HETATM 1250 O HOH 107 71.424 38.688 9.710 1.00 51.28 O HETATM 1251 O HOH 108 62.680 40.147 11.688 1.00 38.76 O HETATM 1252 O HOH 109 69.248 50.157 6.893 1.00 48.47 O HETATM 1253 O HOH 110 73.660 36.631 6.438 1.00 50.36 O HETATM 1254 O HOH 111 67.637 26.064 10.741 1.00 31.99 O HETATM 1255 O HOH 112 67.113 23.954 12.518 1.00 36.09 O HETATM 1256 O HOH 113 66.696 21.463 12.412 1.00 40.14 O HETATM 1257 O HOH 114 68.989 25.037 8.525 1.00 39.46 O HETATM 1258 O HOH 115 67.504 25.385 6.297 1.00 36.42 O HETATM 1259 O HOH 116 68.725 27.152 4.858 1.00 32.11 O HETATM 1260 O HOH 117 59.314 20.514 -8.389 1.00 31.90 O HETATM 1261 O HOH 118 50.871 31.734 -3.456 1.00 43.75 O HETATM 1262 O HOH 119 48.735 28.000 -4.564 1.00 57.39 O HETATM 1263 O HOH 120 49.092 18.252 8.733 1.00 29.90 O HETATM 1264 O HOH 121 50.435 28.665 13.534 1.00 48.59 O HETATM 1265 O HOH 122 47.664 29.811 9.266 1.00 59.78 O HETATM 1266 O HOH 123 50.087 30.491 9.721 1.00 51.11 O HETATM 1267 O HOH 124 64.264 14.889 0.082 1.00 63.97 O HETATM 1268 O HOH 125 67.227 20.997 -8.939 1.00 57.58 O HETATM 1269 O HOH 126 69.257 22.715 -8.640 1.00 38.97 O HETATM 1270 O HOH 127 69.499 24.264 -12.688 1.00 41.13 O HETATM 1271 O HOH 128 62.679 39.040 -16.273 1.00 60.76 O HETATM 1272 O HOH 129 59.294 43.407 -11.362 1.00 43.39 O HETATM 1273 O HOH 130 45.959 26.051 8.974 1.00 61.53 O HETATM 1274 O HOH 131 50.461 12.022 5.922 1.00 39.73 O HETATM 1275 O HOH 132 57.260 9.201 8.015 1.00 55.25 O HETATM 1276 O HOH 133 56.990 9.546 4.069 1.00 63.95 O HETATM 1277 O HOH 134 63.167 26.475 17.754 1.00 35.57 O HETATM 1278 O HOH 135 33.657 21.038 13.235 1.00 53.64 O HETATM 1279 O HOH 136 32.919 20.736 5.097 1.00 44.37 O HETATM 1280 O HOH 137 33.870 18.769 8.178 1.00 63.55 O HETATM 1281 O HOH 138 44.283 11.473 9.685 1.00 64.93 O HETATM 1282 O HOH 139 60.690 13.748 9.923 1.00 60.11 O HETATM 1283 O HOH 140 60.499 14.686 -5.446 1.00 58.90 O HETATM 1284 O HOH 141 59.422 17.812 -8.377 1.00 45.56 O HETATM 1285 O HOH 142 57.512 14.943 -12.392 1.00 54.38 O HETATM 1286 O HOH 143 54.384 12.811 -9.391 1.00 67.10 O HETATM 1287 O HOH 144 59.312 18.183 -14.689 1.00 49.26 O HETATM 1288 O HOH 145 60.060 19.150 -12.219 1.00 36.63 O HETATM 1289 O HOH 146 56.552 18.132 -15.235 1.00 50.06 O HETATM 1290 O HOH 147 69.766 15.926 0.962 1.00 62.17 O HETATM 1291 O HOH 148 68.640 20.343 -7.221 1.00 60.73 O HETATM 1292 O HOH 149 70.231 20.723 -12.321 1.00 62.31 O HETATM 1293 O HOH 150 60.532 17.118 -10.551 1.00 48.06 O HETATM 1294 O HOH 151 71.211 21.746 2.239 1.00 57.40 O HETATM 1295 O HOH 152 68.670 20.676 5.807 1.00 58.17 O HETATM 1296 O HOH 153 71.351 26.906 8.326 1.00 52.45 O HETATM 1297 O HOH 154 75.701 29.697 7.178 1.00 60.38 O HETATM 1298 O HOH 155 75.181 34.147 3.701 1.00 49.42 O HETATM 1299 O HOH 156 71.985 36.986 4.409 1.00 49.22 O HETATM 1300 O HOH 157 70.944 42.817 -3.582 1.00 47.83 O HETATM 1301 O HOH 158 67.624 41.611 -7.024 1.00 45.16 O HETATM 1302 O HOH 159 66.401 44.579 -4.996 1.00 