Browse entries in the PDBbind-CN Database
HEADER 6FGG_COMPLEX COMPND 6FGG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 LEU THR PHE CYS GLU ILE ILE LEU MET GLU MET GLU SER SEQRES 2 A 101 HIS ASP ALA ALA TRP PRO PHE LEU GLU PRO VAL ASN PRO SEQRES 3 A 101 ARG LEU VAL SER GLY TYR ARG ARG ILE ILE LYS ASN PRO SEQRES 4 A 101 MET ASP PHE SER THR MET ARG GLU ARG LEU LEU ARG GLY SEQRES 5 A 101 GLY TYR THR SER SER GLU GLU PHE ALA ALA ASP ALA LEU SEQRES 6 A 101 LEU VAL PHE ASP ASN CYS GLN THR PHE ASN GLU ASP ASP SEQRES 7 A 101 SER GLU VAL GLY LYS ALA GLY HIS ILE MET ARG ARG PHE SEQRES 8 A 101 PHE GLU SER ARG TRP GLU GLU PHE TYR GLN HET D A 9B 49 ATOM 1 N LEU A1799 -5.767 -24.815 -0.617 1.00 24.43 N ATOM 2 CA LEU A1799 -6.672 -24.120 -1.519 1.00 23.57 C ATOM 3 C LEU A1799 -8.134 -24.500 -1.272 1.00 20.68 C ATOM 4 O LEU A1799 -9.032 -23.867 -1.826 1.00 19.33 O ATOM 5 CB LEU A1799 -6.244 -24.333 -2.967 1.00 25.23 C ATOM 6 CG LEU A1799 -4.905 -23.706 -3.401 1.00 26.48 C ATOM 7 CD1 LEU A1799 -5.137 -22.896 -4.650 1.00 27.20 C ATOM 8 CD2 LEU A1799 -4.236 -22.826 -2.342 1.00 27.00 C ATOM 9 HN3 LEU A1799 -5.863 -25.841 -0.754 1.00 0.00 H ATOM 10 HN2 LEU A1799 -6.004 -24.571 0.366 1.00 0.00 H ATOM 11 HN1 LEU A1799 -4.788 -24.527 -0.820 1.00 0.00 H ATOM 12 N THR A1800 -8.388 -25.475 -0.394 1.00 19.85 N ATOM 13 CA THR A1800 -9.772 -25.711 0.004 1.00 19.71 C ATOM 14 C THR A1800 -10.373 -24.466 0.649 1.00 16.05 C ATOM 15 O THR A1800 -11.573 -24.220 0.505 1.00 15.48 O ATOM 16 CB THR A1800 -9.901 -26.918 0.936 1.00 23.01 C ATOM 17 OG1 THR A1800 -9.442 -26.563 2.239 1.00 24.53 O ATOM 18 CG2 THR A1800 -9.100 -28.106 0.417 1.00 23.81 C ATOM 19 HG1 THR A1800 -8.494 -26.284 2.189 1.00 0.00 H ATOM 20 H THR A1800 -7.617 -26.053 -0.003 1.00 0.00 H ATOM 21 N PHE A1801 -9.561 -23.657 1.342 1.00 14.79 N ATOM 22 CA PHE A1801 -10.084 -22.417 1.912 1.00 14.37 C ATOM 23 C PHE A1801 -10.302 -21.343 0.856 1.00 13.77 C ATOM 24 O PHE A1801 -11.191 -20.496 1.009 1.00 14.23 O ATOM 25 CB PHE A1801 -9.224 -21.975 3.092 1.00 15.80 C ATOM 26 CG PHE A1801 -9.377 -22.908 4.228 1.00 17.22 C ATOM 27 CD1 PHE A1801 -8.563 -24.019 4.341 1.00 18.24 C ATOM 28 CD2 PHE A1801 -10.444 -22.773 5.094 1.00 18.54 C ATOM 29 CE1 PHE A1801 -8.768 -24.930 5.342 1.00 19.43 C ATOM 30 CE2 PHE A1801 -10.643 -23.683 6.107 1.00 19.37 C ATOM 31 CZ PHE A1801 -9.807 -24.761 6.218 1.00 19.97 C ATOM 32 H PHE A1801 -8.561 -23.911 1.474 1.00 0.00 H ATOM 33 N CYS A1802 -9.553 -21.386 -0.244 1.00 12.83 N ATOM 34 CA CYS A1802 -9.916 -20.566 -1.391 1.00 12.50 C ATOM 35 C CYS A1802 -11.269 -20.985 -1.954 1.00 11.62 C ATOM 36 O CYS A1802 -12.082 -20.134 -2.322 1.00 11.78 O ATOM 37 CB CYS A1802 -8.827 -20.639 -2.460 1.00 13.51 C ATOM 38 SG CYS A1802 -7.271 -19.850 -1.969 1.00 15.42 S ATOM 39 H CYS A1802 -8.715 -22.001 -0.284 1.00 0.00 H ATOM 40 N GLU A1803 -11.553 -22.288 -2.005 1.00 11.46 N ATOM 41 CA GLU A1803 -12.853 -22.723 -2.515 1.00 12.26 C ATOM 42 C GLU A1803 -13.981 -22.297 -1.582 1.00 11.14 C ATOM 43 O GLU A1803 -15.056 -21.896 -2.045 1.00 11.17 O ATOM 44 CB GLU A1803 -12.916 -24.231 -2.776 1.00 13.98 C ATOM 45 CG GLU A1803 -14.314 -24.601 -3.308 1.00 15.44 C ATOM 46 CD GLU A1803 -14.455 -25.981 -3.926 1.00 16.75 C ATOM 47 OE1 GLU A1803 -13.484 -26.766 -3.943 1.00 17.17 O ATOM 48 OE2 GLU A1803 -15.576 -26.271 -4.405 1.00 17.48 O ATOM 49 H GLU A1803 -10.855 -22.989 -1.684 1.00 0.00 H ATOM 50 N ILE A1804 -13.762 -22.379 -0.264 1.00 11.30 N ATOM 51 CA ILE A1804 -14.767 -21.924 0.695 1.00 11.70 C ATOM 52 C ILE A1804 -15.094 -20.451 0.464 1.00 11.04 C ATOM 53 O ILE A1804 -16.265 -20.059 0.385 1.00 12.08 O ATOM 54 CB ILE A1804 -14.285 -22.195 2.132 1.00 13.35 C ATOM 55 CG1 ILE A1804 -14.305 -23.699 2.406 1.00 15.25 C ATOM 56 CG2 ILE A1804 -15.141 -21.438 3.146 1.00 13.96 C ATOM 57 CD1 ILE A1804 -13.561 -24.107 3.639 1.00 16.93 C ATOM 58 H ILE A1804 -12.864 -22.772 0.083 1.00 0.00 H ATOM 59 N ILE A1805 -14.064 -19.616 0.337 1.00 10.95 N ATOM 60 CA ILE A1805 -14.300 -18.194 0.106 1.00 11.28 C ATOM 61 C ILE A1805 -15.015 -17.977 -1.224 1.00 9.79 C ATOM 62 O ILE A1805 -15.938 -17.161 -1.324 1.00 10.13 O ATOM 63 CB ILE A1805 -12.977 -17.413 0.190 1.00 13.64 C ATOM 64 CG1 ILE A1805 -12.452 -17.441 1.624 1.00 16.43 C ATOM 65 CG2 ILE A1805 -13.156 -15.975 -0.291 1.00 15.03 C ATOM 66 CD1 ILE A1805 -11.143 -16.743 1.818 1.00 18.32 C ATOM 67 H ILE A1805 -13.091 -19.977 0.402 1.00 0.00 H ATOM 68 N LEU A1806 -14.612 -18.711 -2.265 1.00 9.46 N ATOM 69 CA LEU A1806 -15.257 -18.558 -3.563 1.00 9.06 C ATOM 70 C LEU A1806 -16.737 -18.893 -3.482 1.00 9.17 C ATOM 71 O LEU A1806 -17.572 -18.158 -4.027 1.00 9.98 O ATOM 72 CB LEU A1806 -14.547 -19.412 -4.610 1.00 9.30 C ATOM 73 CG LEU A1806 -15.024 -19.206 -6.054 1.00 9.94 C ATOM 74 CD1 LEU A1806 -14.893 -17.765 -6.515 1.00 10.47 C ATOM 75 CD2 LEU A1806 -14.246 -20.122 -6.984 1.00 10.93 C ATOM 76 H LEU A1806 -13.836 -19.393 -2.149 1.00 0.00 H ATOM 77 N MET A1807 -17.084 -19.989 -2.799 1.00 9.87 N ATOM 78 CA MET A1807 -18.485 -20.373 -2.653 1.00 11.32 C ATOM 79 C MET A1807 -19.274 -19.308 -1.897 1.00 11.18 C ATOM 80 O MET A1807 -20.414 -18.992 -2.260 1.00 11.76 O ATOM 81 CB MET A1807 -18.557 -21.712 -1.923 1.00 14.78 C ATOM 82 CG MET A1807 -19.957 -22.239 -1.694 1.00 20.97 C ATOM 83 SD MET A1807 -19.966 -23.705 -0.645 1.00 26.96 S ATOM 84 CE MET A1807 -18.438 -24.510 -1.152 1.00 27.17 C ATOM 85 H MET A1807 -16.344 -20.577 -2.365 1.00 0.00 H ATOM 86 N GLU A1808 -18.684 -18.737 -0.844 1.00 10.96 N ATOM 87 CA GLU A1808 -19.371 -17.680 -0.113 1.00 11.57 C ATOM 88 C GLU A1808 -19.554 -16.444 -0.982 1.00 10.93 C ATOM 89 O GLU A1808 -20.591 -15.778 -0.912 1.00 11.95 O ATOM 90 CB GLU A1808 -18.596 -17.344 1.153 1.00 12.93 C ATOM 91 CG GLU A1808 -18.615 -18.483 2.146 1.00 15.30 C ATOM 92 CD GLU A1808 -17.747 -18.236 3.357 1.00 18.73 C ATOM 93 OE1 GLU A1808 -16.978 -17.256 3.368 1.00 20.64 O ATOM 94 OE2 GLU A1808 -17.827 -19.037 4.303 1.00 20.38 O ATOM 95 H GLU A1808 -17.737 -19.046 -0.546 1.00 0.00 H ATOM 96 N MET A1809 -18.566 -16.124 -1.818 1.00 9.88 N ATOM 97 CA MET A1809 -18.743 -15.009 -2.743 1.00 9.60 C ATOM 98 C MET A1809 -19.842 -15.303 -3.748 1.00 9.41 C ATOM 99 O MET A1809 -20.689 -14.447 -4.011 1.00 10.05 O ATOM 100 CB MET A1809 -17.431 -14.681 -3.455 1.00 9.45 C ATOM 101 CG MET A1809 -16.411 -14.061 -2.530 1.00 9.91 C ATOM 102 SD MET A1809 -15.073 -13.182 -3.361 1.00 10.44 S ATOM 103 CE MET A1809 -14.302 -14.519 -4.264 1.00 11.54 C ATOM 104 H MET A1809 -17.677 -16.664 -1.811 1.00 0.00 H ATOM 105 N GLU A1810 -19.854 -16.518 -4.311 1.00 9.56 N ATOM 106 CA GLU A1810 -20.842 -16.863 -5.329 1.00 10.33 C ATOM 107 C GLU A1810 -22.266 -16.800 -4.794 1.00 10.60 C ATOM 108 O GLU A1810 -23.199 -16.546 -5.560 1.00 12.33 O ATOM 109 CB GLU A1810 -20.532 -18.240 -5.915 1.00 11.43 C ATOM 110 CG GLU A1810 -19.302 -18.238 -6.804 1.00 12.70 C ATOM 111 CD GLU A1810 -18.808 -19.621 -7.143 1.00 16.80 C ATOM 112 OE1 GLU A1810 -18.809 -20.477 -6.229 1.00 17.86 O ATOM 113 OE2 GLU A1810 -18.412 -19.839 -8.314 1.00 18.97 O ATOM 114 H GLU A1810 -19.150 -17.226 -4.019 1.00 0.00 H ATOM 115 N SER A1811 -22.460 -17.025 -3.497 1.00 10.61 N ATOM 116 CA SER A1811 -23.799 -16.995 -2.913 1.00 11.88 C ATOM 117 C SER A1811 -24.196 -15.630 -2.349 1.00 11.00 C ATOM 118 O SER A1811 -25.304 -15.494 -1.822 1.00 12.03 O ATOM 119 CB SER A1811 -23.925 -18.048 -1.823 1.00 14.61 C ATOM 120 OG SER A1811 -23.064 -17.765 -0.759 1.00 18.15 O ATOM 121 HG SER A1811 -22.130 -17.753 -1.086 1.00 0.00 H ATOM 122 H SER A1811 -21.642 -17.226 -2.887 1.00 0.00 H ATOM 123 N HIS A1812 -23.345 -14.619 -2.458 1.00 9.89 N ATOM 124 CA HIS A1812 -23.595 -13.332 -1.833 1.00 8.93 C ATOM 125 C HIS A1812 -24.661 -12.567 -2.612 1.00 8.76 C ATOM 126 O HIS A1812 -24.770 -12.684 -3.838 1.00 9.24 O ATOM 127 CB HIS A1812 -22.277 -12.559 -1.813 1.00 9.21 C ATOM 128 CG HIS A1812 -22.256 -11.386 -0.895 1.00 9.02 C ATOM 129 ND1 HIS A1812 -22.966 -10.230 -1.131 1.00 9.35 N ATOM 130 CD2 HIS A1812 -21.559 -11.189 0.244 1.00 10.10 C ATOM 131 CE1 HIS A1812 -22.722 -9.377 -0.150 1.00 9.30 C ATOM 132 NE2 HIS A1812 -21.866 -9.933 0.692 1.00 10.16 N ATOM 133 H HIS A1812 -22.472 -14.752 -3.008 1.00 0.00 H ATOM 134 N ASP A1813 -25.438 -11.751 -1.891 1.00 8.63 N ATOM 135 CA ASP A1813 -26.461 -10.929 -2.532 1.00 8.67 C ATOM 136 C ASP A1813 -25.893 -9.933 -3.544 1.00 8.70 C ATOM 137 O ASP A1813 -26.639 -9.480 -4.424 1.00 9.57 O ATOM 138 CB ASP A1813 -27.255 -10.159 -1.467 1.00 9.07 C ATOM 139 CG ASP A1813 -28.118 -11.061 -0.597 1.00 10.33 C ATOM 140 OD1 ASP A1813 -28.394 -12.209 -1.002 1.00 11.59 O ATOM 141 OD2 ASP A1813 -28.538 -10.593 0.486 1.00 11.47 O ATOM 142 H ASP A1813 -25.312 -11.701 -0.860 1.00 0.00 H ATOM 143 N ALA A1814 -24.627 -9.541 -3.405 1.00 8.16 N ATOM 144 CA ALA A1814 -23.986 -8.587 -4.302 1.00 8.15 C ATOM 145 C ALA A1814 -23.136 -9.272 -5.371 1.00 8.16 C ATOM 146 O ALA A1814 -22.406 -8.596 -6.102 1.00 8.57 O ATOM 147 CB ALA A1814 -23.140 -7.597 -3.502 1.00 9.09 C ATOM 148 H ALA A1814 -24.070 -9.934 -2.620 1.00 0.00 H ATOM 149 N ALA A1815 -23.250 -10.589 -5.517 1.00 8.36 N ATOM 150 CA ALA A1815 -22.378 -11.313 -6.430 1.00 8.92 C ATOM 151 C ALA A1815 -22.875 -11.343 -7.868 1.00 7.77 C ATOM 152 O ALA A1815 -22.092 -11.687 -8.761 1.00 7.96 O ATOM 153 CB ALA A1815 -22.202 -12.746 -5.940 1.00 10.39 C ATOM 154 H ALA A1815 -23.970 -11.107 -4.973 1.00 0.00 H ATOM 155 N TRP A1816 -24.147 -11.020 -8.111 1.00 7.99 N ATOM 156 CA TRP A1816 -24.762 -11.230 -9.415 1.00 8.14 C ATOM 157 C TRP A1816 -23.998 -10.635 -10.595 1.00 7.94 C ATOM 158 O TRP A1816 -24.076 -11.230 -11.676 1.00 8.83 O ATOM 159 CB TRP A1816 -26.229 -10.769 -9.412 1.00 8.63 C ATOM 160 CG TRP A1816 -26.401 -9.343 -9.084 1.00 8.80 C ATOM 161 CD1 TRP A1816 -26.574 -8.812 -7.839 1.00 10.09 C ATOM 162 CD2 TRP A1816 -26.388 -8.245 -9.994 1.00 9.48 C ATOM 163 NE1 TRP A1816 -26.658 -7.452 -7.915 1.00 11.21 N ATOM 164 CE2 TRP A1816 -26.559 -7.079 -9.229 1.00 11.00 C ATOM 165 CE3 TRP A1816 -26.255 -8.129 -11.380 1.00 10.91 C ATOM 166 CZ2 TRP A1816 -26.598 -5.816 -9.804 1.00 12.64 C ATOM 167 CZ3 TRP A1816 -26.301 -6.872 -11.942 1.00 12.46 C ATOM 168 CH2 TRP A1816 -26.465 -5.737 -11.158 1.00 13.46 C ATOM 169 HE1 TRP A1816 -26.777 -6.806 -7.109 1.00 0.00 H ATOM 170 H TRP A1816 -24.717 -10.606 -7.346 1.00 0.00 H ATOM 171 N PRO A1817 -23.261 -9.517 -10.480 1.00 7.20 N ATOM 172 CA PRO A1817 -22.532 -9.033 -11.668 1.00 7.47 C ATOM 173 C PRO A1817 -21.338 -9.883 -12.024 1.00 7.20 C ATOM 174 O PRO A1817 -20.842 -9.738 -13.154 1.00 7.77 O ATOM 175 CB PRO A1817 -22.116 -7.601 -11.291 1.00 7.81 C ATOM 176 CG PRO A1817 -22.954 -7.235 -10.096 1.00 8.26 C ATOM 177 CD PRO A1817 -23.159 -8.545 -9.374 1.00 7.70 C ATOM 178 N PHE A1818 -20.849 -10.713 -11.094 1.00 7.14 N ATOM 179 CA PHE A1818 -19.528 -11.321 -11.167 1.00 7.52 C ATOM 180 C PHE A1818 -19.540 -12.827 -11.345 1.00 7.72 C ATOM 181 O PHE A1818 -18.474 -13.444 -11.338 1.00 8.38 O ATOM 182 CB PHE A1818 -18.767 -10.963 -9.873 1.00 7.77 C ATOM 183 CG PHE A1818 -18.838 -9.496 -9.550 1.00 7.71 C ATOM 184 CD1 PHE A1818 -18.291 -8.560 -10.406 1.00 7.90 C ATOM 185 CD2 PHE A1818 -19.526 -9.048 -8.443 1.00 7.96 C ATOM 186 CE1 PHE A1818 -18.402 -7.201 -10.141 1.00 8.24 C ATOM 187 CE2 PHE A1818 -19.639 -7.694 -8.166 1.00 8.02 C ATOM 188 CZ PHE A1818 -19.086 -6.770 -9.022 1.00 8.29 C ATOM 189 H PHE A1818 -21.447 -10.936 -10.273 1.00 0.00 H ATOM 190 N LEU A1819 -20.713 -13.426 -11.494 1.00 8.37 N ATOM 191 CA LEU A1819 -20.830 -14.877 -11.514 1.00 9.36 C ATOM 192 C LEU A1819 -20.291 -15.478 -12.796 1.00 9.97 C ATOM 193 O LEU A1819 -19.772 -16.598 -12.762 1.00 12.06 O ATOM 194 CB LEU A1819 -22.291 -15.279 -11.350 1.00 9.76 C ATOM 195 CG LEU A1819 -22.933 -14.839 -10.040 1.00 10.78 C ATOM 196 CD1 LEU A1819 -24.386 -15.263 -10.012 1.00 12.17 C ATOM 197 CD2 LEU A1819 -22.195 -15.375 -8.838 1.00 12.03 C ATOM 198 H LEU A1819 -21.570 -12.846 -11.599 1.00 0.00 H ATOM 199 N GLU A1820 -20.434 -14.777 -13.919 1.00 9.95 N ATOM 200 CA GLU A1820 -20.082 -15.264 -15.243 1.00 10.24 C ATOM 201 C GLU A1820 -19.316 -14.183 -15.981 1.00 9.68 C ATOM 202 O GLU A1820 -19.429 -12.999 -15.647 1.00 9.47 O ATOM 203 CB GLU A1820 -21.355 -15.598 -16.026 1.00 12.89 C ATOM 204 CG GLU A1820 -22.168 -16.705 -15.385 1.00 15.42 C ATOM 205 CD GLU A1820 -21.478 -18.060 -15.467 1.00 18.07 C ATOM 206 OE1 GLU A1820 -20.673 -18.251 -16.401 1.00 18.96 O ATOM 207 OE2 GLU A1820 -21.744 -18.937 -14.608 1.00 19.98 O ATOM 208 H GLU A1820 -20.824 -13.816 -13.844 1.00 0.00 H ATOM 209 N PRO A1821 -18.531 -14.551 -16.996 1.00 9.95 N ATOM 210 CA PRO A1821 -17.823 -13.523 -17.767 1.00 9.83 C ATOM 211 C PRO A1821 -18.801 -12.511 -18.338 1.00 9.52 C ATOM 212 O PRO A1821 -19.891 -12.864 -18.781 1.00 10.17 O ATOM 213 CB PRO A1821 -17.124 -14.308 -18.884 1.00 11.48 C ATOM 214 CG PRO A1821 -17.249 -15.725 -18.559 1.00 13.59 C ATOM 215 CD PRO A1821 -18.276 -15.916 -17.498 1.00 11.50 C ATOM 216 N VAL A1822 -18.395 -11.239 -18.336 1.00 9.42 N ATOM 217 CA VAL A1822 -19.139 -10.223 -19.068 1.00 9.98 C ATOM 218 C VAL A1822 -19.107 -10.594 -20.540 1.00 10.80 C ATOM 219 O VAL A1822 -18.045 -10.934 -21.079 1.00 12.27 O ATOM 220 CB VAL A1822 -18.510 -8.838 -18.843 1.00 10.88 C ATOM 221 CG1 VAL A1822 -19.177 -7.802 -19.737 1.00 12.20 C ATOM 222 CG2 VAL A1822 -18.598 -8.423 -17.377 1.00 11.49 C ATOM 223 H VAL A1822 -17.540 -10.971 -17.807 1.00 0.00 H ATOM 224 N ASN A1823 -20.267 -10.541 -21.213 1.00 10.63 N ATOM 225 CA ASN A1823 -20.292 -10.679 -22.659 1.00 10.77 C ATOM 226 C ASN A1823 -20.092 -9.285 -23.212 1.00 10.31 C ATOM 227 O ASN A1823 -21.015 -8.450 -23.126 1.00 11.11 O ATOM 228 CB ASN A1823 -21.595 -11.251 -23.163 1.00 11.94 C ATOM 229 CG ASN A1823 -21.592 -11.405 -24.666 1.00 11.72 C ATOM 230 OD1 ASN A1823 -20.703 -10.892 -25.352 1.00 11.86 O ATOM 231 ND2 ASN A1823 -22.588 -12.088 -25.191 1.00 12.40 N ATOM 232 HD22 ASN A1823 -23.316 -12.503 -24.575 1.00 0.00 H ATOM 233 HD21 ASN A1823 -22.647 -12.212 -26.222 1.00 0.00 H ATOM 234 H ASN A1823 -21.157 -10.400 -20.694 1.00 0.00 H ATOM 235 N PRO A1824 -18.941 -8.986 -23.798 1.00 11.05 N ATOM 236 CA PRO A1824 -18.713 -7.621 -24.260 1.00 11.47 C ATOM 237 C PRO A1824 -19.642 -7.193 -25.381 1.00 11.53 C ATOM 238 O PRO A1824 -19.791 -5.992 -25.616 1.00 12.32 O ATOM 239 CB PRO A1824 -17.248 -7.643 -24.709 1.00 13.41 C ATOM 240 CG PRO A1824 -17.016 -9.064 -25.104 1.00 13.28 C ATOM 241 CD PRO A1824 -17.816 -9.875 -24.135 1.00 12.44 C ATOM 242 N ARG A1825 -20.277 -8.118 -26.093 1.00 11.08 N ATOM 243 CA ARG A1825 -21.259 -7.718 -27.095 1.00 11.38 C ATOM 244 C ARG A1825 -22.429 -6.980 -26.469 1.00 11.41 C ATOM 245 O ARG A1825 -23.090 -6.191 -27.154 1.00 13.04 O ATOM 246 CB ARG A1825 -21.772 -8.939 -27.848 1.00 11.80 C ATOM 247 CG ARG A1825 -22.666 -8.607 -29.024 1.00 11.89 C ATOM 248 CD ARG A1825 -23.045 -9.832 -29.799 1.00 11.80 C ATOM 249 NE ARG A1825 -23.980 -10.730 -29.131 1.00 11.20 N ATOM 250 CZ ARG A1825 -25.307 -10.647 -29.209 1.00 11.12 C ATOM 251 NH1 ARG A1825 -25.899 -9.652 -29.858 1.00 11.61 N ATOM 252 NH2 ARG A1825 -26.051 -11.574 -28.625 1.00 12.34 N ATOM 253 HE ARG A1825 -23.580 -11.494 -28.549 1.00 0.00 H ATOM 254 HH12 ARG A1825 -26.937 -9.607 -29.906 1.00 0.00 H ATOM 255 HH11 ARG A1825 -25.325 -8.917 -30.318 1.00 0.00 H ATOM 256 HH22 ARG A1825 -27.088 -11.519 -28.680 1.00 0.00 H ATOM 257 HH21 ARG A1825 -25.598 -12.357 -28.112 1.00 0.00 H ATOM 258 H ARG A1825 -20.074 -9.126 -25.936 1.00 0.00 H ATOM 259 N LEU A1826 -22.695 -7.208 -25.183 1.00 10.48 N ATOM 260 CA LEU A1826 -23.841 -6.625 -24.510 1.00 11.32 C ATOM 261 C LEU A1826 -23.489 -5.412 -23.664 1.00 12.16 C ATOM 262 O LEU A1826 -24.403 -4.754 -23.164 1.00 14.18 O ATOM 263 CB LEU A1826 -24.506 -7.673 -23.618 1.00 11.60 C ATOM 264 CG LEU A1826 -24.779 -9.019 -24.301 1.00 12.95 C ATOM 265 CD1 LEU A1826 -25.586 -9.884 -23.364 1.00 13.78 C ATOM 266 CD2 LEU A1826 -25.456 -8.872 -25.659 1.00 13.09 C ATOM 267 H LEU A1826 -22.058 -7.827 -24.642 1.00 0.00 H ATOM 268 N VAL A1827 -22.204 -5.114 -23.472 1.00 11.48 N ATOM 269 CA VAL A1827 -21.743 -4.050 -22.581 1.00 11.38 C ATOM 270 C VAL A1827 -20.775 -3.180 -23.383 1.00 11.37 C ATOM 271 O VAL A1827 -19.592 -3.513 -23.512 1.00 11.79 O ATOM 272 CB VAL A1827 -21.084 -4.609 -21.311 1.00 11.71 C ATOM 273 CG1 VAL A1827 -20.680 -3.473 -20.389 1.00 12.21 C ATOM 274 CG2 VAL A1827 -22.029 -5.560 -20.591 1.00 12.59 C ATOM 275 H VAL A1827 -21.489 -5.669 -23.984 1.00 0.00 H ATOM 276 N SER A1828 -21.272 -2.046 -23.896 1.00 11.31 N ATOM 277 CA SER A1828 -20.476 -1.196 -24.769 1.00 12.15 C ATOM 278 C SER A1828 -19.187 -0.777 -24.084 1.00 11.25 C ATOM 279 O SER A1828 -19.201 -0.319 -22.942 1.00 10.52 O ATOM 280 CB SER A1828 -21.289 0.036 -25.160 1.00 14.08 C ATOM 281 OG SER A1828 -22.430 -0.336 -25.916 1.00 15.28 O ATOM 282 HG SER A1828 -23.000 -0.938 -25.376 1.00 0.00 H ATOM 283 H SER A1828 -22.247 -1.768 -23.665 1.00 0.00 H ATOM 284 N GLY A1829 -18.071 -0.933 -24.800 1.00 11.32 N ATOM 285 CA GLY A1829 -16.785 -0.482 -24.338 1.00 11.35 C ATOM 286 C GLY A1829 -16.041 -1.456 -23.464 1.00 10.53 C ATOM 287 O GLY A1829 -14.875 -1.195 -23.147 1.00 11.19 O ATOM 288 H GLY A1829 -18.134 -1.399 -25.728 1.00 0.00 H ATOM 289 N TYR A1830 -16.671 -2.564 -23.053 1.00 9.96 N ATOM 290 CA TYR A1830 -16.051 -3.408 -22.038 1.00 9.57 C ATOM 291 C TYR A1830 -14.714 -3.945 -22.506 1.00 10.35 C ATOM 292 O