Browse entries in the PDBbind-CN Database
HEADER 5MGJ_COMPLEX COMPND 5MGJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 HIS SER ASP LEU THR PHE CYS GLU ILE ILE LEU MET GLU SEQRES 2 A 103 MET GLU SER HIS ASP ALA ALA TRP PRO PHE LEU GLU PRO SEQRES 3 A 103 VAL ASN PRO ARG LEU VAL SER GLY TYR ARG ARG ILE ILE SEQRES 4 A 103 LYS ASN PRO MET ASP PHE SER THR MET ARG GLU ARG LEU SEQRES 5 A 103 LEU ARG GLY GLY TYR THR SER SER GLU GLU PHE ALA ALA SEQRES 6 A 103 ASP ALA LEU LEU VAL PHE ASP ASN CYS GLN THR PHE ASN SEQRES 7 A 103 GLU ASP ASP SER GLU VAL GLY LYS ALA GLY HIS ILE MET SEQRES 8 A 103 ARG ARG PHE PHE GLU SER ARG TRP GLU GLU PHE TYR HET UNN A 228 26 ATOM 1 N HIS A1796 28.000 -9.561 39.342 1.00 83.76 N ATOM 2 CA HIS A1796 29.399 -9.933 39.527 1.00 81.27 C ATOM 3 C HIS A1796 29.508 -11.171 40.404 1.00 77.20 C ATOM 4 O HIS A1796 30.257 -12.093 40.092 1.00 74.27 O ATOM 5 CB HIS A1796 30.198 -8.776 40.147 1.00 84.95 C ATOM 6 CG HIS A1796 31.662 -9.065 40.317 1.00 87.29 C ATOM 7 ND1 HIS A1796 32.500 -9.328 39.253 1.00 87.20 N ATOM 8 CD2 HIS A1796 32.437 -9.122 41.428 1.00 84.55 C ATOM 9 CE1 HIS A1796 33.725 -9.539 39.702 1.00 84.60 C ATOM 10 NE2 HIS A1796 33.716 -9.419 41.016 1.00 82.48 N ATOM 11 HN3 HIS A1796 27.571 -9.360 40.268 1.00 0.00 H ATOM 12 HN2 HIS A1796 27.491 -10.345 38.886 1.00 0.00 H ATOM 13 HN1 HIS A1796 27.944 -8.714 38.741 1.00 0.00 H ATOM 14 N SER A1797 28.758 -11.184 41.503 1.00 79.03 N ATOM 15 CA SER A1797 28.804 -12.293 42.453 1.00 80.89 C ATOM 16 C SER A1797 28.378 -13.591 41.780 1.00 81.11 C ATOM 17 O SER A1797 28.857 -14.672 42.130 1.00 79.33 O ATOM 18 CB SER A1797 27.915 -12.009 43.670 1.00 79.97 C ATOM 19 OG SER A1797 26.544 -11.973 43.312 1.00 80.36 O ATOM 20 HG SER A1797 25.999 -11.788 44.117 1.00 0.00 H ATOM 21 H SER A1797 28.122 -10.383 41.691 1.00 0.00 H ATOM 22 N ASP A1798 27.475 -13.469 40.810 1.00 78.12 N ATOM 23 CA ASP A1798 27.044 -14.607 40.015 1.00 73.07 C ATOM 24 C ASP A1798 28.242 -15.289 39.350 1.00 70.20 C ATOM 25 O ASP A1798 28.468 -16.487 39.537 1.00 68.61 O ATOM 26 CB ASP A1798 26.023 -14.163 38.965 1.00 71.14 C ATOM 27 CG ASP A1798 24.584 -14.324 39.440 1.00 70.71 C ATOM 28 OD1 ASP A1798 24.367 -14.499 40.658 1.00 68.32 O ATOM 29 OD2 ASP A1798 23.668 -14.277 38.590 1.00 69.43 O ATOM 30 H ASP A1798 27.066 -12.533 40.615 1.00 0.00 H ATOM 31 N LEU A1799 29.019 -14.518 38.596 1.00 64.18 N ATOM 32 CA LEU A1799 30.162 -15.069 37.879 1.00 59.09 C ATOM 33 C LEU A1799 31.333 -15.387 38.810 1.00 54.89 C ATOM 34 O LEU A1799 32.184 -16.218 38.490 1.00 55.44 O ATOM 35 CB LEU A1799 30.605 -14.110 36.771 1.00 58.21 C ATOM 36 CG LEU A1799 29.633 -14.023 35.588 1.00 58.89 C ATOM 37 CD1 LEU A1799 30.070 -12.981 34.566 1.00 61.00 C ATOM 38 CD2 LEU A1799 29.480 -15.387 34.930 1.00 51.47 C ATOM 39 H LEU A1799 28.807 -13.503 38.516 1.00 0.00 H ATOM 40 N THR A1800 31.371 -14.733 39.965 1.00 53.77 N ATOM 41 CA THR A1800 32.411 -15.009 40.950 1.00 50.71 C ATOM 42 C THR A1800 32.268 -16.419 41.524 1.00 48.63 C ATOM 43 O THR A1800 33.245 -17.157 41.624 1.00 45.26 O ATOM 44 CB THR A1800 32.401 -13.971 42.085 1.00 50.00 C ATOM 45 OG1 THR A1800 32.962 -12.742 41.603 1.00 46.39 O ATOM 46 CG2 THR A1800 33.223 -14.463 43.259 1.00 48.88 C ATOM 47 HG1 THR A1800 32.422 -12.410 40.843 1.00 0.00 H ATOM 48 H THR A1800 30.649 -14.013 40.170 1.00 0.00 H ATOM 49 N PHE A1801 31.063 -16.820 41.864 1.00 45.61 N ATOM 50 CA PHE A1801 30.798 -18.200 42.228 1.00 46.37 C ATOM 51 C PHE A1801 31.105 -19.199 41.145 1.00 40.22 C ATOM 52 O PHE A1801 31.625 -20.216 41.446 1.00 44.45 O ATOM 53 CB PHE A1801 29.369 -18.384 42.632 1.00 50.53 C ATOM 54 CG PHE A1801 29.075 -19.724 43.202 1.00 68.68 C ATOM 55 CD1 PHE A1801 29.494 -20.060 44.461 1.00 79.27 C ATOM 56 CD2 PHE A1801 28.367 -20.645 42.487 1.00 75.58 C ATOM 57 CE1 PHE A1801 29.210 -21.283 45.005 1.00 84.40 C ATOM 58 CE2 PHE A1801 28.082 -21.874 43.019 1.00 79.85 C ATOM 59 CZ PHE A1801 28.503 -22.193 44.275 1.00 83.33 C ATOM 60 H PHE A1801 30.282 -16.133 41.872 1.00 0.00 H ATOM 61 N CYS A1802 30.787 -18.900 39.901 1.00 31.97 N ATOM 62 CA CYS A1802 31.097 -19.812 38.799 1.00 31.89 C ATOM 63 C CYS A1802 32.582 -20.145 38.777 1.00 32.38 C ATOM 64 O CYS A1802 32.973 -21.281 38.526 1.00 38.14 O ATOM 65 CB CYS A1802 30.671 -19.230 37.449 1.00 30.76 C ATOM 66 SG CYS A1802 28.893 -19.119 37.280 1.00 38.82 S ATOM 67 H CYS A1802 30.307 -18.000 39.699 1.00 0.00 H ATOM 68 N GLU A1803 33.405 -19.155 39.077 1.00 29.79 N ATOM 69 CA GLU A1803 34.830 -19.378 39.149 1.00 28.24 C ATOM 70 C GLU A1803 35.158 -20.310 40.314 1.00 29.50 C ATOM 71 O GLU A1803 36.028 -21.182 40.211 1.00 28.97 O ATOM 72 CB GLU A1803 35.557 -18.044 39.292 1.00 34.25 C ATOM 73 CG GLU A1803 37.039 -18.159 39.594 1.00 38.89 C ATOM 74 CD GLU A1803 37.800 -18.915 38.533 1.00 36.50 C ATOM 75 OE1 GLU A1803 37.610 -18.599 37.340 1.00 30.73 O ATOM 76 OE2 GLU A1803 38.607 -19.806 38.888 1.00 41.73 O ATOM 77 H GLU A1803 33.022 -18.206 39.263 1.00 0.00 H ATOM 78 N ILE A1804 34.458 -20.124 41.422 1.00 26.37 N ATOM 79 CA ILE A1804 34.742 -20.902 42.618 1.00 30.13 C ATOM 80 C ILE A1804 34.458 -22.379 42.360 1.00 28.77 C ATOM 81 O ILE A1804 35.282 -23.252 42.647 1.00 31.10 O ATOM 82 CB ILE A1804 33.914 -20.412 43.814 1.00 36.31 C ATOM 83 CG1 ILE A1804 34.376 -19.017 44.239 1.00 39.57 C ATOM 84 CG2 ILE A1804 34.026 -21.389 44.971 1.00 39.57 C ATOM 85 CD1 ILE A1804 33.590 -18.437 45.392 1.00 38.94 C ATOM 86 H ILE A1804 33.698 -19.415 41.438 1.00 0.00 H ATOM 87 N ILE A1805 33.303 -22.643 41.771 1.00 26.27 N ATOM 88 CA ILE A1805 32.866 -24.008 41.535 1.00 26.52 C ATOM 89 C ILE A1805 33.667 -24.686 40.411 1.00 28.50 C ATOM 90 O ILE A1805 34.046 -25.851 40.548 1.00 26.45 O ATOM 91 CB ILE A1805 31.341 -24.037 41.249 1.00 30.45 C ATOM 92 CG1 ILE A1805 30.791 -25.455 41.306 1.00 39.68 C ATOM 93 CG2 ILE A1805 30.999 -23.372 39.937 1.00 31.95 C ATOM 94 CD1 ILE A1805 29.275 -25.480 41.303 1.00 45.41 C ATOM 95 H ILE A1805 32.694 -21.855 41.470 1.00 0.00 H ATOM 96 N LEU A1806 33.955 -23.960 39.328 1.00 24.06 N ATOM 97 CA LEU A1806 34.752 -24.506 38.238 1.00 23.57 C ATOM 98 C LEU A1806 36.130 -24.934 38.763 1.00 28.29 C ATOM 99 O LEU A1806 36.590 -26.040 38.492 1.00 22.58 O ATOM 100 CB LEU A1806 34.897 -23.482 37.098 1.00 24.72 C ATOM 101 CG LEU A1806 35.596 -24.033 35.847 1.00 31.80 C ATOM 102 CD1 LEU A1806 34.992 -25.377 35.454 1.00 29.18 C ATOM 103 CD2 LEU A1806 35.570 -23.070 34.644 1.00 17.50 C ATOM 104 H LEU A1806 33.603 -22.984 39.261 1.00 0.00 H ATOM 105 N MET A1807 36.772 -24.061 39.535 1.00 28.60 N ATOM 106 CA MET A1807 38.056 -24.351 40.174 1.00 25.31 C ATOM 107 C MET A1807 37.956 -25.584 41.070 1.00 21.78 C ATOM 108 O MET A1807 38.845 -26.429 41.119 1.00 27.13 O ATOM 109 CB MET A1807 38.526 -23.125 40.984 1.00 25.58 C ATOM 110 CG MET A1807 39.494 -23.415 42.138 1.00 29.07 C ATOM 111 SD MET A1807 39.835 -21.970 43.191 1.00 40.21 S ATOM 112 CE MET A1807 38.183 -21.525 43.705 1.00 25.88 C ATOM 113 H MET A1807 36.341 -23.128 39.692 1.00 0.00 H ATOM 114 N GLU A1808 36.862 -25.670 41.805 1.00 20.25 N ATOM 115 CA GLU A1808 36.662 -26.805 42.699 1.00 21.57 C ATOM 116 C GLU A1808 36.384 -28.097 41.920 1.00 20.86 C ATOM 117 O GLU A1808 36.764 -29.184 42.351 1.00 25.15 O ATOM 118 CB GLU A1808 35.537 -26.500 43.679 1.00 24.63 C ATOM 119 CG GLU A1808 35.958 -25.513 44.784 1.00 28.03 C ATOM 120 CD GLU A1808 34.856 -25.265 45.813 1.00 40.10 C ATOM 121 OE1 GLU A1808 33.746 -25.805 45.638 1.00 45.55 O ATOM 122 OE2 GLU A1808 35.096 -24.528 46.796 1.00 40.55 O ATOM 123 H GLU A1808 36.139 -24.924 41.746 1.00 0.00 H ATOM 124 N MET A1809 35.755 -27.986 40.755 1.00 21.64 N ATOM 125 CA MET A1809 35.574 -29.165 39.910 1.00 23.31 C ATOM 126 C MET A1809 36.885 -29.563 39.233 1.00 19.18 C ATOM 127 O MET A1809 37.228 -30.730 39.190 1.00 24.48 O ATOM 128 CB MET A1809 34.483 -28.930 38.871 1.00 17.01 C ATOM 129 CG MET A1809 33.107 -28.817 39.507 1.00 23.25 C ATOM 130 SD MET A1809 31.773 -29.003 38.324 1.00 32.55 S ATOM 131 CE MET A1809 31.818 -27.394 37.534 1.00 23.15 C ATOM 132 H MET A1809 35.392 -27.062 40.445 1.00 0.00 H ATOM 133 N GLU A1810 37.624 -28.588 38.727 1.00 16.89 N ATOM 134 CA GLU A1810 38.908 -28.865 38.079 1.00 26.43 C ATOM 135 C GLU A1810 39.896 -29.592 39.007 1.00 25.59 C ATOM 136 O GLU A1810 40.695 -30.426 38.564 1.00 22.10 O ATOM 137 CB GLU A1810 39.536 -27.553 37.573 1.00 25.44 C ATOM 138 CG GLU A1810 38.776 -26.903 36.405 1.00 29.42 C ATOM 139 CD GLU A1810 39.298 -25.518 36.061 1.00 34.81 C ATOM 140 OE1 GLU A1810 39.553 -24.719 36.987 1.00 37.39 O ATOM 141 OE2 GLU A1810 39.455 -25.227 34.860 1.00 35.18 O ATOM 142 H GLU A1810 37.286 -27.606 38.791 1.00 0.00 H ATOM 143 N SER A1811 39.836 -29.293 40.298 1.00 21.89 N ATOM 144 CA SER A1811 40.785 -29.897 41.222 1.00 29.97 C