43.15 O HETATM 1303 O HOH 160 61.595 36.754 -13.121 1.00 50.25 O HETATM 1304 O HOH 161 58.474 36.798 -14.286 1.00 59.18 O HETATM 1305 O HOH 162 61.729 34.153 -13.941 1.00 49.47 O HETATM 1306 O HOH 163 70.549 40.674 -10.643 1.00 45.88 O HETATM 1307 O HOH 164 69.236 40.749 -15.097 1.00 50.03 O HETATM 1308 O HOH 165 73.225 28.277 4.908 1.00 50.35 O HETATM 1309 O HOH 166 61.460 42.424 11.214 1.00 41.21 O HETATM 1310 O HOH 167 68.980 48.188 0.000 1.00 46.95 O HETATM 1311 O HOH 168 73.248 48.188 0.000 1.00 63.64 O HETATM 1312 O HOH 169 53.806 47.518 4.480 1.00 61.22 O HETATM 1313 O HOH 170 61.184 35.665 10.549 1.00 46.85 O HETATM 1314 O HOH 171 59.792 34.126 12.526 1.00 44.95 O HETATM 1315 O HOH 172 52.541 29.921 8.788 1.00 30.58 O HETATM 1316 O HOH 173 53.745 29.929 11.396 1.00 38.70 O HETATM 1317 O HOH 174 55.955 29.991 15.956 1.00 51.35 O HETATM 1318 O HOH 175 71.431 24.006 12.358 1.00 63.25 O HETATM 1319 O HOH 176 46.086 28.157 5.039 1.00 58.54 O HETATM 1320 O HOH 177 54.006 28.851 -9.143 1.00 57.02 O HETATM 1321 O HOH 178 51.912 29.806 -7.339 1.00 54.13 O HETATM 1322 O HOH 179 50.641 33.652 -5.275 1.00 54.80 O HETATM 1323 O HOH 180 47.492 24.500 -2.089 1.00 45.22 O HETATM 1324 O HOH 181 60.847 31.855 13.970 1.00 51.05 O HETATM 1325 O HOH 182 52.861 28.079 12.352 1.00 47.32 O HETATM 1326 O HOH 183 48.324 26.719 3.157 1.00 57.36 O HETATM 1327 O HOH 184 49.148 36.847 4.220 1.00 63.70 O HETATM 1328 O HOH 185 51.279 22.448 -8.802 1.00 65.72 O HETATM 1329 O HOH 186 52.667 18.525 -11.156 1.00 62.14 O HETATM 1330 O HOH 187 67.311 48.159 -10.477 1.00 57.61 O HETATM 1331 CAH UNN A 188 67.552 40.862 -0.361 1.00 0.11 C HETATM 1332 CAG UNN A 188 68.683 41.127 -1.365 1.00 -0.01 C HETATM 1333 CAM UNN A 188 69.720 40.101 -1.236 1.00 -0.02 C HETATM 1334 NAJ UNN A 188 70.966 40.147 -1.735 1.00 -0.40 N HETATM 1335 CAO UNN A 188 71.639 39.028 -1.445 1.00 -0.04 C HETATM 1336 CAE UNN A 188 72.909 38.692 -1.764 1.00 -0.07 C HETATM 1337 CAD UNN A 188 73.435 37.459 -1.344 1.00 -0.07 C HETATM 1338 CAL UNN A 188 72.602 36.606 -0.597 1.00 0.02 C HETATM 1339 CL UNN A 188 73.257 35.108 -0.076 1.00 -0.08 CL HETATM 1340 CAF UNN A 188 71.280 37.009 -0.316 1.00 -0.06 C HETATM 1341 CAP UNN A 188 70.811 38.203 -0.718 1.00 -0.04 C HETATM 1342 CAN UNN A 188 69.623 38.867 -0.580 1.00 0.03 C HETATM 1343 CAI UNN A 188 68.419 38.490 0.034 1.00 0.13 C HETATM 1344 NAQ UNN A 188 67.284 39.447 -0.407 1.00 -0.12 N HETATM 1345 CAK UNN A 188 66.161 39.066 -0.922 1.00 0.28 C HETATM 1346 OAB UNN A 188 65.183 39.762 -1.161 1.00 -0.35 O HETATM 1347 CAA UNN A 188 65.947 37.502 -0.793 1.00 0.05 C HETATM 1348 H UNN A 188 64.982 37.226 -1.243 1.00 0.05 H HETATM 1349 H UNN A 188 65.951 37.218 0.270 1.00 0.05 H HETATM 1350 H UNN A 188 66.760 36.976 -1.316 1.00 0.05 H HETATM 1351 H UNN A 188 68.300 37.651 0.718 1.00 0.15 H HETATM 1352 H UNN A 188 70.628 36.342 0.236 1.00 0.06 H HETATM 1353 H UNN A 188 74.452 37.173 -1.588 1.00 0.05 H HETATM 1354 H