TYR A1830 -13.723 -3.905 -21.765 1.00 11.47 O ATOM 293 CB TYR A1830 -16.978 -4.551 -21.612 1.00 9.59 C ATOM 294 CG TYR A1830 -16.502 -5.130 -20.297 1.00 9.29 C ATOM 295 CD1 TYR A1830 -16.784 -4.480 -19.104 1.00 9.14 C ATOM 296 CD2 TYR A1830 -15.718 -6.274 -20.245 1.00 10.50 C ATOM 297 CE1 TYR A1830 -16.307 -4.941 -17.909 1.00 9.49 C ATOM 298 CE2 TYR A1830 -15.231 -6.756 -19.043 1.00 10.76 C ATOM 299 CZ TYR A1830 -15.533 -6.087 -17.874 1.00 10.13 C ATOM 300 OH TYR A1830 -15.028 -6.550 -16.691 1.00 11.76 O ATOM 301 HH TYR A1830 -15.333 -5.966 -15.952 1.00 0.00 H ATOM 302 H TYR A1830 -17.595 -2.821 -23.455 1.00 0.00 H ATOM 303 N ARG A1831 -14.680 -4.480 -23.725 1.00 11.62 N ATOM 304 CA ARG A1831 -13.452 -5.070 -24.240 1.00 14.56 C ATOM 305 C ARG A1831 -12.385 -4.014 -24.486 1.00 14.40 C ATOM 306 O ARG A1831 -11.190 -4.309 -24.376 1.00 16.36 O ATOM 307 CB ARG A1831 -13.753 -5.852 -25.523 1.00 18.61 C ATOM 308 CG ARG A1831 -12.575 -6.612 -26.085 1.00 22.24 C ATOM 309 CD ARG A1831 -12.985 -7.371 -27.334 1.00 25.42 C ATOM 310 NE ARG A1831 -12.023 -7.184 -28.418 1.00 28.75 N ATOM 311 CZ ARG A1831 -11.016 -8.005 -28.692 1.00 30.94 C ATOM 312 NH1 ARG A1831 -10.817 -9.100 -27.968 1.00 31.85 N ATOM 313 NH2 ARG A1831 -10.205 -7.731 -29.707 1.00 31.80 N ATOM 314 HE ARG A1831 -12.136 -6.344 -29.021 1.00 0.00 H ATOM 315 HH12 ARG A1831 -10.025 -9.735 -28.193 1.00 0.00 H ATOM 316 HH11 ARG A1831 -11.453 -9.323 -27.176 1.00 0.00 H ATOM 317 HH22 ARG A1831 -9.414 -8.369 -29.928 1.00 0.00 H ATOM 318 HH21 ARG A1831 -10.361 -6.878 -30.281 1.00 0.00 H ATOM 319 H ARG A1831 -15.537 -4.477 -24.314 1.00 0.00 H ATOM 320 N ARG A1832 -12.789 -2.785 -24.815 1.00 14.48 N ATOM 321 CA ARG A1832 -11.818 -1.714 -25.015 1.00 16.45 C ATOM 322 C ARG A1832 -11.166 -1.296 -23.701 1.00 15.64 C ATOM 323 O ARG A1832 -9.962 -1.012 -23.663 1.00 18.12 O ATOM 324 CB ARG A1832 -12.494 -0.497 -25.656 1.00 19.25 C ATOM 325 CG ARG A1832 -13.346 -0.771 -26.900 1.00 22.65 C ATOM 326 CD ARG A1832 -12.581 -0.651 -28.202 1.00 24.26 C ATOM 327 NE ARG A1832 -11.826 0.592 -28.337 1.00 24.74 N ATOM 328 CZ ARG A1832 -12.248 1.691 -28.966 1.00 25.06 C ATOM 329 NH1 ARG A1832 -13.455 1.752 -29.512 1.00 24.91 N ATOM 330 NH2 ARG A1832 -11.454 2.748 -29.036 1.00 25.44 N ATOM 331 HE ARG A1832 -10.880 0.623 -27.907 1.00 0.00 H ATOM 332 HH12 ARG A1832 -13.763 2.619 -29.997 1.00 0.00 H ATOM 333 HH11 ARG A1832 -14.094 0.933 -29.455 1.00 0.00 H ATOM 334 HH22 ARG A1832 -11.775 3.608 -29.524 1.00 0.00 H ATOM 335 HH21 ARG A1832 -10.509 2.718 -28.603 1.00 0.00 H ATOM 336 H ARG A1832 -13.804 -2.589 -24.930 1.00 0.00 H ATOM 337 N ILE A1833 -11.942 -1.246 -22.622 1.00 12.47 N ATOM 338 CA ILE A1833 -11.478 -0.682 -21.360 1.00 11.83 C ATOM 339 C ILE A1833 -10.824 -1.729 -20.475 1.00 11.78 C ATOM 340 O ILE A1833 -9.823 -1.440 -19.817 1.00 13.31 O ATOM 341 CB ILE A1833 -12.664 0.014 -20.666 1.00 12.36 C ATOM 342 CG1 ILE A1833 -13.038 1.249 -21.493 1.00 14.57 C ATOM 343 CG2 ILE A1833 -12.326 0.377 -19.223 1.00 12.33 C ATOM 344 CD1 ILE A1833 -14.371 1.815 -21.217 1.00 16.08 C ATOM 345 H ILE A1833 -12.910 -1.621 -22.680 1.00 0.00 H ATOM 346 N ILE A1834 -11.375 -2.934 -20.433 1.00 10.35 N ATOM 347 CA ILE A1834 -10.905 -3.976 -19.529 1.00 10.33 C ATOM 348 C ILE A1834 -10.084 -4.979 -20.332 1.00 11.70 C ATOM 349 O ILE A1834 -10.619 -5.747 -21.139 1.00 13.40 O ATOM 350 CB ILE A1834 -12.082 -4.641 -18.805 1.00 10.15 C ATOM 351 CG1 ILE A1834 -12.803 -3.618 -17.921 1.00 10.03 C ATOM 352 CG2 ILE A1834 -11.618 -5.856 -18.004 1.00 10.52 C ATOM 353 CD1 ILE A1834 -11.932 -2.957 -16.891 1.00 10.39 C ATOM 354 H ILE A1834 -12.171 -3.143 -21.068 1.00 0.00 H ATOM 355 N LYS A1835 -8.779 -4.988 -20.097 1.00 12.86 N ATOM 356 CA LYS A1835 -7.886 -5.834 -20.873 1.00 14.91 C ATOM 357 C LYS A1835 -7.774 -7.249 -20.333 1.00 13.83 C ATOM 358 O LYS A1835 -7.448 -8.163 -21.103 1.00 15.23 O ATOM 359 CB LYS A1835 -6.490 -5.216 -20.937 1.00 18.47 C ATOM 360 CG LYS A1835 -6.462 -3.809 -21.493 1.00 22.01 C ATOM 361 CD LYS A1835 -7.072 -3.735 -22.886 1.00 24.90 C ATOM 362 CE LYS A1835 -6.797 -2.384 -23.538 1.00 26.88 C ATOM 363 NZ LYS A1835 -5.336 -2.134 -23.717 1.00 28.12 N ATOM 364 HZ1 LYS A1835 -4.867 -2.148 -22.789 1.00 0.00 H ATOM 365 HZ2 LYS A1835 -4.930 -2.875 -24.323 1.00 0.00 H ATOM 366 HZ3 LYS A1835 -5.197 -1.205 -24.163 1.00 0.00 H ATOM 367 H LYS A1835 -8.389 -4.382 -19.348 1.00 0.00 H ATOM 368 N ASN A1836 -8.007 -7.452 -19.032 1.00 12.07 N ATOM 369 CA ASN A1836 -7.851 -8.758 -18.391 1.00 11.81 C ATOM 370 C ASN A1836 -9.128 -9.077 -17.626 1.00 10.08 C ATOM 371 O ASN A1836 -9.194 -8.922 -16.397 1.00 10.04 O ATOM 372 CB ASN A1836 -6.644 -8.784 -17.460 1.00 14.02 C ATOM 373 CG ASN A1836 -5.351 -8.522 -18.191 1.00 17.64 C ATOM 374 OD1 ASN A1836 -4.645 -7.562 -17.892 1.00 20.45 O ATOM 375 ND2 ASN A1836 -5.043 -9.365 -19.165 1.00 17.85 N ATOM 376 HD22 ASN A1836 -5.674 -10.163 -19.380 1.00 0.00 H ATOM 377 HD21 ASN A1836 -4.171 -9.228 -19.714 1.00 0.00 H ATOM 378 H ASN A1836 -8.313 -6.646 -18.450 1.00 0.00 H ATOM 379 N PRO A1837 -10.161 -9.545 -18.320 1.00 9.91 N ATOM 380 CA PRO A1837 -11.425 -9.854 -17.644 1.00 9.52 C ATOM 381 C PRO A1837 -11.274 -11.020 -16.677 1.00 8.56 C ATOM 382 O PRO A1837 -10.458 -11.920 -16.875 1.00 9.59 O ATOM 383 CB PRO A1837 -12.353 -10.236 -18.806 1.00 10.65 C ATOM 384 CG PRO A1837 -11.431 -10.668 -19.913 1.00 12.65 C ATOM 385 CD PRO A1837 -10.240 -9.774 -19.774 1.00 11.71 C ATOM 386 N MET A1838 -12.094 -11.014 -15.625 1.00 7.98 N ATOM 387 CA MET A1838 -12.131 -12.141 -14.700 1.00 8.02 C ATOM 388 C MET A1838 -13.498 -12.170 -14.031 1.00 7.61 C ATOM 389 O MET A1838 -14.145 -11.135 -13.883 1.00 8.06 O ATOM 390 CB MET A1838 -11.009 -12.024 -13.659 1.00 8.34 C ATOM 391 CG MET A1838 -10.821 -13.241 -12.750 1.00 8.85 C ATOM 392 SD MET A1838 -10.736 -14.829 -13.589 1.00 9.80 S ATOM 393 CE MET A1838 -9.400 -14.552 -14.751 1.00 11.05 C ATOM 394 H MET A1838 -12.715 -10.196 -15.462 1.00 0.00 H ATOM 395 N ASP A1839 -13.931 -13.367 -13.626 1.00 7.47 N ATOM 396 CA ASP A1839 -15.219 -13.574 -12.979 1.00 7.53 C ATOM 397 C ASP A1839 -15.128 -14.839 -12.127 1.00 7.37 C ATOM 398 O ASP A1839 -14.189 -15.635 -12.257 1.00 7.58 O ATOM 399 CB ASP A1839 -16.330 -13.729 -14.014 1.00 8.11 C ATOM 400 CG ASP A1839 -16.152 -14.999 -14.797 1.00 8.91 C ATOM 401 OD1 ASP A1839 -15.387 -14.977 -15.788 1.00 9.66 O ATOM 402 OD2 ASP A1839 -16.723 -16.033 -14.379 1.00 9.68 O ATOM 403 H ASP A1839 -13.318 -14.192 -13.781 1.00 0.00 H ATOM 404 N PHE A1840 -16.135 -15.046 -11.273 1.00 7.15 N ATOM 405 CA PHE A1840 -16.075 -16.144 -10.306 1.00 7.61 C ATOM 406 C PHE A1840 -16.150 -17.523 -10.963 1.00 7.85 C ATOM 407 O PHE A1840 -15.549 -18.474 -10.448 1.00 8.32 O ATOM 408 CB PHE A1840 -17.182 -16.007 -9.261 1.00 8.00 C ATOM 409 CG PHE A1840 -17.103 -14.772 -8.390 1.00 7.91 C ATOM 410 CD1 PHE A1840 -15.931 -14.055 -8.196 1.00 8.71 C ATOM 411 CD2 PHE A1840 -18.250 -14.326 -7.746 1.00 8.62 C ATOM 412 CE1 PHE A1840 -15.916 -12.931 -7.374 1.00 8.99 C ATOM 413 CE2 PHE A1840 -18.235 -13.213 -6.937 1.00 9.12 C ATOM 414 CZ PHE A1840 -17.069 -12.516 -6.752 1.00 8.94 C ATOM 415 H PHE A1840 -16.967 -14.423 -11.295 1.00 0.00 H ATOM 416 N SER A1841 -16.925 -17.682 -12.040 1.00 8.43 N ATOM 417 CA SER A1841 -16.993 -18.992 -12.688 1.00 9.42 C ATOM 418 C SER A1841 -15.659 -19.364 -13.320 1.00 9.23 C ATOM 419 O SER A1841 -15.227 -20.516 -13.236 1.00 9.78 O ATOM 420 CB SER A1841 -18.108 -19.031 -13.737 1.00 10.78 C ATOM 421 OG SER A1841 -17.765 -18.310 -14.902 1.00 12.66 O ATOM 422 HG SER A1841 -17.596 -17.364 -14.665 1.00 0.00 H ATOM 423 H SER A1841 -17.475 -16.882 -12.414 1.00 0.00 H ATOM 424 N THR A1842 -14.997 -18.406 -13.963 1.00 9.01 N ATOM 425 CA THR A1842 -13.674 -18.657 -14.518 1.00 8.92 C ATOM 426 C THR A1842 -12.693 -19.042 -13.416 1.00 8.59 C ATOM 427 O THR A1842 -11.887 -19.962 -13.589 1.00 9.19 O ATOM 428 CB THR A1842 -13.228 -17.425 -15.312 1.00 9.66 C ATOM 429 OG1 THR A1842 -14.158 -17.204 -16.378 1.00 10.65 O ATOM 430 CG2 THR A1842 -11.834 -17.585 -15.889 1.00 10.44 C ATOM 431 HG1 THR A1842 -13.879 -16.409 -16.898 1.00 0.00 H ATOM 432 H THR A1842 -15.429 -17.466 -14.071 1.00 0.00 H ATOM 433 N MET A1843 -12.759 -18.362 -12.271 1.00 8.22 N ATOM 434 CA MET A1843 -11.931 -18.731 -11.122 1.00 8.34 C ATOM 435 C MET A1843 -12.242 -20.141 -10.645 1.00 7.96 C ATOM 436 O MET A1843 -11.326 -20.907 -10.331 1.00 8.83 O ATOM 437 CB MET A1843 -12.137 -17.729 -9.984 1.00 8.02 C ATOM 438 CG MET A1843 -11.605 -16.346 -10.311 1.00 8.32 C ATOM 439 SD MET A1843 -12.021 -15.073 -9.095 1.00 8.90 S ATOM 440 CE MET A1843 -11.239 -15.719 -7.625 1.00 10.74 C ATOM 441 H MET A1843 -13.410 -17.555 -12.193 1.00 0.00 