ATOM 145 C SER A1811 40.214 -31.117 41.947 1.00 27.73 C ATOM 146 O SER A1811 40.883 -31.711 42.796 1.00 23.89 O ATOM 147 CB SER A1811 41.251 -28.861 42.237 1.00 33.98 C ATOM 148 OG SER A1811 40.188 -28.529 43.106 1.00 39.34 O ATOM 149 HG SER A1811 39.437 -28.157 42.579 1.00 0.00 H ATOM 150 H SER A1811 39.115 -28.631 40.648 1.00 0.00 H ATOM 151 N HIS A1812 38.987 -31.502 41.605 1.00 22.77 N ATOM 152 CA HIS A1812 38.345 -32.644 42.246 1.00 21.08 C ATOM 153 C HIS A1812 39.034 -33.959 41.879 1.00 24.14 C ATOM 154 O HIS A1812 39.485 -34.127 40.752 1.00 21.17 O ATOM 155 CB HIS A1812 36.868 -32.685 41.870 1.00 20.01 C ATOM 156 CG HIS A1812 36.025 -33.521 42.783 1.00 23.07 C ATOM 157 ND1 HIS A1812 36.108 -34.896 42.825 1.00 18.83 N ATOM 158 CD2 HIS A1812 35.069 -33.176 43.675 1.00 29.47 C ATOM 159 CE1 HIS A1812 35.235 -35.363 43.699 1.00 20.87 C ATOM 160 NE2 HIS A1812 34.591 -34.338 44.230 1.00 30.25 N ATOM 161 H HIS A1812 38.476 -30.978 40.866 1.00 0.00 H ATOM 162 N ASP A1813 39.138 -34.868 42.851 1.00 22.49 N ATOM 163 CA ASP A1813 39.687 -36.205 42.622 1.00 22.41 C ATOM 164 C ASP A1813 39.032 -36.933 41.443 1.00 24.23 C ATOM 165 O ASP A1813 39.703 -37.654 40.710 1.00 22.15 O ATOM 166 CB ASP A1813 39.533 -37.073 43.875 1.00 24.73 C ATOM 167 CG ASP A1813 40.525 -36.712 44.982 1.00 28.27 C ATOM 168 OD1 ASP A1813 41.441 -35.889 44.751 1.00 23.14 O ATOM 169 OD2 ASP A1813 40.392 -37.279 46.085 1.00 33.84 O ATOM 170 H ASP A1813 38.817 -34.616 43.808 1.00 0.00 H ATOM 171 N ALA A1814 37.720 -36.756 41.286 1.00 19.16 N ATOM 172 CA ALA A1814 36.944 -37.471 40.257 1.00 18.56 C ATOM 173 C ALA A1814 36.860 -36.728 38.920 1.00 20.26 C ATOM 174 O ALA A1814 36.092 -37.124 38.031 1.00 18.56 O ATOM 175 CB ALA A1814 35.530 -37.753 40.777 1.00 18.78 C ATOM 176 H ALA A1814 37.226 -36.089 41.913 1.00 0.00 H ATOM 177 N ALA A1815 37.651 -35.664 38.771 1.00 23.18 N ATOM 178 CA ALA A1815 37.532 -34.767 37.622 1.00 23.97 C ATOM 179 C ALA A1815 38.237 -35.271 36.369 1.00 25.31 C ATOM 180 O ALA A1815 37.974 -34.780 35.278 1.00 22.73 O ATOM 181 CB ALA A1815 38.075 -33.394 37.975 1.00 22.58 C ATOM 182 H ALA A1815 38.373 -35.467 39.493 1.00 0.00 H ATOM 183 N TRP A1816 39.127 -36.244 36.521 1.00 21.28 N ATOM 184 CA TRP A1816 40.035 -36.628 35.431 1.00 23.10 C ATOM 185 C TRP A1816 39.354 -36.925 34.056 1.00 30.79 C ATOM 186 O TRP A1816 39.962 -36.673 33.017 1.00 27.25 O ATOM 187 CB TRP A1816 40.897 -37.828 35.881 1.00 18.38 C ATOM 188 CG TRP A1816 40.092 -39.034 36.276 1.00 23.37 C ATOM 189 CD1 TRP A1816 39.603 -39.325 37.512 1.00 23.74 C ATOM 190 CD2 TRP A1816 39.656 -40.091 35.414 1.00 25.82 C ATOM 191 NE1 TRP A1816 38.896 -40.503 37.482 1.00 23.03 N ATOM 192 CE2 TRP A1816 38.902 -40.992 36.198 1.00 27.66 C ATOM 193 CE3 TRP A1816 39.816 -40.360 34.046 1.00 21.96 C ATOM 194 CZ2 TRP A1816 38.322 -42.145 35.677 1.00 33.46 C ATOM 195 CZ3 TRP A1816 39.241 -41.506 33.522 1.00 33.90 C ATOM 196 CH2 TRP A1816 38.501 -42.388 34.335 1.00 38.01 C ATOM 197 HE1 TRP A1816 38.432 -40.951 38.298 1.00 0.00 H ATOM 198 H TRP A1816 39.183 -36.745 37.431 1.00 0.00 H ATOM 199 N PRO A1817 38.093 -37.428 34.025 1.00 25.80 N ATOM 200 CA PRO A1817 37.558 -37.622 32.663 1.00 17.96 C ATOM 201 C PRO A1817 37.110 -36.349 31.963 1.00 25.45 C ATOM 202 O PRO A1817 36.867 -36.390 30.748 1.00 26.04 O ATOM 203 CB PRO A1817 36.338 -38.530 32.885 1.00 20.42 C ATOM 204 CG PRO A1817 36.519 -39.120 34.254 1.00 22.70 C ATOM 205 CD PRO A1817 37.215 -38.052 35.036 1.00 18.35 C ATOM 206 N PHE A1818 37.005 -35.246 32.701 1.00 23.37 N ATOM 207 CA PHE A1818 36.277 -34.067 32.220 1.00 23.70 C ATOM 208 C PHE A1818 37.152 -32.825 32.079 1.00 21.27 C ATOM 209 O PHE A1818 36.667 -31.745 31.743 1.00 20.00 O ATOM 210 CB PHE A1818 35.102 -33.778 33.161 1.00 24.36 C ATOM 211 CG PHE A1818 34.319 -35.006 33.519 1.00 22.57 C ATOM 212 CD1 PHE A1818 33.573 -35.667 32.548 1.00 17.81 C ATOM 213 CD2 PHE A1818 34.371 -35.536 34.810 1.00 26.92 C ATOM 214 CE1 PHE A1818 32.884 -36.808 32.845 1.00 17.77 C ATOM 215 CE2 PHE A1818 33.658 -36.693 35.135 1.00 17.99 C ATOM 216 CZ PHE A1818 32.916 -37.330 34.154 1.00 20.02 C ATOM 217 H PHE A1818 37.450 -35.220 33.641 1.00 0.00 H ATOM 218 N LEU A1819 38.443 -32.985 32.328 1.00 22.01 N ATOM 219 CA LEU A1819 39.373 -31.862 32.283 1.00 26.90 C ATOM 220 C LEU A1819 39.620 -31.364 30.870 1.00 25.93 C ATOM 221 O LEU A1819 39.839 -30.177 30.670 1.00 32.00 O ATOM 222 CB LEU A1819 40.713 -32.242 32.910 1.00 18.31 C ATOM 223 CG LEU A1819 40.705 -32.720 34.359 1.00 29.91 C ATOM 224 CD1 LEU A1819 42.102 -33.180 34.770 1.00 30.62 C ATOM 225 CD2 LEU A1819 40.208 -31.600 35.252 1.00 23.63 C ATOM 226 H LEU A1819 38.802 -33.933 32.561 1.00 0.00 H ATOM 227 N GLU A1820 39.616 -32.283 29.907 1.00 24.88 N ATOM 228 CA GLU A1820 39.913 -31.965 28.505 1.00 22.75 C ATOM 229 C GLU A1820 38.853 -32.533 27.569 1.00 24.91 C ATOM 230 O GLU A1820 38.213 -33.525 27.916 1.00 24.10 O ATOM 231 CB GLU A1820 41.292 -32.520 28.117 1.00 27.54 C ATOM 232 CG GLU A1820 42.466 -31.841 28.821 1.00 42.08 C ATOM 233 CD GLU A1820 42.661 -30.399 28.373 1.00 46.78 C ATOM 234 OE1 GLU A1820 42.449 -30.119 27.168 1.00 42.89 O ATOM 235 OE2 GLU A1820 43.021 -29.550 29.227 1.00 43.17 O ATOM 236 H GLU A1820 39.393 -33.267 30.158 1.00 0.00 H ATOM 237 N PRO A1821 38.680 -31.929 26.371 1.00 28.02 N ATOM 238 CA PRO A1821 37.743 -32.492 25.389 1.00 26.88 C ATOM 239 C PRO A1821 38.025 -33.964 25.135 1.00 30.14 C ATOM 240 O PRO A1821 39.181 -34.376 25.114 1.00 27.61 O ATOM 241 CB PRO A1821 38.011 -31.660 24.121 1.00 26.35 C ATOM 242 CG PRO A1821 38.509 -30.374 24.627 1.00 30.36 C ATOM 243 CD PRO A1821 39.330 -30.711 25.857 1.00 30.37 C ATOM 244 N VAL A1822 36.981 -34.761 24.983 1.00 24.32 N ATOM 245 CA VAL A1822 37.169 -36.155 24.616 1.00 22.05 C ATOM 246 C VAL A1822 37.804 -36.228 23.229 1.00 29.78 C ATOM 247 O VAL A1822 37.400 -35.516 22.314 1.00 27.27 O ATOM 248 CB VAL A1822 35.834 -36.932 24.638 1.00 21.70 C ATOM 249 CG1 VAL A1822 35.998 -38.318 24.034 1.00 17.91 C ATOM 250 CG2 VAL A1822 35.310 -37.026 26.079 1.00 22.51 C ATOM 251 H VAL A1822 36.021 -34.389 25.127 1.00 0.00 H ATOM 252 N ASN A1823 38.808 -37.086 23.087 1.00 35.20 N ATOM 253 CA ASN A1823 39.482 -37.280 21.815 1.00 27.59 C ATOM 254 C ASN A1823 38.804 -38.396 21.027 1.00 27.52 C ATOM 255 O ASN A1823 38.994 -39.577 21.316 1.00 32.01 O ATOM 256 CB ASN A1823 40.963 -37.591 22.042 1.00 27.19 C ATOM 257 CG ASN A1823 41.766 -37.559 20.754 1.00 33.12 C ATOM 258 OD1 ASN A1823 41.201 -37.542 19.661 1.00 30.29 O ATOM 259 ND2 ASN A1823 43.097 -37.544 20.879 1.00 27.50 N ATOM 260 HD22 ASN A1823 43.531 -37.559 21.824 1.00 0.00 H ATOM 261 HD21 ASN A1823 43.699 -37.517 20.031 1.00 0.00 H ATOM 262 H ASN A1823 39.121 -37.636 23.912 1.00 0.00 H ATOM 263 N PRO A1824 38.013 -38.021 20.018 1.00 23.01 N ATOM 264 CA PRO A1824 37.195 -38.989 19.284 1.00 26.48 C ATOM 265 C PRO A1824 38.038 -40.013 18.530 1.00 29.13 C ATOM 266 O PRO A1824 37.527 -41.081 18.181 1.00 31.65 O ATOM 267 CB PRO A1824 36.413 -38.112 18.308 1.00 26.65 C ATOM 268 CG PRO A1824 37.323 -36.947 18.059 1.00 24.94 C ATOM 269 CD PRO A1824 37.967 -36.681 19.407 1.00 21.19 C ATOM 270 N ARG A1825 39.302 -39.688 18.270 1.00 24.18 N ATOM 271 CA ARG A1825 40.211 -40.632 17.627 1.00 24.68 C ATOM 272 C ARG A1825 40.540 -41.782 18.560 1.00 30.91 C ATOM 273 O ARG A1825 40.862 -42.881 18.116 1.00 33.79 O ATOM 274 CB ARG A1825 41.507 -39.953 17.207 1.00 21.17 C ATOM 275 CG ARG A1825 41.393 -39.010 16.037 1.00 19.77 C ATOM 276 CD ARG A1825 42.619 -38.107 16.011 1.00 21.33 C ATOM 277 NE ARG A1825 42.673 -37.288 14.808 1.00 22.93 N ATOM 278 CZ ARG A1825 43.686 -36.487 14.502 1.00 25.49 C ATOM 279 NH1 ARG A1825 44.724 -36.397 15.318 1.00 19.59 N ATOM 280 NH2 ARG A1825 43.658 -35.771 13.384 1.00 23.24 N ATOM 281 HE ARG A1825 41.870 -37.334 14.149 1.00 0.00 H ATOM 282 HH12 ARG A1825 45.519 -35.770 15.081 1.00 0.00 H ATOM 283 HH11 ARG A1825 44.745 -36.953 16.197 1.00 0.00 H ATOM 284 HH22 ARG A1825 44.454 -35.144 13.148 1.00 0.00 H ATOM 285 HH21 ARG A1825 42.840 -35.837 12.745 1.00 0.00 H ATOM 286 H ARG A1825 39.649 -38.743 18.530 1.00 0.00 H ATOM 287 N LEU A1826 40.465 -41.516 19.861 1.00 30.64 N ATOM 288 CA LEU A1826 40.758 -42.525 20.869 1.00 27.70 C ATOM 289 C LEU A1826 39.500 -43.167 21.451 1.00 36.80 C ATOM 290 O LEU A1826 39.551 -44.265 22.004 1.00 33.90 O ATOM 291 CB LEU A1826 41.597 -41.902 21.977 1.00 28.19 C ATOM 292 CG LEU A1826 42.933 -41.421 21.395 1.00 33.57 C ATOM 293 CD1 LEU A1826 43.658 -40.483 22.349 1.00 33.66 C ATOM 294 CD2 LEU A1826 43.786 -42.621 21.051 1.00 38.83 C ATOM 295 H LEU A1826 40.189 -40.561 20.167 1.00 0.00 H ATOM 296 N VAL A1827 38.361 -42.499 21.317 1.00 35.97 N ATOM 297 CA VAL A1827 37.145 -43.055 21.881 1.00 28.27 C ATOM 298 C VAL A1827 36.123 -43.384 20.798 1.00 36.32 C ATOM 299 O VAL A1827 35.391 -42.518 20.311 1.00 31.28 O ATOM 300 CB VAL A1827 36.534 -42.105 22.924 1.00 27.32 C ATOM 301 CG1 VAL A1827 35.356 -42.754 23.578 1.00 28.84 C ATOM 302 CG2 VAL A1827 37.582 -41.740 23.985 1.00 25.21 C ATOM 303 H VAL A1827 38.340 -41.589 20.814 1.00 0.00 H ATOM 304 N SER A1828 36.085 -44.665 20.446 1.00 40.00 N ATOM 305 CA SER A1828 35.240 -45.167 19.381 1.00 38.67 C ATOM 306 C SER A1828 33.767 -44.860 19.617 1.00 42.38 C ATOM 307 O SER A1828 33.226 -45.098 20.699 1.00 38.65 O ATOM 308 CB SER A1828 35.442 -46.675 19.232 1.00 51.56 C ATOM 309 OG SER A1828 34.626 -47.201 18.200 1.00 61.26 O ATOM 310 HG SER A1828 34.777 -48.177 18.126 1.00 0.00 H ATOM 311 H SER A1828 36.690 -45.338 20.959 1.00 0.00 H ATOM 312 N GLY A1829 33.117 -44.321 18.596 1.00 34.94 N ATOM 313 CA GLY A1829 31.698 -44.038 18.687 1.00 27.13 C ATOM 314 C GLY A1829 31.351 -42.700 19.304 1.00 18.74 C ATOM 315 O GLY A1829 30.192 -42.283 19.250 1.00 22.39 O ATOM 316 H GLY A1829 33.630 -44.098 17.719 1.00 0.00 H ATOM 317 N TYR A1830 32.332 -42.011 19.887 1.00 27.99 N ATOM 318 CA TYR A1830 32.011 -40.806 20.646 1.00 25.45 C ATOM 319 C TYR A1830 31.394 -39.732 19.751 1.00 24.87 C ATOM 320 O TYR A1830 30.364 -39.152 20.097 1.00 24.27 O ATOM 321 CB TYR A1830 33.240 -40.248 21.380 1.00 24.95 C ATOM 322 CG TYR A1830 32.833 -39.268 22.461 1.00 23.91 C ATOM 323 CD1 TYR A1830 32.398 -39.718 23.704 1.00 30.00 C ATOM 324 CD2 TYR A1830 32.835 -37.900 22.226 1.00 23.07 C ATOM 325 CE1 TYR A1830 31.996 -38.831 24.693 1.00 29.80 C ATOM 326 CE2 TYR A1830 32.431 -37.008 23.202 1.00 24.74 C ATOM 327 CZ TYR A1830 32.019 -37.478 24.434 1.00 26.78 C ATOM 328 OH TYR A1830 31.609 -36.596 25.404 1.00 28.40 O ATOM 329 HH TYR A1830 31.350 -37.098 26.217 1.00 0.00 H ATOM 330 H TYR A1830 33.318 -42.329 19.802 1.00 0.00 H ATOM 331 N ARG A1831 32.025 -39.491 18.602 1.00 21.34 N ATOM 332 CA ARG A1831 31.574 -38.516 17.611 1.00 31.93 C ATOM 333 C ARG A1831 30.103 -38.696 17.216 1.00 28.62 C ATOM 334 O ARG A1831 29.321 -37.740 17.203 1.00 28.83 O ATOM 335 CB ARG A1831 32.463 -38.624 16.360 1.00 48.70 C ATOM 336 CG ARG A1831 32.288 -37.518 15.332 1.00 59.00 C ATOM 337 CD ARG A1831 33.002 -37.843 14.002 1.00 63.58 C ATOM 338 NE ARG A1831 34.433 -38.119 14.148 1.00 66.36 N ATOM 339 CZ ARG A1831 35.382 -37.184 14.178 1.00 69.44 C ATOM 340 NH1 ARG A1831 35.061 -35.902 14.073 1.00 69.26 N ATOM 341 NH2 ARG A1831 36.656 -37.530 14.313 1.00 70.76 N ATOM 342 HE ARG A1831 34.729 -39.112 14.234 1.00 0.00 H ATOM 343 HH12 ARG A1831 35.805 -35.176 14.097 1.00 0.00 H ATOM 344 HH11 ARG A1831 34.065 -35.622 13.967 1.00 0.00 H ATOM 345 HH22 ARG A1831 37.394 -36.798 14.336 1.00 0.00 H ATOM 346 HH21 ARG A1831 36.916 -38.533 14.396 1.00 0.00 H ATOM 347 H ARG A1831 32.891 -40.030 18.398 1.00 0.00 H ATOM 348 N ARG A1832 29.748 -39.936 16.887 1.00 23.29 N ATOM 349 CA ARG A1832 28.400 -40.299 16.455 1.00 28.66 C ATOM 350 C ARG A1832 27.339 -40.141 17.554 1.00 32.62 C ATOM 351 O ARG A1832 26.225 -39.677 17.292 1.00 28.20 O ATOM 352 CB ARG A1832 28.414 -41.743 15.924 1.00 32.77 C ATOM 353 CG ARG A1832 27.055 -42.417 15.843 1.00 39.12 C ATOM 354 CD ARG A1832 27.143 -43.823 15.239 1.00 40.13 C ATOM 355 NE ARG A1832 28.027 -44.720 15.987 1.00 45.80 N ATOM 356 CZ ARG A1832 27.702 -45.366 17.108 1.00 43.05 C ATOM 357 NH1 ARG A1832 26.497 -45.233 17.661 1.00 34.82 N ATOM 358 NH2 ARG A1832 28.597 -46.152 17.689 1.00 50.50 N ATOM 359 HE ARG A1832 28.987 -44.865 15.614 1.00 0.00 H ATOM 360 HH12 ARG A1832 26.267 -45.747 18.535 1.00 0.00 H ATOM 361 HH11 ARG A1832 25.787 -44.615 17.218 1.00 0.00 H ATOM 362 HH22 ARG A1832 28.353 -46.660 18.563 1.00 0.00 H ATOM 363 HH21 ARG A1832 29.543 -46.261 17.271 1.00 0.00 H ATOM 364 H ARG A1832 30.467 -40.685 16.940 1.00 0.00 H ATOM 365 N ILE A1833 27.689 -40.515 18.784 1.00 29.86 N ATOM 366 CA ILE A1833 26.735 -40.522 19.889 1.00 27.14 C ATOM 367 C ILE A1833 26.542 -39.169 20.606 1.00 31.19 C ATOM 368 O ILE A1833 25.423 -38.816 20.976 1.00 34.48 O ATOM 369 CB ILE A1833 27.146 -41.585 20.929 1.00 29.48 C ATOM 370 CG1 ILE A1833 26.969 -42.988 20.351 1.00 22.11 C ATOM 371 CG2 ILE A1833 26.339 -41.452 22.207 1.00 25.00 C ATOM 372 CD1 ILE A1833 27.508 -44.065 21.280 1.00 18.23 C ATOM 373 H ILE A1833 28.670 -40.810 18.962 1.00 0.00 H ATOM 374 N ILE A1834 27.617 -38.412 20.815 1.00 29.95 N ATOM 375 CA ILE A1834 27.503 -37.152 21.552 1.00 28.25 C ATOM 376 C ILE A1834 27.510 -35.964 20.596 1.00 28.61 C ATOM 377 O ILE A1834 28.511 -35.681 19.929 1.00 26.32 O ATOM 378 CB ILE A1834 28.637 -36.989 22.599 1.00 32.48 C ATOM 379 CG1 ILE A1834 28.470 -38.007 23.730 1.00 27.06 C ATOM 380 CG2 ILE A1834 28.648 -35.576 23.185 1.00 28.87 C ATOM 381 CD1 ILE A1834 27.116 -37.944 24.442 1.00 27.96 C ATOM 382 H ILE A1834 28.543 -38.717 20.453 1.00 0.00 H ATOM 383 N LYS A1835 26.384 -35.264 20.547 1.00 30.11 N ATOM 384 CA LYS A1835 26.191 -34.170 19.599 1.00 33.07 C ATOM 385 C LYS A1835 26.894 -32.882 20.026 1.00 29.50 C ATOM 386 O LYS A1835 27.487 -32.194 19.204 1.00 36.92 O ATOM 387 CB LYS A1835 24.696 -33.909 19.409 1.00 33.57 C ATOM 388 CG LYS A1835 23.956 -35.057 18.746 1.00 46.97 C ATOM 389 CD LYS A1835 24.570 -35.384 17.385 1.00 55.84 C ATOM 390 CE LYS A1835 23.998 -36.676 16.808 1.00 60.47 C ATOM 391 NZ LYS A1835 24.336 -37.853 17.658 1.00 61.18 N ATOM 392 HZ1 LYS A1835 25.370 -37.949 17.719 1.00 0.00 H ATOM 393 HZ2 LYS A1835 23.942 -37.716 18.611 1.00 0.00 H ATOM 394 HZ3 LYS A1835 23.931 -38.712 17.235 1.00 0.00 H ATOM 395 H LYS A1835 25.614 -35.502 21.205 1.00 0.00 H ATOM 396 N ASN A1836 26.808 -32.557 21.311 1.00 28.24 N ATOM 397 CA ASN A1836 27.410 -31.341 21.844 1.00 31.29 C ATOM 398 C ASN A1836 28.391 -31.663 22.943 1.00 30.26 C ATOM 399 O ASN A1836 28.020 -31.661 24.116 1.00 27.99 O ATOM 400 CB ASN A1836 26.336 -30.393 22.381 1.00 36.08 C ATOM 401 CG ASN A1836 25.288 -30.058 21.344 1.00 49.21 C ATOM 402 OD1 ASN A1836 24.088 -30.111 21.617 1.00 47.29 O ATOM 403 ND2 ASN A1836 25.737 -29.699 20.146 1.00 50.21 N ATOM 404 HD22 ASN A1836 26.760 -29.669 19.962 1.00 0.00 H ATOM 405 HD21 ASN A1836 25.065 -29.448 19.393 1.00 0.00 H ATOM 406 H ASN A1836 26.295 -33.190 21.957 1.00 0.00 H ATOM 407 N PRO A1837 29.640 -31.977 22.568 1.00 29.34 N ATOM 408 CA PRO A1837 30.667 -32.252 23.584 1.00 25.82 C ATOM 409 C PRO A1837 30.899 -31.043 24.500 1.00 26.06 C ATOM 410 O PRO A1837 30.657 -29.898 24.112 1.00 26.44 O ATOM 411 CB PRO A1837 31.924 -32.580 22.754 1.00 26.62 C ATOM 412 CG PRO A1837 31.560 -32.323 21.314 1.00 31.42 C ATOM 413 CD PRO A1837 30.076 -32.340 21.210 1.00 27.14 C ATOM 414 N MET A1838 31.328 -31.303 25.727 1.00 27.15 N ATOM 415 CA MET A1838 31.633 -30.223 26.649 1.00 20.15 C ATOM 416 C MET A1838 32.586 -30.732 27.726 1.00 23.09 C ATOM 417 O MET A1838 32.571 -31.916 28.073 1.00 27.49 O ATOM 418 CB MET A1838 30.350 -29.648 27.257 1.00 19.84 C ATOM 419 CG MET A1838 30.566 -28.424 28.162 1.00 23.23 C ATOM 420 SD MET A1838 31.493 -27.073 27.361 1.00 27.36 S ATOM 421 CE MET A1838 30.394 -26.626 26.014 1.00 25.42 C ATOM 422 H MET A1838 31.447 -32.290 26.032 1.00 0.00 H ATOM 423 N ASP A1839 33.428 -29.844 28.243 1.00 19.74 N ATOM 424 CA ASP A1839 34.410 -30.228 29.259 1.00 21.61 C ATOM 425 C ASP A1839 34.880 -29.016 30.062 1.00 24.12 C ATOM 426 O ASP A1839 34.618 -27.868 29.685 1.00 22.11 O ATOM 427 CB ASP A1839 35.604 -30.910 28.599 1.00 22.92 C ATOM 428 CG ASP A1839 36.416 -29.950 27.780 1.00 30.75 C ATOM 429 OD1 ASP A1839 36.084 -29.742 26.588 1.00 31.77 O ATOM 430 OD2 ASP A1839 37.383 -29.394 28.338 1.00 33.07 O ATOM 431 H ASP A1839 33.389 -28.856 27.920 1.00 0.00 H ATOM 432 N PHE A1840 35.590 -29.262 31.162 1.00 24.59 N ATOM 433 CA PHE A1840 35.914 -28.177 32.077 1.00 22.22 C ATOM 434 C PHE A1840 36.848 -27.134 31.447 1.00 27.60 C ATOM 435 O PHE A1840 36.720 -25.943 31.727 1.00 25.78 O ATOM 436 CB PHE A1840 36.518 -28.735 33.370 1.00 20.07 C ATOM 437 CG PHE A1840 35.545 -29.575 34.182 1.00 20.22 C ATOM 438 CD1 PHE A1840 34.173 -29.433 34.009 1.00 28.42 C ATOM 439 CD2 PHE A1840 36.000 -30.514 35.091 1.00 20.90 C ATOM 440 CE1 PHE A1840 33.277 -30.202 34.733 1.00 24.29 C ATOM 441 CE2 PHE A1840 35.107 -31.292 35.832 1.00 24.69 C ATOM 442 CZ PHE A1840 33.745 -31.141 35.648 1.00 25.46 C ATOM 443 H PHE A1840 35.913 -30.229 31.367 1.00 0.00 H ATOM 444 N SER A1841 37.778 -27.572 30.600 1.00 28.43 N ATOM 445 CA SER A1841 38.731 -26.641 29.992 1.00 32.24 C ATOM 446 C SER A1841 38.021 -25.736 28.995 1.00 29.45 C ATOM 447 O SER A1841 38.357 -24.558 28.867 1.00 30.89 O ATOM 448 CB SER A1841 39.878 -27.383 29.308 1.00 35.94 C ATOM 449 OG SER A1841 39.474 -27.899 28.056 1.00 43.32 O ATOM 450 HG SER A1841 38.722 -28.529 28.187 1.00 0.00 H ATOM 451 H SER A1841 37.828 -28.585 30.368 1.00 