Browse entries in the PDBbind-CN Database
HEADER 5OR9_COMPLEX COMPND 5OR9_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 JR A 5 48 ATOM 1 N SER A1856 -10.691 29.203 -12.018 1.00 36.91 N ATOM 2 CA SER A1856 -11.104 28.575 -13.265 1.00 36.72 C ATOM 3 C SER A1856 -11.002 29.572 -14.416 1.00 42.61 C ATOM 4 O SER A1856 -10.396 30.633 -14.264 1.00 39.48 O ATOM 5 CB SER A1856 -12.523 28.029 -13.140 1.00 38.73 C ATOM 6 OG SER A1856 -13.418 29.036 -12.725 1.00 37.24 O ATOM 7 HG SER A1856 -13.417 29.770 -13.389 1.00 0.00 H ATOM 8 HN3 SER A1856 -11.308 30.017 -11.820 1.00 0.00 H ATOM 9 HN2 SER A1856 -9.706 29.526 -12.103 1.00 0.00 H ATOM 10 HN1 SER A1856 -10.765 28.514 -11.243 1.00 0.00 H ATOM 11 N MET A1857 -11.590 29.233 -15.564 1.00 39.29 N ATOM 12 CA MET A1857 -11.461 30.074 -16.752 1.00 41.05 C ATOM 13 C MET A1857 -11.962 31.486 -16.473 1.00 41.15 C ATOM 14 O MET A1857 -13.121 31.677 -16.089 1.00 39.54 O ATOM 15 CB MET A1857 -12.237 29.459 -17.916 1.00 39.14 C ATOM 16 CG MET A1857 -11.694 29.826 -19.268 1.00 40.27 C ATOM 17 SD MET A1857 -12.788 29.286 -20.595 1.00 40.46 S ATOM 18 CE MET A1857 -13.287 27.668 -20.059 1.00 39.79 C ATOM 19 H MET A1857 -12.149 28.357 -15.614 1.00 0.00 H ATOM 20 N SER A1858 -11.076 32.471 -16.661 1.00 44.14 N ATOM 21 CA SER A1858 -11.338 33.893 -16.422 1.00 38.89 C ATOM 22 C SER A1858 -11.575 34.223 -14.947 1.00 43.09 C ATOM 23 O SER A1858 -12.109 35.290 -14.628 1.00 43.32 O ATOM 24 CB SER A1858 -12.516 34.398 -17.261 1.00 46.64 C ATOM 25 OG SER A1858 -12.367 34.012 -18.624 1.00 41.98 O ATOM 26 HG SER A1858 -13.138 34.348 -19.147 1.00 0.00 H ATOM 27 H SER A1858 -10.130 32.207 -17.003 1.00 0.00 H ATOM 28 N VAL A1859 -11.191 33.344 -14.026 1.00 38.01 N ATOM 29 CA VAL A1859 -11.347 33.589 -12.592 1.00 42.09 C ATOM 30 C VAL A1859 -9.964 33.403 -11.978 1.00 45.75 C ATOM 31 O VAL A1859 -9.567 32.288 -11.626 1.00 46.03 O ATOM 32 CB VAL A1859 -12.379 32.670 -11.938 1.00 38.51 C ATOM 33 CG1 VAL A1859 -12.466 32.946 -10.442 1.00 37.07 C ATOM 34 CG2 VAL A1859 -13.729 32.864 -12.593 1.00 42.81 C ATOM 35 H VAL A1859 -10.764 32.448 -14.337 1.00 0.00 H ATOM 36 N LYS A1860 -9.228 34.505 -11.845 1.00 46.84 N ATOM 37 CA LYS A1860 -7.820 34.478 -11.480 1.00 48.38 C ATOM 38 C LYS A1860 -7.672 34.577 -9.971 1.00 51.56 C ATOM 39 O LYS A1860 -8.243 35.471 -9.340 1.00 44.67 O ATOM 40 CB LYS A1860 -7.066 35.625 -12.159 1.00 54.26 C ATOM 41 CG LYS A1860 -7.135 35.616 -13.696 1.00 67.46 C ATOM 42 CD LYS A1860 -6.368 34.431 -14.304 1.00 74.45 C ATOM 43 CE LYS A1860 -7.297 33.379 -14.921 1.00 77.49 C ATOM 44 NZ LYS A1860 -7.206 32.047 -14.246 1.00 77.00 N ATOM 45 HZ1 LYS A1860 -6.232 31.689 -14.318 1.00 0.00 H ATOM 46 HZ2 LYS A1860 -7.466 32.149 -13.244 1.00 0.00 H ATOM 47 HZ3 LYS A1860 -7.857 31.380 -14.708 1.00 0.00 H ATOM 48 H LYS A1860 -9.680 35.427 -12.010 1.00 0.00 H ATOM 49 N LYS A1861 -6.927 33.679 -9.416 1.00 53.29 N ATOM 50 CA LYS A1861 -6.580 33.707 -8.006 1.00 57.92 C ATOM 51 C LYS A1861 -5.373 34.610 -7.803 1.00 59.64 C ATOM 52 O LYS A1861 -4.413 34.523 -8.578 1.00 61.97 O ATOM 53 CB LYS A1861 -6.268 32.301 -7.521 1.00 59.07 C ATOM 54 CG LYS A1861 -5.952 32.169 -6.050 1.00 62.18 C ATOM 55 CD LYS A1861 -5.687 30.704 -5.738 1.00 66.99 C ATOM 56 CE LYS A1861 -5.488 30.450 -4.259 1.00 69.96 C ATOM 57 NZ LYS A1861 -5.387 28.987 -3.996 1.00 72.72 N ATOM 58 HZ1 LYS A1861 -6.262 28.519 -4.307 1.00 0.00 H ATOM 59 HZ2 LYS A1861 -4.578 28.597 -4.520 1.00 0.00 H ATOM 60 HZ3 LYS A1861 -5.251 28.828 -2.977 1.00 0.00 H ATOM 61 H LYS A1861 -6.560 32.903 -10.004 1.00 0.00 H ATOM 62 N PRO A1862 -5.389 35.504 -6.814 1.00 58.94 N ATOM 63 CA PRO A1862 -4.188 36.292 -6.523 1.00 60.67 C ATOM 64 C PRO A1862 -3.004 35.376 -6.268 1.00 59.85 C ATOM 65 O PRO A1862 -3.119 34.354 -5.589 1.00 59.63 O ATOM 66 CB PRO A1862 -4.573 37.085 -5.268 1.00 62.51 C ATOM 67 CG PRO A1862 -6.051 37.192 -5.334 1.00 64.05 C ATOM 68 CD PRO A1862 -6.523 35.901 -5.964 1.00 66.80 C ATOM 69 N LYS A1863 -1.865 35.739 -6.845 1.00 62.59 N ATOM 70 CA LYS A1863 -0.665 34.920 -6.798 1.00 70.27 C ATOM 71 C LYS A1863 0.475 35.728 -6.201 1.00 67.59 C ATOM 72 O LYS A1863 0.616 36.922 -6.485 1.00 68.27 O ATOM 73 CB LYS A1863 -0.281 34.421 -8.200 1.00 75.27 C ATOM 74 CG LYS A1863 -1.312 33.492 -8.837 1.00 79.95 C ATOM 75 CD LYS A1863 -1.265 33.572 -10.358 1.00 84.26 C ATOM 76 CE LYS A1863 -2.122 32.488 -11.009 1.00 85.36 C ATOM 77 NZ LYS A1863 -2.051 32.534 -12.503 1.00 82.84 N ATOM 78 HZ1 LYS A1863 -2.390 33.459 -12.837 1.00 0.00 H ATOM 79 HZ2 LYS A1863 -1.066 32.394 -12.807 1.00 0.00 H ATOM 80 HZ3 LYS A1863 -2.648 31.781 -12.901 1.00 0.00 H ATOM 81 H LYS A1863 -1.830 36.647 -7.351 1.00 0.00 H ATOM 82 N ARG A1864 1.279 35.076 -5.366 1.00 66.18 N ATOM 83 CA ARG A1864 2.429 35.748 -4.784 1.00 62.40 C ATOM 84 C ARG A1864 3.396 36.176 -5.880 1.00 59.91 C ATOM 85 O ARG A1864 3.486 35.554 -6.942 1.00 53.49 O ATOM 86 CB ARG A1864 3.133 34.836 -3.772 1.00 58.40 C ATOM 87 CG ARG A1864 3.457 33.445 -4.283 1.00 57.86 C ATOM 88 CD ARG A1864 4.273 32.641 -3.272 1.00 58.01 C ATOM 89 NE ARG A1864 5.564 33.265 -2.985 1.00 58.18 N ATOM 90 CZ ARG A1864 6.616 33.222 -3.800 1.00 56.94 C ATOM 91 NH1 ARG A1864 7.750 33.817 -3.454 1.00 50.42 N ATOM 92 NH2 ARG A1864 6.533 32.592 -4.970 1.00 54.05 N ATOM 93 HE ARG A1864 5.667 33.776 -2.085 1.00 0.00 H ATOM 94 HH12 ARG A1864 8.571 33.783 -4.092 1.00 0.00 H ATOM 95 HH11 ARG A1864 7.818 34.318 -2.545 1.00 0.00 H ATOM 96 HH22 ARG A1864 7.357 32.561 -5.603 1.00 0.00 H ATOM 97 HH21 ARG A1864 5.644 32.131 -5.250 1.00 0.00 H ATOM 98 H ARG A1864 1.084 34.082 -5.129 1.00 0.00 H ATOM 99 N ASP A1865 4.093 37.278 -5.626 1.00 59.14 N ATOM 100 CA ASP A1865 5.140 37.746 -6.523 1.00 56.51 C ATOM 101 C ASP A1865 6.280 36.732 -6.548 1.00 50.39 C ATOM 102 O ASP A1865 6.903 36.466 -5.516 1.00 46.86 O ATOM 103 CB ASP A1865 5.633 39.110 -6.047 1.00 59.93 C ATOM 104 CG ASP A1865 6.685 39.708 -6.951 1.00 64.11 C ATOM 105 OD1 ASP A1865 6.956 39.137 -8.025 1.00 63.36 O ATOM 106 OD2 ASP A1865 7.242 40.763 -6.577 1.00 66.15 O ATOM 107 H ASP A1865 3.885 37.821 -4.764 1.00 0.00 H ATOM 108 N ASP A1866 6.549 36.156 -7.720 1.00 45.84 N ATOM 109 CA ASP A1866 7.570 35.124 -7.848 1.00 47.70 C ATOM 110 C ASP A1866 8.842 35.634 -8.511 1.00 40.88 C ATOM 111 O ASP A1866 9.742 34.838 -8.799 1.00 39.30 O ATOM 112 CB ASP A1866 7.015 33.920 -8.621 1.00 50.80 C ATOM 113 CG ASP A1866 6.613 34.265 -10.047 1.00 55.70 C ATOM 114 OD1 ASP A1866 6.716 35.444 -10.445 1.00 58.22 O ATOM 115 OD2 ASP A1866 6.185 33.343 -10.774 1.00 57.43 O ATOM 116 H ASP A1866 6.017 36.450 -8.564 1.00 0.00 H ATOM 117 N SER A1867 8.947 36.943 -8.736 1.00 37.81 N ATOM 118 CA SER A1867 10.046 37.486 -9.524 1.00 41.28 C ATOM 119 C SER A1867 11.403 37.332 -8.851 1.00 43.98 C ATOM 120 O SER A1867 12.425 37.353 -9.543 1.00 42.04 O ATOM 121 CB SER A1867 9.794 38.962 -9.822 1.00 45.96 C ATOM 122 OG SER A1867 9.512 39.671 -8.632 1.00 52.71 O ATOM 123 HG SER A1867 8.705 39.288 -8.204 1.00 0.00 H ATOM 124 H SER A1867 8.232 37.588 -8.343 1.00 0.00 H ATOM 125 N LYS A1868 11.449 37.185 -7.527 1.00 42.40 N ATOM 126 CA LYS A1868 12.719 37.014 -6.836 1.00 39.34 C ATOM 127 C LYS A1868 13.025 35.561 -6.498 1.00 37.02 C ATOM 128 O LYS A1868 14.044 35.294 -5.851 1.00 37.10 O ATOM 129 CB LYS A1868 12.737 37.854 -5.553 1.00 48.49 C ATOM 130 CG LYS A1868 12.631 39.363 -5.784 1.00 53.44 C ATOM 131 CD LYS A1868 13.909 39.944 -6.393 1.00 61.95 C ATOM 132 CE LYS A1868 13.710 41.410 -6.807 1.00 71.39 C ATOM 133 NZ LYS A1868 14.955 42.039 -7.345 1.00 73.07 N ATOM 134 HZ1 LYS A1868 15.697 42.014 -6.617 1.00 0.00 H ATOM 135 HZ2 LYS A1868 15.273 41.513 -8.184 1.00 0.00 H ATOM 136 HZ3 LYS A1868 14.758 43.026 -7.607 1.00 0.00 H ATOM 137 H LYS A1868 10.565 37.193 -6.980 1.00 0.00 H ATOM 138 N ASP A1869 12.179 34.617 -6.920 1.00 35.58 N ATOM 139 CA ASP A1869 12.333 33.231 -6.470 1.00 34.40 C ATOM 140 C ASP A1869 13.674 32.641 -6.890 1.00 34.08 C ATOM 141 O ASP A1869 14.327 31.947 -6.102 1.00 36.60 O ATOM 142 CB ASP A1869 11.186 32.369 -6.995 1.00 32.89 C ATOM 143 CG ASP A1869 9.871 32.652 -6.291 1.00 37.58 C ATOM 144 OD1 ASP A1869 9.852 33.495 -5.370 1.00 41.31 O ATOM 145 OD2 ASP A1869 8.850 32.031 -6.655 1.00 38.03 O ATOM 146 H ASP A1869 11.407 34.867 -7.571 1.00 0.00 H ATOM 147 N LEU A1870 14.107 32.907 -8.121 1.00 32.61 N ATOM 148 CA LEU A1870 15.357 32.326 -8.600 1.00 35.41 C ATOM 149 C LEU A1870 16.532 32.807 -7.764 1.00 35.83 C ATOM 150 O LEU A1870 17.350 32.005 -7.302 1.00 36.57 O ATOM 151 CB LEU A1870 15.571 32.673 -10.075 1.00 37.14 C ATOM 152 CG LEU A1870 16.914 32.232 -10.661 1.00 30.28 C ATOM 153 CD1 LEU A1870 16.961 30.704 -10.760 1.00 30.91 C ATOM 154 CD2 LEU A1870 17.162 32.877 -12.027 1.00 33.58 C ATOM 155 H LEU A1870 13.553 33.530 -8.742 1.00 0.00 H ATOM 156 N ALA A1871 16.623 34.121 -7.549 1.00 33.71 N ATOM 157 CA ALA A1871 17.704 34.673 -6.740 1.00 32.14 C ATOM 158 C ALA A1871 17.662 34.149 -5.307 1.00 35.86 C ATOM 159 O ALA A1871 18.710 33.862 -4.716 1.00 36.44 O ATOM 160 CB ALA A1871 17.636 36.204 -6.751 1.00 29.21 C ATOM 161 H ALA A1871 15.914 34.759 -7.963 1.00 0.00 H ATOM 162 N LEU A1872 16.464 34.027 -4.726 1.00 33.95 N ATOM 163 CA LEU A1872 16.367 33.574 -3.337 1.00 35.67 C ATOM 164 C LEU A1872 16.700 32.087 -3.206 1.00 34.33 C ATOM 165 O LEU A1872 17.381 31.681 -2.257 1.00 37.81 O ATOM 166 CB LEU A1872 14.973 33.862 -2.779 1.00 36.89 C ATOM 167 CG LEU A1872 14.595 35.341 -2.621 1.00 41.39 C ATOM 168 CD1 LEU A1872 13.142 35.486 -2.196 1.00 42.00 C ATOM 169 CD2 LEU A1872 15.513 36.015 -1.615 1.00 38.82 C ATOM 170 H LEU A1872 15.601 34.254 -5.261 1.00 0.00 H ATOM 171 N CYS A1873 16.222 31.256 -4.134 1.00 28.28 N ATOM 172 CA CYS A1873 16.607 29.842 -4.103 1.00 27.53 C ATOM 173 C CYS A1873 18.113 29.680 -4.287 1.00 34.03 C ATOM 174 O CYS A1873 18.733 28.802 -3.678 1.00 38.61 O ATOM 175 CB CYS A1873 15.853 29.063 -5.178 1.00 28.30 C ATOM 176 SG CYS A1873 14.123 28.765 -4.819 1.00 34.75 S ATOM 177 H CYS A1873 15.581 31.609 -4.873 1.00 0.00 H ATOM 178 N SER A1874 18.720 30.513 -5.133 1.00 34.19 N ATOM 179 CA SER A1874 20.168 30.470 -5.294 1.00 31.75 C ATOM 180 C SER A1874 20.873 30.844 -3.996 1.00 35.54 C ATOM 181 O SER A1874 21.882 30.227 -3.631 1.00 32.46 O ATOM 182 CB SER A1874 20.592 31.408 -6.429 1.00 36.08 C ATOM 183 OG SER A1874 21.998 31.387 -6.610 1.00 36.04 O ATOM 184 HG SER A1874 22.244 32.000 -7.347 1.00 0.00 H ATOM 185 H SER A1874 18.158 31.196 -5.680 1.00 0.00 H ATOM 186 N MET A1875 20.360 31.863 -3.293 1.00 32.88 N ATOM 187 CA MET A1875 20.933 32.259 -2.006 1.00 36.67 C ATOM 188 C MET A1875 20.841 31.125 -0.993 1.00 36.62 C ATOM 189 O MET A1875 21.815 30.807 -0.302 1.00 39.02 O ATOM 190 CB MET A1875 20.215 33.503 -1.475 1.00 38.54 C ATOM 191 CG MET A1875 20.484 33.804 0.000 1.00 43.29 C ATOM 192 SD MET A1875 19.387 35.057 0.707 1.00 55.07 S ATOM 193 CE MET A1875 17.928 34.091 1.086 1.00 51.42 C ATOM 194 H MET A1875 19.540 32.381 -3.669 1.00 0.00 H ATOM 195 N ILE A1876 19.661 30.510 -0.880 1.00 35.74 N ATOM 196 CA ILE A1876 19.492 29.381 0.034 1.00 35.99 C ATOM 197 C ILE A1876 20.452 28.256 -0.328 1.00 33.61 C ATOM 198 O ILE A1876 21.124 27.694 0.541 1.00 32.10 O ATOM 199 CB ILE A1876 18.034 28.889 0.020 1.00 32.01 C ATOM 200 CG1 ILE A1876 17.094 29.972 0.530 1.00 29.90 C ATOM 201 CG2 ILE A1876 17.891 27.618 0.839 1.00 34.02 C ATOM 202 CD1 ILE A1876 15.636 29.564 0.491 1.00 33.57 C ATOM 203 H ILE A1876 18.854 30.837 -1.448 1.00 0.00 H ATOM 204 N LEU A1877 20.548 27.921 -1.621 1.00 28.49 N ATOM 205 CA LEU A1877 21.429 26.829 -2.024 1.00 27.79 C ATOM 206 C LEU A1877 22.882 27.141 -1.685 1.00 31.26 C ATOM 207 O LEU A1877 23.634 26.253 -1.263 1.00 30.27 O ATOM 208 CB LEU A1877 21.261 26.541 -3.520 1.00 25.21 C ATOM 209 CG LEU A1877 21.972 25.304 -4.057 1.00 26.33 C ATOM 210 CD1 LEU A1877 21.532 24.034 -3.306 1.00 24.43 C ATOM 211 CD2 LEU A1877 21.687 25.175 -5.555 1.00 27.78 C ATOM 212 H LEU A1877 19.997 28.437 -2.336 1.00 0.00 H ATOM 213 N THR A1878 23.293 28.403 -1.835 1.00 28.09 N ATOM 214 CA THR A1878 24.651 28.787 -1.445 1.00 34.22 C ATOM 215 C THR A1878 24.889 28.578 0.052 1.00 34.69 C ATOM 216 O THR A1878 25.973 28.144 0.468 1.00 33.49 O ATOM 217 CB THR A1878 24.905 30.248 -1.816 1.00 40.75 C ATOM 218 OG1 THR A1878 24.936 30.372 -3.238 1.00 38.48 O ATOM 219 CG2 THR A1878 26.222 30.745 -1.228 1.00 35.63 C ATOM 220 HG1 THR A1878 25.100 31.317 -3.482 1.00 0.00 H ATOM 221 H THR A1878 22.646 29.115 -2.230 1.00 0.00 H ATOM 222 N GLU A1879 23.901 28.906 0.882 1.00 32.36 N ATOM 223 CA GLU A1879 24.060 28.658 2.310 1.00 29.34 C ATOM 224 C GLU A1879 24.172 27.164 2.593 1.00 31.57 C ATOM 225 O GLU A1879 24.945 26.752 3.460 1.00 35.04 O ATOM 226 CB GLU A1879 22.902 29.281 3.082 1.00 29.82 C ATOM 227 CG GLU A1879 22.913 30.802 3.015 1.00 44.23 C ATOM 228 CD GLU A1879 21.896 31.439 3.930 1.00 64.09 C ATOM 229 OE1 GLU A1879 20.719 31.548 3.524 1.00 66.34 O ATOM 230 OE2 GLU A1879 22.274 31.823 5.060 1.00 74.22 O ATOM 231 H GLU A1879 23.027 29.334 0.516 1.00 0.00 H ATOM 232 N MET A1880 23.425 26.340 1.856 1.00 33.57 N ATOM 233 CA MET A1880 23.560 24.891 2.006 1.00 31.97 C ATOM 234 C MET A1880 24.961 24.442 1.633 1.00 38.42 C ATOM 235 O MET A1880 25.617 23.715 2.385 1.00 35.42 O ATOM 236 CB MET A1880 22.540 24.186 1.122 1.00 35.46 C ATOM 237 CG MET A1880 21.169 24.720 1.284 1.00 41.64 C ATOM 238 SD MET A1880 20.489 24.034 2.768 1.00 49.35 S ATOM 239 CE MET A1880 19.866 22.527 2.033 1.00 46.87 C ATOM 240 H MET A1880 22.744 26.729 1.173 1.00 0.00 H ATOM 241 N GLU A1881 25.433 24.876 0.457 1.00 32.67 N ATOM 242 CA GLU A1881 26.727 24.444 -0.057 1.00 32.07 C ATOM 243 C GLU A1881 27.873 24.788 0.881 1.00 33.16 C ATOM 244 O GLU A1881 28.899 24.100 0.879 1.00 34.15 O ATOM 245 CB GLU A1881 26.975 25.082 -1.427 1.00 32.79 C ATOM 246 CG GLU A1881 26.092 24.542 -2.537 1.00 29.50 C ATOM 247 CD GLU A1881 26.080 25.457 -3.772 1.00 36.77 C ATOM 248 OE1 GLU A1881 26.281 26.678 -3.629 1.00 38.67 O ATOM 249 OE2 GLU A1881 25.866 24.957 -4.891 1.00 36.81 O ATOM 250 H GLU A1881 24.861 25.539 -0.104 1.00 0.00 H ATOM 251 N THR A1882 27.742 25.861 1.659 1.00 31.18 N ATOM 252 CA THR A1882 28.823 26.320 2.515 1.00 40.38 C ATOM 253 C THR A1882 28.660 25.859 3.960 1.00 41.39 C ATOM 254 O THR A1882 29.537 26.119 4.785 1.00 43.18 O ATOM 255 CB THR A1882 28.938 27.852 2.436 1.00 40.38 C ATOM 256 OG1 THR A1882 27.691 28.455 2.792 1.00 41.51 O ATOM 257 CG2 THR A1882 29.267 28.263 1.022 1.00 39.67 C ATOM 258 HG1 THR A1882 26.987 28.148 2.167 1.00 0.00 H ATOM 259 H THR A1882 26.843 26.384 1.654 1.00 0.00 H ATOM 260 N HIS A1883 27.571 25.163 4.270 1.00 29.87 N ATOM 261 CA HIS A1883 27.386 24.579 5.591 1.00 33.31 C ATOM 262 C HIS A1883 28.473 23.545 5.870 1.00 36.92 C ATOM 263 O HIS A1883 28.897 22.806 4.979 1.00 37.41 O ATOM 264 CB HIS A1883 26.000 23.940 5.662 1.00 32.02 C ATOM 265 CG HIS A1883 25.559 23.559 7.040 1.00 34.30 C ATOM 266 ND1 HIS A1883 26.238 22.644 7.813 1.00 35.98 N ATOM 267 CD2 HIS A1883 24.475 23.930 7.762 1.00 33.41 C ATOM 268 CE1 HIS A1883 25.605 22.483 8.961 1.00 33.92 C ATOM 269 NE2 HIS A1883 24.528 23.246 8.952 1.00 35.85 N ATOM 270 H HIS A1883 26.832 25.032 3.550 1.00 0.00 H ATOM 271 N GLU A1884 28.932 23.503 7.121 1.00 38.18 N ATOM 272 CA GLU A1884 29.995 22.577 7.505 1.00 34.10 C ATOM 273 C GLU A1884 29.642 21.135 7.166 1.00 32.88 C ATOM 274 O GLU A1884 30.517 20.332 6.813 1.00 36.25 O ATOM 275 CB GLU A1884 30.275 22.713 9.008 1.00 39.71 C ATOM 276 CG GLU A1884 31.253 21.691 9.535 1.00 47.47 C ATOM 277 CD GLU A1884 31.432 21.745 11.036 1.00 53.91 C ATOM 278 OE1 GLU A1884 30.857 22.642 11.692 1.00 54.88 O ATOM 279 OE2 GLU A1884 32.151 20.868 11.559 1.00 57.84 O ATOM 280 H GLU A1884 28.526 24.140 7.836 1.00 0.00 H ATOM 281 N ASP A1885 28.364 20.780 7.275 1.00 30.94 N ATOM 282 CA ASP A1885 27.928 19.401 7.096 1.00 30.28 C ATOM 283 C ASP A1885 27.413 19.125 5.684 1.00 33.17 C ATOM 284 O ASP A1885 26.675 18.156 5.487 1.00 33.21 O ATOM 285 CB ASP A1885 26.838 19.046 8.108 1.00 28.27 C ATOM 286 CG ASP A1885 27.319 19.111 9.558 1.00 35.73 C ATOM 287 OD1 ASP A1885 28.546 19.050 9.810 1.00 35.13 O ATOM 288 OD2 ASP A1885 26.443 19.190 10.450 1.00 32.82 O ATOM 289 H ASP A1885 27.655 21.509 7.495 1.00 0.00 H ATOM 290 N ALA A1886 27.778 19.958 4.699 1.00 27.65 N ATOM 291 CA ALA A1886 27.347 19.728 3.326 1.00 28.97 C ATOM 292 C ALA A1886 28.196 18.701 2.589 1.00 32.91 C ATOM 293 O ALA A1886 27.792 18.252 1.511 1.00 36.15 O ATOM 294 CB ALA A1886 27.366 21.037 2.528 1.00 26.81 C ATOM 295 H ALA A1886 28.377 20.780 4.918 1.00 0.00 H ATOM 296 N TRP A1887 29.354 18.324 3.129 1.00 38.42 N ATOM 297 CA TRP A1887 30.278 17.494 2.368 1.00 37.07 C ATOM 298 C TRP A1887 29.686 16.186 1.835 1.00 37.35 C ATOM 299 O TRP A1887 30.123 15.762 0.751 1.00 38.96 O ATOM 300 CB TRP A1887 31.532 17.207 3.207 1.00 38.23 C ATOM 301 CG TRP A1887 31.245 16.552 4.514 1.00 36.00 C ATOM 302 CD1 TRP A1887 31.029 17.179 5.706 1.00 34.16 C ATOM 303 CD2 TRP A1887 31.144 15.145 4.773 1.00 37.04 C ATOM 304 NE1 TRP A1887 30.792 16.249 6.690 1.00 38.25 N ATOM 305 CE2 TRP A1887 30.854 14.994 6.143 1.00 37.31 C ATOM 306 CE3 TRP A1887 31.252 14.000 3.976 1.00 39.21 C ATOM 307 CZ2 TRP A1887 30.680 13.747 6.738 1.00 37.74 C ATOM 308 CZ3 TRP A1887 31.082 12.764 4.564 1.00 43.48 C ATOM 309 CH2 TRP A1887 30.795 12.645 5.936 1.00 42.51 C ATOM 310 HE1 TRP A1887 30.597 16.463 7.689 1.00 0.00 H ATOM 311 H TRP A1887 29.599 18.623 4.095 1.00 0.00 H ATOM 312 N PRO A1888 28.724 15.510 2.484 1.00 35.06 N ATOM 313 CA PRO A1888 28.193 14.282 1.865 1.00 36.19 C ATOM 314 C PRO A1888 27.350 14.551 0.633 1.00 35.07 C ATOM 315 O PRO A1888 27.074 13.609 -0.124 1.00 32.59 O ATOM 316 CB PRO A1888 27.340 13.652 2.974 1.00 34.01 C ATOM 317 CG PRO A1888 27.727 14.363 4.236 1.00 29.68 C ATOM 318 CD PRO A1888 28.078 15.749 3.788 1.00 31.80 C ATOM 319 N PHE A1889 26.926 15.798 0.423 1.00 28.27 N ATOM 320 CA PHE A1889 25.885 16.120 -0.545 1.00 31.35 C ATOM 321 C PHE A1889 26.349 17.047 -1.657 1.00 30.53 C ATOM 322 O PHE A1889 25.523 17.462 -2.478 1.00 32.46 O ATOM 323 CB PHE A1889 24.686 16.749 0.184 1.00 30.14 C ATOM 324 CG PHE A1889 24.299 16.007 1.449 1.00 31.01 C ATOM 325 CD1 PHE A1889 23.718 14.750 1.373 1.00 32.14 C ATOM 326 CD2 PHE A1889 24.531 16.560 2.701 1.00 34.50 C ATOM 327 CE1 PHE A1889 23.382 14.045 2.521 1.00 31.37 C ATOM 328 CE2 PHE A1889 24.187 15.863 3.856 1.00 31.07 C ATOM 329 CZ PHE A1889 23.611 14.612 3.766 1.00 30.14 C ATOM 330 H PHE A1889 27.355 16.571 0.971 1.00 0.00 H ATOM 331 N LEU A1890 27.636 17.402 -1.697 1.00 31.50 N ATOM 332 CA LEU A1890 28.109 18.362 -2.684 1.00 33.20 C ATOM 333 C LEU A1890 28.238 17.740 -4.069 1.00 35.95 C ATOM 334 O LEU A1890 28.115 18.453 -5.067 1.00 36.63 O ATOM 335 CB