H ATOM 442 N ARG A1844 -13.525 -20.501 -10.560 1.00 8.17 N ATOM 443 CA ARG A1844 -13.890 -21.836 -10.103 1.00 8.68 C ATOM 444 C ARG A1844 -13.326 -22.911 -11.030 1.00 9.14 C ATOM 445 O ARG A1844 -12.802 -23.933 -10.567 1.00 9.56 O ATOM 446 CB ARG A1844 -15.412 -21.973 -10.016 1.00 9.65 C ATOM 447 CG ARG A1844 -15.847 -23.365 -9.606 1.00 11.56 C ATOM 448 CD ARG A1844 -17.299 -23.437 -9.169 1.00 13.46 C ATOM 449 NE ARG A1844 -17.453 -22.834 -7.850 1.00 15.39 N ATOM 450 CZ ARG A1844 -17.130 -23.419 -6.699 1.00 17.25 C ATOM 451 NH1 ARG A1844 -16.666 -24.671 -6.658 1.00 18.51 N ATOM 452 NH2 ARG A1844 -17.283 -22.731 -5.578 1.00 17.87 N ATOM 453 HE ARG A1844 -17.846 -21.872 -7.805 1.00 0.00 H ATOM 454 HH12 ARG A1844 -16.421 -25.105 -5.745 1.00 0.00 H ATOM 455 HH11 ARG A1844 -16.550 -25.212 -7.539 1.00 0.00 H ATOM 456 HH22 ARG A1844 -17.038 -23.164 -4.665 1.00 0.00 H ATOM 457 HH21 ARG A1844 -17.648 -21.758 -5.611 1.00 0.00 H ATOM 458 H ARG A1844 -14.269 -19.824 -10.822 1.00 0.00 H ATOM 459 N GLU A1845 -13.444 -22.710 -12.345 1.00 9.21 N ATOM 460 CA GLU A1845 -12.936 -23.705 -13.282 1.00 10.26 C ATOM 461 C GLU A1845 -11.441 -23.918 -13.097 1.00 10.09 C ATOM 462 O GLU A1845 -10.954 -25.055 -13.162 1.00 10.70 O ATOM 463 CB GLU A1845 -13.234 -23.280 -14.719 1.00 12.19 C ATOM 464 CG GLU A1845 -14.721 -23.081 -15.069 1.00 15.61 C ATOM 465 CD GLU A1845 -15.587 -24.328 -14.951 1.00 19.21 C ATOM 466 OE1 GLU A1845 -16.831 -24.186 -14.929 1.00 21.84 O ATOM 467 OE2 GLU A1845 -15.046 -25.447 -14.893 1.00 20.35 O ATOM 468 H GLU A1845 -13.898 -21.844 -12.700 1.00 0.00 H ATOM 469 N ARG A1846 -10.692 -22.833 -12.900 1.00 9.52 N ATOM 470 CA ARG A1846 -9.250 -22.934 -12.709 1.00 10.01 C ATOM 471 C ARG A1846 -8.920 -23.581 -11.370 1.00 9.89 C ATOM 472 O ARG A1846 -8.044 -24.456 -11.283 1.00 10.72 O ATOM 473 CB ARG A1846 -8.620 -21.546 -12.828 1.00 10.50 C ATOM 474 CG ARG A1846 -7.123 -21.542 -12.644 1.00 11.70 C ATOM 475 CD ARG A1846 -6.494 -20.224 -13.047 1.00 13.43 C ATOM 476 NE ARG A1846 -5.087 -20.238 -12.666 1.00 15.38 N ATOM 477 CZ ARG A1846 -4.312 -19.167 -12.564 1.00 17.24 C ATOM 478 NH1 ARG A1846 -4.784 -17.964 -12.827 1.00 17.85 N ATOM 479 NH2 ARG A1846 -3.050 -19.301 -12.180 1.00 18.71 N ATOM 480 HE ARG A1846 -4.657 -21.162 -12.458 1.00 0.00 H ATOM 481 HH12 ARG A1846 -4.165 -17.133 -12.743 1.00 0.00 H ATOM 482 HH11 ARG A1846 -5.775 -17.847 -13.119 1.00 0.00 H ATOM 483 HH22 ARG A1846 -2.439 -18.463 -12.099 1.00 0.00 H ATOM 484 HH21 ARG A1846 -2.671 -20.244 -11.960 1.00 0.00 H ATOM 485 H ARG A1846 -11.145 -21.897 -12.882 1.00 0.00 H ATOM 486 N LEU A1847 -9.618 -23.160 -10.315 1.00 9.70 N ATOM 487 CA LEU A1847 -9.371 -23.703 -8.985 1.00 9.77 C ATOM 488 C LEU A1847 -9.583 -25.213 -8.960 1.00 9.91 C ATOM 489 O LEU A1847 -8.738 -25.964 -8.459 1.00 11.11 O ATOM 490 CB LEU A1847 -10.297 -23.002 -7.991 1.00 10.42 C ATOM 491 CG LEU A1847 -10.148 -23.420 -6.539 1.00 12.52 C ATOM 492 CD1 LEU A1847 -8.767 -23.083 -5.982 1.00 14.49 C ATOM 493 CD2 LEU A1847 -11.226 -22.738 -5.725 1.00 14.35 C ATOM 494 H LEU A1847 -10.350 -22.433 -10.443 1.00 0.00 H ATOM 495 N LEU A1848 -10.715 -25.676 -9.490 1.00 9.85 N ATOM 496 CA LEU A1848 -11.027 -27.101 -9.442 1.00 10.80 C ATOM 497 C LEU A1848 -9.982 -27.916 -10.177 1.00 11.18 C ATOM 498 O LEU A1848 -9.674 -29.041 -9.772 1.00 12.12 O ATOM 499 CB LEU A1848 -12.395 -27.370 -10.053 1.00 12.33 C ATOM 500 CG LEU A1848 -13.576 -26.829 -9.263 1.00 15.13 C ATOM 501 CD1 LEU A1848 -14.851 -27.101 -10.019 1.00 16.27 C ATOM 502 CD2 LEU A1848 -13.639 -27.438 -7.867 1.00 17.12 C ATOM 503 H LEU A1848 -11.381 -25.017 -9.941 1.00 0.00 H ATOM 504 N ARG A1849 -9.436 -27.377 -11.261 1.00 10.79 N ATOM 505 CA ARG A1849 -8.436 -28.088 -12.049 1.00 10.99 C ATOM 506 C ARG A1849 -7.030 -27.960 -11.478 1.00 11.99 C ATOM 507 O ARG A1849 -6.080 -28.460 -12.089 1.00 13.21 O ATOM 508 CB ARG A1849 -8.494 -27.606 -13.507 1.00 11.62 C ATOM 509 CG ARG A1849 -9.764 -28.029 -14.232 1.00 11.61 C ATOM 510 CD ARG A1849 -9.909 -27.328 -15.565 1.00 12.80 C ATOM 511 NE ARG A1849 -11.035 -27.787 -16.370 1.00 13.13 N ATOM 512 CZ ARG A1849 -12.303 -27.453 -16.169 1.00 12.66 C ATOM 513 NH1 ARG A1849 -12.643 -26.678 -15.151 1.00 12.27 N ATOM 514 NH2 ARG A1849 -13.243 -27.918 -16.979 1.00 13.15 N ATOM 515 HE ARG A1849 -10.828 -28.426 -17.164 1.00 0.00 H ATOM 516 HH12 ARG A1849 -13.640 -26.422 -15.003 1.00 0.00 H ATOM 517 HH11 ARG A1849 -11.913 -26.325 -14.500 1.00 0.00 H ATOM 518 HH22 ARG A1849 -14.238 -27.658 -16.824 1.00 0.00 H ATOM 519 HH21 ARG A1849 -12.986 -28.543 -17.770 1.00 0.00 H ATOM 520 H ARG A1849 -9.729 -26.424 -11.555 1.00 0.00 H ATOM 521 N GLY A1850 -6.865 -27.331 -10.321 1.00 12.45 N ATOM 522 CA GLY A1850 -5.549 -27.194 -9.724 1.00 13.50 C ATOM 523 C GLY A1850 -4.678 -26.140 -10.375 1.00 14.02 C ATOM 524 O GLY A1850 -3.449 -26.187 -10.236 1.00 15.97 O ATOM 525 H GLY A1850 -7.692 -26.930 -9.834 1.00 0.00 H ATOM 526 N GLY A1851 -5.281 -25.182 -11.078 1.00 13.40 N ATOM 527 CA GLY A1851 -4.539 -24.168 -11.805 1.00 13.39 C ATOM 528 C GLY A1851 -3.977 -23.039 -10.970 1.00 13.29 C ATOM 529 O GLY A1851 -3.196 -22.238 -11.492 1.00 15.44 O ATOM 530 H GLY A1851 -6.320 -25.160 -11.107 1.00 0.00 H ATOM 531 N TYR A1852 -4.360 -22.927 -9.705 1.00 12.49 N ATOM 532 CA TYR A1852 -3.729 -21.976 -8.798 1.00 12.97 C ATOM 533 C TYR A1852 -2.700 -22.725 -7.968 1.00 15.26 C ATOM 534 O TYR A1852 -3.023 -23.743 -7.348 1.00 17.24 O ATOM 535 CB TYR A1852 -4.753 -21.326 -7.866 1.00 12.35 C ATOM 536 CG TYR A1852 -5.775 -20.453 -8.570 1.00 12.07 C ATOM 537 CD1 TYR A1852 -5.401 -19.260 -9.169 1.00 11.79 C ATOM 538 CD2 TYR A1852 -7.112 -20.821 -8.632 1.00 12.19 C ATOM 539 CE1 TYR A1852 -6.330 -18.463 -9.814 1.00 11.81 C ATOM 540 CE2 TYR A1852 -8.049 -20.028 -9.266 1.00 12.19 C ATOM 541 CZ TYR A1852 -7.656 -18.851 -9.862 1.00 12.21 C ATOM 542 OH TYR A1852 -8.598 -18.076 -10.504 1.00 12.39 O ATOM 543 HH TYR A1852 -8.161 -17.270 -10.877 1.00 0.00 H ATOM 544 H TYR A1852 -5.129 -23.532 -9.352 1.00 0.00 H ATOM 545 N THR A1853 -1.473 -22.218 -7.938 1.00 15.82 N ATOM 546 CA THR A1853 -0.407 -22.867 -7.178 1.00 17.53 C ATOM 547 C THR A1853 -0.157 -22.228 -5.820 1.00 16.77 C ATOM 548 O THR A1853 0.698 -22.704 -5.070 1.00 18.39 O ATOM 549 CB THR A1853 0.894 -22.879 -7.984 1.00 20.24 C ATOM 550 OG1 THR A1853 1.247 -21.541 -8.343 1.00 22.03 O ATOM 551 CG2 THR A1853 0.745 -23.736 -9.239 1.00 21.67 C ATOM 552 HG1 THR A1853 0.523 -21.146 -8.891 1.00 0.00 H ATOM 553 H THR A1853 -1.267 -21.345 -8.464 1.00 0.00 H ATOM 554 N SER A1854 -0.866 -21.161 -5.491 1.00 14.34 N ATOM 555 CA SER A1854 -0.740 -20.516 -4.195 1.00 13.59 C ATOM 556 C SER A1854 -2.012 -19.731 -3.944 1.00 11.99 C ATOM 557 O SER A1854 -2.745 -19.391 -4.877 1.00 12.30 O ATOM 558 CB SER A1854 0.459 -19.564 -4.148 1.00 14.40 C ATOM 559 OG SER A1854 0.246 -18.435 -4.985 1.00 15.65 O ATOM 560 HG SER A1854 1.033 -17.837 -4.937 1.00 0.00 H ATOM 561 H SER A1854 -1.536 -20.770 -6.183 1.00 0.00 H ATOM 562 N SER A1855 -2.264 -19.430 -2.669 1.00 10.93 N ATOM 563 CA SER A1855 -3.397 -18.578 -2.347 1.00 11.22 C ATOM 564 C SER A1855 -3.241 -17.204 -2.976 1.00 11.64 C ATOM 565 O SER A1855 -4.232 -16.585 -3.367 1.00 12.23 O ATOM 566 CB SER A1855 -3.562 -18.477 -0.834 1.00 11.51 C ATOM 567 OG SER A1855 -2.551 -17.675 -0.247 1.00 11.54 O ATOM 568 HG SER A1855 -2.594 -16.762 -0.627 1.00 0.00 H ATOM 569 H SER A1855 -1.655 -19.802 -1.912 1.00 0.00 H ATOM 570 N GLU A1856 -2.009 -16.718 -3.101 1.00 12.15 N ATOM 571 CA GLU A1856 -1.784 -15.409 -3.706 1.00 13.57 C ATOM 572 C GLU A1856 -2.296 -15.367 -5.140 1.00 12.49 C ATOM 573 O GLU A1856 -2.856 -14.354 -5.572 1.00 12.52 O ATOM 574 CB GLU A1856 -0.291 -15.065 -3.658 1.00 16.72 C ATOM 575 CG GLU A1856 0.059 -13.722 -4.293 1.00 20.43 C ATOM 576 CD GLU A1856 1.557 -13.419 -4.328 1.00 24.25 C ATOM 577 OE1 GLU A1856 2.371 -14.244 -3.855 1.00 25.94 O ATOM 578 OE2 GLU A1856 1.919 -12.336 -4.843 1.00 26.17 O ATOM 579 H GLU A1856 -1.199 -17.276 -2.764 1.00 0.00 H ATOM 580 N GLU A1857 -2.086 -16.442 -5.904 1.00 12.64 N ATOM 581 CA GLU A1857 -2.567 -16.457 -7.285 1.00 13.22 C ATOM 582 C GLU A1857 -4.085 -16.373 -7.342 1.00 11.83 C ATOM 583 O GLU A1857 -4.651 -15.707 -8.218 1.00 12.32 O ATOM 584 CB GLU A1857 -2.094 -17.722 -8.007 1.00 15.22 C ATOM 585 CG GLU A1857 -0.610 -17.777 -8.339 1.00 17.76 C ATOM 586 CD GLU A1857 -0.273 -18.894 -9.322 1.00 19.59 C ATOM 587 OE1 GLU A1857 0.834 -18.868 -9.904 1.00 21.51 O ATOM 588 OE2 GLU A1857 -1.123 -19.790 -9.521 1.00 19.55 O ATOM 589 H GLU A1857 -1.582 -17.266 -5.518 1.00 0.00 H ATOM 590 N PHE A1858 -4.762 -17.082 -6.445 1.00 10.76 N ATOM 591 CA PHE A1858 -6.214 -17.010 -6.369 1.00 10.08 C ATOM 592 C