0.00 H ATOM 452 N THR A1842 37.030 -26.283 28.301 1.00 26.68 N ATOM 453 CA THR A1842 36.210 -25.472 27.401 1.00 29.38 C ATOM 454 C THR A1842 35.385 -24.455 28.195 1.00 36.34 C ATOM 455 O THR A1842 35.274 -23.292 27.795 1.00 33.59 O ATOM 456 CB THR A1842 35.286 -26.340 26.546 1.00 24.57 C ATOM 457 OG1 THR A1842 36.077 -27.180 25.703 1.00 29.89 O ATOM 458 CG2 THR A1842 34.379 -25.487 25.672 1.00 23.23 C ATOM 459 HG1 THR A1842 36.653 -27.759 26.263 1.00 0.00 H ATOM 460 H THR A1842 36.834 -27.300 28.398 1.00 0.00 H ATOM 461 N MET A1843 34.819 -24.879 29.325 1.00 27.13 N ATOM 462 CA MET A1843 34.097 -23.940 30.183 1.00 24.33 C ATOM 463 C MET A1843 35.020 -22.883 30.770 1.00 25.40 C ATOM 464 O MET A1843 34.618 -21.743 30.944 1.00 29.00 O ATOM 465 CB MET A1843 33.377 -24.662 31.318 1.00 19.93 C ATOM 466 CG MET A1843 32.361 -25.701 30.844 1.00 21.88 C ATOM 467 SD MET A1843 31.776 -26.714 32.206 1.00 25.09 S ATOM 468 CE MET A1843 30.901 -25.486 33.165 1.00 38.44 C ATOM 469 H MET A1843 34.891 -25.880 29.597 1.00 0.00 H ATOM 470 N ARG A1844 36.251 -23.277 31.084 1.00 26.68 N ATOM 471 CA ARG A1844 37.249 -22.359 31.625 1.00 32.40 C ATOM 472 C ARG A1844 37.609 -21.292 30.597 1.00 40.04 C ATOM 473 O ARG A1844 37.648 -20.107 30.918 1.00 42.28 O ATOM 474 CB ARG A1844 38.493 -23.145 32.076 1.00 31.17 C ATOM 475 CG ARG A1844 39.745 -22.344 32.356 1.00 29.82 C ATOM 476 CD ARG A1844 39.580 -21.397 33.512 1.00 35.24 C ATOM 477 NE ARG A1844 39.282 -22.074 34.767 1.00 32.66 N ATOM 478 CZ ARG A1844 38.824 -21.448 35.845 1.00 29.01 C ATOM 479 NH1 ARG A1844 38.607 -20.146 35.801 1.00 34.52 N ATOM 480 NH2 ARG A1844 38.565 -22.116 36.955 1.00 21.12 N ATOM 481 HE ARG A1844 39.436 -23.101 34.822 1.00 0.00 H ATOM 482 HH12 ARG A1844 38.248 -19.650 36.642 1.00 0.00 H ATOM 483 HH11 ARG A1844 38.795 -19.617 34.926 1.00 0.00 H ATOM 484 HH22 ARG A1844 38.207 -21.614 37.792 1.00 0.00 H ATOM 485 HH21 ARG A1844 38.719 -23.144 36.991 1.00 0.00 H ATOM 486 H ARG A1844 36.512 -24.273 30.939 1.00 0.00 H ATOM 487 N GLU A1845 37.848 -21.717 29.358 1.00 38.46 N ATOM 488 CA GLU A1845 38.223 -20.786 28.303 1.00 39.38 C ATOM 489 C GLU A1845 37.140 -19.736 28.122 1.00 34.77 C ATOM 490 O GLU A1845 37.427 -18.545 28.077 1.00 34.93 O ATOM 491 CB GLU A1845 38.481 -21.526 26.989 1.00 48.25 C ATOM 492 CG GLU A1845 39.758 -22.351 27.005 1.00 62.00 C ATOM 493 CD GLU A1845 39.978 -23.135 25.724 1.00 73.04 C ATOM 494 OE1 GLU A1845 39.275 -22.865 24.724 1.00 78.44 O ATOM 495 OE2 GLU A1845 40.859 -24.023 25.721 1.00 75.08 O ATOM 496 H GLU A1845 37.765 -22.731 29.140 1.00 0.00 H ATOM 497 N ARG A1846 35.891 -20.183 28.061 1.00 32.91 N ATOM 498 CA ARG A1846 34.759 -19.284 27.877 1.00 32.96 C ATOM 499 C ARG A1846 34.558 -18.370 29.089 1.00 38.96 C ATOM 500 O ARG A1846 34.235 -17.191 28.941 1.00 41.31 O ATOM 501 CB ARG A1846 33.489 -20.088 27.604 1.00 38.22 C ATOM 502 CG ARG A1846 32.248 -19.236 27.403 1.00 43.72 C ATOM 503 CD ARG A1846 31.058 -20.082 26.956 1.00 44.71 C ATOM 504 NE ARG A1846 29.828 -19.295 26.902 1.00 49.81 N ATOM 505 CZ ARG A1846 28.606 -19.806 26.788 1.00 48.97 C ATOM 506 NH1 ARG A1846 28.430 -21.119 26.719 1.00 49.19 N ATOM 507 NH2 ARG A1846 27.556 -18.997 26.744 1.00 52.06 N ATOM 508 HE ARG A1846 29.915 -18.260 26.957 1.00 0.00 H ATOM 509 HH12 ARG A1846 27.471 -21.511 26.630 1.00 0.00 H ATOM 510 HH11 ARG A1846 29.251 -21.756 26.754 1.00 0.00 H ATOM 511 HH22 ARG A1846 26.598 -19.392 26.655 1.00 0.00 H ATOM 512 HH21 ARG A1846 27.690 -17.967 26.799 1.00 0.00 H ATOM 513 H ARG A1846 35.716 -21.204 28.147 1.00 0.00 H ATOM 514 N LEU A1847 34.747 -18.913 30.290 1.00 28.88 N ATOM 515 CA LEU A1847 34.565 -18.120 31.500 1.00 33.44 C ATOM 516 C LEU A1847 35.615 -17.004 31.568 1.00 37.34 C ATOM 517 O LEU A1847 35.311 -15.865 31.923 1.00 38.06 O ATOM 518 CB LEU A1847 34.647 -19.006 32.751 1.00 28.60 C ATOM 519 CG LEU A1847 34.423 -18.314 34.096 1.00 31.96 C ATOM 520 CD1 LEU A1847 33.028 -17.714 34.175 1.00 28.76 C ATOM 521 CD2 LEU A1847 34.678 -19.270 35.275 1.00 39.03 C ATOM 522 H LEU A1847 35.027 -19.912 30.366 1.00 0.00 H ATOM 523 N LEU A1848 36.849 -17.348 31.212 1.00 35.03 N ATOM 524 CA LEU A1848 37.964 -16.418 31.268 1.00 40.34 C ATOM 525 C LEU A1848 37.810 -15.334 30.216 1.00 52.07 C ATOM 526 O LEU A1848 38.209 -14.190 30.422 1.00 59.30 O ATOM 527 CB LEU A1848 39.283 -17.153 31.060 1.00 33.77 C ATOM 528 CG LEU A1848 39.864 -17.965 32.217 1.00 43.58 C ATOM 529 CD1 LEU A1848 41.141 -18.645 31.747 1.00 39.42 C ATOM 530 CD2 LEU A1848 40.126 -17.105 33.466 1.00 42.44 C ATOM 531 H LEU A1848 37.023 -18.319 30.881 1.00 0.00 H ATOM 532 N ARG A1849 37.229 -15.708 29.082 1.00 51.98 N ATOM 533 CA ARG A1849 37.062 -14.788 27.967 1.00 48.08 C ATOM 534 C ARG A1849 35.722 -14.056 28.101 1.00 53.49 C ATOM 535 O ARG A1849 35.271 -13.387 27.175 1.00 61.39 O ATOM 536 CB ARG A1849 37.160 -15.547 26.640 1.00 50.13 C ATOM 537 CG ARG A1849 37.493 -14.695 25.429 1.00 54.42 C ATOM 538 CD ARG A1849 37.531 -15.545 24.171 1.00 63.16 C ATOM 539 NE ARG A1849 37.198 -14.773 22.974 1.00 74.47 N ATOM 540 CZ ARG A1849 37.361 -15.218 21.730 1.00 80.18 C ATOM 541 NH1 ARG A1849 37.861 -16.428 21.524 1.00 85.49 N ATOM 542 NH2 ARG A1849 37.033 -14.456 20.693 1.00 79.52 N ATOM 543 HE ARG A1849 36.810 -13.817 23.103 1.00 0.00 H ATOM 544 HH12 ARG A1849 37.990 -16.779 20.554 1.00 0.00 H ATOM 545 HH11 ARG A1849 38.125 -17.026 22.333 1.00 0.00 H ATOM 546 HH22 ARG A1849 37.164 -14.812 19.724 1.00 0.00 H ATOM 547 HH21 ARG A1849 36.645 -13.504 20.849 1.00 0.00 H ATOM 548 H ARG A1849 36.884 -16.685 28.988 1.00 0.00 H ATOM 549 N GLY A1850 35.090 -14.194 29.265 1.00 53.20 N ATOM 550 CA GLY A1850 33.888 -13.442 29.596 1.00 52.17 C ATOM 551 C GLY A1850 32.598 -13.913 28.947 1.00 55.46 C ATOM 552 O GLY A1850 31.545 -13.294 29.120 1.00 53.55 O ATOM 553 H GLY A1850 35.469 -14.864 29.964 1.00 0.00 H ATOM 554 N GLY A1851 32.671 -15.021 28.218 1.00 56.23 N ATOM 555 CA GLY A1851 31.568 -15.470 27.383 1.00 55.45 C ATOM 556 C GLY A1851 30.343 -16.082 28.046 1.00 53.14 C ATOM 557 O GLY A1851 29.548 -16.726 27.367 1.00 56.27 O ATOM 558 H GLY A1851 33.544 -15.585 28.245 1.00 0.00 H ATOM 559 N TYR A1852 30.183 -15.897 29.354 1.00 50.89 N ATOM 560 CA TYR A1852 28.960 -16.320 30.036 1.00 48.31 C ATOM 561 C TYR A1852 28.156 -15.102 30.467 1.00 51.97 C ATOM 562 O TYR A1852 28.665 -14.219 31.154 1.00 58.58 O ATOM 563 CB TYR A1852 29.265 -17.203 31.253 1.00 45.96 C ATOM 564 CG TYR A1852 29.684 -18.611 30.901 1.00 42.61 C ATOM 565 CD1 TYR A1852 28.775 -19.507 30.347 1.00 44.44 C ATOM 566 CD2 TYR A1852 30.986 -19.049 31.129 1.00 41.00 C ATOM 567 CE1 TYR A1852 29.152 -20.794 30.018 1.00 37.44 C ATOM 568 CE2 TYR A1852 31.374 -20.336 30.810 1.00 33.41 C ATOM 569 CZ TYR A1852 30.451 -21.203 30.254 1.00 33.65 C ATOM 570 OH TYR A1852 30.825 -22.477 29.924 1.00 28.32 O ATOM 571 HH TYR A1852 30.049 -22.959 29.541 1.00 0.00 H ATOM 572 H TYR A1852 30.942 -15.443 29.902 1.00 0.00 H ATOM 573 N THR A1853 26.897 -15.060 30.056 1.00 52.79 N ATOM 574 CA THR A1853 26.033 -13.921 30.335 1.00 55.93 C ATOM 575 C THR A1853 25.438 -14.024 31.730 1.00 57.81 C ATOM 576 O THR A1853 25.319 -13.028 32.443 1.00 61.65 O ATOM 577 CB THR A1853 24.900 -13.822 29.299 1.00 60.67 C ATOM 578 OG1 THR A1853 25.465 -13.628 27.996 1.00 56.69 O ATOM 579 CG2 THR A1853 23.963 -12.670 29.625 1.00 65.80 C ATOM 580 HG1 THR A1853 24.737 -13.564 27.328 1.00 0.00 H ATOM 581 H THR A1853 26.514 -15.864 29.518 1.00 0.00 H ATOM 582 N SER A1854 25.077 -15.242 32.115 1.00 57.38 N ATOM 583 CA SER A1854 24.458 -15.501 33.410 1.00 51.47 C ATOM 584 C SER A1854 25.084 -16.720 34.059 1.00 50.77 C ATOM 585 O SER A1854 25.810 -17.470 33.407 1.00 48.68 O ATOM 586 CB SER A1854 22.951 -15.711 33.254 1.00 49.67 C ATOM 587 OG SER A1854 22.676 -16.701 32.271 1.00 55.34 O ATOM 588 HG SER A1854 21.697 -16.819 32.188 1.00 0.00 H ATOM 589 H SER A1854 25.242 -16.041 31.470 1.00 0.00 H ATOM 590 N SER A1855 24.797 -16.924 35.341 1.00 51.64 N ATOM 591 CA SER A1855 25.225 -18.144 36.006 1.00 52.50 C ATOM 592 C SER A1855 24.463 -19.338 35.422 1.00 48.63 C ATOM 593 O SER A1855 24.944 -20.468 35.474 1.00 48.25 O ATOM 594 CB SER A1855 25.030 -18.049 37.531 1.00 48.22 C ATOM 595 OG SER A1855 23.664 -17.992 37.908 1.00 44.62 O ATOM 596 HG SER A1855 23.243 -17.195 37.499 1.00 0.00 H ATOM 597 H SER A1855 24.263 -16.206 35.872 1.00 0.00 H ATOM 598 N GLU A1856 23.292 -19.074 34.837 1.00 49.85 N ATOM 599 CA GLU A1856 22.445 -20.126 34.261 1.00 46.62 C ATOM 600 C GLU A1856 23.045 -20.769 33.011 1.00 45.17 C ATOM 601 O GLU A1856 22.905 -21.972 32.800 1.00 48.89 O ATOM 602 CB GLU A1856 21.047 -19.580 33.934 1.00 52.39 C ATOM 603 CG GLU A1856 20.100 -19.392 35.139 1.00 66.84 C ATOM 604 CD GLU A1856 20.638 -18.490 36.255 1.00 79.86 C ATOM 605 OE1 GLU A1856 