UNN A 188 73.521 39.374 -2.344 1.00 0.05 H HETATM 1355 H UNN A 188 68.710 41.957 -2.070 1.00 0.05 H HETATM 1356 H UNN A 188 67.050 41.599 0.264 1.00 0.13 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1331 1332 1344 1356 CONECT 1332 1331 1333 1355 CONECT 1333 1332 1334 1342 CONECT 1334 1333 1335 CONECT 1335 1334 1336 1341 CONECT 1336 1335 1337 1354 CONECT 1337 1336 1338 1353 CONECT 1338 1337 1339 1340 CONECT 1339 1338 CONECT 1340 1338 1341 1352 CONECT 1341 1335 1340 1342 CONECT 1342 1333 1341 1343 CONECT 1343 1342 1344 1351 CONECT 1344 1331 1343 1345 CONECT 1345 1344 1346 1347 CONECT 1346 1345 CONECT 1347 1345 1348 1349 1350 CONECT 1348 1347 CONECT 1349 1347 CONECT 1350 1347 CONECT 1351 1343 CONECT 1352 1340 CONECT 1353 1337 CONECT 1354 1336 CONECT 1355 1332 CONECT 1356 1331 MASTER 0 0 0 0 0 0 0 0 1355 1 30 9 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 4nra
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ir5
RCSB PDB
PDBbind
117aa, >4IR5_1|Chain... *
4ir6
RCSB PDB
PDBbind
117aa, >4IR6_1|Chain... at 100%
4nrb
RCSB PDB
PDBbind
117aa, >4NRB_1|Chain... at 100%
4nrc
RCSB PDB
PDBbind
117aa, >4NRC_1|Chain... at 100%
4qc1
RCSB PDB
PDBbind
107aa, >4QC1_1|Chains... at 98%
4rvr
RCSB PDB
PDBbind
117aa, >4RVR_1|Chain... at 100%
4xua
RCSB PDB
PDBbind
117aa, >4XUA_1|Chain... at 100%
4xub
RCSB PDB
PDBbind
117aa, >4XUB_1|Chain... at 100%
5e73
RCSB PDB
PDBbind
116aa, >5E73_1|Chain... at 100%
5e74
RCSB PDB
PDBbind
116aa, >5E74_1|Chain... at 100%
5l8t
RCSB PDB
PDBbind
116aa, >5L8T_1|Chain... at 100%
5l96
RCSB PDB
PDBbind
116aa, >5L96_1|Chain... at 100%
5l97
RCSB PDB
PDBbind
116aa, >5L97_1|Chain... at 100%
5l98
RCSB PDB
PDBbind
116aa, >5L98_1|Chain... at 100%
5l99
RCSB PDB
PDBbind
116aa, >5L99_1|Chain... at 100%
5mge
RCSB PDB
PDBbind
116aa, >5MGE_1|Chain... at 100%
5mgf
RCSB PDB
PDBbind
116aa, >5MGF_1|Chain... at 100%
5mgg
RCSB PDB
PDBbind
116aa, >5MGG_1|Chain... at 100%
5or9
RCSB PDB
PDBbind
117aa, >5OR9_1|Chain... at 100%
5orb
RCSB PDB
PDBbind
117aa, >5ORB_1|Chain... at 100%
6fh6
RCSB PDB
PDBbind
117aa, >6FH6_1|Chain... at 100%
6fh7
RCSB PDB
PDBbind
117aa, >6FH7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4nra
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B BAZ2B Bromodomain
Ligand Name
2LW
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=65uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 10183-10187
Ligand Properties
Formula
C
1
3
H
9
ClN
2
O
Molecular Weight
244.676
Exact Mass
244.040
No. of atoms
26
No. of bonds
28
Polar Surface Area
34.89
LOGP Value
2.46 (
Computed with XLOGP3
)
3.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Clc1ccc2c(c1)c1cn(ccc1n2)C(=O)C
InChI String
InChI=1S/C13H9ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-7H,1H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UIF8
Entrez Gene ID
NCBI Entrez Gene ID:
29994
ASD
Information of known allosteric effects of PDB entries
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