LEU A1890 29.451 18.958 -2.249 1.00 35.33 C ATOM 336 CG LEU A1890 29.420 19.850 -0.999 1.00 39.16 C ATOM 337 CD1 LEU A1890 30.822 20.270 -0.599 1.00 35.87 C ATOM 338 CD2 LEU A1890 28.543 21.069 -1.266 1.00 36.87 C ATOM 339 H LEU A1890 28.306 16.989 -1.017 1.00 0.00 H ATOM 340 N LEU A1891 28.470 16.433 -4.149 1.00 37.01 N ATOM 341 CA LEU A1891 28.684 15.711 -5.395 1.00 35.01 C ATOM 342 C LEU A1891 27.785 14.489 -5.447 1.00 37.26 C ATOM 343 O LEU A1891 27.340 13.995 -4.407 1.00 34.17 O ATOM 344 CB LEU A1891 30.147 15.263 -5.534 1.00 42.66 C ATOM 345 CG LEU A1891 31.232 16.333 -5.584 1.00 43.42 C ATOM 346 CD1 LEU A1891 32.574 15.669 -5.843 1.00 44.97 C ATOM 347 CD2 LEU A1891 30.915 17.352 -6.656 1.00 41.12 C ATOM 348 H LEU A1891 28.501 15.890 -3.262 1.00 0.00 H ATOM 349 N PRO A1892 27.519 13.955 -6.639 1.00 35.05 N ATOM 350 CA PRO A1892 26.719 12.728 -6.725 1.00 31.05 C ATOM 351 C PRO A1892 27.400 11.588 -5.982 1.00 36.18 C ATOM 352 O PRO A1892 28.628 11.484 -5.962 1.00 41.89 O ATOM 353 CB PRO A1892 26.651 12.442 -8.234 1.00 29.26 C ATOM 354 CG PRO A1892 26.990 13.714 -8.894 1.00 37.61 C ATOM 355 CD PRO A1892 27.879 14.485 -7.967 1.00 36.71 C ATOM 356 N VAL A1893 26.589 10.730 -5.359 1.00 33.11 N ATOM 357 CA VAL A1893 27.123 9.483 -4.821 1.00 31.64 C ATOM 358 C VAL A1893 27.659 8.664 -5.985 1.00 37.78 C ATOM 359 O VAL A1893 27.041 8.598 -7.054 1.00 35.17 O ATOM 360 CB VAL A1893 26.042 8.714 -4.043 1.00 38.38 C ATOM 361 CG1 VAL A1893 26.581 7.370 -3.525 1.00 40.94 C ATOM 362 CG2 VAL A1893 25.504 9.555 -2.885 1.00 33.71 C ATOM 363 H VAL A1893 25.578 10.950 -5.257 1.00 0.00 H ATOM 364 N ASN A1894 28.822 8.049 -5.792 1.00 44.84 N ATOM 365 CA ASN A1894 29.505 7.337 -6.872 1.00 46.67 C ATOM 366 C ASN A1894 28.833 5.982 -7.075 1.00 49.63 C ATOM 367 O ASN A1894 29.102 5.018 -6.348 1.00 45.00 O ATOM 368 CB ASN A1894 30.987 7.196 -6.547 1.00 48.79 C ATOM 369 CG ASN A1894 31.793 6.693 -7.722 1.00 54.56 C ATOM 370 OD1 ASN A1894 31.338 5.839 -8.485 1.00 48.87 O ATOM 371 ND2 ASN A1894 33.000 7.221 -7.875 1.00 59.22 N ATOM 372 HD22 ASN A1894 33.342 7.940 -7.205 1.00 0.00 H ATOM 373 HD21 ASN A1894 33.605 6.916 -8.665 1.00 0.00 H ATOM 374 H ASN A1894 29.258 8.075 -4.848 1.00 0.00 H ATOM 375 N LEU A1895 27.963 5.899 -8.080 1.00 45.51 N ATOM 376 CA LEU A1895 27.197 4.674 -8.289 1.00 46.78 C ATOM 377 C LEU A1895 28.068 3.472 -8.617 1.00 50.14 C ATOM 378 O LEU A1895 27.571 2.343 -8.564 1.00 51.81 O ATOM 379 CB LEU A1895 26.175 4.873 -9.403 1.00 44.94 C ATOM 380 CG LEU A1895 25.151 5.975 -9.149 1.00 44.01 C ATOM 381 CD1 LEU A1895 24.113 5.953 -10.260 1.00 47.48 C ATOM 382 CD2 LEU A1895 24.501 5.825 -7.775 1.00 39.15 C ATOM 383 H LEU A1895 27.829 6.709 -8.718 1.00 0.00 H ATOM 384 N LYS A1896 29.341 3.676 -8.947 1.00 55.38 N ATOM 385 CA LYS A1896 30.244 2.577 -9.257 1.00 59.56 C ATOM 386 C LYS A1896 31.080 2.142 -8.062 1.00 59.37 C ATOM 387 O LYS A1896 31.699 1.074 -8.116 1.00 62.33 O ATOM 388 CB LYS A1896 31.167 2.960 -10.423 1.00 60.25 C ATOM 389 CG LYS A1896 30.419 3.318 -11.704 1.00 67.10 C ATOM 390 CD LYS A1896 29.506 2.177 -12.141 1.00 75.55 C ATOM 391 CE LYS A1896 28.070 2.642 -12.386 1.00 74.46 C ATOM 392 NZ LYS A1896 27.148 1.489 -12.640 1.00 78.19 N ATOM 393 HZ1 LYS A1896 27.471 0.967 -13.480 1.00 0.00 H ATOM 394 HZ2 LYS A1896 27.151 0.856 -11.815 1.00 0.00 H ATOM 395 HZ3 LYS A1896 26.185 1.846 -12.801 1.00 0.00 H ATOM 396 H LYS A1896 29.702 4.651 -8.985 1.00 0.00 H ATOM 397 N LEU A1897 31.105 2.928 -6.985 1.00 50.58 N ATOM 398 CA LEU A1897 31.864 2.571 -5.797 1.00 52.79 C ATOM 399 C LEU A1897 31.002 2.186 -4.607 1.00 50.86 C ATOM 400 O LEU A1897 31.524 1.585 -3.667 1.00 53.77 O ATOM 401 CB LEU A1897 32.777 3.728 -5.365 1.00 57.66 C ATOM 402 CG LEU A1897 33.851 4.235 -6.329 1.00 67.25 C ATOM 403 CD1 LEU A1897 34.707 5.300 -5.652 1.00 70.37 C ATOM 404 CD2 LEU A1897 34.709 3.094 -6.842 1.00 71.61 C ATOM 405 H LEU A1897 30.568 3.819 -6.995 1.00 0.00 H ATOM 406 N VAL A1898 29.719 2.522 -4.609 1.00 42.98 N ATOM 407 CA VAL A1898 28.865 2.328 -3.440 1.00 40.74 C ATOM 408 C VAL A1898 27.915 1.173 -3.743 1.00 44.09 C ATOM 409 O VAL A1898 26.999 1.324 -4.565 1.00 43.46 O ATOM 410 CB VAL A1898 28.096 3.604 -3.078 1.00 44.86 C ATOM 411 CG1 VAL A1898 27.245 3.371 -1.835 1.00 48.36 C ATOM 412 CG2 VAL A1898 29.070 4.752 -2.857 1.00 39.89 C ATOM 413 H VAL A1898 29.308 2.937 -5.470 1.00 0.00 H ATOM 414 N PRO A1899 28.092 0.009 -3.116 1.00 42.63 N ATOM 415 CA PRO A1899 27.187 -1.114 -3.386 1.00 48.43 C ATOM 416 C PRO A1899 25.760 -0.759 -3.006 1.00 44.48 C ATOM 417 O PRO A1899 25.514 -0.082 -2.007 1.00 46.39 O ATOM 418 CB PRO A1899 27.735 -2.243 -2.500 1.00 54.55 C ATOM 419 CG PRO A1899 29.111 -1.824 -2.112 1.00 57.60 C ATOM 420 CD PRO A1899 29.105 -0.320 -2.103 1.00 52.29 C ATOM 421 N GLY A1900 24.816 -1.211 -3.827 1.00 44.89 N ATOM 422 CA GLY A1900 23.412 -1.061 -3.529 1.00 44.62 C ATOM 423 C GLY A1900 22.806 0.283 -3.868 1.00 41.85 C ATOM 424 O GLY A1900 21.580 0.371 -4.016 1.00 46.22 O ATOM 425 H GLY A1900 25.098 -1.686 -4.708 1.00 0.00 H ATOM 426 N TYR A1901 23.611 1.332 -4.017 1.00 37.03 N ATOM 427 CA TYR A1901 23.024 2.670 -4.099 1.00 40.73 C ATOM 428 C TYR A1901 22.172 2.831 -5.353 1.00 42.69 C ATOM 429 O TYR A1901 21.011 3.257 -5.276 1.00 36.89 O ATOM 430 CB TYR A1901 24.104 3.743 -4.041 1.00 41.43 C ATOM 431 CG TYR A1901 23.523 5.065 -3.593 1.00 36.29 C ATOM 432 CD1 TYR A1901 23.124 6.011 -4.523 1.00 34.50 C ATOM 433 CD2 TYR A1901 23.322 5.339 -2.241 1.00 36.26 C ATOM 434 CE1 TYR A1901 22.575 7.222 -4.125 1.00 38.96 C ATOM 435 CE2 TYR A1901 22.766 6.547 -1.830 1.00 40.61 C ATOM 436 CZ TYR A1901 22.390 7.480 -2.781 1.00 38.91 C ATOM 437 OH TYR A1901 21.841 8.687 -2.397 1.00 42.30 O ATOM 438 HH TYR A1901 21.634 9.225 -3.202 1.00 0.00 H ATOM 439 H TYR A1901 24.641 1.203 -4.074 1.00 0.00 H ATOM 440 N LYS A1902 22.717 2.459 -6.514 1.00 42.81 N ATOM 441 CA LYS A1902 21.962 2.593 -7.753 1.00 44.73 C ATOM 442 C LYS A1902 20.697 1.743 -7.725 1.00 43.07 C ATOM 443 O LYS A1902 19.645 2.158 -8.229 1.00 42.53 O ATOM 444 CB LYS A1902 22.861 2.222 -8.935 1.00 47.83 C ATOM 445 CG LYS A1902 22.236 2.356 -10.319 1.00 53.05 C ATOM 446 CD LYS A1902 23.318 2.220 -11.402 1.00 59.18 C ATOM 447 CE LYS A1902 22.756 1.767 -12.750 1.00 66.06 C ATOM 448 NZ LYS A1902 21.685 2.662 -13.261 1.00 66.55 N ATOM 449 HZ1 LYS A1902 20.899 2.683 -12.581 1.00 0.00 H ATOM 450 HZ2 LYS A1902 22.066 3.622 -13.383 1.00 0.00 H ATOM 451 HZ3 LYS A1902 21.344 2.305 -14.176 1.00 0.00 H ATOM 452 H LYS A1902 23.682 2.073 -6.534 1.00 0.00 H ATOM 453 N LYS A1903 20.776 0.550 -7.137 1.00 42.81 N ATOM 454 CA LYS A1903 19.612 -0.328 -7.100 1.00 45.93 C ATOM 455 C LYS A1903 18.554 0.185 -6.131 1.00 44.93 C ATOM 456 O LYS A1903 17.354 0.107 -6.416 1.00 48.93 O ATOM 457 CB LYS A1903 20.035 -1.747 -6.718 1.00 52.46 C ATOM 458 CG LYS A1903 18.896 -2.748 -6.742 1.00 54.22 C ATOM 459 CD LYS A1903 18.282 -2.836 -8.130 1.00 52.13 C ATOM 460 CE LYS A1903 17.189 -3.898 -8.209 1.00 47.01 C ATOM 461 NZ LYS A1903 17.728 -5.270 -8.188 1.00 58.93 N ATOM 462 HZ1 LYS A1903 18.363 -5.404 -9.000 1.00 0.00 H ATOM 463 HZ2 LYS A1903 18.256 -5.420 -7.305 1.00 0.00 H ATOM 464 HZ3 LYS A1903 16.943 -5.950 -8.244 1.00 0.00 H ATOM 465 H LYS A1903 21.670 0.244 -6.703 1.00 0.00 H ATOM 466 N VAL A1904 18.976 0.704 -4.983 1.00 42.00 N ATOM 467 CA VAL A1904 18.034 1.081 -3.932 1.00 39.23 C ATOM 468 C VAL A1904 17.486 2.494 -4.133 1.00 46.05 C ATOM 469 O VAL A1904 16.302 2.745 -3.892 1.00 46.89 O ATOM 470 CB VAL A1904 18.712 0.921 -2.559 1.00 36.74 C ATOM 471 CG1 VAL A1904 17.838 1.484 -1.447 1.00 37.16 C ATOM 472 CG2 VAL A1904 19.018 -0.565 -2.287 1.00 42.14 C ATOM 473 H VAL A1904 19.995 0.844 -4.830 1.00 0.00 H ATOM 474 N ILE A1905 18.307 3.435 -4.595 1.00 40.08 N ATOM 475 CA ILE A1905 17.939 4.849 -4.620 1.00 36.60 C ATOM 476 C ILE A1905 17.515 5.172 -6.046 1.00 38.27 C ATOM 477 O ILE A1905 18.350 5.334 -6.936 1.00 39.46 O ATOM 478 CB ILE A1905 19.085 5.742 -4.137 1.00 37.91 C ATOM 479 CG1 ILE A1905 19.467 5.383 -2.695 1.00 37.22 C ATOM 480 CG2 ILE A1905 18.724 7.249 -4.277 1.00 32.85 C ATOM 481 CD1 ILE A1905 18.332 5.532 -1.668 1.00 35.79 C ATOM 482 H ILE A1905 19.243 3.154 -4.951 1.00 0.00 H ATOM 483 N LYS A1906 16.204 5.272 -6.264 1.00 40.49 N ATOM 484 CA LYS A1906 15.689 5.337 -7.625 1.00 40.60 C ATOM 485 C LYS A1906 15.927 6.696 -8.270 1.00 46.18 C ATOM 486 O LYS A1906 15.997 6.779 -9.499 1.00 42.52 O ATOM 487 CB LYS A1906 14.201 4.986 -7.639 1.00 49.81 C ATOM 488 CG LYS A1906 13.911 3.515 -7.254 1.00 55.23 C ATOM 489 CD LYS A1906 14.905 2.558 -7.915 1.00 62.66 C ATOM 490 CE LYS A1906 14.530 1.094 -7.693 1.00 75.07 C ATOM 491 NZ LYS A1906 14.666 0.685 -6.262 1.00 81.16 N ATOM 492 HZ1 LYS A1906 15.652 0.816 -5.958 1.00 0.00 H ATOM 493 HZ2 LYS A1906 14.040 1.271 -5.674 1.00 0.00 H ATOM 494 HZ3 LYS A1906 14.401 -0.316 -6.162 1.00 0.00 H ATOM 495 H LYS A1906 15.546 5.304 -5.459 1.00 0.00 H ATOM 496 N LYS A1907 16.058 7.763 -7.478 1.00 41.54 N ATOM 497 CA LYS A1907 16.297 9.113 -7.998 1.00 40.81 C ATOM 498 C LYS A1907 17.407 9.769 -7.189 1.00 34.81 C ATOM 499 O LYS A1907 17.139 10.506 -6.231 1.00 38.40 O ATOM 500 CB LYS A1907 15.033 9.969 -7.942 1.00 40.27 C ATOM 501 CG LYS A1907 13.833 9.420 -8.680 1.00 57.97 C ATOM 502 CD LYS A1907 12.565 10.046 -8.111 1.00 71.83 C ATOM 503 CE LYS A1907 11.660 10.621 -9.187 1.00 81.32 