21.664 -17.798 36.056 1.00 78.63 O ATOM 606 OE2 GLU A1856 20.031 -18.490 37.351 1.00 84.68 O ATOM 607 H GLU A1856 22.968 -18.087 34.788 1.00 0.00 H ATOM 608 N GLU A1857 23.706 -19.966 32.185 1.00 44.94 N ATOM 609 CA GLU A1857 24.382 -20.475 30.996 1.00 47.35 C ATOM 610 C GLU A1857 25.538 -21.373 31.409 1.00 47.21 C ATOM 611 O GLU A1857 25.863 -22.355 30.736 1.00 45.21 O ATOM 612 CB GLU A1857 24.899 -19.325 30.124 1.00 47.70 C ATOM 613 CG GLU A1857 23.823 -18.370 29.623 1.00 56.50 C ATOM 614 CD GLU A1857 24.329 -17.438 28.532 1.00 64.10 C ATOM 615 OE1 GLU A1857 23.538 -16.596 28.050 1.00 67.25 O ATOM 616 OE2 GLU A1857 25.519 -17.543 28.160 1.00 60.84 O ATOM 617 H GLU A1857 23.743 -18.947 32.391 1.00 0.00 H ATOM 618 N PHE A1858 26.167 -21.011 32.521 1.00 42.70 N ATOM 619 CA PHE A1858 27.306 -21.755 33.022 1.00 37.92 C ATOM 620 C PHE A1858 26.817 -23.108 33.501 1.00 34.57 C ATOM 621 O PHE A1858 27.425 -24.136 33.212 1.00 37.82 O ATOM 622 CB PHE A1858 28.000 -20.980 34.143 1.00 35.35 C ATOM 623 CG PHE A1858 29.064 -21.757 34.860 1.00 29.40 C ATOM 624 CD1 PHE A1858 28.774 -22.430 36.044 1.00 25.14 C ATOM 625 CD2 PHE A1858 30.359 -21.794 34.372 1.00 25.11 C ATOM 626 CE1 PHE A1858 29.755 -23.147 36.724 1.00 22.50 C ATOM 627 CE2 PHE A1858 31.348 -22.498 35.041 1.00 22.48 C ATOM 628 CZ PHE A1858 31.047 -23.180 36.226 1.00 22.01 C ATOM 629 H PHE A1858 25.835 -20.175 33.044 1.00 0.00 H ATOM 630 N ALA A1859 25.695 -23.105 34.209 1.00 34.14 N ATOM 631 CA ALA A1859 25.155 -24.335 34.767 1.00 33.28 C ATOM 632 C ALA A1859 24.785 -25.320 33.662 1.00 33.34 C ATOM 633 O ALA A1859 24.952 -26.530 33.818 1.00 33.43 O ATOM 634 CB ALA A1859 23.953 -24.033 35.640 1.00 32.65 C ATOM 635 H ALA A1859 25.193 -22.208 34.368 1.00 0.00 H ATOM 636 N ALA A1860 24.305 -24.789 32.541 1.00 31.36 N ATOM 637 CA ALA A1860 23.906 -25.617 31.411 1.00 31.69 C ATOM 638 C ALA A1860 25.091 -26.388 30.853 1.00 32.02 C ATOM 639 O ALA A1860 24.980 -27.578 30.561 1.00 36.87 O ATOM 640 CB ALA A1860 23.274 -24.766 30.324 1.00 36.29 C ATOM 641 H ALA A1860 24.212 -23.756 32.469 1.00 0.00 H ATOM 642 N ASP A1861 26.227 -25.709 30.707 1.00 26.90 N ATOM 643 CA ASP A1861 27.449 -26.367 30.245 1.00 25.42 C ATOM 644 C ASP A1861 27.905 -27.443 31.231 1.00 27.29 C ATOM 645 O ASP A1861 28.329 -28.531 30.831 1.00 25.22 O ATOM 646 CB ASP A1861 28.566 -25.342 30.033 1.00 32.81 C ATOM 647 CG ASP A1861 28.592 -24.784 28.614 1.00 37.73 C ATOM 648 OD1 ASP A1861 27.889 -25.321 27.727 1.00 36.65 O ATOM 649 OD2 ASP A1861 29.334 -23.808 28.387 1.00 42.90 O ATOM 650 H ASP A1861 26.246 -24.692 30.925 1.00 0.00 H ATOM 651 N ALA A1862 27.816 -27.140 32.524 1.00 26.13 N ATOM 652 CA ALA A1862 28.204 -28.106 33.541 1.00 25.07 C ATOM 653 C ALA A1862 27.320 -29.357 33.442 1.00 25.87 C ATOM 654 O ALA A1862 27.816 -30.479 33.399 1.00 24.91 O ATOM 655 CB ALA A1862 28.111 -27.490 34.920 1.00 28.58 C ATOM 656 H ALA A1862 27.466 -26.204 32.810 1.00 0.00 H ATOM 657 N LEU A1863 26.010 -29.145 33.373 1.00 28.53 N ATOM 658 CA LEU A1863 25.054 -30.244 33.278 1.00 29.04 C ATOM 659 C LEU A1863 25.210 -31.039 31.988 1.00 27.39 C ATOM 660 O LEU A1863 24.951 -32.251 31.952 1.00 23.45 O ATOM 661 CB LEU A1863 23.621 -29.708 33.384 1.00 32.62 C ATOM 662 CG LEU A1863 23.176 -29.090 34.713 1.00 40.35 C ATOM 663 CD1 LEU A1863 21.709 -28.696 34.652 1.00 40.36 C ATOM 664 CD2 LEU A1863 23.439 -30.031 35.891 1.00 38.17 C ATOM 665 H LEU A1863 25.655 -28.167 33.387 1.00 0.00 H ATOM 666 N LEU A1864 25.613 -30.348 30.925 1.00 26.95 N ATOM 667 CA LEU A1864 25.857 -30.991 29.641 1.00 31.31 C ATOM 668 C LEU A1864 27.031 -31.966 29.756 1.00 31.87 C ATOM 669 O LEU A1864 26.991 -33.066 29.189 1.00 26.86 O ATOM 670 CB LEU A1864 26.119 -29.943 28.546 1.00 28.33 C ATOM 671 CG LEU A1864 26.456 -30.457 27.140 1.00 26.27 C ATOM 672 CD1 LEU A1864 25.309 -31.258 26.564 1.00 20.23 C ATOM 673 CD2 LEU A1864 26.803 -29.303 26.200 1.00 23.21 C ATOM 674 H LEU A1864 25.758 -29.322 31.013 1.00 0.00 H ATOM 675 N VAL A1865 28.064 -31.577 30.503 1.00 28.11 N ATOM 676 CA VAL A1865 29.178 -32.483 30.769 1.00 16.73 C ATOM 677 C VAL A1865 28.651 -33.832 31.300 1.00 23.61 C ATOM 678 O VAL A1865 28.983 -34.895 30.774 1.00 16.31 O ATOM 679 CB VAL A1865 30.181 -31.880 31.781 1.00 25.19 C ATOM 680 CG1 VAL A1865 31.245 -32.900 32.153 1.00 23.59 C ATOM 681 CG2 VAL A1865 30.829 -30.607 31.221 1.00 16.94 C ATOM 682 H VAL A1865 28.077 -30.616 30.901 1.00 0.00 H ATOM 683 N PHE A1866 27.783 -33.771 32.305 1.00 18.80 N ATOM 684 CA PHE A1866 27.316 -34.972 32.993 1.00 17.73 C ATOM 685 C PHE A1866 26.193 -35.714 32.235 1.00 15.94 C ATOM 686 O PHE A1866 26.090 -36.940 32.313 1.00 22.86 O ATOM 687 CB PHE A1866 26.880 -34.574 34.411 1.00 18.79 C ATOM 688 CG PHE A1866 27.922 -33.764 35.136 1.00 23.44 C ATOM 689 CD1 PHE A1866 29.251 -34.173 35.133 1.00 15.51 C ATOM 690 CD2 PHE A1866 27.595 -32.569 35.760 1.00 22.96 C ATOM 691 CE1 PHE A1866 30.234 -33.422 35.771 1.00 25.28 C ATOM 692 CE2 PHE A1866 28.576 -31.810 36.396 1.00 24.21 C ATOM 693 CZ PHE A1866 29.898 -32.242 36.401 1.00 20.14 C ATOM 694 H PHE A1866 27.427 -32.843 32.610 1.00 0.00 H ATOM 695 N ASP A1867 25.358 -34.980 31.507 1.00 26.94 N ATOM 696 CA ASP A1867 24.412 -35.611 30.584 1.00 31.26 C ATOM 697 C ASP A1867 25.146 -36.406 29.493 1.00 25.33 C ATOM 698 O ASP A1867 24.814 -37.567 29.250 1.00 20.35 O ATOM 699 CB ASP A1867 23.483 -34.572 29.944 1.00 30.17 C ATOM 700 CG ASP A1867 22.450 -34.022 30.920 1.00 27.28 C ATOM 701 OD1 ASP A1867 22.134 -34.698 31.926 1.00 28.15 O ATOM 702 OD2 ASP A1867 21.942 -32.916 30.668 1.00 25.75 O ATOM 703 H ASP A1867 25.377 -33.944 31.594 1.00 0.00 H ATOM 704 N ASN A1868 26.144 -35.787 28.859 1.00 24.94 N ATOM 705 CA ASN A1868 27.030 -36.494 27.925 1.00 22.49 C ATOM 706 C ASN A1868 27.640 -37.729 28.540 1.00 25.18 C ATOM 707 O ASN A1868 27.715 -38.781 27.906 1.00 18.24 O ATOM 708 CB ASN A1868 28.169 -35.603 27.448 1.00 19.93 C ATOM 709 CG ASN A1868 27.713 -34.518 26.491 1.00 21.62 C ATOM 710 OD1 ASN A1868 26.633 -34.591 25.918 1.00 18.39 O ATOM 711 ND2 ASN A1868 28.558 -33.516 26.297 1.00 21.60 N ATOM 712 HD22 ASN A1868 29.465 -33.495 26.805 1.00 0.00 H ATOM 713 HD21 ASN A1868 28.314 -32.751 25.636 1.00 0.00 H ATOM 714 H ASN A1868 26.299 -34.773 29.032 1.00 0.00 H ATOM 715 N CYS A1869 28.107 -37.584 29.777 1.00 19.69 N ATOM 716 CA CYS A1869 28.773 -38.680 30.461 1.00 18.81 C ATOM 717 C CYS A1869 27.838 -39.880 30.600 1.00 15.54 C ATOM 718 O CYS A1869 28.210 -41.021 30.301 1.00 22.30 O ATOM 719 CB CYS A1869 29.262 -38.234 31.840 1.00 21.71 C ATOM 720 SG CYS A1869 30.179 -39.513 32.667 1.00 20.13 S ATOM 721 H CYS A1869 27.994 -36.671 30.263 1.00 0.00 H ATOM 722 N GLN A1870 26.615 -39.602 31.039 1.00 20.76 N ATOM 723 CA GLN A1870 25.619 -40.647 31.247 1.00 18.01 C ATOM 724 C GLN A1870 25.084 -41.235 29.943 1.00 19.44 C ATOM 725 O GLN A1870 24.700 -42.402 29.891 1.00 21.43 O ATOM 726 CB GLN A1870 24.472 -40.108 32.093 1.00 15.31 C ATOM 727 CG GLN A1870 24.883 -39.812 33.533 1.00 16.23 C ATOM 728 CD GLN A1870 23.771 -39.155 34.294 1.00 20.55 C ATOM 729 OE1 GLN A1870 22.945 -39.828 34.919 1.00 21.65 O ATOM 730 NE2 GLN A1870 23.727 -37.833 34.243 1.00 15.66 N ATOM 731 HE22 GLN A1870 24.445 -37.309 33.703 1.00 0.00 H ATOM 732 HE21 GLN A1870 22.974 -37.318 34.743 1.00 0.00 H ATOM 733 H GLN A1870 26.361 -38.614 31.239 1.00 0.00 H ATOM 734 N THR A1871 25.058 -40.437 28.888 1.00 19.55 N ATOM 735 CA THR A1871 24.675 -40.975 27.573 1.00 22.61 C ATOM 736 C THR A1871 25.748 -41.903 27.007 1.00 17.35 C ATOM 737 O THR A1871 25.434 -42.959 26.473 1.00 17.18 O ATOM 738 CB THR A1871 24.382 -39.844 26.580 1.00 19.91 C ATOM 739 OG1 THR A1871 23.300 -39.066 27.102 1.00 24.45 O ATOM 740 CG2 THR A1871 23.997 -40.397 25.182 1.00 17.70 C ATOM 741 HG1 THR A1871 23.559 -38.691 27.981 1.00 0.00 H ATOM 742 H THR A1871 25.308 -39.432 28.988 1.00 0.00 H ATOM 743 N PHE A1872 27.018 -41.558 27.161 1.00 17.09 N ATOM 744 CA PHE A1872 28.043 -42.386 26.541 1.00 18.67 C ATOM 745 C PHE A1872 28.576 -43.522 27.393 1.00 22.96 C ATOM 746 O PHE A1872 29.068 -44.512 26.860 1.00 21.33 O ATOM 747 CB PHE A1872 29.236 -41.540 26.106 1.00 22.31 C ATOM 748 CG PHE A1872 30.248 -42.318 25.322 1.00 25.71 C ATOM 749 CD1 PHE A1872 30.015 -42.618 23.984 1.00 20.79 C ATOM 750 CD2 PHE A1872 31.402 -42.786 25.919 1.00 28.94 C ATOM 751 CE1 PHE A1872 30.931 -43.358 23.257 1.00 24.66 C ATOM 752 CE2 PHE A1872 32.320 -43.516 25.199 1.00 25.78 C ATOM 753 CZ PHE A1872 32.086 -43.799 23.865 1.00 24.63 C ATOM 754 H PHE A1872 27.277 -40.715 27.712 1.00 0.00 H ATOM 755 N ASN A1873 28.524 -43.373 28.711 1.00 22.99 N ATOM 756 CA ASN A1873 29.149 -44.353 29.594 1.00 20.50 C ATOM 757 C ASN A1873 28.158 -45.098 30.465 1.00 19.57 C ATOM 758 O ASN A1873 27.211 -44.504 30.966 1.00 20.11 O