PHE A1858 -6.670 -15.608 -5.984 1.00 9.87 C ATOM 593 O PHE A1858 -7.578 -15.042 -6.606 1.00 9.74 O ATOM 594 CB PHE A1858 -6.713 -18.060 -5.371 1.00 10.20 C ATOM 595 CG PHE A1858 -8.178 -17.966 -5.069 1.00 10.09 C ATOM 596 CD1 PHE A1858 -8.626 -17.208 -4.011 1.00 10.67 C ATOM 597 CD2 PHE A1858 -9.114 -18.642 -5.832 1.00 10.96 C ATOM 598 CE1 PHE A1858 -9.972 -17.110 -3.718 1.00 12.08 C ATOM 599 CE2 PHE A1858 -10.465 -18.545 -5.528 1.00 11.80 C ATOM 600 CZ PHE A1858 -10.882 -17.783 -4.470 1.00 12.41 C ATOM 601 H PHE A1858 -4.246 -17.699 -5.786 1.00 0.00 H ATOM 602 N ALA A1859 -6.044 -15.030 -4.957 1.00 9.69 N ATOM 603 CA ALA A1859 -6.429 -13.700 -4.506 1.00 10.12 C ATOM 604 C ALA A1859 -6.230 -12.665 -5.598 1.00 9.85 C ATOM 605 O ALA A1859 -7.011 -11.718 -5.705 1.00 10.63 O ATOM 606 CB ALA A1859 -5.628 -13.320 -3.262 1.00 11.27 C ATOM 607 H ALA A1859 -5.273 -15.534 -4.474 1.00 0.00 H ATOM 608 N ALA A1860 -5.187 -12.824 -6.409 1.00 10.57 N ATOM 609 CA ALA A1860 -4.951 -11.869 -7.479 1.00 11.37 C ATOM 610 C ALA A1860 -6.102 -11.872 -8.478 1.00 10.66 C ATOM 611 O ALA A1860 -6.497 -10.811 -8.979 1.00 11.14 O ATOM 612 CB ALA A1860 -3.622 -12.171 -8.172 1.00 13.28 C ATOM 613 H ALA A1860 -4.542 -13.629 -6.278 1.00 0.00 H ATOM 614 N ASP A1861 -6.666 -13.048 -8.779 1.00 9.59 N ATOM 615 CA ASP A1861 -7.841 -13.089 -9.653 1.00 9.03 C ATOM 616 C ASP A1861 -9.063 -12.463 -8.989 1.00 8.48 C ATOM 617 O ASP A1861 -9.815 -11.731 -9.642 1.00 8.41 O ATOM 618 CB ASP A1861 -8.153 -14.511 -10.134 1.00 9.86 C ATOM 619 CG ASP A1861 -7.451 -14.878 -11.438 1.00 11.50 C ATOM 620 OD1 ASP A1861 -6.852 -13.993 -12.084 1.00 13.41 O ATOM 621 OD2 ASP A1861 -7.514 -16.071 -11.819 1.00 12.57 O ATOM 622 H ASP A1861 -6.271 -13.930 -8.394 1.00 0.00 H ATOM 623 N ALA A1862 -9.266 -12.701 -7.690 1.00 8.17 N ATOM 624 CA ALA A1862 -10.372 -12.038 -7.004 1.00 8.68 C ATOM 625 C ALA A1862 -10.241 -10.522 -7.096 1.00 8.91 C ATOM 626 O ALA A1862 -11.198 -9.814 -7.427 1.00 9.10 O ATOM 627 CB ALA A1862 -10.434 -12.466 -5.540 1.00 9.51 C ATOM 628 H ALA A1862 -8.642 -13.352 -7.172 1.00 0.00 H ATOM 629 N LEU A1863 -9.061 -10.004 -6.790 1.00 9.90 N ATOM 630 CA LEU A1863 -8.882 -8.561 -6.800 1.00 11.21 C ATOM 631 C LEU A1863 -9.010 -8.003 -8.213 1.00 10.22 C ATOM 632 O LEU A1863 -9.469 -6.876 -8.391 1.00 10.67 O ATOM 633 CB LEU A1863 -7.566 -8.197 -6.115 1.00 12.95 C ATOM 634 CG LEU A1863 -7.504 -8.574 -4.623 1.00 15.36 C ATOM 635 CD1 LEU A1863 -6.126 -8.265 -4.070 1.00 17.22 C ATOM 636 CD2 LEU A1863 -8.587 -7.882 -3.792 1.00 15.88 C ATOM 637 H LEU A1863 -8.266 -10.627 -6.544 1.00 0.00 H ATOM 638 N LEU A1864 -8.658 -8.791 -9.226 1.00 9.82 N ATOM 639 CA LEU A1864 -8.854 -8.385 -10.614 1.00 10.01 C ATOM 640 C LEU A1864 -10.338 -8.191 -10.940 1.00 8.37 C ATOM 641 O LEU A1864 -10.718 -7.226 -11.615 1.00 8.59 O ATOM 642 CB LEU A1864 -8.202 -9.435 -11.510 1.00 10.62 C ATOM 643 CG LEU A1864 -8.258 -9.195 -13.010 1.00 11.17 C ATOM 644 CD1 LEU A1864 -7.665 -7.858 -13.396 1.00 11.57 C ATOM 645 CD2 LEU A1864 -7.542 -10.335 -13.729 1.00 11.16 C ATOM 646 H LEU A1864 -8.233 -9.718 -9.024 1.00 0.00 H ATOM 647 N VAL A1865 -11.199 -9.080 -10.444 1.00 7.58 N ATOM 648 CA VAL A1865 -12.641 -8.874 -10.588 1.00 7.59 C ATOM 649 C VAL A1865 -13.021 -7.492 -10.076 1.00 7.06 C ATOM 650 O VAL A1865 -13.747 -6.733 -10.728 1.00 7.52 O ATOM 651 CB VAL A1865 -13.427 -9.965 -9.833 1.00 7.74 C ATOM 652 CG1 VAL A1865 -14.924 -9.691 -9.920 1.00 8.24 C ATOM 653 CG2 VAL A1865 -13.115 -11.365 -10.386 1.00 8.14 C ATOM 654 H VAL A1865 -10.844 -9.925 -9.952 1.00 0.00 H ATOM 655 N PHE A1866 -12.568 -7.159 -8.868 1.00 7.55 N ATOM 656 CA PHE A1866 -13.014 -5.916 -8.230 1.00 7.79 C ATOM 657 C PHE A1866 -12.352 -4.690 -8.840 1.00 8.00 C ATOM 658 O PHE A1866 -13.003 -3.645 -8.990 1.00 8.12 O ATOM 659 CB PHE A1866 -12.814 -6.000 -6.722 1.00 9.47 C ATOM 660 CG PHE A1866 -13.408 -7.268 -6.136 1.00 10.78 C ATOM 661 CD1 PHE A1866 -14.673 -7.715 -6.541 1.00 12.02 C ATOM 662 CD2 PHE A1866 -12.689 -8.058 -5.272 1.00 12.23 C ATOM 663 CE1 PHE A1866 -15.211 -8.895 -6.063 1.00 13.39 C ATOM 664 CE2 PHE A1866 -13.233 -9.266 -4.784 1.00 13.49 C ATOM 665 CZ PHE A1866 -14.494 -9.660 -5.196 1.00 13.83 C ATOM 666 H PHE A1866 -11.896 -7.782 -8.376 1.00 0.00 H ATOM 667 N ASP A1867 -11.085 -4.808 -9.226 1.00 8.09 N ATOM 668 CA ASP A1867 -10.409 -3.691 -9.876 1.00 8.58 C ATOM 669 C ASP A1867 -11.025 -3.410 -11.242 1.00 8.28 C ATOM 670 O ASP A1867 -11.197 -2.245 -11.626 1.00 8.92 O ATOM 671 CB ASP A1867 -8.912 -3.987 -10.005 1.00 10.01 C ATOM 672 CG ASP A1867 -8.162 -3.873 -8.686 1.00 12.17 C ATOM 673 OD1 ASP A1867 -8.688 -3.297 -7.715 1.00 12.65 O ATOM 674 OD2 ASP A1867 -7.020 -4.363 -8.632 1.00 14.69 O ATOM 675 H ASP A1867 -10.575 -5.699 -9.064 1.00 0.00 H ATOM 676 N ASN A1868 -11.345 -4.456 -12.005 1.00 8.32 N ATOM 677 CA ASN A1868 -12.031 -4.239 -13.274 1.00 7.76 C ATOM 678 C ASN A1868 -13.347 -3.511 -13.050 1.00 7.67 C ATOM 679 O ASN A1868 -13.701 -2.585 -13.786 1.00 8.07 O ATOM 680 CB ASN A1868 -12.302 -5.576 -13.970 1.00 7.95 C ATOM 681 CG ASN A1868 -11.057 -6.231 -14.540 1.00 8.57 C ATOM 682 OD1 ASN A1868 -10.019 -5.596 -14.716 1.00 9.62 O ATOM 683 ND2 ASN A1868 -11.180 -7.510 -14.883 1.00 9.02 N ATOM 684 HD22 ASN A1868 -12.077 -8.009 -14.716 1.00 0.00 H ATOM 685 HD21 ASN A1868 -10.379 -8.011 -15.318 1.00 0.00 H ATOM 686 H ASN A1868 -11.107 -5.420 -11.697 1.00 0.00 H ATOM 687 N CYS A1869 -14.107 -3.956 -12.049 1.00 7.72 N ATOM 688 CA CYS A1869 -15.410 -3.361 -11.790 1.00 7.65 C ATOM 689 C CYS A1869 -15.283 -1.878 -11.467 1.00 7.77 C ATOM 690 O CYS A1869 -16.074 -1.055 -11.950 1.00 8.34 O ATOM 691 CB CYS A1869 -16.071 -4.126 -10.649 1.00 7.96 C ATOM 692 SG CYS A1869 -17.741 -3.560 -10.250 1.00 8.12 S ATOM 693 H CYS A1869 -13.766 -4.734 -11.449 1.00 0.00 H ATOM 694 N GLN A1870 -14.303 -1.528 -10.638 1.00 7.98 N ATOM 695 CA GLN A1870 -14.095 -0.136 -10.246 1.00 9.29 C ATOM 696 C GLN A1870 -13.646 0.722 -11.429 1.00 9.22 C ATOM 697 O GLN A1870 -14.053 1.884 -11.553 1.00 10.56 O ATOM 698 CB GLN A1870 -13.070 -0.092 -9.113 1.00 11.30 C ATOM 699 CG GLN A1870 -12.821 1.304 -8.574 1.00 15.33 C ATOM 700 CD GLN A1870 -11.946 1.322 -7.339 1.00 19.74 C ATOM 701 OE1 GLN A1870 -12.044 0.455 -6.476 1.00 22.53 O ATOM 702 NE2 GLN A1870 -11.088 2.327 -7.246 1.00 21.69 N ATOM 703 HE22 GLN A1870 -11.038 3.040 -8.001 1.00 0.00 H ATOM 704 HE21 GLN A1870 -10.464 2.403 -6.418 1.00 0.00 H ATOM 705 H GLN A1870 -13.671 -2.262 -10.260 1.00 0.00 H ATOM 706 N THR A1871 -12.813 0.171 -12.309 1.00 8.74 N ATOM 707 CA THR A1871 -12.406 0.920 -13.493 1.00 9.61 C ATOM 708 C THR A1871 -13.584 1.159 -14.420 1.00 9.37 C ATOM 709 O THR A1871 -13.739 2.258 -14.972 1.00 10.54 O ATOM 710 CB THR A1871 -11.295 0.167 -14.215 1.00 10.96 C ATOM 711 OG1 THR A1871 -10.128 0.172 -13.385 1.00 12.05 O ATOM 712 CG2 THR A1871 -10.977 0.788 -15.585 1.00 12.05 C ATOM 713 HG1 THR A1871 -9.397 -0.315 -13.842 1.00 0.00 H ATOM 714 H THR A1871 -12.453 -0.792 -12.153 1.00 0.00 H ATOM 715 N PHE A1872 -14.408 0.138 -14.637 1.00 8.57 N ATOM 716 CA PHE A1872 -15.411 0.232 -15.686 1.00 8.12 C ATOM 717 C PHE A1872 -16.650 1.007 -15.253 1.00 8.37 C ATOM 718 O PHE A1872 -17.251 1.701 -16.083 1.00 8.99 O ATOM 719 CB PHE A1872 -15.809 -1.160 -16.186 1.00 8.64 C ATOM 720 CG PHE A1872 -16.631 -1.097 -17.432 1.00 8.24 C ATOM 721 CD1 PHE A1872 -16.033 -0.783 -18.637 1.00 9.40 C ATOM 722 CD2 PHE A1872 -18.000 -1.278 -17.396 1.00 9.15 C ATOM 723 CE1 PHE A1872 -16.781 -0.672 -19.790 1.00 10.12 C ATOM 724 CE2 PHE A1872 -18.756 -1.163 -18.556 1.00 9.77 C ATOM 725 CZ PHE A1872 -18.139 -0.851 -19.745 1.00 9.99 C ATOM 726 H PHE A1872 -14.336 -0.724 -14.059 1.00 0.00 H ATOM 727 N ASN A1873 -17.083 0.841 -13.994 1.00 8.90 N ATOM 728 CA ASN A1873 -18.391 1.296 -13.531 1.00 9.27 C ATOM 729 C ASN A1873 -18.263 2.443 -12.540 1.00 9.70 C ATOM 730 O ASN A1873 -17.302 2.512 -11.774 1.00 10.20 O ATOM 731 CB ASN A1873 -19.138 0.155 -12.844 1.00 9.28 C ATOM 732 CG ASN A1873 -19.314 -1.039 -13.748 1.00 8.96 C ATOM 733 OD1 ASN A1873 -20.225 -1.077 -14.581 1.00 10.40 O ATOM 734 ND2 ASN A1873 -18.430 -2.020 -13.604 1.00 9.14 N ATOM 735 HD22 ASN A1873 -17.680 -1.943 -12.888 1.00 0.00 H ATOM 736 HD21 ASN A1873 -18.488 -2.865 -14.207 1.00 0.00 H ATOM 737 H ASN A1873 -16.456 0.365 -13.314 1.00 0.00 H ATOM 738 N GLU A1874 -19.257 3.331 -12.533 1.00 10.56 N ATOM 739 CA GLU A1874 -19.324 4.378 -11.517 1.00 11.78 C ATOM 740 C GLU A1874 -19.564 3.780 -10.136 1.00 10.98 C ATOM 741 O GLU A1874 -20.286 2.798 -9.982 1.00 10.33 O ATOM 742 CB GLU A1874 -20.476 5.338 -11.824 1.00 13.78 C ATOM 743 CG GLU A1874 -20.262 6.167 -13.060 1.00 16.25 C ATOM 744 CD GLU A1874 -19.125 7.140 -12.883 1.00 19.00 C ATOM 745 OE1 GLU A1874 -19.159 7.910 -11.908 1.00 21.05 O ATOM 746 OE2 GLU A1874 -18.177 7.110 -13.686 1.00 21.10 O ATOM 747 H GLU A1874 -19.996 3.277 -13.262 1.00 0.00 H ATOM 748 N ASP A1875 -19.010 4.428 -9.110 1.00 11.59 N ATOM 749 CA ASP A1875 -19.172 3.935 -7.741 1.00 12.05 C ATOM 750 C ASP A1875 -20.634 3.855 -7.317 1.00 13.76 C ATOM 751 O ASP A1875 -21.003 2.987 -6.510 1.00 15.47 O ATOM 752 CB ASP A1875 -18.435 4.847 -6.765 1.00 12.58 C ATOM 753 CG ASP A1875 -16.930 4.763 -6.893 1.00 11.70 C ATOM 754 OD1 ASP A1875 -16.392 3.771 -7.454 1.00 12.04 O ATOM 755 OD2 ASP A1875 -16.284 5.707 -6.405 1.00 12.63 O ATOM 756 H ASP A1875 -18.458 5.292 -9.284 1.00 0.00 H ATOM 757 N ASP A1876 -21.475 4.751 -7.826 1.00 14.50 N ATOM 758 CA ASP A1876 -22.873 4.787 -7.428 1.00 15.75 C ATOM 759 C ASP A1876 -23.795 4.077 -8.418 1.00 13.87 C ATOM 760 O ASP A1876 -25.019 4.147 -8.256 1.00 14.86 O ATOM 761 CB ASP A1876 -23.325 6.218 -7.118 1.00 18.25 C ATOM 762 CG ASP A1876 -23.183 7.148 -8.290 1.00 19.99 C ATOM 763 OD1 ASP A1876 -22.987 6.674 -9.418 1.00 20.32 O ATOM 764 OD2 ASP A1876 -23.270 8.375 -8.080 1.00 21.72 O ATOM 765 H ASP A1876 -21.126 5.440 -8.523 1.00 0.00 H ATOM 766 N SER A1877 -23.238 3.343 -9.388 1.00 11.98 N ATOM 767 CA SER A1877 -24.036 2.445 -10.205 1.00 11.07 C ATOM 768 C SER A1877 -24.303 1.160 -9.434 1.00 10.27 C ATOM 769 O SER A1877 -23.616 0.837 -8.464 1.00 10.64 O ATOM 770 CB SER A1877 -23.318 2.095 -11.511 1.00 11.41 C ATOM 771 OG SER A1877 -22.157 1.303 -11.300 1.00 10.40 O ATOM 772 HG SER A1877 -21.521 1.799 -10.726 1.00 0.00 H ATOM 773 H SER A1877 -22.215 3.417 -9.560 1.00 0.00 H ATOM 774 N GLU A1878 -25.299 0.399 -9.883 1.00 10.45 N ATOM 775 CA GLU A1878 -25.603 -0.844 -9.179 1.00 10.86 C ATOM 776 C GLU A1878 -24.433 -1.823 -9.238 1.00 9.52 C ATOM 777 O GLU A1878 -24.092 -2.453 -8.228 1.00 9.81 O ATOM 778 CB GLU A1878 -26.880 -1.478 -9.728 1.00 13.46 C ATOM 779 CG GLU A1878 -28.133 -0.691 -9.359 1.00 16.63 C ATOM 780 CD GLU A1878 -28.221 -0.395 -7.864 1.00 20.05 C ATOM 781 OE1 GLU A1878 -28.182 -1.343 -7.045 1.00 22.30 O ATOM 782 OE2 GLU A1878 -28.290 0.796 -7.507 1.00 22.19 O ATOM 783 H GLU A1878 -25.849 0.684 -10.718 1.00 0.00 H ATOM 784 N VAL A1879 -23.808 -1.981 -10.405 1.00 8.82 N ATOM 785 CA VAL A1879 -22.670 -2.885 -10.498 1.00 8.30 C ATOM 786 C VAL A1879 -21.492 -2.341 -9.696 1.00 7.94 C ATOM 787 O VAL A1879 -20.799 -3.090 -8.999 1.00 8.11 O ATOM 788 CB VAL A1879 -22.323 -3.147 -11.977 1.00 8.35 C ATOM 789 CG1 VAL A1879 -21.018 -3.929 -12.091 1.00 8.74 C ATOM 790 CG2 VAL A1879 -23.457 -3.903 -12.659 1.00 9.15 C ATOM 791 H VAL A1879 -24.132 -1.461 -11.245 1.00 0.00 H ATOM 792 N GLY A1880 -21.232 -1.035 -9.778 1.00 8.45 N ATOM 793 CA GLY A1880 -20.134 -0.469 -9.019 1.00 8.64 C ATOM 794 C GLY A1880 -20.306 -0.641 -7.521 1.00 8.30 C ATOM 795 O GLY A1880 -19.353 -0.988 -6.809 1.00 8.78 O ATOM 796 H GLY A1880 -21.816 -0.424 -10.385 1.00 0.00 H ATOM 797 N LYS A1881 -21.519 -0.399 -7.021 1.00 8.65 N ATOM 798 CA LYS A1881 -21.775 -0.588 -5.596 1.00 9.69 C ATOM 799 C LYS A1881 -21.517 -2.025 -5.188 1.00 8.48 C ATOM 800 O LYS A1881 -20.949 -2.288 -4.118 1.00 8.82 O ATOM 801 CB LYS A1881 -23.224 -0.216 -5.272 1.00 11.42 C ATOM 802 CG LYS A1881 -23.487 1.274 -5.324 1.00 14.57 C ATOM 803 CD LYS A1881 -24.864 1.657 -4.855 1.00 18.24 C ATOM 804 CE LYS A1881 -25.954 1.332 -5.835 1.00 20.79 C ATOM 805 NZ LYS A1881 -27.260 1.910 -5.366 1.00 22.14 N ATOM 806 HZ1 LYS A1881 -27.503 1.507 -4.439 1.00 0.00 H ATOM 807 HZ2 LYS A1881 -27.171 2.943 -5.284 1.00 0.00 H ATOM 808 HZ3 LYS A1881 -28.006 1.679 -6.052 1.00 0.00 H ATOM 809 H LYS A1881 -22.284 -0.075 -7.647 1.00 0.00 H ATOM 810 N ALA A1882 -21.959 -2.969 -6.015 1.00 8.31 N ATOM 811 CA ALA A1882 -21.787 -4.380 -5.703 1.00 8.36 C ATOM 812 C ALA A1882 -20.312 -4.746 -5.631 1.00 7.98 C ATOM 813 O ALA A1882 -19.904 -5.531 -4.768 1.00 8.47 O ATOM 814 CB ALA A1882 -22.529 -5.235 -6.740 1.00 8.64 C ATOM 815 H ALA A1882 -22.435 -2.694 -6.898 1.00 0.00 H ATOM 816 N GLY A1883 -19.498 -4.209 -6.544 1.00 7.83 N ATOM 817 CA GLY A1883 -18.078 -4.507 -6.518 1.00 8.35 C ATOM 818 C GLY A1883 -17.414 -4.063 -5.230 1.00 7.99 C ATOM 819 O GLY A1883 -16.581 -4.782 -4.668 1.00 8.03 O ATOM 820 H GLY A1883 -19.883 -3.576 -7.274 1.00 0.00 H ATOM 821 N HIS A1884 -17.770 -2.868 -4.739 1.00 8.04 N ATOM 822 CA HIS A1884 -17.176 -2.401 -3.490 1.00 8.72 C ATOM 823 C HIS A1884 -17.576 -3.289 -2.320 1.00 8.71 C ATOM 824 O HIS A1884 -16.751 -3.579 -1.444 1.00 9.46 O ATOM 825 CB HIS A1884 -17.560 -0.950 -3.226 1.00 9.59 C ATOM 826 CG HIS A1884 -16.912 0.008 -4.171 1.00 10.34 C ATOM 827 ND1 HIS A1884 -15.544 0.100 -4.314 1.00 12.62 N ATOM 828 CD2 HIS A1884 -17.444 0.919 -5.016 1.00 11.12 C ATOM 829 CE1 HIS A1884 -15.265 1.027 -5.215 1.00 12.26 C ATOM 830 NE2 HIS A1884 -16.399 1.533 -5.661 1.00 11.14 N ATOM 831 H HIS A1884 -18.463 -2.279 -5.243 1.00 0.00 H ATOM 832 N ILE A1885 -18.837 -3.717 -2.275 1.00 8.49 N ATOM 833 CA ILE A1885 -19.289 -4.620 -1.218 1.00 9.11 C ATOM 834 C ILE A1885 -18.532 -5.938 -1.294 1.00 8.57 C ATOM 835 O ILE A1885 -18.066 -6.476 -0.277 1.00 8.77 O ATOM 836 CB ILE A1885 -20.812 -4.824 -1.317 1.00 9.77 C ATOM 837 CG1 ILE A1885 -21.527 -3.524 -0.952 1.00 11.82 C ATOM 838 CG2 ILE A1885 -21.268 -6.001 -0.463 1.00 10.34 C ATOM 839 CD1 ILE A1885 -22.958 -3.505 -1.265 1.00 14.71 C ATOM 840 H ILE A1885 -19.510 -3.404 -3.003 1.00 0.00 H ATOM 841 N MET A1886 -18.414 -6.487 -2.503 1.00 8.11 N ATOM 842 CA MET A1886 -17.762 -7.777 -2.662 1.00 8.33 C ATOM 843 C MET A1886 -16.280 -7.712 -2.322 1.00 7.98 C ATOM 844 O MET A1886 -15.740 -8.659 -1.740 1.00 8.33 O ATOM 845 CB MET A1886 -17.962 -8.318 -4.071 1.00 7.89 C ATOM 846 CG MET A1886 -19.386 -8.746 -4.399 1.00 8.13 C ATOM 847 SD MET A1886 -20.165 -9.847 -3.205 1.00 8.76 S ATOM 848 CE MET A1886 -19.013 -11.205 -3.204 1.00 9.97 C ATOM 849 H MET A1886 -18.790 -5.991 -3.336 1.00 0.00 H ATOM 850 N ARG A1887 -15.594 -6.620 -2.679 1.00 8.21 N ATOM 851 CA ARG A1887 -14.180 -6.509 -2.330 1.00 8.68 C ATOM 852 C ARG A1887 -13.996 -6.562 -0.818 1.00 8.49 C ATOM 853 O ARG A1887 -13.125 -7.272 -0.303 1.00 9.23 O ATOM 854 CB ARG A1887 -13.564 -5.218 -2.886 1.00 9.44 C ATOM 855 CG ARG A1887 -12.057 -5.124 -2.603 1.00 11.14 C ATOM 856 CD ARG A1887 -11.506 -3.721 -2.757 1.00 11.78 C ATOM 857 NE ARG A1887 -11.676 -3.199 -4.105 1.00 12.41 N ATOM 858 CZ ARG A1887 -10.814 -3.342 -5.112 1.00 12.72 C ATOM 859 NH1 ARG A1887 -9.687 -4.017 -4.962 1.00 13.65 N ATOM 860 NH2 ARG A1887 -11.106 -2.821 -6.295 1.00 13.15 N ATOM 861 HE ARG A1887 -12.548 -2.667 -4.300 1.00 0.00 H ATOM 862 HH12 ARG A1887 -9.030 -4.116 -5.762 1.00 0.00 H ATOM 863 HH11 ARG A1887 -9.458 -4.449 -4.044 1.00 0.00 H ATOM 864 HH22 ARG A1887 -10.441 -2.926 -7.088 1.00 0.00 H ATOM 865 HH21 ARG A1887 -12.000 -2.307 -6.430 1.00 0.00 H ATOM 866 H ARG A1887 -16.065 -5.854 -3.202 1.00 0.00 H ATOM 867 N ARG A1888 -14.794 -5.793 -0.090 1.00 8.78 N ATOM 868 CA ARG A1888 -14.634 -5.777 1.354 1.00 9.82 C ATOM 869 C ARG A1888 -14.999 -7.126 1.965 1.00 9.38 C ATOM 870 O ARG A1888 -14.354 -7.582 2.923 1.00 10.02 O ATOM 871 CB ARG A1888 -15.473 -4.648 1.936 1.00 11.57 C ATOM 872 CG ARG A1888 -15.405 -4.531 3.433 1.00 13.70 C ATOM 873 CD ARG A1888 -13.978 -4.348 3.998 1.00 16.27 C ATOM 874 NE ARG A1888 -13.992 -4.427 5.459 1.00 19.38 N ATOM 875 CZ ARG A1888 -12.920 -4.661 6.213 1.00 22.90 C ATOM 876 NH1 ARG A1888 -11.736 -4.844 5.636 1.00 24.94 N ATOM 877 NH2 ARG A1888 -13.027 -4.714 7.541 1.00 24.50 N ATOM 878 HE ARG A1888 -14.903 -4.291 5.942 1.00 0.00 H ATOM 879 HH12 ARG A1888 -10.895 -5.027 6.220 1.00 0.00 H ATOM 880 HH11 ARG A1888 -11.651 -4.804 4.600 1.00 0.00 H ATOM 881 HH22 ARG A1888 -12.185 -4.897 8.124 1.00 0.00 H ATOM 882 HH21 ARG A1888 -13.952 -4.572 7.994 1.00 0.00 H ATOM 883 H ARG A1888 -15.524 -5.210 -0.546 1.00 0.00 H ATOM 884 N PHE A1889 -16.031 -7.779 1.432 1.00 9.22 N ATOM 885 CA PHE A1889 -16.395 -9.116 1.895 1.00 9.81 C ATOM 886 C PHE A1889 -15.240 -10.089 1.693 1.00 9.31 C ATOM 887 O PHE A1889 -14.875 -10.840 2.612 1.00 10.32 O ATOM 888 CB PHE A1889 -17.649 -9.594 1.154 1.00 10.18 C ATOM 889 CG PHE A1889 -18.083 -10.979 1.532 1.00 10.55 C ATOM 890 CD1 PHE A1889 -18.834 -11.193 2.675 1.00 11.63 C ATOM 891 CD2 PHE A1889 -17.744 -12.073 0.757 1.00 11.34 C ATOM 892 CE1 PHE A1889 -19.240 -12.467 3.039 1.00 12.84 C ATOM 893 CE2 PHE A1889 -18.155 -13.349 1.114 1.00 12.92 C ATOM 894 CZ PHE A1889 -18.903 -13.544 2.255 1.00 13.19 C ATOM 895 H PHE A1889 -16.586 -7.330 0.675 1.00 0.00 H ATOM 896 N PHE A1890 -14.663 -10.092 0.485 1.00 9.07 N ATOM 897 CA PHE A1890 -13.505 -10.929 0.193 1.00 9.67 C ATOM 898 C PHE A1890 -12.354 -10.650 1.156 1.00 10.07 C ATOM 899 O PHE A1890 -11.786 -11.576 1.748 1.00 11.02 O ATOM 900 CB PHE A1890 -13.048 -10.700 -1.250 1.00 9.40 C ATOM 901 CG PHE A1890 -11.747 -11.373 -1.547 1.00 10.11 C ATOM 902 CD1 PHE A1890 -11.682 -12.752 -1.690 1.00 10.93 C ATOM 903 CD2 PHE A1890 -10.571 -10.645 -1.602 1.00 11.65 C ATOM 904 CE1 PHE A1890 -10.462 -13.377 -1.897 1.00 11.85 C ATOM 905 CE2 PHE A1890 -9.360 -11.264 -1.818 1.00 12.73 C ATOM 906 CZ PHE A1890 -9.302 -12.629 -1.954 1.00 12.67 C ATOM 907 H PHE A1890 -15.050 -9.483 -0.264 1.00 0.00 H ATOM 908 N GLU A1891 -11.984 -9.375 1.310 1.00 10.56 N ATOM 909 CA GLU A1891 -10.834 -9.039 2.146 1.00 13.03 C ATOM 910 C GLU A1891 -11.054 -9.483 3.586 1.00 13.75 C ATOM 911 O GLU A1891 -10.135 -9.988 4.246 1.00 14.23 O ATOM 912 CB GLU A1891 -10.577 -7.533 2.086 1.00 15.88 C ATOM 913 CG GLU A1891 -9.986 -7.048 0.773 1.00 19.64 C ATOM 914 CD GLU A1891 -10.009 -5.528 0.646 1.00 22.97 C ATOM 915 OE1 GLU A1891 -10.736 -4.873 1.422 1.00 24.58 O ATOM 916 OE2 GLU A1891 -9.306 -4.987 -0.232 1.00 23.64 O ATOM 917 H GLU A1891 -12.516 -8.620 0.833 1.00 0.00 H ATOM 918 N SER A1892 -12.278 -9.326 4.084 1.00 14.45 N ATOM 919 CA SER A1892 -12.577 -9.685 5.466 1.00 16.07 C ATOM 920 C SER A1892 -12.490 -11.193 5.673 1.00 16.35 C ATOM 921 O SER A1892 -11.912 -11.661 6.661 1.00 17.38 O ATOM 922 CB SER A1892 -13.967 -9.162 5.828 1.00 17.59 C ATOM 923 OG SER A1892 -14.274 -9.424 7.185 1.00 18.45 O ATOM 924 HG SER A1892 -15.177 -9.075 7.391 1.00 0.00 H ATOM 925 H SER A1892 -13.032 -8.942 3.479 1.00 0.00 H ATOM 926 N ARG A1893 -13.077 -11.968 4.758 1.00 16.98 N ATOM 927 CA ARG A1893 -13.029 -13.420 4.882 1.00 18.36 C ATOM 928 C ARG A1893 -11.613 -13.927 4.690 1.00 16.73 C ATOM 929 O ARG A1893 -11.166 -14.828 5.408 1.00 17.34 O ATOM 930 CB ARG A1893 -13.945 -14.094 3.863 1.00 21.75 C ATOM 931 CG ARG A1893 -15.412 -13.742 3.951 1.00 25.30 C ATOM 932 CD ARG A1893 -16.046 -14.205 5.261 1.00 28.17 C ATOM 933 NE ARG A1893 -16.220 -15.658 5.327 1.00 30.35 N ATOM 934 CZ ARG A1893 -15.366 -16.511 5.895 1.00 31.88 C ATOM 935 NH1 ARG A1893 -14.246 -16.082 6.458 1.00 32.69 N ATOM 936 NH2 ARG A1893 -15.632 -17.808 5.902 1.00 32.30 N ATOM 937 HE ARG A1893 -17.079 -16.057 4.896 1.00 0.00 H ATOM 938 HH12 ARG A1893 -13.591 -16.761 6.896 1.00 0.00 H ATOM 939 HH11 ARG A1893 -14.022 -15.067 6.462 1.00 0.00 H ATOM 940 HH22 ARG A1893 -14.966 -18.473 6.345 1.00 0.00 H ATOM 941 HH21 ARG A1893 -16.507 -18.162 5.465 1.00 0.00 H ATOM 942 H ARG A1893 -13.571 -11.534 3.952 1.00 0.00 H ATOM 943 N TRP A1894 -10.895 -13.346 3.729 1.00 16.06 N ATOM 944 CA TRP A1894 -9.525 -13.757 3.452 1.00 16.22 C ATOM 945 C TRP A1894 -8.659 -13.674 4.699 1.00 17.44 C ATOM 946 O TRP A1894 -7.874 -14.587 4.988 1.00 18.32 O ATOM 947 CB TRP A1894 -8.953 -12.846 2.373 1.00 16.52 C ATOM 948 CG TRP A1894 -7.679 -13.321 1.807 1.00 17.06 C ATOM 949 CD1 TRP A1894 -6.436 -12.819 2.022 1.00 18.14 C ATOM 950 CD2 TRP A1894 -7.524 -14.413 0.911 1.00 16.81 C ATOM 951 NE1 TRP A1894 -5.506 -13.535 1.304 1.00 17.85 N ATOM 952 CE2 TRP A1894 -6.159 -14.508 0.595 1.00 16.67 C ATOM 953 CE3 TRP A1894 -8.417 -15.308 0.326 1.00 16.89 C ATOM 954 CZ2 TRP A1894 -5.664 -15.472 -0.271 1.00 16.22 C ATOM 955 CZ3 TRP A1894 -7.935 -16.254 -0.533 1.00 16.59 C ATOM 956 CH2 TRP A1894 -6.564 -16.339 -0.821 1.00 16.03 C ATOM 957 HE1 TRP A1894 -4.480 -13.366 1.300 1.00 0.00 H ATOM 958 H TRP A1894 -11.322 -12.583 3.165 1.00 0.00 H ATOM 959 N GLU A1895 -8.792 -12.579 5.448 1.00 17.86 N ATOM 960 CA GLU A1895 -7.957 -12.340 6.617 1.00 20.15 C ATOM 961 C GLU A1895 -8.151 -13.403 7.686 1.00 19.22 C ATOM 962 O GLU A1895 -7.252 -13.611 8.509 1.00 19.94 O ATOM 963 CB GLU A1895 -8.306 -10.957 7.168 1.00 24.29 C ATOM 964 CG GLU A1895 -7.321 -10.361 8.145 1.00 28.55 C ATOM 965 CD GLU A1895 -7.663 -8.915 8.445 1.00 32.01 C ATOM 966 OE1 GLU A1895 -6.741 -8.069 8.455 1.00 33.56 O ATOM 967 OE2 GLU A1895 -8.863 -8.621 8.647 1.00 33.05 O ATOM 968 H GLU A1895 -9.513 -11.875 5.190 1.00 0.00 H ATOM 969 N GLU A1896 -9.294 -14.087 7.695 1.00 17.47 N ATOM 970 CA GLU A1896 -9.513 -15.153 8.669 1.00 17.79 C ATOM 971 C GLU A1896 -8.632 -16.369 8.408 1.00 16.70 C ATOM 972 O GLU A1896 -8.213 -17.043 9.355 1.00 18.49 O ATOM 973 CB GLU A1896 -10.969 -15.587 8.659 1.00 19.28 C ATOM 974 CG GLU A1896 -11.904 -14.464 9.056 1.00 21.93 C ATOM 975 CD GLU A1896 -13.351 -14.889 9.087 1.00 24.82 C ATOM 976 OE1 GLU A1896 -13.616 -16.072 9.391 1.00 26.18 O ATOM 977 OE2 GLU A1896 -14.223 -14.043 8.801 1.00 26.27 O ATOM 978 H GLU A1896 -10.036 -13.860 7.003 1.00 0.00 H ATOM 979 N PHE A1897 -8.352 -16.677 7.144 1.00 15.08 N ATOM 980 CA PHE A1897 -7.596 -17.871 6.788 1.00 14.80 C ATOM 981 C PHE A1897 -6.155 -17.568 6.407 1.00 14.20 C ATOM 982 O PHE A1897 -5.284 -18.415 6.617 1.00 14.33 O ATOM 983 CB PHE A1897 -8.277 -18.593 5.615 1.00 16.12 C ATOM 984 CG PHE A1897 -9.716 -18.957 5.873 1.00 18.11 C ATOM 985 CD1 PHE A1897 -10.677 -18.753 4.899 1.00 19.76 C ATOM 986 CD2 PHE A1897 -10.113 -19.506 7.083 1.00 19.17 C ATOM 987 CE1 PHE A1897 -12.001 -19.082 5.126 1.00 21.02 C ATOM 988 CE2 PHE A1897 -11.441 -19.836 7.307 1.00 20.11 C ATOM 989 CZ PHE A1897 -12.378 -19.629 6.326 1.00 20.89 C ATOM 990 H PHE A1897 -8.683 -16.046 6.387 1.00 0.00 H ATOM 991 N TYR A1898 -5.907 -16.379 5.850 1.00 15.11 N ATOM 992 CA TYR A1898 -4.606 -15.953 5.339 1.00 18.64 C ATOM 993 C TYR A1898 -4.348 -14.566 5.918 1.00 25.09 C ATOM 994 O TYR A1898 -4.843 -13.573 5.379 1.00 26.24 O ATOM 995 CB TYR A1898 -4.648 -15.870 3.814 1.00 16.81 C ATOM 996 CG TYR A1898 -4.866 -17.195 3.135 1.00 15.29 C ATOM 997 CD1 TYR A1898 -3.816 -18.082 2.997 1.00 15.36 C ATOM 998 CD2 TYR A1898 -6.115 -17.573 2.645 1.00 15.54 C ATOM 999 CE1 TYR A1898 -3.982 -19.291 2.384 1.00 15.42 C ATOM 1000 CE2 TYR A1898 -6.292 -18.807 2.026 1.00 15.85 C ATOM 1001 CZ TYR A1898 -5.214 -19.658 1.902 1.00 15.92 C ATOM 1002 OH TYR A1898 -5.351 -20.882 1.286 1.00 17.94 O ATOM 1003 HH TYR A1898 -4.479 -21.351 1.290 1.00 0.00 H ATOM 1004 H TYR A1898 -6.698 -15.708 5.775 1.00 0.00 H ATOM 1005 N GLN A1899 -3.589 -14.475 7.002 1.00 29.88 N ATOM 1006 CA GLN A1899 -3.256 -13.154 7.546 1.00 34.39 C ATOM 1007 C GLN A1899 -1.833 -12.752 7.173 1.00 36.27 C ATOM 1008 O GLN A1899 -1.036 -13.571 6.708 1.00 36.97 O ATOM 1009 CB GLN A1899 -3.457 -13.077 9.066 1.00 36.54 C ATOM 1010 CG GLN A1899 -3.114 -14.332 9.825 1.00 38.22 C ATOM 1011 CD GLN A1899 -4.171 -15.396 9.661 1.00 39.51 C ATOM 1012 OE1 GLN A1899 -5.359 -15.139 9.839 1.00 40.07 O ATOM 1013 NE2 GLN A1899 -3.749 -16.590 9.286 1.00 39.99 N ATOM 1014 OXT GLN A1899 -1.457 -11.587 7.317 1.00 37.05 O ATOM 1015 HE22 GLN A1899 -2.733 -16.762 9.147 1.00 0.00 H ATOM 1016 HE21 GLN A1899 -4.433 -17.358 9.130 1.00 0.00 H ATOM 1017 H GLN A1899 -3.232 -15.336 7.464 1.00 0.00 H TER 1018 GLN A1899 HETATM 1019 O HOH 1 -2.401 -17.463 7.727 1.00 24.75 O HETATM 1020 O HOH 2 -2.995 -17.866 11.009 1.00 18.60 O HETATM 1021 O HOH 3 -10.304 -4.520 3.758 1.00 32.78 O HETATM 1022 O HOH 4 -21.794 -10.175 -15.950 1.00 21.23 O HETATM 1023 O HOH 5 -18.811 -21.242 4.301 1.00 25.61 O HETATM 1024 O HOH 6 -15.385 -7.589 8.297 1.00 25.03 O HETATM 1025 O HOH 7 -15.012 -11.723 7.625 1.00 34.97 O HETATM 1026 O HOH 8 -32.591 -10.073 -14.736 1.00 14.36 O HETATM 1027 O HOH 9 -6.723 -22.907 0.872 1.00 26.63 O HETATM 1028 O HOH 10 -14.602 -4.093 9.359 1.00 22.96 O HETATM 1029 O HOH 11 -24.443 -2.810 -16.336 1.00 24.24 O HETATM 1030 O HOH 12 0.831 -14.201 8.315 1.00 31.99 O HETATM 1031 O HOH 13 -15.182 4.199 -11.600 1.00 31.26 O HETATM 1032 O HOH 14 -16.684 -25.510 -12.711 1.00 39.07 O HETATM 1033 O HOH 15 -20.754 -22.017 -5.479 1.00 26.21 O HETATM 1034 O HOH 16 -15.803 -5.280 -14.565 1.00 8.94 O HETATM 1035 O HOH 17 -2.030 -15.347 0.837 1.00 31.14 O HETATM 1036 O HOH 18 -12.305 -7.704 -21.596 1.00 27.05 O HETATM 1037 O HOH 19 -8.258 -1.422 -14.324 1.00 24.36 O HETATM 1038 O HOH 20 -25.394 -15.115 -5.293 1.00 21.58 O HETATM 1039 O HOH 21 -16.831 -14.347 8.571 1.00 40.24 O HETATM 1040 O HOH 22 -28.306 -7.994 0.859 1.00 23.12 O HETATM 1041 O HOH 23 -17.543 5.029 -15.176 1.00 20.78 O HETATM 1042 O HOH 24 -5.630 -14.568 -14.364 1.00 25.41 O HETATM 1043 O HOH 25 -14.120 -8.844 -15.714 1.00 11.02 O HETATM 1044 O HOH 26 -15.547 -7.265 -12.606 1.00 8.79 O HETATM 1045 O HOH 27 -8.103 -4.304 -2.500 1.00 35.66 O HETATM 1046 O HOH 28 -16.254 -9.526 -13.736 1.00 10.15 O HETATM 1047 O HOH 29 -14.149 -12.990 -17.050 1.00 10.88 O HETATM 1048 O HOH 30 -24.023 9.850 -5.980 1.00 37.11 O HETATM 1049 O HOH 31 -25.843 -3.554 -25.072 1.00 46.15 O HETATM 1050 O HOH 32 -7.095 -17.165 -14.229 1.00 15.60 O HETATM 1051 O HOH 33 -13.569 -26.379 -0.008 1.00 44.96 O HETATM 