C ATOM 504 NZ LYS A1907 10.483 11.301 -8.570 1.00 85.38 N ATOM 505 HZ1 LYS A1907 9.944 10.614 -8.005 1.00 0.00 H ATOM 506 HZ2 LYS A1907 10.813 12.073 -7.956 1.00 0.00 H ATOM 507 HZ3 LYS A1907 9.875 11.688 -9.320 1.00 0.00 H ATOM 508 H LYS A1907 15.988 7.631 -6.449 1.00 0.00 H ATOM 509 N PRO A1908 18.668 9.505 -7.528 1.00 38.12 N ATOM 510 CA PRO A1908 19.766 10.173 -6.827 1.00 34.80 C ATOM 511 C PRO A1908 19.706 11.677 -7.044 1.00 34.32 C ATOM 512 O PRO A1908 19.255 12.159 -8.084 1.00 31.56 O ATOM 513 CB PRO A1908 21.023 9.566 -7.460 1.00 33.81 C ATOM 514 CG PRO A1908 20.563 8.266 -8.065 1.00 38.27 C ATOM 515 CD PRO A1908 19.152 8.527 -8.517 1.00 38.22 C ATOM 516 N MET A1909 20.155 12.424 -6.041 1.00 29.12 N ATOM 517 CA MET A1909 20.169 13.878 -6.164 1.00 29.73 C ATOM 518 C MET A1909 21.227 14.421 -5.216 1.00 33.55 C ATOM 519 O MET A1909 21.525 13.804 -4.188 1.00 32.26 O ATOM 520 CB MET A1909 18.788 14.478 -5.870 1.00 32.42 C ATOM 521 CG MET A1909 18.692 16.003 -6.032 1.00 26.91 C ATOM 522 SD MET A1909 19.194 16.535 -7.687 1.00 32.17 S ATOM 523 CE MET A1909 18.063 15.579 -8.701 1.00 33.67 C ATOM 524 H MET A1909 20.496 11.973 -5.169 1.00 0.00 H ATOM 525 N ASP A1910 21.791 15.577 -5.574 1.00 31.64 N ATOM 526 CA ASP A1910 22.858 16.192 -4.793 1.00 32.60 C ATOM 527 C ASP A1910 22.892 17.687 -5.098 1.00 31.73 C ATOM 528 O ASP A1910 22.258 18.164 -6.039 1.00 32.74 O ATOM 529 CB ASP A1910 24.214 15.556 -5.091 1.00 29.77 C ATOM 530 CG ASP A1910 24.704 15.893 -6.490 1.00 39.02 C ATOM 531 OD1 ASP A1910 24.129 15.377 -7.479 1.00 36.95 O ATOM 532 OD2 ASP A1910 25.643 16.708 -6.601 1.00 39.05 O ATOM 533 H ASP A1910 21.459 16.054 -6.437 1.00 0.00 H ATOM 534 N PHE A1911 23.671 18.419 -4.296 1.00 29.73 N ATOM 535 CA PHE A1911 23.678 19.877 -4.414 1.00 26.77 C ATOM 536 C PHE A1911 24.208 20.333 -5.774 1.00 30.55 C ATOM 537 O PHE A1911 23.710 21.311 -6.339 1.00 32.31 O ATOM 538 CB PHE A1911 24.503 20.501 -3.290 1.00 28.15 C ATOM 539 CG PHE A1911 23.888 20.346 -1.906 1.00 34.19 C ATOM 540 CD1 PHE A1911 22.597 19.860 -1.744 1.00 32.58 C ATOM 541 CD2 PHE A1911 24.610 20.708 -0.769 1.00 31.65 C ATOM 542 CE1 PHE A1911 22.040 19.722 -0.464 1.00 30.05 C ATOM 543 CE2 PHE A1911 24.068 20.571 0.506 1.00 29.73 C ATOM 544 CZ PHE A1911 22.784 20.083 0.662 1.00 30.85 C ATOM 545 H PHE A1911 24.272 17.952 -3.588 1.00 0.00 H ATOM 546 N SER A1912 25.224 19.656 -6.312 1.00 33.86 N ATOM 547 CA SER A1912 25.770 20.114 -7.587 1.00 35.15 C ATOM 548 C SER A1912 24.757 19.947 -8.711 1.00 34.28 C ATOM 549 O SER A1912 24.665 20.800 -9.603 1.00 35.33 O ATOM 550 CB SER A1912 27.065 19.382 -7.919 1.00 37.45 C ATOM 551 OG SER A1912 26.794 18.080 -8.383 1.00 35.41 O ATOM 552 HG SER A1912 26.310 17.575 -7.682 1.00 0.00 H ATOM 553 H SER A1912 25.618 18.821 -5.834 1.00 0.00 H ATOM 554 N THR A1913 23.977 18.867 -8.680 1.00 29.44 N ATOM 555 CA THR A1913 22.941 18.682 -9.692 1.00 30.42 C ATOM 556 C THR A1913 21.847 19.734 -9.539 1.00 34.00 C ATOM 557 O THR A1913 21.398 20.325 -10.529 1.00 32.18 O ATOM 558 CB THR A1913 22.381 17.260 -9.607 1.00 35.65 C ATOM 559 OG1 THR A1913 23.442 16.327 -9.833 1.00 32.13 O ATOM 560 CG2 THR A1913 21.296 17.021 -10.655 1.00 33.44 C ATOM 561 HG1 THR A1913 24.142 16.452 -9.144 1.00 0.00 H ATOM 562 H THR A1913 24.106 18.155 -7.934 1.00 0.00 H ATOM 563 N ILE A1914 21.447 20.020 -8.304 1.00 28.54 N ATOM 564 CA ILE A1914 20.476 21.083 -8.065 1.00 28.46 C ATOM 565 C ILE A1914 21.012 22.420 -8.566 1.00 32.14 C ATOM 566 O ILE A1914 20.289 23.183 -9.220 1.00 31.71 O ATOM 567 CB ILE A1914 20.103 21.155 -6.569 1.00 25.85 C ATOM 568 CG1 ILE A1914 19.501 19.823 -6.101 1.00 28.49 C ATOM 569 CG2 ILE A1914 19.142 22.332 -6.320 1.00 21.02 C ATOM 570 CD1 ILE A1914 19.264 19.762 -4.573 1.00 29.38 C ATOM 571 H ILE A1914 21.829 19.481 -7.501 1.00 0.00 H ATOM 572 N ARG A1915 22.286 22.720 -8.273 1.00 28.32 N ATOM 573 CA ARG A1915 22.882 23.982 -8.717 1.00 30.42 C ATOM 574 C ARG A1915 22.903 24.071 -10.243 1.00 33.46 C ATOM 575 O ARG A1915 22.592 25.119 -10.822 1.00 34.09 O ATOM 576 CB ARG A1915 24.298 24.127 -8.151 1.00 32.82 C ATOM 577 CG ARG A1915 25.080 25.337 -8.695 1.00 30.46 C ATOM 578 CD ARG A1915 24.436 26.646 -8.323 1.00 30.56 C ATOM 579 NE ARG A1915 24.588 26.973 -6.896 1.00 30.65 N ATOM 580 CZ ARG A1915 24.026 28.030 -6.320 1.00 33.90 C ATOM 581 NH1 ARG A1915 23.278 28.854 -7.040 1.00 30.73 N ATOM 582 NH2 ARG A1915 24.213 28.276 -5.031 1.00 35.85 N ATOM 583 HE ARG A1915 25.167 26.342 -6.306 1.00 0.00 H ATOM 584 HH12 ARG A1915 22.837 29.682 -6.591 1.00 0.00 H ATOM 585 HH11 ARG A1915 23.132 28.672 -8.054 1.00 0.00 H ATOM 586 HH22 ARG A1915 23.768 29.106 -4.590 1.00 0.00 H ATOM 587 HH21 ARG A1915 24.804 27.639 -4.460 1.00 0.00 H ATOM 588 H ARG A1915 22.858 22.048 -7.723 1.00 0.00 H ATOM 589 N GLU A1916 23.268 22.978 -10.911 1.00 26.92 N ATOM 590 CA GLU A1916 23.241 22.958 -12.375 1.00 33.78 C ATOM 591 C GLU A1916 21.828 23.186 -12.898 1.00 33.79 C ATOM 592 O GLU A1916 21.613 23.990 -13.817 1.00 33.88 O ATOM 593 CB GLU A1916 23.796 21.629 -12.894 1.00 32.35 C ATOM 594 CG GLU A1916 23.882 21.559 -14.432 1.00 40.43 C ATOM 595 CD GLU A1916 24.817 22.607 -15.035 1.00 50.31 C ATOM 596 OE1 GLU A1916 25.860 22.910 -14.418 1.00 52.22 O ATOM 597 OE2 GLU A1916 24.510 23.128 -16.135 1.00 52.33 O ATOM 598 H GLU A1916 23.574 22.132 -10.389 1.00 0.00 H ATOM 599 N LYS A1917 20.845 22.496 -12.308 1.00 30.11 N ATOM 600 CA LYS A1917 19.463 22.654 -12.748 1.00 35.02 C ATOM 601 C LYS A1917 18.962 24.075 -12.507 1.00 34.42 C ATOM 602 O LYS A1917 18.239 24.639 -13.339 1.00 33.99 O ATOM 603 CB LYS A1917 18.572 21.632 -12.042 1.00 32.86 C ATOM 604 CG LYS A1917 18.789 20.196 -12.542 1.00 34.14 C ATOM 605 CD LYS A1917 17.992 19.183 -11.730 1.00 33.94 C ATOM 606 CE LYS A1917 16.500 19.271 -12.031 1.00 37.60 C ATOM 607 NZ LYS A1917 15.773 18.121 -11.384 1.00 36.93 N ATOM 608 HZ1 LYS A1917 16.145 17.224 -11.756 1.00 0.00 H ATOM 609 HZ2 LYS A1917 15.917 18.157 -10.355 1.00 0.00 H ATOM 610 HZ3 LYS A1917 14.757 18.191 -11.596 1.00 0.00 H ATOM 611 H LYS A1917 21.068 21.842 -11.530 1.00 0.00 H ATOM 612 N LEU A1918 19.339 24.676 -11.379 1.00 31.22 N ATOM 613 CA LEU A1918 18.918 26.048 -11.111 1.00 29.65 C ATOM 614 C LEU A1918 19.571 27.019 -12.089 1.00 35.41 C ATOM 615 O LEU A1918 18.920 27.949 -12.579 1.00 42.11 O ATOM 616 CB LEU A1918 19.253 26.414 -9.665 1.00 29.85 C ATOM 617 CG LEU A1918 18.649 27.687 -9.059 1.00 32.27 C ATOM 618 CD1 LEU A1918 17.135 27.607 -8.975 1.00 28.67 C ATOM 619 CD2 LEU A1918 19.254 27.920 -7.673 1.00 29.80 C ATOM 620 H LEU A1918 19.932 24.169 -10.691 1.00 0.00 H ATOM 621 N SER A1919 20.848 26.800 -12.405 1.00 33.89 N ATOM 622 CA SER A1919 21.585 27.667 -13.315 1.00 33.79 C ATOM 623 C SER A1919 21.146 27.528 -14.775 1.00 37.05 C ATOM 624 O SER A1919 21.554 28.350 -15.599 1.00 35.85 O ATOM 625 CB SER A1919 23.087 27.371 -13.211 1.00 36.63 C ATOM 626 OG SER A1919 23.608 27.750 -11.951 1.00 37.49 O ATOM 627 HG SER A1919 24.576 27.545 -11.920 1.00 0.00 H ATOM 628 H SER A1919 21.335 25.982 -11.987 1.00 0.00 H ATOM 629 N SER A1920 20.336 26.523 -15.119 1.00 33.20 N ATOM 630 CA SER A1920 19.985 26.249 -16.513 1.00 33.31 C ATOM 631 C SER A1920 18.474 26.206 -16.735 1.00 34.36 C ATOM 632 O SER A1920 18.014 25.613 -17.719 1.00 32.21 O ATOM 633 CB SER A1920 20.631 24.939 -16.984 1.00 33.48 C ATOM 634 OG SER A1920 20.214 23.831 -16.195 1.00 31.71 O ATOM 635 HG SER A1920 20.472 23.984 -15.251 1.00 0.00 H ATOM 636 H SER A1920 19.942 25.916 -14.372 1.00 0.00 H ATOM 637 N GLY A1921 17.696 26.809 -15.837 1.00 30.66 N ATOM 638 CA GLY A1921 16.266 26.938 -16.039 1.00 30.57 C ATOM 639 C GLY A1921 15.478 25.652 -15.952 1.00 37.23 C ATOM 640 O GLY A1921 14.408 25.550 -16.561 1.00 34.95 O ATOM 641 H GLY A1921 18.124 27.196 -14.972 1.00 0.00 H ATOM 642 N GLN A1922 15.970 24.660 -15.211 1.00 30.97 N ATOM 643 CA GLN A1922 15.292 23.373 -15.138 1.00 36.94 C ATOM 644 C GLN A1922 14.314 23.270 -13.969 1.00 40.58 C ATOM 645 O GLN A1922 13.667 22.231 -13.816 1.00 34.29 O ATOM 646 CB GLN A1922 16.325 22.241 -15.074 1.00 35.42 C ATOM 647 CG GLN A1922 17.227 22.200 -16.318 1.00 40.98 C ATOM 648 CD GLN A1922 18.064 20.938 -16.413 1.00 42.16 C ATOM 649 OE1 GLN A1922 17.539 19.830 -16.366 1.00 43.46 O ATOM 650 NE2 GLN A1922 19.371 21.104 -16.550 1.00 39.18 N ATOM 651 HE22 GLN A1922 19.773 22.063 -16.585 1.00 0.00 H ATOM 652 HE21 GLN A1922 19.996 20.276 -16.622 1.00 0.00 H ATOM 653 H GLN A1922 16.850 24.807 -14.677 1.00 0.00 H ATOM 654 N TYR A1923 14.171 24.318 -13.155 1.00 33.94 N ATOM 655 CA TYR A1923 13.119 24.350 -12.143 1.00 33.04 C ATOM 656 C TYR A1923 12.016 25.295 -12.592 1.00 31.70 C ATOM 657 O TYR A1923 12.259 26.504 -12.729 1.00 35.80 O ATOM 658 CB TYR A1923 13.669 24.772 -10.773 1.00 29.21 C ATOM 659 CG TYR A1923 14.574 23.710 -10.179 1.00 31.29 C ATOM 660 CD1 TYR A1923 14.091 22.431 -9.916 1.00 30.99 C ATOM 661 CD2 TYR A1923 15.910 23.981 -9.901 1.00 31.06 C ATOM 662 CE1 TYR A1923 14.917 21.443 -9.387 1.00 30.04 C ATOM 663 CE2 TYR A1923 16.742 22.999 -9.367 1.00 27.64 C ATOM 664 CZ TYR A1923 16.241 21.738 -9.125 1.00 25.27 C ATOM 665 OH TYR A1923 17.066 20.775 -8.610 1.00 32.59 O ATOM 666 HH TYR A1923 16.558 19.933 -8.496 1.00 0.00 H ATOM 667 H TYR A1923 14.820 25.126 -13.243 1.00 0.00 H ATOM 668 N PRO A1924 10.806 24.788 -12.847 1.00 35.59 N ATOM 669 CA PRO A1924 9.715 25.673 -13.287 1.00 42.84 C ATOM 670 C PRO A1924 9.210 26.595 -12.192 1.00 43.98 C ATOM 671 O PRO A1924 8.693 27.679 -12.496 1.00 40.53 O ATOM 672 CB PRO A1924 8.621 24.693 -13.733 1.00 48.67 C ATOM 673 CG PRO A1924 9.282 23.341 -13.803 1.00 46.96 C ATOM 674 CD PRO A1924 10.413 23.369 -12.845 1.00 36.55 C ATOM 675 N ASN A1925 9.336 26.197 -10.930 1.00 39.85 N ATOM 676 CA ASN A1925 8.809 26.976 -9.817 1.00 40.67 C ATOM 677 C ASN A1925 9.585 26.593 -8.565 1.00 39.65 C ATOM 678 O ASN A1925 10.338 25.618 -8.552 1.00 38.22 O ATOM 679 CB ASN A1925 7.303 26.741 -9.640 1.00 40.95 C ATOM 680 CG ASN A1925 6.957 25.273 -9.467 1.00 44.72 C ATOM 681 OD1 ASN A1925 7.620 24.549 -8.727 1.00 48.17 O ATOM 682 ND2 ASN A1925 5.921 24.823 -10.161 1.00 44.80 N ATOM 683 HD22 ASN A1925 5.387 25.470 -10.776 1.00 0.00 H ATOM 684 HD21 ASN A1925 5.643 23.823 -10.091 1.00 0.00 H ATOM 685 H ASN A1925 9.826 25.302 -10.731 1.00 0.00 H ATOM 686 N LEU A1926 9.379 27.359 -7.497 1.00 41.47 N ATOM 687 CA LEU A1926 10.174 27.125 -6.298 1.00 37.70 C ATOM 688 C LEU A1926 9.812 25.801 -5.636 1.00 40.25 C ATOM 689 O LEU A1926 10.664 25.189 -4.984 1.00 42.54 O ATOM 690 CB LEU A1926 10.036 28.301 -5.325 1.00 42.37 C ATOM 691 CG LEU A1926 8.768 28.583 -4.519 1.00 45.46 C ATOM 692 CD1 LEU A1926 9.006 29.799 -3.643 1.00 42.29 C ATOM 693 CD2 LEU A1926 7.555 28.817 -5.401 1.00 45.74 C ATOM 694 H LEU A1926 8.662 28.112 -7.517 1.00 0.00 H ATOM 695 N GLU A1927 8.579 25.322 -5.822 1.00 42.94 N ATOM 696 CA GLU A1927 8.210 24.066 -5.186 1.00 45.02 C ATOM 697 C GLU A1927 8.964 22.886 -5.786 1.00 44.85 C ATOM 698 O GLU A1927 9.307 21.948 -5.059 1.00 45.11 O ATOM 699 CB GLU A1927 6.697 23.858 -5.262 1.00 49.62 C ATOM 700 CG GLU A1927 5.882 24.970 -4.585 1.00 52.23 C ATOM 701 CD GLU A1927 6.183 25.135 -3.094 1.00 53.25 C ATOM 702 OE1 GLU A1927 6.663 24.170 -2.459 1.00 54.63 O ATOM 703 OE2 GLU A1927 5.930 26.235 -2.552 1.00 53.13 O ATOM 704 H GLU A1927 7.894 25.838 -6.411 1.00 0.00 H ATOM 705 N THR A1928 9.260 22.914 -7.094 1.00 38.14 N ATOM 706 CA THR A1928 10.049 21.837 -7.684 1.00 34.83 C ATOM 707 C THR A1928 11.496 21.890 -7.215 1.00 32.48 C ATOM 708 O THR A1928 12.150 20.849 -7.120 1.00 32.96 O ATOM 709 CB THR A1928 9.996 21.890 -9.217 1.00 40.13 C ATOM 710 OG1 THR A1928 10.391 23.191 -9.675 1.00 46.60 O ATOM 711 CG2 THR A1928 8.599 21.591 -9.718 1.00 40.10 C ATOM 712 HG1 THR A1928 9.776 23.871 -9.303 1.00 0.00 H ATOM 713 H THR A1928 8.928 23.702 -7.687 1.00 0.00 H ATOM 714 N PHE A1929 12.017 23.087 -6.936 1.00 30.31 N ATOM 715 CA PHE A1929 13.340 23.199 -6.324 1.00 30.24 C ATOM 716 C PHE A1929 13.360 22.554 -4.936 1.00 37.67 C ATOM 717 O PHE A1929 14.251 21.753 -4.620 1.00 35.36 O ATOM 718 CB PHE A1929 13.744 24.678 -6.256 1.00 28.38 C ATOM 719 CG PHE A1929 14.937 24.961 -5.378 1.00 30.38 C ATOM 720 CD1 PHE A1929 16.223 24.890 -5.885 1.00 29.71 C ATOM 721 CD2 PHE A1929 14.765 25.358 -4.063 1.00 29.35 C ATOM 722 CE1 PHE A1929 17.320 25.174 -5.084 1.00 30.74 C ATOM 723 CE2 PHE A1929 15.863 25.647 -3.246 1.00 34.22 C ATOM 724 CZ PHE A1929 17.140 25.561 -3.763 1.00 31.31 C ATOM 725 H PHE A1929 11.477 23.948 -7.156 1.00 0.00 H ATOM 726 N ALA A1930 12.371 22.875 -4.096 1.00 35.24 N ATOM 727 CA ALA A1930 12.330 22.286 -2.757 1.00 36.53 C ATOM 728 C ALA A1930 12.167 20.769 -2.808 1.00 38.35 C ATOM 729 O ALA A1930 12.657 20.061 -1.914 1.00 37.44 O ATOM 730 CB ALA A1930 11.201 22.912 -1.939 1.00 33.09 C ATOM 731 H ALA A1930 11.631 23.543 -4.394 1.00 0.00 H ATOM 732 N LEU A1931 11.477 20.253 -3.829 1.00 38.44 N ATOM 733 CA LEU A1931 11.337 18.804 -3.963 1.00 37.48 C ATOM 734 C LEU A1931 12.696 18.133 -4.133 1.00 39.54 C ATOM 735 O LEU A1931 12.961 17.096 -3.519 1.00 37.85 O ATOM 736 CB LEU A1931 10.427 18.461 -5.146 1.00 42.99 C ATOM 737 CG LEU A1931 8.909 18.605 -4.987 1.00 47.11 C ATOM 738 CD1 LEU A1931 8.219 18.257 -6.296 1.00 45.44 C ATOM 739 CD2 LEU A1931 8.388 17.716 -3.864 1.00 55.46 C ATOM 740 H LEU A1931 11.038 20.884 -4.530 1.00 0.00 H ATOM 741 N ASP A1932 13.565 18.706 -4.974 1.00 36.51 N ATOM 742 CA ASP A1932 14.895 18.134 -5.178 1.00 30.57 C ATOM 743 C ASP A1932 15.754 18.249 -3.927 1.00 32.23 C ATOM 744 O ASP A1932 16.525 17.336 -3.618 1.00 33.55 O ATOM 745 CB ASP A1932 15.598 18.814 -6.354 1.00 25.62 C ATOM 746 CG ASP A1932 15.351 18.101 -7.687 1.00 35.18 C ATOM 747 OD1 ASP A1932 14.587 17.107 -7.706 1.00 36.19 O ATOM 748 OD2 ASP A1932 15.937 18.532 -8.715 1.00 36.09 O ATOM 749 H ASP A1932 13.291 19.568 -5.488 1.00 0.00 H ATOM 750 N VAL A1933 15.681 19.379 -3.215 1.00 28.90 N ATOM 751 CA VAL A1933 16.440 19.489 -1.975 1.00 28.40 C ATOM 752 C VAL A1933 15.985 18.411 -0.995 1.00 31.87 C ATOM 753 O VAL A1933 16.804 17.702 -0.399 1.00 33.20 O ATOM 754 CB VAL A1933 16.301 20.899 -1.365 1.00 29.74 C ATOM 755 CG1 VAL A1933 17.012 20.967 -0.008 1.00 27.93 C ATOM 756 CG2 VAL A1933 16.869 21.945 -2.293 1.00 27.43 C ATOM 757 H VAL A1933 15.090 20.170 -3.542 1.00 0.00 H ATOM 758 N ARG A1934 14.666 18.259 -0.833 1.00 31.49 N ATOM 759 CA ARG A1934 14.156 17.273 0.116 1.00 34.11 C ATOM 760 C ARG A1934 14.505 15.859 -0.326 1.00 36.61 C ATOM 761 O ARG A1934 14.799 15.003 0.515 1.00 33.24 O ATOM 762 CB ARG A1934 12.643 17.450 0.290 1.00 39.56 C ATOM 763 CG ARG A1934 12.294 18.731 1.053 1.00 42.46 C ATOM 764 CD ARG A1934 10.808 19.094 1.051 1.00 43.52 C ATOM 765 NE ARG A1934 10.604 20.353 1.775 1.00 44.89 N ATOM 766 CZ ARG A1934 9.665 21.255 1.493 1.00 46.29 C ATOM 767 NH1 ARG A1934 8.822 21.055 0.489 1.00 45.85 N ATOM 768 NH2 ARG A1934 9.578 22.371 2.205 1.00 41.82 N ATOM 769 HE ARG A1934 11.242 20.558 2.570 1.00 0.00 H ATOM 770 HH12 ARG A1934 8.091 21.763 0.274 1.00 0.00 H ATOM 771 HH11 ARG A1934 8.891 20.190 -0.084 1.00 0.00 H ATOM 772 HH22 ARG A1934 8.844 23.074 1.983 1.00 0.00 H ATOM 773 HH21 ARG A1934 10.244 22.543 2.985 1.00 0.00 H ATOM 774 H ARG A1934 14.004 18.843 -1.383 1.00 0.00 H ATOM 775 N LEU A1935 14.528 15.618 -1.638 1.00 35.64 N ATOM 776 CA LEU A1935 14.938 14.324 -2.177 1.00 33.46 C ATOM 777 C LEU A1935 16.353 13.955 -1.737 1.00 30.97 C ATOM 778 O LEU A1935 16.635 12.786 -1.453 1.00 31.41 O ATOM 779 CB LEU A1935 14.833 14.368 -3.703 1.00 34.30 C ATOM 780 CG LEU A1935 15.293 13.154 -4.503 1.00 36.00 C ATOM 781 CD1 LEU A1935 14.547 11.882 -4.050 1.00 32.77 C ATOM 782 CD2 LEU A1935 15.080 13.408 -5.977 1.00 32.96 C ATOM 783 H LEU A1935 14.246 16.373 -2.295 1.00 0.00 H ATOM 784 N VAL A1936 17.261 14.937 -1.682 1.00 30.03 N ATOM 785 CA VAL A1936 18.615 14.681 -1.193 1.00 31.40 C ATOM 786 C VAL A1936 18.566 14.049 0.199 1.00 33.57 C ATOM 787 O VAL A1936 19.220 13.032 0.472 1.00 31.24 O ATOM 788 CB VAL A1936 19.436 15.985 -1.186 1.00 29.96 C ATOM 789 CG1 VAL A1936 20.770 15.750 -0.508 1.00 31.19 C ATOM 790 CG2 VAL A1936 19.634 16.530 -2.626 1.00 26.62 C ATOM 791 H VAL A1936 17.000 15.895 -1.991 1.00 0.00 H ATOM 792 N PHE A1937 17.749 14.616 1.086 1.00 31.41 N ATOM 793 CA PHE A1937 17.751 14.161 2.478 1.00 27.29 C ATOM 794 C PHE A1937 16.899 12.909 2.672 1.00 30.72 C ATOM 795 O PHE A1937 17.210 12.079 3.540 1.00 37.30 O ATOM 796 CB PHE A1937 17.306 15.322 3.376 1.00 27.54 C ATOM 797 CG PHE A1937 18.122 16.567 3.159 1.00 29.51 C ATOM 798 CD1 PHE A1937 19.505 16.489 3.113 1.00 29.38 C ATOM 799 CD2 PHE A1937 17.519 17.796 2.929 1.00 29.31 C ATOM 800 CE1 PHE A1937 20.270 17.598 2.867 1.00 30.67 C ATOM 801 CE2 PHE A1937 18.287 18.920 2.694 1.00 29.27 C ATOM 802 CZ PHE A1937 19.661 18.822 2.656 1.00 28.82 C ATOM 803 H PHE A1937 17.110 15.381 0.790 1.00 0.00 H ATOM 804 N ASP A1938 15.850 12.739 1.861 1.00 33.14 N ATOM 805 CA ASP A1938 15.101 11.485 1.866 1.00 34.58 C ATOM 806 C ASP A1938 15.961 10.326 1.380 1.00 35.67 C ATOM 807 O ASP A1938 15.917 9.234 1.954 1.00 42.10 O ATOM 808 CB ASP A1938 13.851 11.615 0.997 1.00 35.09 C ATOM 809 CG ASP A1938 12.823 12.551 1.591 1.00 39.91 C ATOM 810 OD1 ASP A1938 12.984 12.949 2.760 1.00 39.61 O ATOM 811 OD2 ASP A1938 11.851 12.894 0.885 1.00 44.19 O ATOM 812 H ASP A1938 15.564 13.507 1.220 1.00 0.00 H ATOM 813 N ASN A1939 16.730 10.528 0.306 1.00 39.11 N ATOM 814 CA ASN A1939 17.692 9.506 -0.102 1.00 39.12 C ATOM 815 C ASN A1939 18.654 9.185 1.036 1.00 37.06 C ATOM 816 O ASN A1939 18.890 8.015 1.351 1.00 37.60 O ATOM 817 CB ASN A1939 18.477 9.966 -1.323 1.00 38.78 C ATOM 818 CG ASN A1939 17.629 10.037 -2.580 1.00 38.03 C ATOM 819 OD1 ASN A1939 16.509 9.516 -2.632 1.00 36.50 O ATOM 820 ND2 ASN A1939 18.168 10.685 -3.605 1.00 31.83 N ATOM 821 HD22 ASN A1939 19.114 11.107 -3.514 1.00 0.00 H ATOM 822 HD21 ASN A1939 17.644 10.771 -4.499 1.00 0.00 H ATOM 823 H ASN A1939 16.644 11.410 -0.238 1.00 0.00 H ATOM 824 N CYS A1940 19.222 10.224 1.655 1.00 31.73 N ATOM 825 CA CYS A1940 20.179 10.037 2.739 1.00 33.17 C ATOM 826 C CYS A1940 19.572 9.230 3.880 1.00 37.07 C ATOM 827 O CYS A1940 20.236 8.365 4.467 1.00 40.60 O ATOM 828 CB CYS A1940 20.651 11.402 3.244 1.00 34.24 C ATOM 829 SG CYS A1940 21.942 11.352 4.508 1.00 35.08 S ATOM 830 H CYS A1940 18.976 11.189 1.356 1.00 0.00 H ATOM 831 N GLU A1941 18.305 9.494 4.205 1.00 38.73 N ATOM 832 CA GLU A1941 17.675 8.824 5.336 1.00 42.49 C ATOM 833 C GLU A1941 17.289 7.396 4.991 1.00 43.53 C ATOM 834 O GLU A1941 17.170 6.560 5.889 1.00 47.03 O ATOM 835 CB GLU A1941 16.449 9.621 5.786 1.00 44.39 C ATOM 836 CG GLU A1941 15.909 9.253 7.140 1.00 54.07 C ATOM 837 CD GLU A1941 14.923 10.281 7.657 1.00 52.04 