ATOM 759 CB ASN A1873 30.177 -43.673 30.501 1.00 27.99 C ATOM 760 CG ASN A1873 31.222 -42.923 29.721 1.00 20.82 C ATOM 761 OD1 ASN A1873 32.187 -43.512 29.250 1.00 21.38 O ATOM 762 ND2 ASN A1873 31.032 -41.617 29.573 1.00 16.07 N ATOM 763 HD22 ASN A1873 30.196 -41.162 29.992 1.00 0.00 H ATOM 764 HD21 ASN A1873 31.719 -41.049 29.038 1.00 0.00 H ATOM 765 H ASN A1873 28.034 -42.551 29.118 1.00 0.00 H ATOM 766 N GLU A1874 28.394 -46.399 30.638 1.00 19.94 N ATOM 767 CA GLU A1874 27.679 -47.204 31.613 1.00 25.49 C ATOM 768 C GLU A1874 27.836 -46.594 33.007 1.00 31.13 C ATOM 769 O GLU A1874 28.884 -46.027 33.331 1.00 32.56 O ATOM 770 CB GLU A1874 28.202 -48.641 31.624 1.00 25.42 C ATOM 771 CG GLU A1874 28.248 -49.330 30.283 1.00 32.03 C ATOM 772 CD GLU A1874 26.944 -49.993 29.932 1.00 52.66 C ATOM 773 OE1 GLU A1874 25.876 -49.410 30.221 1.00 55.16 O ATOM 774 OE2 GLU A1874 26.986 -51.110 29.378 1.00 66.59 O ATOM 775 H GLU A1874 29.120 -46.856 30.050 1.00 0.00 H ATOM 776 N ASP A1875 26.806 -46.729 33.829 1.00 23.64 N ATOM 777 CA ASP A1875 26.835 -46.177 35.184 1.00 21.61 C ATOM 778 C ASP A1875 27.884 -46.871 36.045 1.00 21.28 C ATOM 779 O ASP A1875 28.398 -46.281 36.993 1.00 20.56 O ATOM 780 CB ASP A1875 25.443 -46.280 35.842 1.00 18.66 C ATOM 781 CG ASP A1875 24.391 -45.422 35.137 1.00 22.90 C ATOM 782 OD1 ASP A1875 24.669 -44.239 34.846 1.00 20.75 O ATOM 783 OD2 ASP A1875 23.283 -45.930 34.851 1.00 24.31 O ATOM 784 H ASP A1875 25.959 -47.238 33.505 1.00 0.00 H ATOM 785 N ASP A1876 28.214 -48.120 35.726 1.00 24.55 N ATOM 786 CA ASP A1876 29.215 -48.852 36.514 1.00 31.62 C ATOM 787 C ASP A1876 30.603 -48.826 35.864 1.00 34.74 C ATOM 788 O ASP A1876 31.543 -49.433 36.375 1.00 37.18 O ATOM 789 CB ASP A1876 28.756 -50.302 36.747 1.00 34.14 C ATOM 790 CG ASP A1876 28.534 -51.073 35.449 1.00 38.32 C ATOM 791 OD1 ASP A1876 28.549 -50.446 34.377 1.00 34.64 O ATOM 792 OD2 ASP A1876 28.296 -52.299 35.505 1.00 39.40 O ATOM 793 H ASP A1876 27.760 -48.582 34.912 1.00 0.00 H ATOM 794 N SER A1877 30.726 -48.130 34.734 1.00 21.78 N ATOM 795 CA SER A1877 32.039 -47.879 34.117 1.00 20.19 C ATOM 796 C SER A1877 32.862 -46.929 34.966 1.00 19.20 C ATOM 797 O SER A1877 32.306 -46.198 35.779 1.00 23.07 O ATOM 798 CB SER A1877 31.884 -47.305 32.702 1.00 17.61 C ATOM 799 OG SER A1877 31.485 -45.949 32.763 1.00 23.81 O ATOM 800 HG SER A1877 30.618 -45.882 33.236 1.00 0.00 H ATOM 801 H SER A1877 29.871 -47.754 34.276 1.00 0.00 H ATOM 802 N GLU A1878 34.184 -46.944 34.786 1.00 20.08 N ATOM 803 CA GLU A1878 35.068 -46.093 35.579 1.00 23.32 C ATOM 804 C GLU A1878 34.775 -44.609 35.343 1.00 26.37 C ATOM 805 O GLU A1878 34.755 -43.817 36.285 1.00 15.18 O ATOM 806 CB GLU A1878 36.541 -46.394 35.272 1.00 31.66 C ATOM 807 CG GLU A1878 36.991 -47.783 35.706 1.00 41.05 C ATOM 808 CD GLU A1878 36.868 -47.999 37.216 1.00 48.81 C ATOM 809 OE1 GLU A1878 37.352 -47.142 37.991 1.00 48.99 O ATOM 810 OE2 GLU A1878 36.277 -49.021 37.626 1.00 48.03 O ATOM 811 H GLU A1878 34.593 -47.574 34.067 1.00 0.00 H ATOM 812 N VAL A1879 34.554 -44.238 34.084 1.00 16.29 N ATOM 813 CA VAL A1879 34.168 -42.867 33.737 1.00 18.12 C ATOM 814 C VAL A1879 32.781 -42.516 34.276 1.00 11.95 C ATOM 815 O VAL A1879 32.569 -41.435 34.824 1.00 19.94 O ATOM 816 CB VAL A1879 34.167 -42.640 32.195 1.00 18.26 C ATOM 817 CG1 VAL A1879 33.563 -41.301 31.867 1.00 11.33 C ATOM 818 CG2 VAL A1879 35.584 -42.743 31.635 1.00 20.52 C ATOM 819 H VAL A1879 34.658 -44.941 33.325 1.00 0.00 H ATOM 820 N GLY A1880 31.836 -43.431 34.113 1.00 16.01 N ATOM 821 CA GLY A1880 30.487 -43.217 34.626 1.00 18.89 C ATOM 822 C GLY A1880 30.468 -42.981 36.138 1.00 20.72 C ATOM 823 O GLY A1880 29.753 -42.111 36.647 1.00 23.14 O ATOM 824 H GLY A1880 32.059 -44.315 33.612 1.00 0.00 H ATOM 825 N LYS A1881 31.270 -43.746 36.863 1.00 17.33 N ATOM 826 CA LYS A1881 31.321 -43.602 38.321 1.00 20.47 C ATOM 827 C LYS A1881 31.882 -42.230 38.688 1.00 21.17 C ATOM 828 O LYS A1881 31.358 -41.542 39.555 1.00 24.15 O ATOM 829 CB LYS A1881 32.151 -44.720 38.938 1.00 16.91 C ATOM 830 CG LYS A1881 31.511 -46.087 38.809 1.00 18.79 C ATOM 831 CD LYS A1881 32.262 -47.128 39.609 1.00 31.92 C ATOM 832 CE LYS A1881 33.463 -47.640 38.830 1.00 41.00 C ATOM 833 NZ LYS A1881 34.082 -48.817 39.505 1.00 44.22 N ATOM 834 HZ1 LYS A1881 34.396 -48.543 40.458 1.00 0.00 H ATOM 835 HZ2 LYS A1881 33.381 -49.582 39.576 1.00 0.00 H ATOM 836 HZ3 LYS A1881 34.899 -49.144 38.950 1.00 0.00 H ATOM 837 H LYS A1881 31.869 -44.455 36.394 1.00 0.00 H ATOM 838 N ALA A1882 32.928 -41.816 37.989 1.00 16.63 N ATOM 839 CA ALA A1882 33.508 -40.497 38.218 1.00 16.88 C ATOM 840 C ALA A1882 32.496 -39.394 37.920 1.00 17.17 C ATOM 841 O ALA A1882 32.361 -38.441 38.690 1.00 23.32 O ATOM 842 CB ALA A1882 34.756 -40.321 37.383 1.00 16.59 C ATOM 843 H ALA A1882 33.342 -42.440 37.267 1.00 0.00 H ATOM 844 N GLY A1883 31.762 -39.544 36.819 1.00 18.50 N ATOM 845 CA GLY A1883 30.743 -38.579 36.445 1.00 18.02 C ATOM 846 C GLY A1883 29.595 -38.443 37.429 1.00 16.12 C ATOM 847 O GLY A1883 29.053 -37.349 37.609 1.00 13.76 O ATOM 848 H GLY A1883 31.922 -40.373 36.212 1.00 0.00 H ATOM 849 N HIS A1884 29.195 -39.550 38.047 1.00 15.56 N ATOM 850 CA HIS A1884 28.141 -39.489 39.053 1.00 15.23 C ATOM 851 C HIS A1884 28.632 -38.722 40.275 1.00 14.59 C ATOM 852 O HIS A1884 27.897 -37.900 40.814 1.00 16.97 O ATOM 853 CB HIS A1884 27.661 -40.881 39.444 1.00 15.70 C ATOM 854 CG HIS A1884 26.760 -41.507 38.419 1.00 18.21 C ATOM 855 ND1 HIS A1884 25.625 -40.881 37.946 1.00 20.55 N ATOM 856 CD2 HIS A1884 26.838 -42.686 37.759 1.00 19.61 C ATOM 857 CE1 HIS A1884 25.033 -41.654 37.056 1.00 18.14 C ATOM 858 NE2 HIS A1884 25.751 -42.755 36.919 1.00 20.41 N ATOM 859 H HIS A1884 29.635 -40.463 37.812 1.00 0.00 H ATOM 860 N ILE A1885 29.874 -38.969 40.690 1.00 14.11 N ATOM 861 CA ILE A1885 30.470 -38.213 41.803 1.00 20.69 C ATOM 862 C ILE A1885 30.540 -36.739 41.436 1.00 18.95 C ATOM 863 O ILE A1885 30.155 -35.870 42.221 1.00 18.07 O ATOM 864 CB ILE A1885 31.887 -38.723 42.168 1.00 26.70 C ATOM 865 CG1 ILE A1885 31.810 -40.121 42.794 1.00 23.50 C ATOM 866 CG2 ILE A1885 32.590 -37.750 43.133 1.00 24.95 C ATOM 867 CD1 ILE A1885 33.165 -40.816 42.924 1.00 25.32 C ATOM 868 H ILE A1885 30.432 -39.709 40.219 1.00 0.00 H ATOM 869 N MET A1886 31.008 -36.454 40.225 1.00 23.10 N ATOM 870 CA MET A1886 31.145 -35.065 39.790 1.00 11.48 C ATOM 871 C MET A1886 29.789 -34.390 39.654 1.00 21.15 C ATOM 872 O MET A1886 29.645 -33.230 40.035 1.00 23.01 O ATOM 873 CB MET A1886 31.917 -34.980 38.465 1.00 11.39 C ATOM 874 CG MET A1886 33.416 -35.260 38.597 1.00 26.03 C ATOM 875 SD MET A1886 34.223 -34.344 39.947 1.00 25.35 S ATOM 876 CE MET A1886 33.840 -32.642 39.551 1.00 15.58 C ATOM 877 H MET A1886 31.279 -37.225 39.582 1.00 0.00 H ATOM 878 N ARG A1887 28.805 -35.112 39.113 1.00 24.71 N ATOM 879 CA ARG A1887 27.469 -34.547 38.905 1.00 25.64 C ATOM 880 C ARG A1887 26.883 -34.184 40.273 1.00 22.07 C ATOM 881 O ARG A1887 26.425 -33.068 40.473 1.00 23.10 O ATOM 882 CB ARG A1887 26.551 -35.524 38.129 1.00 15.70 C ATOM 883 CG ARG A1887 25.132 -34.980 37.780 1.00 16.60 C ATOM 884 CD ARG A1887 24.213 -36.054 37.156 1.00 19.06 C ATOM 885 NE ARG A1887 24.384 -37.355 37.818 1.00 17.56 N ATOM 886 CZ ARG A1887 23.817 -37.689 38.974 1.00 18.99 C ATOM 887 NH1 ARG A1887 23.009 -36.839 39.594 1.00 14.53 N ATOM 888 NH2 ARG A1887 24.043 -38.876 39.506 1.00 18.27 N ATOM 889 HE ARG A1887 24.988 -38.061 37.352 1.00 0.00 H ATOM 890 HH12 ARG A1887 22.568 -37.105 40.498 1.00 0.00 H ATOM 891 HH11 ARG A1887 22.816 -35.906 39.176 1.00 0.00 H ATOM 892 HH22 ARG A1887 23.598 -39.134 40.410 1.00 0.00 H ATOM 893 HH21 ARG A1887 24.666 -39.553 39.021 1.00 0.00 H ATOM 894 H ARG A1887 28.991 -36.096 38.833 1.00 0.00 H ATOM 895 N ARG A1888 26.940 -35.111 41.225 1.00 15.40 N ATOM 896 CA ARG A1888 26.361 -34.854 42.550 1.00 21.60 C ATOM 897 C ARG A1888 27.127 -33.742 43.256 1.00 22.67 C ATOM 898 O ARG A1888 26.519 -32.901 43.927 1.00 23.96 O ATOM 899 CB ARG A1888 26.341 -36.126 43.412 1.00 14.38 C ATOM 900 CG ARG A1888 25.177 -37.044 43.085 1.00 21.36 C ATOM 901 CD ARG A1888 25.082 -38.210 44.071 1.00 23.61 C ATOM 902 NE ARG A1888 26.357 -38.917 44.174 1.00 22.41 N ATOM 903 CZ ARG A1888 26.662 -40.028 43.521 1.00 16.38 C ATOM 904 NH1 ARG A1888 25.781 -40.604 42.710 1.00 23.99 N ATOM 905 NH2 ARG A1888 27.847 -40.579 43.694 1.00 21.69 N ATOM 906 HE ARG A1888 27.079 -38.518 44.807 1.00 0.00 H ATOM 907 HH12 ARG A1888 26.034 -41.476 42.203 1.00 0.00 H ATOM 908 HH11 ARG A1888 24.839 -40.182 42.582 1.00 0.00 H ATOM 909 HH22 ARG A1888 28.094 -41.452 43.185 1.00 0.00 H ATOM 910 HH21 ARG A1888 28.535 -40.141 44.340 1.00 0.00 H ATOM 911 H ARG A1888 27.398 -36.024 41.030 1.00 0.00 H ATOM 912 N PHE A1889 28.450 -33.713 