C ATOM 838 OE1 GLU A1941 14.832 11.378 7.067 1.00 49.83 O ATOM 839 OE2 GLU A1941 14.229 9.993 8.645 1.00 53.15 O ATOM 840 H GLU A1941 17.762 10.184 3.647 1.00 0.00 H ATOM 841 N THR A1942 17.097 7.109 3.704 1.00 36.71 N ATOM 842 CA THR A1942 16.830 5.749 3.256 1.00 38.76 C ATOM 843 C THR A1942 18.080 4.881 3.337 1.00 44.77 C ATOM 844 O THR A1942 18.002 3.699 3.701 1.00 43.83 O ATOM 845 CB THR A1942 16.292 5.794 1.828 1.00 42.61 C ATOM 846 OG1 THR A1942 15.044 6.504 1.820 1.00 45.63 O ATOM 847 CG2 THR A1942 16.093 4.381 1.263 1.00 42.38 C ATOM 848 HG1 THR A1942 15.188 7.425 2.152 1.00 0.00 H ATOM 849 H THR A1942 17.139 7.875 3.002 1.00 0.00 H ATOM 850 N PHE A1943 19.243 5.443 3.009 1.00 42.38 N ATOM 851 CA PHE A1943 20.443 4.632 2.854 1.00 43.06 C ATOM 852 C PHE A1943 21.364 4.648 4.063 1.00 47.60 C ATOM 853 O PHE A1943 22.100 3.680 4.268 1.00 52.94 O ATOM 854 CB PHE A1943 21.233 5.079 1.616 1.00 33.56 C ATOM 855 CG PHE A1943 22.039 3.969 0.977 1.00 34.88 C ATOM 856 CD1 PHE A1943 21.429 3.035 0.154 1.00 37.22 C ATOM 857 CD2 PHE A1943 23.407 3.873 1.184 1.00 33.36 C ATOM 858 CE1 PHE A1943 22.165 2.018 -0.441 1.00 37.91 C ATOM 859 CE2 PHE A1943 24.150 2.867 0.585 1.00 38.16 C ATOM 860 CZ PHE A1943 23.527 1.932 -0.221 1.00 37.11 C ATOM 861 H PHE A1943 19.294 6.471 2.862 1.00 0.00 H ATOM 862 N ASN A1944 21.342 5.694 4.884 1.00 38.63 N ATOM 863 CA ASN A1944 22.313 5.836 5.960 1.00 37.21 C ATOM 864 C ASN A1944 21.647 5.724 7.326 1.00 42.54 C ATOM 865 O ASN A1944 20.508 6.164 7.521 1.00 40.96 O ATOM 866 CB ASN A1944 23.042 7.182 5.876 1.00 40.97 C ATOM 867 CG ASN A1944 23.767 7.374 4.556 1.00 43.14 C ATOM 868 OD1 ASN A1944 24.904 6.941 4.394 1.00 44.52 O ATOM 869 ND2 ASN A1944 23.116 8.048 3.615 1.00 39.89 N ATOM 870 HD22 ASN A1944 22.153 8.396 3.797 1.00 0.00 H ATOM 871 HD21 ASN A1944 23.569 8.228 2.696 1.00 0.00 H ATOM 872 H ASN A1944 20.615 6.427 4.755 1.00 0.00 H ATOM 873 N GLU A1945 22.382 5.147 8.277 1.00 44.55 N ATOM 874 CA GLU A1945 21.914 5.083 9.654 1.00 40.93 C ATOM 875 C GLU A1945 21.804 6.480 10.253 1.00 42.57 C ATOM 876 O GLU A1945 22.660 7.336 10.020 1.00 45.22 O ATOM 877 CB GLU A1945 22.873 4.251 10.505 1.00 46.63 C ATOM 878 CG GLU A1945 23.213 2.900 9.931 1.00 54.11 C ATOM 879 CD GLU A1945 22.701 1.787 10.800 1.00 74.71 C ATOM 880 OE1 GLU A1945 21.473 1.730 11.031 1.00 81.05 O ATOM 881 OE2 GLU A1945 23.531 0.987 11.275 1.00 84.34 O ATOM 882 H GLU A1945 23.305 4.736 8.031 1.00 0.00 H ATOM 883 N ASP A1946 20.769 6.678 11.080 1.00 47.67 N ATOM 884 CA ASP A1946 20.474 7.987 11.658 1.00 47.74 C ATOM 885 C ASP A1946 21.675 8.623 12.339 1.00 50.70 C ATOM 886 O ASP A1946 21.847 9.846 12.275 1.00 54.50 O ATOM 887 CB ASP A1946 19.325 7.879 12.660 1.00 47.68 C ATOM 888 CG ASP A1946 17.970 7.883 11.991 1.00 46.04 C ATOM 889 OD1 ASP A1946 17.883 8.286 10.814 1.00 48.36 O ATOM 890 OD2 ASP A1946 16.985 7.483 12.640 1.00 50.97 O ATOM 891 H ASP A1946 20.155 5.873 11.319 1.00 0.00 H ATOM 892 N ASP A1947 22.516 7.831 12.995 1.00 49.97 N ATOM 893 CA ASP A1947 23.627 8.393 13.750 1.00 52.59 C ATOM 894 C ASP A1947 24.984 8.140 13.107 1.00 51.92 C ATOM 895 O ASP A1947 26.010 8.479 13.704 1.00 56.01 O ATOM 896 CB ASP A1947 23.601 7.879 15.190 1.00 59.90 C ATOM 897 CG ASP A1947 22.473 8.500 15.994 1.00 65.62 C ATOM 898 OD1 ASP A1947 21.574 7.759 16.448 1.00 65.70 O ATOM 899 OD2 ASP A1947 22.472 9.743 16.130 1.00 67.45 O ATOM 900 H ASP A1947 22.380 6.800 12.969 1.00 0.00 H ATOM 901 N SER A1948 25.021 7.594 11.892 1.00 44.18 N ATOM 902 CA SER A1948 26.253 7.661 11.126 1.00 39.33 C ATOM 903 C SER A1948 26.589 9.124 10.848 1.00 44.29 C ATOM 904 O SER A1948 25.753 10.015 11.009 1.00 45.76 O ATOM 905 CB SER A1948 26.114 6.893 9.813 1.00 41.13 C ATOM 906 OG SER A1948 25.121 7.492 9.001 1.00 42.22 O ATOM 907 HG SER A1948 24.254 7.479 9.479 1.00 0.00 H ATOM 908 H SER A1948 24.180 7.127 11.498 1.00 0.00 H ATOM 909 N ASP A1949 27.828 9.376 10.417 1.00 45.66 N ATOM 910 CA ASP A1949 28.213 10.750 10.103 1.00 43.87 C ATOM 911 C ASP A1949 27.384 11.308 8.952 1.00 43.26 C ATOM 912 O ASP A1949 26.902 12.445 9.017 1.00 44.25 O ATOM 913 CB ASP A1949 29.704 10.829 9.782 1.00 44.98 C ATOM 914 CG ASP A1949 30.571 10.539 10.986 1.00 47.71 C ATOM 915 OD1 ASP A1949 30.504 11.290 11.979 1.00 54.38 O ATOM 916 OD2 ASP A1949 31.317 9.547 10.942 1.00 53.32 O ATOM 917 H ASP A1949 28.513 8.601 10.306 1.00 0.00 H ATOM 918 N ILE A1950 27.216 10.524 7.879 1.00 36.30 N ATOM 919 CA ILE A1950 26.414 10.989 6.752 1.00 37.78 C ATOM 920 C ILE A1950 24.949 11.103 7.148 1.00 38.98 C ATOM 921 O ILE A1950 24.267 12.064 6.777 1.00 36.92 O ATOM 922 CB ILE A1950 26.600 10.059 5.541 1.00 37.50 C ATOM 923 CG1 ILE A1950 28.021 10.180 4.995 1.00 40.24 C ATOM 924 CG2 ILE A1950 25.561 10.371 4.462 1.00 35.26 C ATOM 925 CD1 ILE A1950 28.328 9.201 3.870 1.00 42.14 C ATOM 926 H ILE A1950 27.658 9.583 7.849 1.00 0.00 H ATOM 927 N GLY A1951 24.447 10.132 7.913 1.00 36.53 N ATOM 928 CA GLY A1951 23.053 10.170 8.328 1.00 39.97 C ATOM 929 C GLY A1951 22.714 11.373 9.194 1.00 37.41 C ATOM 930 O GLY A1951 21.678 12.017 9.002 1.00 36.60 O ATOM 931 H GLY A1951 25.055 9.344 8.214 1.00 0.00 H ATOM 932 N ARG A1952 23.574 11.692 10.160 1.00 37.29 N ATOM 933 CA ARG A1952 23.304 12.843 11.019 1.00 36.37 C ATOM 934 C ARG A1952 23.487 14.146 10.252 1.00 37.62 C ATOM 935 O ARG A1952 22.716 15.095 10.437 1.00 34.99 O ATOM 936 CB ARG A1952 24.202 12.819 12.252 1.00 38.05 C ATOM 937 CG ARG A1952 23.894 13.963 13.256 1.00 43.66 C ATOM 938 CD ARG A1952 22.397 14.088 13.541 1.00 46.33 C ATOM 939 NE ARG A1952 21.863 12.842 14.096 1.00 50.51 N ATOM 940 CZ ARG A1952 20.598 12.650 14.458 1.00 56.24 C ATOM 941 NH1 ARG A1952 20.220 11.474 14.954 1.00 57.77 N ATOM 942 NH2 ARG A1952 19.715 13.633 14.331 1.00 56.76 N ATOM 943 HE ARG A1952 22.523 12.047 14.216 1.00 0.00 H ATOM 944 HH12 ARG A1952 19.231 11.323 15.237 1.00 0.00 H ATOM 945 HH11 ARG A1952 20.914 10.706 15.058 1.00 0.00 H ATOM 946 HH22 ARG A1952 18.726 13.483 14.614 1.00 0.00 H ATOM 947 HH21 ARG A1952 20.013 14.553 13.948 1.00 0.00 H ATOM 948 H ARG A1952 24.434 11.124 10.302 1.00 0.00 H ATOM 949 N ALA A1953 24.495 14.202 9.379 1.00 35.36 N ATOM 950 CA ALA A1953 24.641 15.353 8.497 1.00 39.66 C ATOM 951 C ALA A1953 23.350 15.621 7.740 1.00 36.74 C ATOM 952 O ALA A1953 22.925 16.774 7.605 1.00 35.75 O ATOM 953 CB ALA A1953 25.796 15.124 7.525 1.00 32.11 C ATOM 954 H ALA A1953 25.179 13.421 9.328 1.00 0.00 H ATOM 955 N GLY A1954 22.698 14.561 7.266 1.00 32.25 N ATOM 956 CA GLY A1954 21.468 14.734 6.512 1.00 33.50 C ATOM 957 C GLY A1954 20.349 15.306 7.357 1.00 31.35 C ATOM 958 O GLY A1954 19.652 16.232 6.933 1.00 38.81 O ATOM 959 H GLY A1954 23.071 13.605 7.436 1.00 0.00 H ATOM 960 N HIS A1955 20.174 14.781 8.570 1.00 32.32 N ATOM 961 CA HIS A1955 19.187 15.348 9.483 1.00 33.26 C ATOM 962 C HIS A1955 19.488 16.816 9.775 1.00 39.58 C ATOM 963 O HIS A1955 18.579 17.654 9.777 1.00 38.05 O ATOM 964 CB HIS A1955 19.136 14.537 10.780 1.00 34.27 C ATOM 965 CG HIS A1955 18.517 13.184 10.617 1.00 41.04 C ATOM 966 ND1 HIS A1955 17.226 13.005 10.164 1.00 43.48 N ATOM 967 CD2 HIS A1955 19.014 11.943 10.831 1.00 45.01 C ATOM 968 CE1 HIS A1955 16.956 11.711 10.105 1.00 46.31 C ATOM 969 NE2 HIS A1955 18.022 11.045 10.512 1.00 40.82 N ATOM 970 H HIS A1955 20.744 13.963 8.867 1.00 0.00 H ATOM 971 N ASN A1956 20.761 17.140 10.045 1.00 38.71 N ATOM 972 CA ASN A1956 21.154 18.527 10.299 1.00 37.70 C ATOM 973 C ASN A1956 20.833 19.416 9.100 1.00 38.45 C ATOM 974 O ASN A1956 20.289 20.519 9.250 1.00 38.09 O ATOM 975 CB ASN A1956 22.653 18.613 10.611 1.00 33.89 C ATOM 976 CG ASN A1956 23.023 18.038 11.966 1.00 39.74 C ATOM 977 OD1 ASN A1956 22.159 17.685 12.769 1.00 36.15 O ATOM 978 ND2 ASN A1956 24.327 17.959 12.229 1.00 37.37 N ATOM 979 HD22 ASN A1956 25.020 18.270 11.519 1.00 0.00 H ATOM 980 HD21 ASN A1956 24.651 17.587 13.144 1.00 0.00 H ATOM 981 H ASN A1956 21.483 16.392 10.074 1.00 0.00 H ATOM 982 N MET A1957 21.191 18.960 7.897 1.00 32.39 N ATOM 983 CA MET A1957 20.989 19.785 6.706 1.00 35.48 C ATOM 984 C MET A1957 19.513 19.954 6.368 1.00 35.42 C ATOM 985 O MET A1957 19.115 21.011 5.870 1.00 36.51 O ATOM 986 CB MET A1957 21.732 19.193 5.507 1.00 35.09 C ATOM 987 CG MET A1957 23.250 19.210 5.620 1.00 43.88 C ATOM 988 SD MET A1957 23.949 20.857 5.866 1.00 54.60 S ATOM 989 CE MET A1957 23.507 21.619 4.303 1.00 45.11 C ATOM 990 H MET A1957 21.615 18.015 7.807 1.00 0.00 H ATOM 991 N ARG A1958 18.689 18.934 6.606 1.00 32.46 N ATOM 992 CA ARG A1958 17.259 19.090 6.357 1.00 35.42 C ATOM 993 C ARG A1958 16.675 20.183 7.239 1.00 38.85 C ATOM 994 O ARG A1958 15.918 21.048 6.777 1.00 35.12 O ATOM 995 CB ARG A1958 16.528 17.774 6.607 1.00 36.57 C ATOM 996 CG ARG A1958 15.044 17.868 6.308 1.00 38.02 C ATOM 997 CD ARG A1958 14.248 16.693 6.891 1.00 36.86 C ATOM 998 NE ARG A1958 14.613 15.384 6.346 1.00 35.18 N ATOM 999 CZ ARG A1958 14.164 14.878 5.195 1.00 42.10 C ATOM 1000 NH1 ARG A1958 13.354 15.586 4.409 1.00 35.00 N ATOM 1001 NH2 ARG A1958 14.546 13.662 4.816 1.00 40.00 N ATOM 1002 HE ARG A1958 15.274 14.802 6.899 1.00 0.00 H ATOM 1003 HH12 ARG A1958 13.011 15.180 3.515 1.00 0.00 H ATOM 1004 HH11 ARG A1958 13.064 16.545 4.690 1.00 0.00 H ATOM 1005 HH22 ARG A1958 14.199 13.264 3.920 1.00 0.00 H ATOM 1006 HH21 ARG A1958 15.192 13.109 5.415 1.00 0.00 H ATOM 1007 H ARG A1958 19.062 