43.086 1.00 19.00 N ATOM 913 CA PHE A1889 29.237 -32.611 43.642 1.00 22.79 C ATOM 914 C PHE A1889 28.764 -31.259 43.089 1.00 28.54 C ATOM 915 O PHE A1889 28.508 -30.345 43.864 1.00 30.71 O ATOM 916 CB PHE A1889 30.734 -32.800 43.368 1.00 24.96 C ATOM 917 CG PHE A1889 31.577 -31.635 43.811 1.00 27.27 C ATOM 918 CD1 PHE A1889 31.982 -31.517 45.132 1.00 31.28 C ATOM 919 CD2 PHE A1889 31.946 -30.642 42.913 1.00 34.90 C ATOM 920 CE1 PHE A1889 32.754 -30.436 45.549 1.00 29.42 C ATOM 921 CE2 PHE A1889 32.704 -29.555 43.321 1.00 34.08 C ATOM 922 CZ PHE A1889 33.110 -29.453 44.646 1.00 31.58 C ATOM 923 H PHE A1889 28.923 -34.474 42.558 1.00 0.00 H ATOM 924 N PHE A1890 28.634 -31.135 41.764 1.00 27.59 N ATOM 925 CA PHE A1890 28.197 -29.867 41.163 1.00 23.46 C ATOM 926 C PHE A1890 26.842 -29.389 41.675 1.00 29.06 C ATOM 927 O PHE A1890 26.691 -28.230 42.064 1.00 33.29 O ATOM 928 CB PHE A1890 28.111 -29.946 39.631 1.00 18.45 C ATOM 929 CG PHE A1890 27.469 -28.717 39.009 1.00 26.64 C ATOM 930 CD1 PHE A1890 28.200 -27.554 38.834 1.00 26.41 C ATOM 931 CD2 PHE A1890 26.138 -28.719 38.622 1.00 30.68 C ATOM 932 CE1 PHE A1890 27.618 -26.420 38.295 1.00 28.45 C ATOM 933 CE2 PHE A1890 25.555 -27.587 38.078 1.00 31.46 C ATOM 934 CZ PHE A1890 26.295 -26.439 37.912 1.00 31.90 C ATOM 935 H PHE A1890 28.845 -31.947 41.150 1.00 0.00 H ATOM 936 N GLU A1891 25.850 -30.272 41.632 1.00 28.93 N ATOM 937 CA GLU A1891 24.497 -29.912 42.042 1.00 33.15 C ATOM 938 C GLU A1891 24.490 -29.498 43.520 1.00 36.94 C ATOM 939 O GLU A1891 23.844 -28.528 43.902 1.00 45.39 O ATOM 940 CB GLU A1891 23.529 -31.077 41.793 1.00 41.31 C ATOM 941 CG GLU A1891 23.246 -31.381 40.314 1.00 40.88 C ATOM 942 CD GLU A1891 22.212 -32.496 40.129 1.00 51.61 C ATOM 943 OE1 GLU A1891 21.579 -32.897 41.133 1.00 58.31 O ATOM 944 OE2 GLU A1891 22.032 -32.975 38.987 1.00 48.90 O ATOM 945 H GLU A1891 26.042 -31.239 41.300 1.00 0.00 H ATOM 946 N SER A1892 25.248 -30.219 44.336 1.00 32.87 N ATOM 947 CA SER A1892 25.375 -29.895 45.749 1.00 35.58 C ATOM 948 C SER A1892 25.970 -28.503 45.993 1.00 39.61 C ATOM 949 O SER A1892 25.389 -27.712 46.740 1.00 41.83 O ATOM 950 CB SER A1892 26.225 -30.953 46.452 1.00 38.84 C ATOM 951 OG SER A1892 26.447 -30.593 47.802 1.00 55.74 O ATOM 952 HG SER A1892 25.577 -30.516 48.269 1.00 0.00 H ATOM 953 H SER A1892 25.765 -31.037 43.956 1.00 0.00 H ATOM 954 N ARG A1893 27.125 -28.217 45.383 1.00 33.48 N ATOM 955 CA ARG A1893 27.800 -26.922 45.541 1.00 33.63 C ATOM 956 C ARG A1893 26.940 -25.774 45.034 1.00 39.50 C ATOM 957 O ARG A1893 26.844 -24.722 45.665 1.00 41.70 O ATOM 958 CB ARG A1893 29.139 -26.885 44.796 1.00 38.75 C ATOM 959 CG ARG A1893 30.323 -27.528 45.499 1.00 48.26 C ATOM 960 CD ARG A1893 30.592 -26.966 46.896 1.00 47.14 C ATOM 961 NE ARG A1893 31.577 -25.892 46.851 1.00 44.52 N ATOM 962 CZ ARG A1893 31.441 -24.728 47.471 1.00 40.80 C ATOM 963 NH1 ARG A1893 30.380 -24.506 48.223 1.00 46.14 N ATOM 964 NH2 ARG A1893 32.379 -23.801 47.366 1.00 43.30 N ATOM 965 HE ARG A1893 32.443 -26.049 46.296 1.00 0.00 H ATOM 966 HH12 ARG A1893 30.270 -23.594 48.711 1.00 0.00 H ATOM 967 HH11 ARG A1893 29.654 -25.243 48.328 1.00 0.00 H ATOM 968 HH22 ARG A1893 32.267 -22.890 47.855 1.00 0.00 H ATOM 969 HH21 ARG A1893 33.229 -23.983 46.795 1.00 0.00 H ATOM 970 H ARG A1893 27.562 -28.938 44.774 1.00 0.00 H ATOM 971 N TRP A1894 26.331 -25.991 43.874 1.00 41.98 N ATOM 972 CA TRP A1894 25.552 -24.970 43.191 1.00 40.76 C ATOM 973 C TRP A1894 24.363 -24.540 44.035 1.00 49.76 C ATOM 974 O TRP A1894 24.046 -23.355 44.123 1.00 53.41 O ATOM 975 CB TRP A1894 25.079 -25.498 41.836 1.00 33.18 C ATOM 976 CG TRP A1894 24.370 -24.502 40.970 1.00 41.06 C ATOM 977 CD1 TRP A1894 23.024 -24.369 40.807 1.00 49.35 C ATOM 978 CD2 TRP A1894 24.977 -23.521 40.114 1.00 42.17 C ATOM 979 NE1 TRP A1894 22.751 -23.361 39.910 1.00 48.79 N ATOM 980 CE2 TRP A1894 23.929 -22.824 39.474 1.00 42.61 C ATOM 981 CE3 TRP A1894 26.298 -23.161 39.838 1.00 42.92 C ATOM 982 CZ2 TRP A1894 24.166 -21.782 38.578 1.00 37.44 C ATOM 983 CZ3 TRP A1894 26.531 -22.129 38.947 1.00 47.35 C ATOM 984 CH2 TRP A1894 25.467 -21.452 38.326 1.00 45.39 C ATOM 985 HE1 TRP A1894 21.802 -23.058 39.613 1.00 0.00 H ATOM 986 H TRP A1894 26.415 -26.930 43.436 1.00 0.00 H ATOM 987 N GLU A1895 23.717 -25.513 44.666 1.00 49.81 N ATOM 988 CA GLU A1895 22.459 -25.270 45.363 1.00 55.21 C ATOM 989 C GLU A1895 22.647 -24.613 46.729 1.00 65.28 C ATOM 990 O GLU A1895 21.830 -23.789 47.140 1.00 70.43 O ATOM 991 CB GLU A1895 21.683 -26.581 45.508 1.00 59.62 C ATOM 992 CG GLU A1895 21.071 -27.073 44.188 1.00 67.26 C ATOM 993 CD GLU A1895 20.609 -28.526 44.240 1.00 70.69 C ATOM 994 OE1 GLU A1895 20.341 -29.028 45.354 1.00 76.73 O ATOM 995 OE2 GLU A1895 20.512 -29.164 43.165 1.00 61.27 O ATOM 996 H GLU A1895 24.118 -26.473 44.663 1.00 0.00 H ATOM 997 N GLU A1896 23.727 -24.949 47.428 1.00 66.12 N ATOM 998 CA GLU A1896 23.953 -24.370 48.748 1.00 72.54 C ATOM 999 C GLU A1896 24.441 -22.916 48.656 1.00 79.33 C ATOM 1000 O GLU A1896 24.965 -22.372 49.635 1.00 84.10 O ATOM 1001 CB GLU A1896 24.939 -25.224 49.561 1.00 73.27 C ATOM 1002 CG GLU A1896 26.394 -25.165 49.119 1.00 73.54 C ATOM 1003 CD GLU A1896 27.274 -26.104 49.929 1.00 76.86 C ATOM 1004 OE1 GLU A1896 27.582 -25.772 51.097 1.00 79.96 O ATOM 1005 OE2 GLU A1896 27.647 -27.177 49.404 1.00 76.03 O ATOM 1006 H GLU A1896 24.411 -25.625 47.033 1.00 0.00 H ATOM 1007 N PHE A1897 24.230 -22.303 47.488 1.00 77.95 N ATOM 1008 CA PHE A1897 24.519 -20.897 47.209 1.00 77.60 C ATOM 1009 C PHE A1897 23.280 -20.210 46.619 1.00 77.21 C ATOM 1010 O PHE A1897 22.837 -19.154 47.092 1.00 77.08 O ATOM 1011 CB PHE A1897 25.733 -20.793 46.278 1.00 78.10 C ATOM 1012 CG PHE A1897 26.053 -19.387 45.885 1.00 90.96 C ATOM 1013 CD1 PHE A1897 26.750 -18.557 46.744 1.00 98.21 C ATOM 1014 CD2 PHE A1897 25.741 -18.922 44.637 1.00 94.06 C ATOM 1015 CE1 PHE A1897 27.053 -17.273 46.390 1.00100.36 C ATOM 1016 CE2 PHE A1897 26.053 -17.633 44.270 1.00 97.80 C ATOM 1017 CZ PHE A1897 26.726 -16.805 45.160 1.00 99.74 C ATOM 1018 H PHE A1897 23.828 -22.871 46.715 1.00 0.00 H ATOM 1019 N TYR A1898 22.728 -20.822 45.579 1.00 75.77 N ATOM 1020 CA TYR A1898 21.486 -20.356 44.991 1.00 73.39 C ATOM 1021 C TYR A1898 20.300 -21.100 45.599 1.00 68.59 C ATOM 1022 O TYR A1898 19.904 -20.818 46.730 1.00 65.09 O ATOM 1023 CB TYR A1898 21.516 -20.532 43.475 1.00 71.78 C ATOM 1024 CG TYR A1898 22.676 -19.842 42.790 1.00 73.78 C ATOM 1025 CD1 TYR A1898 22.662 -18.470 42.574 1.00 75.56 C ATOM 1026 CD2 TYR A1898 23.769 -20.563 42.334 1.00 72.22 C ATOM 1027 CE1 TYR A1898 23.713 -17.834 41.934 1.00 76.57 C ATOM 1028 CE2 TYR A1898 24.822 -19.935 41.694 1.00 73.00 C ATOM 1029 CZ TYR A1898 24.792 -18.572 41.496 1.00 75.26 C ATOM 1030 OH TYR A1898 25.847 -17.952 40.858 1.00 73.26 O ATOM 1031 HH TYR A1898 25.669 -16.980 40.797 1.00 0.00 H ATOM 1032 H TYR A1898 23.198 -21.657 45.175 1.00 0.00 H TER 1033 TYR A1898 HETATM 1034 O HOH 1 33.298 -34.023 28.700 1.00 20.96 O HETATM 1035 O HOH 2 39.038 -35.751 27.961 1.00 26.97 O HETATM 1036 O HOH 3 22.960 -28.686 29.729 1.00 40.44 O HETATM 1037 O HOH 4 37.378 -43.036 16.711 1.00 38.06 O HETATM 1038 O HOH 5 42.884 -25.374 26.076 1.00 49.38 O HETATM 1039 O HOH 6 30.741 -37.993 27.679 1.00 20.92 O HETATM 1040 O HOH 7 41.357 -32.689 39.351 1.00 24.94 O HETATM 1041 O HOH 8 31.737 -34.252 26.230 1.00 26.88 O HETATM 1042 O HOH 9 39.423 -18.056 20.460 1.00 57.08 O HETATM 1043 O HOH 10 22.411 -48.259 35.209 1.00 22.32 O HETATM 1044 O HOH 11 20.919 -31.516 32.540 1.00 43.53 O HETATM 1045 O HOH 12 33.095 -45.859 29.691 1.00 31.21 O HETATM 1046 O HOH 13 36.148 -34.880 28.772 1.00 19.18 O HETATM 1047 O HOH 14 34.387 -30.914 24.989 1.00 26.11 O HETATM 1048 O HOH 15 31.093 -36.061 20.052 1.00 42.73 O HETATM 1049 O HOH 16 42.428 -33.908 43.361 1.00 36.67 O HETATM 1050 O HOH 17 22.281 -31.094 28.808 1.00 33.63 O HETATM 1051 O HOH 18 39.804 -18.037 27.080 1.00 36.55 O HETATM 1052 O HOH 19 30.062 -23.004 25.806 1.00 29.97 O HETATM 1053 O HOH 20 21.305 -37.215 32.107 1.00 36.66 O HETATM 1054 O HOH 21 31.197 -36.052 29.851 1.00 17.74 O HETATM 1055 O HOH 22 30.028 -36.007 44.906 1.00 17.43 O HETATM 1056 O HOH 23 40.553 -20.095 40.728 1.00 23.18 O HETATM 1057 O HOH 24 40.301 -28.742 32.919 1.00 34.02 O HETATM 1058 O HOH 25 25.469 -33.704 23.640 1.00 24.78 O HETATM 1059 O HOH 26 35.911 -44.438 38.675 1.00 30.06 O HETATM 1060 O HOH 27 37.791 -30.197 44.694 1.00 31.55 O HETATM 1061 O HOH 28 24.250 -44.353 31.786 1.00 26.85 O HETATM 1062 O HOH 29 38.856 -39.580 46.039 1.00 40.55 O HETATM 1063 O HOH 30 38.471 -34.528 45.521 1.00 21.11 O HETATM 1064 O HOH 31 32.306 -50.820 38.762 1.00 43.26 O HETATM 1065 O HOH 32 20.438 -20.737 49.486 1.00 50.30 O HETATM 1066 O HOH 33 