18.033 6.967 1.00 0.00 H ATOM 1008 N LYS A1959 17.020 20.151 8.524 1.00 33.31 N ATOM 1009 CA LYS A1959 16.526 21.155 9.454 1.00 34.27 C ATOM 1010 C LYS A1959 17.005 22.538 9.054 1.00 35.23 C ATOM 1011 O LYS A1959 16.226 23.497 9.022 1.00 39.04 O ATOM 1012 CB LYS A1959 17.000 20.815 10.864 1.00 41.90 C ATOM 1013 CG LYS A1959 15.889 20.730 11.870 1.00 58.92 C ATOM 1014 CD LYS A1959 15.572 22.068 12.437 1.00 62.63 C ATOM 1015 CE LYS A1959 14.085 22.348 12.361 1.00 74.66 C ATOM 1016 NZ LYS A1959 13.720 22.987 11.053 1.00 73.22 N ATOM 1017 HZ1 LYS A1959 14.233 23.886 10.953 1.00 0.00 H ATOM 1018 HZ2 LYS A1959 13.979 22.350 10.273 1.00 0.00 H ATOM 1019 HZ3 LYS A1959 12.696 23.167 11.030 1.00 0.00 H ATOM 1020 H LYS A1959 17.651 19.399 8.868 1.00 0.00 H ATOM 1021 N TYR A1960 18.296 22.658 8.753 1.00 33.56 N ATOM 1022 CA TYR A1960 18.835 23.918 8.261 1.00 35.23 C ATOM 1023 C TYR A1960 18.031 24.432 7.066 1.00 42.25 C ATOM 1024 O TYR A1960 17.636 25.605 7.026 1.00 35.85 O ATOM 1025 CB TYR A1960 20.311 23.717 7.909 1.00 34.41 C ATOM 1026 CG TYR A1960 21.071 24.997 7.644 1.00 38.28 C ATOM 1027 CD1 TYR A1960 21.391 25.865 8.674 1.00 35.63 C ATOM 1028 CD2 TYR A1960 21.484 25.324 6.359 1.00 42.72 C ATOM 1029 CE1 TYR A1960 22.094 27.044 8.432 1.00 41.14 C ATOM 1030 CE2 TYR A1960 22.185 26.488 6.110 1.00 42.35 C ATOM 1031 CZ TYR A1960 22.490 27.338 7.141 1.00 46.15 C ATOM 1032 OH TYR A1960 23.189 28.487 6.864 1.00 54.54 O ATOM 1033 HH TYR A1960 24.064 28.252 6.465 1.00 0.00 H ATOM 1034 H TYR A1960 18.928 21.841 8.871 1.00 0.00 H ATOM 1035 N PHE A1961 17.748 23.548 6.096 1.00 34.04 N ATOM 1036 CA PHE A1961 17.017 23.954 4.893 1.00 30.96 C ATOM 1037 C PHE A1961 15.612 24.431 5.218 1.00 39.06 C ATOM 1038 O PHE A1961 15.167 25.478 4.723 1.00 37.53 O ATOM 1039 CB PHE A1961 16.915 22.803 3.890 1.00 30.19 C ATOM 1040 CG PHE A1961 15.972 23.104 2.736 1.00 32.11 C ATOM 1041 CD1 PHE A1961 16.272 24.111 1.824 1.00 36.72 C ATOM 1042 CD2 PHE A1961 14.778 22.416 2.590 1.00 34.04 C ATOM 1043 CE1 PHE A1961 15.408 24.409 0.761 1.00 33.40 C ATOM 1044 CE2 PHE A1961 13.901 22.709 1.539 1.00 35.20 C ATOM 1045 CZ PHE A1961 14.219 23.708 0.623 1.00 37.30 C ATOM 1046 H PHE A1961 18.053 22.559 6.200 1.00 0.00 H ATOM 1047 N GLU A1962 14.867 23.641 5.997 1.00 35.21 N ATOM 1048 CA GLU A1962 13.460 23.966 6.194 1.00 37.05 C ATOM 1049 C GLU A1962 13.299 25.280 6.941 1.00 43.26 C ATOM 1050 O GLU A1962 12.323 26.005 6.716 1.00 45.63 O ATOM 1051 CB GLU A1962 12.739 22.830 6.924 1.00 35.20 C ATOM 1052 CG GLU A1962 12.715 21.477 6.169 1.00 32.57 C ATOM 1053 CD GLU A1962 11.966 21.524 4.824 1.00 44.76 C ATOM 1054 OE1 GLU A1962 11.292 22.537 4.514 1.00 46.00 O ATOM 1055 OE2 GLU A1962 12.049 20.532 4.071 1.00 43.57 O ATOM 1056 H GLU A1962 15.285 22.807 6.456 1.00 0.00 H ATOM 1057 N LYS A1963 14.250 25.622 7.811 1.00 43.32 N ATOM 1058 CA LYS A1963 14.158 26.912 8.489 1.00 38.92 C ATOM 1059 C LYS A1963 14.440 28.065 7.529 1.00 38.13 C ATOM 1060 O LYS A1963 13.753 29.092 7.574 1.00 48.62 O ATOM 1061 CB LYS A1963 15.107 26.961 9.679 1.00 38.59 C ATOM 1062 CG LYS A1963 14.693 28.028 10.698 1.00 50.83 C ATOM 1063 CD LYS A1963 15.741 29.095 10.880 1.00 55.84 C ATOM 1064 CE LYS A1963 15.450 29.919 12.143 1.00 59.27 C ATOM 1065 NZ LYS A1963 14.018 30.352 12.252 1.00 51.74 N ATOM 1066 HZ1 LYS A1963 13.771 30.940 11.430 1.00 0.00 H ATOM 1067 HZ2 LYS A1963 13.404 29.513 12.276 1.00 0.00 H ATOM 1068 HZ3 LYS A1963 13.889 30.903 13.125 1.00 0.00 H ATOM 1069 H LYS A1963 15.045 24.980 8.004 1.00 0.00 H ATOM 1070 N LYS A1964 15.457 27.926 6.669 1.00 35.38 N ATOM 1071 CA LYS A1964 15.704 28.942 5.645 1.00 40.98 C ATOM 1072 C LYS A1964 14.504 29.078 4.719 1.00 44.65 C ATOM 1073 O LYS A1964 14.173 30.181 4.275 1.00 41.86 O ATOM 1074 CB LYS A1964 16.954 28.593 4.826 1.00 40.59 C ATOM 1075 CG LYS A1964 18.269 28.623 5.588 1.00 46.96 C ATOM 1076 CD LYS A1964 18.775 30.038 5.765 1.00 52.90 C ATOM 1077 CE LYS A1964 19.925 30.106 6.763 1.00 56.38 C ATOM 1078 NZ LYS A1964 19.451 30.171 8.193 1.00 60.75 N ATOM 1079 HZ1 LYS A1964 18.864 31.019 8.324 1.00 0.00 H ATOM 1080 HZ2 LYS A1964 18.890 29.323 8.410 1.00 0.00 H ATOM 1081 HZ3 LYS A1964 20.274 30.216 8.828 1.00 0.00 H ATOM 1082 H LYS A1964 16.075 27.091 6.729 1.00 0.00 H ATOM 1083 N TRP A1965 13.841 27.961 4.419 1.00 41.65 N ATOM 1084 CA TRP A1965 12.697 27.979 3.514 1.00 40.37 C ATOM 1085 C TRP A1965 11.540 28.785 4.096 1.00 47.82 C ATOM 1086 O TRP A1965 10.980 29.661 3.428 1.00 47.13 O ATOM 1087 CB TRP A1965 12.260 26.546 3.213 1.00 41.81 C ATOM 1088 CG TRP A1965 11.327 26.438 2.042 1.00 45.37 C ATOM 1089 CD1 TRP A1965 9.991 26.162 2.080 1.00 49.75 C ATOM 1090 CD2 TRP A1965 11.658 26.619 0.659 1.00 39.21 C ATOM 1091 NE1 TRP A1965 9.471 26.153 0.810 1.00 51.63 N ATOM 1092 CE2 TRP A1965 10.472 26.433 -0.081 1.00 43.77 C ATOM 1093 CE3 TRP A1965 12.838 26.918 -0.023 1.00 33.26 C ATOM 1094 CZ2 TRP A1965 10.433 26.534 -1.467 1.00 38.89 C ATOM 1095 CZ3 TRP A1965 12.796 27.016 -1.417 1.00 38.64 C ATOM 1096 CH2 TRP A1965 11.602 26.823 -2.115 1.00 36.82 C ATOM 1097 HE1 TRP A1965 8.478 25.964 0.564 1.00 0.00 H ATOM 1098 H TRP A1965 14.145 27.059 4.838 1.00 0.00 H ATOM 1099 N THR A1966 11.159 28.494 5.344 1.00 44.49 N ATOM 1100 CA THR A1966 10.061 29.237 5.957 1.00 46.96 C ATOM 1101 C THR A1966 10.457 30.681 6.208 1.00 47.01 C ATOM 1102 O THR A1966 9.655 31.596 5.992 1.00 54.47 O ATOM 1103 CB THR A1966 9.621 28.579 7.266 1.00 54.54 C ATOM 1104 OG1 THR A1966 10.760 28.406 8.112 1.00 64.38 O ATOM 1105 CG2 THR A1966 8.978 27.230 7.006 1.00 47.71 C ATOM 1106 HG1 THR A1966 11.423 27.829 7.657 1.00 0.00 H ATOM 1107 H THR A1966 11.642 27.742 5.876 1.00 0.00 H ATOM 1108 N ASP A1967 11.689 30.909 6.671 1.00 46.18 N ATOM 1109 CA ASP A1967 12.136 32.278 6.906 1.00 45.28 C ATOM 1110 C ASP A1967 12.126 33.099 5.625 1.00 49.22 C ATOM 1111 O ASP A1967 11.838 34.299 5.660 1.00 49.70 O ATOM 1112 CB ASP A1967 13.538 32.287 7.508 1.00 48.75 C ATOM 1113 CG ASP A1967 13.557 31.865 8.976 1.00 54.27 C ATOM 1114 OD1 ASP A1967 12.476 31.603 9.555 1.00 49.42 O ATOM 1115 OD2 ASP A1967 14.670 31.790 9.537 1.00 62.16 O ATOM 1116 H ASP A1967 12.329 30.112 6.864 1.00 0.00 H ATOM 1117 N THR A1968 12.435 32.472 4.487 1.00 46.88 N ATOM 1118 CA THR A1968 12.548 33.203 3.230 1.00 44.41 C ATOM 1119 C THR A1968 11.191 33.410 2.568 1.00 52.34 C ATOM 1120 O THR A1968 10.898 34.512 2.096 1.00 57.76 O ATOM 1121 CB THR A1968 13.502 32.470 2.286 1.00 38.89 C ATOM 1122 OG1 THR A1968 14.794 32.386 2.898 1.00 41.64 O ATOM 1123 CG2 THR A1968 13.645 33.204 0.963 1.00 38.96 C ATOM 1124 HG1 THR A1968 14.722 31.889 3.751 1.00 0.00 H ATOM 1125 H THR A1968 12.598 31.445 4.497 1.00 0.00 H ATOM 1126 N PHE A1969 10.334 32.387 2.551 1.00 55.33 N ATOM 1127 CA PHE A1969 9.137 32.425 1.722 1.00 62.20 C ATOM 1128 C PHE A1969 7.821 32.453 2.488 1.00 73.86 C ATOM 1129 O PHE A1969 6.794 32.791 1.893 1.00 80.60 O ATOM 1130 CB PHE A1969 9.127 31.230 0.759 1.00 56.34 C ATOM 1131 CG PHE A1969 10.239 31.265 -0.247 1.00 47.68 C ATOM 1132 CD1 PHE A1969 10.204 32.162 -1.303 1.00 49.52 C ATOM 1133 CD2 PHE A1969 11.326 30.421 -0.128 1.00 42.59 C ATOM 1134 CE1 PHE A1969 11.231 32.205 -2.235 1.00 50.44 C ATOM 1135 CE2 PHE A1969 12.357 30.457 -1.051 1.00 42.82 C ATOM 1136 CZ PHE A1969 12.310 31.347 -2.109 1.00 45.13 C ATOM 1137 H PHE A1969 10.524 31.550 3.139 1.00 0.00 H ATOM 1138 N LYS A1970 7.809 32.113 3.771 1.00 82.25 N ATOM 1139 CA LYS A1970 6.583 32.232 4.555 1.00 91.02 C ATOM 1140 C LYS A1970 6.474 33.674 5.041 1.00 98.95 C ATOM 1141 O LYS A1970 7.208 34.087 5.947 1.00 97.55 O ATOM 1142 CB LYS A1970 6.573 31.230 5.705 1.00 90.91 C ATOM 1143 CG LYS A1970 5.895 29.895 5.368 1.00 87.99 C ATOM 1144 CD LYS A1970 6.355 29.327 4.029 1.00 82.90 C ATOM 1145 CE LYS A1970 5.650 28.019 3.696 1.00 81.16 C ATOM 1146 NZ LYS A1970 5.914 27.596 2.287 1.00 79.33 N ATOM 1147 HZ1 LYS A1970 5.570 28.330 1.636 1.00 0.00 H ATOM 1148 HZ2 LYS A1970 6.937 27.462 2.152 1.00 0.00 H ATOM 1149 HZ3 LYS A1970 5.418 26.702 2.096 1.00 0.00 H ATOM 1150 H LYS A1970 8.678 31.760 4.220 1.00 0.00 H ATOM 1151 N VAL A1971 5.543 34.423 4.442 1.00103.91 N ATOM 1152 CA VAL A1971 5.507 35.895 4.443 1.00106.53 C ATOM 1153 C VAL A1971 6.909 36.467 4.258 1.00106.68 C ATOM 1154 O VAL A1971 7.131 37.310 3.387 1.00106.25 O ATOM 1155 CB VAL A1971 4.837 36.491 5.722 1.00107.22 C ATOM 1156 CG1 VAL A1971 3.583 35.714 6.104 1.00107.58 C ATOM 1157 CG2 VAL A1971 5.822 36.602 6.885 1.00106.79 C ATOM 1158 H VAL A1971 4.783 33.926 3.935 1.00 0.00 H TER 1159 VAL A1971 HETATM 1160 O HOH 1 16.826 31.956 8.433 1.00 55.58 O HETATM 1161 O HOH 2 26.579 22.801 -5.761 1.00 43.31 O HETATM 1162 O HOH 3 11.845 18.126 4.721 1.00 42.58 O HETATM 1163 O HOH 4 28.924 23.887 12.689 1.00 49.43 O HETATM 1164 O HOH 5 21.404 11.976 -0.224 1.00 33.85 O HETATM 1165 O HOH 6 16.434 13.958 7.356 1.00 35.98 O HETATM 1166 O HOH 7 10.079 14.665 1.365 1.00 50.24 O HETATM 1167 O HOH 8 30.536 23.234 2.706 1.00 46.91 O HETATM 1168 O HOH 9 24.551 9.128 -7.605 1.00 35.16 O HETATM 1169 O HOH 10 22.157 9.295 0.116 1.00 32.94 O HETATM 1170 O HOH 11 6.945 23.750 0.101 1.00 69.30 O HETATM 1171 O HOH 12 -1.823 37.786 -8.508 1.00 67.10 O HETATM 1172 O HOH 13 21.350 10.873 -3.792 1.00 30.41 O HETATM 1173 O HOH 14 23.187 13.096 -2.256 1.00 36.06 O HETATM 1174 O HOH 15 30.991 11.442 -7.170 1.00 68.00 O HETATM 1175 O HOH 16 25.216 1.534 -6.725 1.00 36.97 O HETATM 1176 O HOH 17 19.686 4.626 -9.326 1.00 46.02 O HETATM 1177 O HOH 18 23.668 14.266 -11.573 1.00 40.60 O HETATM 1178 O HOH 19 22.810 13.015 -7.359 1.00 32.34 O HETATM 1179 O HOH 20 30.319 15.457 -1.940 1.00 45.31 O HETATM 1180 O HOH 21 30.809 17.642 9.281 1.00 41.14 O HETATM 1181 O HOH 22 15.997 17.456 10.613 1.00 40.92 O HETATM 1182 O HOH 23 25.761 28.063 5.703 1.00 44.07 O HETATM 1183 O HOH 24 6.610 27.867 -0.476 1.00 75.96 O HETATM 1184 O HOH 25 8.383 30.079 -8.501 1.00 44.92 O HETATM 1185 O HOH 26 19.809 11.028 7.277 1.00 30.84 O HETATM 1186 O HOH 27 26.726 24.421 -12.314 1.00 45.74 O HETATM 1187 O HOH 28 9.807 24.519 5.675 1.00 45.66 O HETATM 1188 O HOH 29 -14.183 37.074 -14.696 1.00 52.02 O HETATM 1189 O HOH 30 29.991 7.357 9.921 1.00 54.85 O HETATM 1190 O HOH 31 19.768 12.161 -10.801 1.00 40.20 O HETATM 1191 O HOH 32 -14.948 29.951 -14.929 1.00 40.07 O HETATM 1192 O HOH 33 15.629 2.411 4.323 1.00 62.47 O HETATM 1193 O HOH 34 28.563 21.190 -5.111 1.00 39.24 O HETATM 1194 O HOH 35 26.225 26.825 -11.960 1.00 46.80 O HETATM 1195 O HOH 36 19.494 8.528 8.566 1.00 39.26 O HETATM 1196 O HOH 37 9.673 36.439 -5.301 1.00 46.92 O HETATM 1197 O HOH 38 30.313 8.176 -3.436 1.00 39.06 O HETATM 1198 O HOH 39 24.175 32.915 -4.148 1.00 52.04 O HETATM 1199 O HOH 40 19.829 16.531 13.848 1.00 42.83 O HETATM 1200 O HOH 41 22.279 22.035 -17.466 1.00 43.04 O HETATM 1201 O HOH 42 14.922 14.621 10.368 1.00 46.39 O HETATM 1202 O HOH 43 25.612 12.915 -2.440 1.00 30.64 O HETATM 1203 O HOH 44 11.276 13.777 -9.685 1.00 74.59 O HETATM 1204 O HOH 45 11.719 12.454 -1.908 1.00 44.81 O HETATM 1205 O HOH 46 18.654 13.031 5.781 1.00 35.20 O HETATM 1206 O HOH 47 21.424 19.186 -16.178 1.00 62.44 O HETATM 1207 O HOH 48 18.388 27.533 8.979 1.00 38.64 O HETATM 1208 O HOH 49 14.078 8.915 -1.259 1.00 41.42 O HETATM 1209 O HOH 50 10.895 15.218 -2.866 1.00 38.35 O HETATM 1210 O HOH 51 14.547 15.603 -10.148 1.00 58.72 O HETATM 1211 O HOH 52 7.516 21.168 -2.958 1.00 57.38 O HETATM 1212 O HOH 53 28.640 8.022 7.570 1.00 40.77 O HETATM 1213 O HOH 54 27.044 22.353 -10.193 1.00 36.76 O HETATM 1214 O HOH 55 15.101 8.043 -4.734 1.00 34.59 O HETATM 1215 O HOH 56 23.282 30.718 -15.505 1.00 47.05 O HETATM 1216 O HOH 57 7.735 18.464 -0.407 1.00 62.41 O HETATM 1217 O HOH 58 27.050 6.109 6.249 1.00 50.96 O HETATM 1218 O HOH 59 15.192 36.080 -9.247 1.00 38.98 O HETATM 1219 O HOH 60 23.682 11.189 -5.696 1.00 29.73 O HETATM 1220 O HOH 61 4.409 30.997 -6.294 1.00 66.01 O HETATM 1221 O HOH 62 12.026 18.300 -8.672 1.00 51.93 O HETATM 1222 O HOH 63 23.526 -0.617 -7.067 1.00 43.76 O HETATM 1223 O HOH 64 16.868 15.686 -12.745 1.00 49.88 O HETATM 1224 O HOH 65 12.841 18.409 -10.834 1.00 58.50 O HETATM 1225 O HOH 66 28.255 25.678 9.089 1.00 38.03 O HETATM 1226 O HOH 67 8.354 31.202 -11.020 1.00 57.41 O HETATM 1227 O HOH 68 15.587 27.060 -12.829 1.00 39.29 O HETATM 1228 O HOH 69 13.508 6.425 -0.936 1.00 59.28 O HETATM 1229 O HOH 70 28.002 8.197 -10.253 1.00 59.66 O HETATM 1230 O HOH 71 23.746 33.321 0.198 1.00 64.49 O HETATM 1231 O HOH 72 14.232 5.579 -3.617 1.00 60.80 O HETATM 1232 O HOH 73 5.569 29.329 -7.838 1.00 65.60 O HETATM 1233 O HOH 74 12.801 13.594 8.829 1.00 57.53 O HETATM 1234 O HOH 75 22.531 12.292 -10.263 1.00 31.19 O HETATM 1235 O HOH 76 10.985 9.222 2.049 1.00 59.95 O HETATM 1236 O HOH 77 20.164 5.949 -11.301 1.00 50.40 O HETATM 1237 O HOH 78 30.136 10.166 -9.565 1.00 57.40 O HETATM 1238 O HOH 79 12.175 8.480 4.072 1.00 69.27 O HETATM 1239 O HOH 80 9.469 15.886 -0.897 1.00 50.63 O HETATM 1240 O HOH 81 26.416 27.482 9.396 1.00 64.73 O HETATM 1241 O HOH 82 11.922 10.199 -2.382 1.00 49.54 O HETATM 1242 O HOH 83 12.672 8.951 -5.165 1.00 45.56 O HETATM 1243 O HOH 84 32.898 17.117 -2.288 1.00 52.26 O HETATM 1244 O HOH 85 28.236 23.539 -8.234 1.00 64.49 O HETATM 1245 O HOH 86 22.075 17.903 -14.358 1.00 59.75 O HETATM 1246 O HOH 87 21.564 14.659 -13.826 1.00 58.30 O HETATM 1247 O HOH 88 25.756 9.733 -11.475 1.00 48.94 O HETATM 1248 O HOH 89 23.557 9.693 -10.235 1.00 39.33 O HETATM 1249 O HOH 90 18.889 14.362 -12.560 1.00 53.17 O HETATM 1250 O HOH 91 32.922 19.712 -4.048 1.00 61.89 O HETATM 1251 O HOH 92 26.398 33.387 1.890 1.00 65.02 O HETATM 1252 O HOH 93 21.781 8.518 -11.550 1.00 48.49 O HETATM 1253 C01 JR A 5 24.710 11.348 0.499 1.00 0.05 C HETATM 1254 N02 JR A 5 25.359 10.005 0.593 1.00 -0.21 N HETATM 1255 C06 JR A 5 26.697 9.771 0.367 1.00 0.18 C HETATM 1256 C05 JR A 5 26.928 8.423 0.547 1.00 -0.01 C HETATM 1257 C04 JR A 5 25.702 7.855 0.928 1.00 -0.01 C HETATM 1258 C27 JR A 5 25.902 6.359 1.169 1.00 -0.02 C HETATM 1259 C26 JR A 5 27.407 6.149 1.228 1.00 -0.04 C HETATM 1260 C25 JR A 5 28.011 7.349 0.530 1.00 -0.04 C HETATM 1261 H15 JR A 5 28.905 7.697 1.069 1.00 0.03 H HETATM 1262 H16 JR A 5 28.283 7.094 -0.505 1.00 0.03 H HETATM 1263 H17 JR A 5 27.748 6.100 2.273 1.00 0.03 H HETATM 1264 H18 JR A 5 27.686 5.221 0.708 1.00 0.03 H HETATM 1265 H19 JR A 5 25.465 5.776 0.345 1.00 0.04 H HETATM 1266 H20 JR A 5 25.435 6.058 2.118 1.00 0.04 H HETATM 1267 N03 JR A 5 24.761 8.859 0.936 1.00 -0.26 N HETATM 1268 N07 JR A 5 27.654 10.875 -0.074 1.00 -0.21 N HETATM 1269 C08 JR A 5 28.840 10.610 -0.864 1.00 0.23 C HETATM 1270 C10 JR A 5 29.664 11.830 -1.311 1.00 0.14 C HETATM 1271 C11 JR A 5 29.367 12.056 -2.539 1.00 -0.01 C HETATM 1272 C12 JR A 5 30.712 12.198 -3.334 1.00 -0.03 C HETATM 1273 C13 JR A 5 31.817 11.692 -2.396 1.00 0.03 C HETATM 1274 N14 JR A 5 31.263 11.490 -1.226 1.00 -0.21 N HETATM 1275 S15 JR A 5 32.034 11.165 0.228 1.00 0.07 S HETATM 1276 C18 JR A 5 33.181 12.560 0.671 1.00 0.10 C HETATM 1277 C19 JR A 5 34.393 12.283 1.304 1.00 -0.04 C HETATM 1278 C20 JR A 5 35.257 13.331 1.640 1.00 -0.03 C HETATM 1279 C21 JR A 5 34.903 14.669 1.334 1.00 0.13 C HETATM 1280 C23 JR A 5 33.683 14.945 0.689 1.00 -0.03 C HETATM 1281 C24 JR A 5 32.819 13.902 0.360 1.00 -0.04 C HETATM 1282 H14 JR A 5 31.875 14.111 -0.131 1.00 0.06 H HETATM 1283 H13 JR A 5 33.416 15.968 0.448 1.00 0.06 H HETATM 1284 F22 JR A 5 35.766 15.702 1.671 1.00 -0.18 F HETATM 1285 H12 JR A 5 36.198 13.120 2.135 1.00 0.06 H HETATM 1286 H11 JR A 5 34.664 11.259 1.535 1.00 0.06 H HETATM 1287 O16 JR A 5 31.038 10.925 1.264 1.00 -0.15 O HETATM 1288 O17 JR A 5 32.734 9.854 0.154 1.00 -0.15 O HETATM 1289 H9 JR A 5 32.615 12.445 -2.311 1.00 0.05 H HETATM 1290 H10 JR A 5 32.239 10.752 -2.782 1.00 0.05 H HETATM 1291 H7 JR A 5 30.889 13.251 -3.599 1.00 0.03 H HETATM 1292 H8 JR A 5 30.680 11.589 -4.250 1.00 0.03 H HETATM 1293 H5 JR A 5 28.784 12.985 -2.619 1.00 0.03 H HETATM 1294 H6 JR A 5 28.779 11.219 -2.943 1.00 0.03 H HETATM 1295 H4 JR A 5 29.428 12.703 -0.685 1.00 0.08 H HETATM 1296 O09 JR A 5 29.136 9.521 -1.176 1.00 -0.38 O HETATM 1297 H21 JR A 5 27.455 11.818 0.193 1.00 0.23 H HETATM 1298 H1 JR A 5 23.638 11.254 0.727 1.00 0.06 H HETATM 1299 H2 JR A 5 24.835 11.745 -0.519 1.00 0.06 H HETATM 1300 H3 JR A 5 25.179 12.033 1.220 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1253 1254 1298 1299 1300 CONECT 1254 1253 1255 1267 CONECT 1255 1254 1256 1268 CONECT 1256 1255 1257 1260 CONECT 1257 1256 1258 1267 CONECT 1258 1257 1259 1265 1266 CONECT 1259 1258 1260 1263 1264 CONECT 1260 1256 1259 1261 1262 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1259 CONECT 1264 1259 CONECT 1265 1258 CONECT 1266 1258 CONECT 1267 1254 1257 CONECT 1268 1255 1269 1297 CONECT 1269 1268 1270 1296 CONECT 1270 1269 1271 1274 1295 CONECT 1271 1270 1272 1293 1294 CONECT 1272 1271 1273 1291 1292 CONECT 1273 1272 1274 1289 1290 CONECT 1274 1270 1273 1275 CONECT 1275 1274 1276 1287 1288 CONECT 1276 1275 1277 1281 CONECT 1277 1276 1278 1286 CONECT 1278 1277 1279 1285 CONECT 1279 1278 1280 1284 CONECT 1280 1279 1281 1283 CONECT 1281 1276 1280 1282 CONECT 1282 1281 CONECT 1283 1280 CONECT 1284 1279 CONECT 1285 1278 CONECT 1286 1277 CONECT 1287 1275 CONECT 1288 1275 CONECT 1289 1273 CONECT 1290 1273 CONECT 1291 1272 CONECT 1292 1272 CONECT 1293 1271 CONECT 1294 1271 CONECT 1295 1270 CONECT 1296 1269 CONECT 1297 1268 CONECT 1298 1253 CONECT 1299 1253 CONECT 1300 1253 MASTER 0 0 0 0 0 0 0 0 1299 1 52 9 END
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Structure:
Ligand 2D
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Related entries of code: 5or9
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%
4nra
RCSB PDB
PDBbind
117aa, >4NRA_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%
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
5or9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2B
Ligand Name
JR5
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=88uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J Chem Inf Model Vol. 57: pp. 2584-2597
Ligand Properties
Formula
C
1
8
H
2
1
FN
4
O
3
S
Molecular Weight
392.448
Exact Mass
392.132
No. of atoms
48
No. of bonds
51
Polar Surface Area
92.68
LOGP Value
1.93 (
Computed with XLOGP3
)
2.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)F)Nc1n(C)nc2c1CCC2
InChI String
InChI=1S/C18H21FN4O3S/c1-22-17(14-4-2-5-15(14)21-22)20-18(24)16-6-3-11-23(16)27(25,26)13-9-7-12(19)8-10-13/h7-10,16H,2-6,11H2,1H3,(H,20,24)/t16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UIF8
Entrez Gene ID
NCBI Entrez Gene ID:
29994
ASD
Information of known allosteric effects of PDB entries
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