42.061 -36.896 39.383 1.00 33.66 O HETATM 1067 O HOH 34 35.080 -33.929 22.365 1.00 21.50 O HETATM 1068 O HOH 35 27.912 -40.735 35.022 1.00 21.57 O HETATM 1069 O HOH 36 24.045 -33.828 44.925 1.00 37.48 O HETATM 1070 O HOH 37 40.621 -41.392 26.132 1.00 46.09 O HETATM 1071 O HOH 38 26.931 -43.172 33.447 1.00 18.06 O HETATM 1072 O HOH 39 34.197 -15.391 36.681 1.00 37.05 O HETATM 1073 O HOH 40 40.151 -35.384 30.489 1.00 23.05 O HETATM 1074 O HOH 41 27.440 -24.486 25.043 1.00 45.82 O HETATM 1075 O HOH 42 19.623 -33.898 33.020 1.00 31.92 O HETATM 1076 O HOH 43 42.802 -36.699 32.708 1.00 36.75 O HETATM 1077 O HOH 44 39.339 -35.606 48.148 1.00 48.74 O HETATM 1078 O HOH 45 23.743 -33.719 34.085 1.00 31.83 O HETATM 1079 O HOH 46 34.351 -33.621 24.975 1.00 21.52 O HETATM 1080 O HOH 47 35.626 -40.563 15.066 1.00 49.99 O HETATM 1081 O HOH 48 21.256 -36.665 41.865 1.00 23.13 O HETATM 1082 O HOH 49 25.718 -47.048 19.753 1.00 55.36 O HETATM 1083 O HOH 50 37.496 -22.943 46.606 1.00 39.55 O HETATM 1084 O HOH 51 46.835 -34.559 14.613 1.00 48.18 O HETATM 1085 O HOH 52 29.352 -34.852 17.120 1.00 32.74 O HETATM 1086 O HOH 53 36.165 -27.258 22.811 1.00 42.64 O HETATM 1087 O HOH 54 26.800 -18.882 23.940 1.00 53.61 O HETATM 1088 O HOH 55 41.982 -33.761 24.585 1.00 38.82 O HETATM 1089 O HOH 56 30.446 -47.072 26.500 1.00 36.16 O HETATM 1090 O HOH 57 37.682 -41.653 39.890 1.00 46.86 O HETATM 1091 O HOH 58 34.588 -41.024 17.915 1.00 29.53 O HETATM 1092 O HOH 59 35.012 -45.983 31.767 1.00 27.35 O HETATM 1093 O HOH 60 34.463 -27.514 47.920 1.00 43.66 O HETATM 1094 O HOH 61 23.950 -35.712 26.406 1.00 38.74 O HETATM 1095 O HOH 62 23.950 -28.757 49.094 1.00 48.13 O HETATM 1096 O HOH 63 31.681 -15.092 31.765 1.00 44.97 O HETATM 1097 O HOH 64 21.549 -16.043 25.942 1.00 57.54 O HETATM 1098 O HOH 65 29.195 -39.097 45.865 1.00 14.10 O HETATM 1099 O HOH 66 34.658 -44.010 16.073 1.00 38.61 O HETATM 1100 O HOH 67 31.014 -47.496 29.676 1.00 21.39 O HETATM 1101 O HOH 68 43.129 -29.669 36.972 1.00 31.17 O HETATM 1102 O HOH 69 21.993 -38.409 29.870 1.00 27.88 O HETATM 1103 O HOH 70 37.121 -46.694 22.432 1.00 51.46 O HETATM 1104 O HOH 71 26.666 -38.403 36.069 1.00 19.16 O HETATM 1105 O HOH 72 36.261 -22.547 24.663 1.00 56.14 O HETATM 1106 O HOH 73 24.732 -39.341 14.647 1.00 33.82 O HETATM 1107 O HOH 74 32.010 -41.936 16.403 1.00 30.60 O HETATM 1108 O HOH 75 45.284 -33.504 12.131 1.00 55.29 O HETATM 1109 O HOH 76 24.206 -36.141 22.530 1.00 35.94 O HETATM 1110 O HOH 77 40.341 -27.013 25.229 1.00 43.40 O HETATM 1111 O HOH 78 40.065 -38.931 25.221 1.00 32.55 O HETATM 1112 O HOH 79 29.328 -30.303 17.559 1.00 50.31 O HETATM 1113 O HOH 80 35.402 -48.958 32.711 1.00 33.01 O HETATM 1114 O HOH 81 28.582 -28.005 22.704 1.00 37.41 O HETATM 1115 O HOH 82 41.526 -35.327 17.387 1.00 43.34 O HETATM 1116 O HOH 83 40.199 -44.242 25.155 1.00 39.67 O HETATM 1117 O HOH 84 36.238 -39.207 11.593 1.00 48.65 O HETATM 1118 O HOH 85 24.123 -47.207 32.004 1.00 44.27 O HETATM 1119 O HOH 86 21.328 -33.353 35.845 1.00 40.87 O HETATM 1120 O HOH 87 39.766 -25.560 44.509 1.00 49.64 O HETATM 1121 O HOH 88 38.737 -27.780 46.017 1.00 53.35 O HETATM 1122 O HOH 89 23.204 -16.055 45.907 1.00 55.61 O HETATM 1123 O HOH 90 42.018 -35.041 37.803 1.00 32.76 O HETATM 1124 O HOH 91 44.678 -35.224 18.500 1.00 48.07 O HETATM 1125 O HOH 92 18.590 -32.902 29.715 1.00 51.40 O HETATM 1126 O HOH 93 29.036 -28.493 52.737 1.00 45.24 O HETATM 1127 O HOH 94 21.667 -32.401 45.537 1.00 40.73 O HETATM 1128 O HOH 95 20.410 -23.015 50.393 1.00 51.23 O HETATM 1129 O HOH 96 36.591 -19.840 24.498 1.00 53.60 O HETATM 1130 O HOH 97 25.799 -16.687 24.433 1.00 67.98 O HETATM 1131 O HOH 98 22.319 -28.242 24.350 1.00 53.14 O HETATM 1132 O HOH 99 38.546 -24.367 48.446 1.00 62.95 O HETATM 1133 O HOH 100 34.205 -29.136 22.719 1.00 34.29 O HETATM 1134 O HOH 101 42.998 -20.715 25.214 1.00 49.81 O HETATM 1135 O HOH 102 34.916 -17.971 23.702 1.00 47.85 O HETATM 1136 O HOH 103 35.199 -43.544 40.859 1.00 43.22 O HETATM 1137 O HOH 104 24.881 -26.818 23.848 1.00 46.03 O HETATM 1138 O HOH 105 31.789 -41.129 13.368 1.00 43.73 O HETATM 1139 O HOH 106 44.332 -25.814 28.228 1.00 58.00 O HETATM 1140 O HOH 107 33.930 -35.164 20.088 1.00 25.81 O HETATM 1141 O HOH 108 35.817 -29.300 46.850 1.00 54.71 O HETATM 1142 O HOH 109 34.573 -46.426 27.267 1.00 34.72 O HETATM 1143 O HOH 110 42.985 -34.847 30.569 1.00 34.47 O HETATM 1144 O HOH 111 44.603 -32.619 31.775 1.00 38.90 O HETATM 1145 O HOH 112 24.737 -35.136 47.130 1.00 31.42 O HETATM 1146 O HOH 113 42.080 -24.954 31.205 1.00 55.73 O HETATM 1147 O HOH 114 35.468 -22.993 22.326 1.00 52.46 O HETATM 1148 O HOH 115 35.740 -31.336 21.361 1.00 41.75 O HETATM 1149 O HOH 116 31.513 -49.949 30.145 1.00 43.36 O HETATM 1150 O HOH 117 42.886 -28.880 34.127 1.00 45.77 O HETATM 1151 O HOH 118 32.755 -44.802 42.967 1.00 45.57 O HETATM 1152 O HOH 119 45.714 -33.335 9.629 1.00 54.32 O HETATM 1153 O HOH 120 45.050 -31.399 36.347 1.00 51.17 O HETATM 1154 O HOH 121 43.201 -43.272 25.351 1.00 53.81 O HETATM 1155 O HOH 122 24.648 -13.729 47.999 1.00 52.63 O HETATM 1156 O HOH 123 43.857 -35.278 28.185 1.00 55.66 O HETATM 1157 O HOH 124 38.286 -30.043 20.672 1.00 42.50 O HETATM 1158 C01 UNN A 125 40.826 -38.685 30.310 1.00 -0.04 C HETATM 1159 C02 UNN A 125 40.242 -39.755 29.431 1.00 0.07 C HETATM 1160 O03 UNN A 125 38.855 -39.782 29.670 1.00 -0.28 O HETATM 1161 C04 UNN A 125 38.154 -40.631 28.813 1.00 0.25 C HETATM 1162 O05 UNN A 125 38.774 -41.513 28.269 1.00 -0.37 O HETATM 1163 C06 UNN A 125 36.666 -40.415 28.580 1.00 0.07 C HETATM 1164 C07 UNN A 125 36.061 -39.129 29.078 1.00 0.07 C HETATM 1165 N08 UNN A 125 34.640 -38.861 28.878 1.00 -0.27 N HETATM 1166 C09 UNN A 125 34.090 -37.644 29.352 1.00 0.02 C HETATM 1167 H8 UNN A 125 33.016 -37.611 29.117 1.00 0.05 H HETATM 1168 H9 UNN A 125 34.598 -36.798 28.866 1.00 0.05 H HETATM 1169 H10 UNN A 125 34.229 -37.578 30.441 1.00 0.05 H HETATM 1170 C10 UNN A 125 33.788 -39.827 28.184 1.00 0.19 C HETATM 1171 O11 UNN A 125 32.610 -39.588 28.022 1.00 -0.39 O HETATM 1172 C12 UNN A 125 34.378 -41.117 27.677 1.00 0.08 C HETATM 1173 C13 UNN A 125 35.815 -41.400 27.876 1.00 0.06 C HETATM 1174 CL UNN A 125 36.472 -42.906 27.279 1.00 -0.06 CL HETATM 1175 H11 UNN A 125 34.196 -41.145 26.593 1.00 0.07 H HETATM 1176 H12 UNN A 125 33.823 -41.933 28.163 1.00 0.07 H HETATM 1177 H6 UNN A 125 36.609 -38.311 28.589 1.00 0.06 H HETATM 1178 H7 UNN A 125 36.240 -39.094 30.163 1.00 0.06 H HETATM 1179 H4 UNN A 125 40.686 -40.730 29.680 1.00 0.06 H HETATM 1180 H5 UNN A 125 40.437 -39.522 28.374 1.00 0.06 H HETATM 1181 H1 UNN A 125 41.913 -38.633 30.151 1.00 0.03 H HETATM 1182 H2 UNN A 125 40.620 -38.924 31.364 1.00 0.03 H HETATM 1183 H3 UNN A 125 40.372 -37.715 30.058 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1158 1159 1181 1182 1183 CONECT 1159 1158 1160 1179 1180 CONECT 1160 1159 1161 CONECT 1161 1160 1162 1163 CONECT 1162 1161 CONECT 1163 1161 1164 1173 CONECT 1164 1163 1165 1177 1178 CONECT 1165 1164 1166 1170 CONECT 1166 1165 1167 1168 1169 CONECT 1167 1166 CONECT 1168 1166 CONECT 1169 1166 CONECT 1170 1165 1171 1172 CONECT 1171 1170 CONECT 1172 1170 1173 1175 1176 CONECT 1173 1163 1172 1174 CONECT 1174 1173 CONECT 1175 1172 CONECT 1176 1172 CONECT 1177 1164 CONECT 1178 1164 CONECT 1179 1159 CONECT 1180 1159 CONECT 1181 1158 CONECT 1182 1158 CONECT 1183 1158 MASTER 0 0 0 0 0 0 0 0 1182 1 30 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5mgj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4qbm
RCSB PDB
PDBbind
106aa, >4QBM_1|Chains... *
5mgk
RCSB PDB
PDBbind
105aa, >5MGK_1|Chain... at 100%
5mgl
RCSB PDB
PDBbind
105aa, >5MGL_1|Chain... at 100%
5mgm
RCSB PDB
PDBbind
105aa, >5MGM_1|Chain... at 100%
6fg6
RCSB PDB
PDBbind
105aa, >6FG6_1|Chain... at 100%
6fgf
RCSB PDB
PDBbind
105aa, >6FGF_1|Chain... at 100%
6fgg
RCSB PDB
PDBbind
106aa, >6FGG_1|Chain... at 100%
6fgl
RCSB PDB
PDBbind
105aa, >6FGL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5mge
RCSB PDB
PDBbind
7MX
Entry Information
PDB ID
5mgj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2A
Ligand Name
7MX
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=51uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Eur J Med Chem Vol. 139: pp. 564-572
Ligand Properties
Formula
C
9
H
1
2
ClNO
3
Molecular Weight
217.649
Exact Mass
217.051
No. of atoms
26
No. of bonds
26
Polar Surface Area
46.61
LOGP Value
0.34 (
Computed with XLOGP3
)
0.84 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
CN1CC(=C(CC1=O)Cl)C(=O)OCC
InChI String
InChI=1S/C9H12ClNO3/c1-3-14-9(13)6-5-11(2)8(12)4-7(6)10/h3-5H2,1-2H3
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):
Q9UIF9
Entrez Gene ID
NCBI Entrez Gene ID:
11176
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