1052 O HOH 34 -3.117 -22.366 1.148 1.00 34.90 O HETATM 1053 O HOH 35 -20.770 -21.448 -14.717 1.00 38.12 O HETATM 1054 O HOH 36 -5.904 -6.179 -10.301 1.00 18.28 O HETATM 1055 O HOH 37 -6.867 -13.502 11.383 1.00 36.11 O HETATM 1056 O HOH 38 -11.902 -10.629 9.169 1.00 26.85 O HETATM 1057 O HOH 39 -13.924 -2.117 -5.181 1.00 15.09 O HETATM 1058 O HOH 40 -5.009 -8.553 -9.291 1.00 15.74 O HETATM 1059 O HOH 41 -15.441 -10.656 -20.336 1.00 12.32 O HETATM 1060 O HOH 42 -20.587 -3.992 -27.288 1.00 20.84 O HETATM 1061 O HOH 43 -23.612 -18.664 -12.639 1.00 22.08 O HETATM 1062 O HOH 44 -21.094 -14.364 -20.716 1.00 26.56 O HETATM 1063 O HOH 45 -11.031 0.296 -3.947 1.00 27.58 O HETATM 1064 O HOH 46 3.235 -22.786 -4.064 1.00 47.69 O HETATM 1065 O HOH 47 -6.776 -26.194 1.750 1.00 29.58 O HETATM 1066 O HOH 48 -22.512 0.424 -14.544 1.00 15.48 O HETATM 1067 O HOH 49 -27.747 -14.326 -2.610 1.00 17.70 O HETATM 1068 O HOH 50 -19.052 -25.732 -15.360 1.00 40.16 O HETATM 1069 O HOH 51 -7.825 -12.139 -17.637 1.00 20.47 O HETATM 1070 O HOH 52 -6.326 -30.889 -13.356 1.00 12.31 O HETATM 1071 O HOH 53 -22.298 -15.271 1.185 1.00 17.78 O HETATM 1072 O HOH 54 -4.640 -12.403 -11.666 1.00 18.55 O HETATM 1073 O HOH 55 -8.310 0.844 -20.143 1.00 28.45 O HETATM 1074 O HOH 56 -27.527 3.130 -8.823 1.00 25.09 O HETATM 1075 O HOH 57 -6.794 -8.028 -23.788 1.00 35.93 O HETATM 1076 O HOH 58 -25.896 -3.114 -6.230 1.00 15.00 O HETATM 1077 O HOH 59 -18.606 -10.574 -14.566 1.00 8.96 O HETATM 1078 O HOH 60 -8.277 -3.894 -13.370 1.00 16.03 O HETATM 1079 O HOH 61 -13.526 -16.902 -19.072 1.00 17.25 O HETATM 1080 O HOH 62 -24.515 5.725 -11.546 1.00 22.53 O HETATM 1081 O HOH 63 -8.092 -5.608 -16.730 1.00 14.27 O HETATM 1082 O HOH 64 -5.731 -4.542 -6.165 1.00 29.42 O HETATM 1083 O HOH 65 -17.497 7.435 -4.574 1.00 12.88 O HETATM 1084 O HOH 66 -22.891 -2.718 -27.303 1.00 29.81 O HETATM 1085 O HOH 67 -16.075 -27.323 -16.693 1.00 22.05 O HETATM 1086 O HOH 68 -3.441 -14.658 -10.512 1.00 21.36 O HETATM 1087 O HOH 69 -10.547 -20.779 -15.906 1.00 13.23 O HETATM 1088 O HOH 70 2.710 -16.968 -4.409 1.00 24.14 O HETATM 1089 O HOH 71 -15.157 -2.984 -7.325 1.00 10.73 O HETATM 1090 O HOH 72 -3.607 -27.866 -13.265 1.00 32.39 O HETATM 1091 O HOH 73 -22.687 -12.491 -13.760 1.00 11.75 O HETATM 1092 O HOH 74 -16.847 -0.964 -8.068 1.00 9.18 O HETATM 1093 O HOH 75 -7.524 -9.347 3.439 1.00 24.91 O HETATM 1094 O HOH 76 -16.939 1.590 -9.139 1.00 10.45 O HETATM 1095 O HOH 77 -17.455 6.720 -9.591 1.00 26.04 O HETATM 1096 O HOH 78 -12.043 4.480 -14.633 1.00 25.84 O HETATM 1097 O HOH 79 -9.779 -6.706 -23.934 1.00 29.87 O HETATM 1098 O HOH 80 -22.178 -20.736 -3.599 1.00 23.20 O HETATM 1099 O HOH 81 -0.024 -20.744 -11.940 1.00 40.40 O HETATM 1100 O HOH 82 -27.460 -6.862 -3.748 1.00 27.71 O HETATM 1101 O HOH 83 -26.302 -12.701 -12.613 1.00 14.30 O HETATM 1102 O HOH 84 -6.575 -11.564 -20.072 1.00 35.20 O HETATM 1103 O HOH 85 -7.826 -10.650 -22.417 1.00 37.30 O HETATM 1104 O HOH 86 -9.386 1.573 -27.264 1.00 38.78 O HETATM 1105 O HOH 87 -18.873 -6.252 2.442 1.00 11.82 O HETATM 1106 O HOH 88 -24.094 -18.247 -7.659 1.00 20.00 O HETATM 1107 O HOH 89 -24.566 1.392 -25.173 1.00 28.29 O HETATM 1108 O HOH 90 -10.200 -29.862 -7.098 1.00 26.14 O HETATM 1109 O HOH 91 -20.083 -17.970 -10.286 1.00 15.52 O HETATM 1110 O HOH 92 -8.753 2.667 -13.311 1.00 31.95 O HETATM 1111 O HOH 93 -27.968 1.435 -2.644 1.00 28.26 O HETATM 1112 O HOH 94 -19.756 1.849 -17.442 1.00 16.43 O HETATM 1113 O HOH 95 -14.338 -2.131 -0.961 1.00 17.09 O HETATM 1114 O HOH 96 -27.448 -5.362 -6.136 1.00 20.69 O HETATM 1115 O HOH 97 -10.487 -14.280 -18.490 1.00 20.54 O HETATM 1116 O HOH 98 -22.333 -11.713 -17.807 1.00 15.17 O HETATM 1117 O HOH 99 -4.338 -15.102 12.532 1.00 30.44 O HETATM 1118 O HOH 100 -7.523 -3.309 -18.108 1.00 21.88 O HETATM 1119 O HOH 101 -21.534 3.026 -14.287 1.00 14.49 O HETATM 1120 O HOH 102 2.292 -15.362 -1.189 1.00 24.62 O HETATM 1121 O HOH 103 -21.177 -0.085 -2.254 1.00 11.36 O HETATM 1122 O HOH 104 -23.179 -5.302 -29.909 1.00 24.69 O HETATM 1123 O HOH 105 -24.276 -1.564 -24.045 1.00 24.37 O HETATM 1124 O HOH 106 -25.273 -11.736 1.006 1.00 10.56 O HETATM 1125 O HOH 107 -16.327 -11.373 5.087 1.00 36.33 O HETATM 1126 O HOH 108 -26.407 -12.040 -6.171 1.00 11.32 O HETATM 1127 O HOH 109 -9.615 -0.134 -10.365 1.00 19.93 O HETATM 1128 O HOH 110 -13.328 -0.138 -2.418 1.00 24.13 O HETATM 1129 O HOH 111 -16.071 0.473 -29.213 1.00 43.91 O HETATM 1130 O HOH 112 0.060 -11.397 -6.921 1.00 42.25 O HETATM 1131 O HOH 113 -19.187 -21.344 -10.925 1.00 36.37 O HETATM 1132 O HOH 114 -21.848 -1.691 -16.968 1.00 17.43 O HETATM 1133 O HOH 115 -15.598 -10.728 -17.515 1.00 11.04 O HETATM 1134 O HOH 116 -17.090 -4.572 -25.444 1.00 14.93 O HETATM 1135 O HOH 117 -12.550 -2.568 1.010 1.00 28.22 O HETATM 1136 O HOH 118 -15.577 4.367 -13.985 1.00 22.27 O HETATM 1137 O HOH 119 -16.059 -19.339 -17.173 1.00 23.36 O HETATM 1138 O HOH 120 -2.421 -16.252 -12.289 1.00 28.63 O HETATM 1139 O HOH 121 -2.708 -11.614 -4.430 1.00 26.35 O HETATM 1140 O HOH 122 -6.053 -24.628 -7.926 1.00 15.24 O HETATM 1141 O HOH 123 -24.735 -7.137 -31.018 1.00 18.66 O HETATM 1142 O HOH 124 -12.027 -4.238 -29.229 1.00 37.02 O HETATM 1143 O HOH 125 -21.082 -7.965 2.901 1.00 15.68 O HETATM 1144 O HOH 126 -17.755 -1.898 0.916 1.00 13.70 O HETATM 1145 O HOH 127 -17.951 -13.557 -22.732 1.00 25.00 O HETATM 1146 O HOH 128 -24.730 -0.833 -13.139 1.00 12.34 O HETATM 1147 O HOH 129 -27.179 -13.790 1.388 1.00 14.01 O HETATM 1148 O HOH 130 -20.137 7.516 -8.363 1.00 28.66 O HETATM 1149 O HOH 131 -18.530 -21.888 1.543 1.00 31.75 O HETATM 1150 O HOH 132 -17.913 -2.343 -27.630 1.00 33.08 O HETATM 1151 O HOH 133 -18.152 -26.878 -8.392 1.00 22.91 O HETATM 1152 O HOH 134 -12.415 4.601 -11.817 1.00 33.72 O HETATM 1153 O HOH 135 -26.940 1.101 -12.552 1.00 13.64 O HETATM 1154 O HOH 136 -1.030 -16.391 5.156 1.00 35.98 O HETATM 1155 O HOH 137 -20.730 2.037 -3.417 1.00 16.03 O HETATM 1156 O HOH 138 -20.941 4.432 -3.553 1.00 34.26 O HETATM 1157 O HOH 139 -15.614 -2.574 -26.553 1.00 23.19 O HETATM 1158 O HOH 140 2.210 -22.054 -2.155 1.00 24.77 O HETATM 1159 O HOH 141 -11.443 -24.746 -17.765 1.00 25.42 O HETATM 1160 O HOH 142 -4.465 -22.621 -14.987 1.00 28.38 O HETATM 1161 O HOH 143 -5.979 -10.893 -0.772 1.00 22.95 O HETATM 1162 O HOH 144 -23.728 -0.945 -21.803 1.00 36.36 O HETATM 1163 O HOH 145 -9.429 -23.287 -16.124 1.00 21.73 O HETATM 1164 O HOH 146 -19.914 3.996 -16.141 1.00 20.06 O HETATM 1165 O HOH 147 -8.689 -0.961 -3.356 1.00 37.69 O HETATM 1166 O HOH 148 -28.434 -12.800 -14.566 1.00 24.26 O HETATM 1167 O HOH 149 -10.138 2.793 -10.806 1.00 28.35 O HETATM 1168 O HOH 150 -2.935 -15.255 -14.502 1.00 40.08 O HETATM 1169 O HOH 151 -24.772 -3.857 -3.804 1.00 24.86 O HETATM 1170 O HOH 152 -20.462 -24.574 -5.170 1.00 33.59 O HETATM 1171 O HOH 153 -26.403 -7.407 -32.763 1.00 39.31 O HETATM 1172 O HOH 154 -27.030 4.144 -11.381 1.00 29.92 O HETATM 1173 O HOH 155 -3.907 -9.811 -11.551 1.00 22.65 O HETATM 1174 O HOH 156 -28.146 -14.164 -26.737 1.00 20.83 O HETATM 1175 O HOH 157 -0.301 -17.385 10.771 1.00 17.58 O HETATM 1176 O HOH 158 -0.038 -14.148 -8.248 1.00 38.42 O HETATM 1177 O HOH 159 -23.347 -13.037 2.517 1.00 15.94 O HETATM 1178 O HOH 160 -20.355 8.925 -5.516 1.00 30.00 O HETATM 1179 O HOH 161 -14.329 -4.027 -28.889 1.00 36.60 O HETATM 1180 O HOH 162 -3.880 -8.912 -14.265 1.00 29.47 O HETATM 1181 O HOH 163 -18.586 3.565 -3.044 1.00 16.08 O HETATM 1182 O HOH 164 -18.065 -9.631 6.016 1.00 43.00 O HETATM 1183 O HOH 165 -4.250 -10.939 -15.576 1.00 38.27 O HETATM 1184 O HOH 166 -6.752 -24.317 -15.074 1.00 20.52 O HETATM 1185 O HOH 167 -15.626 0.000 0.000 1.00 31.85 O HETATM 1186 O HOH 168 -10.418 -9.534 -23.507 1.00 31.62 O HETATM 1187 O HOH 169 -31.183 -12.526 -13.739 1.00 24.03 O HETATM 1188 O HOH 170 -24.718 -14.251 -14.335 1.00 17.01 O HETATM 1189 O HOH 171 -2.325 -30.194 -11.980 1.00 40.77 O HETATM 1190 O HOH 172 -25.216 -6.883 -0.020 1.00 19.55 O HETATM 1191 O HOH 173 -6.793 -0.562 -10.376 1.00 41.34 O HETATM 1192 O HOH 174 -13.033 -14.306 -19.189 1.00 16.33 O HETATM 1193 O HOH 175 -23.359 -6.699 2.902 1.00 40.08 O HETATM 1194 O HOH 176 -22.308 -11.408 4.593 1.00 33.62 O HETATM 1195 O HOH 177 -4.532 -3.361 -18.372 1.00 45.18 O HETATM 1196 O HOH 178 -5.843 -4.858 -12.665 1.00 20.73 O HETATM 1197 O HOH 179 -14.533 -8.956 -22.389 1.00 15.11 O HETATM 1198 O HOH 180 -7.575 -6.593 4.432 1.00 45.18 O HETATM 1199 O HOH 181 -27.704 -12.829 -17.347 1.00 29.29 O HETATM 1200 O HOH 182 -4.514 -7.158 -24.074 1.00 44.80 O HETATM 1201 O HOH 183 -21.109 -16.106 3.694 1.00 25.01 O HETATM 1202 O HOH 184 -8.481 -18.780 -16.042 1.00 17.68 O HETATM 1203 O HOH 185 -5.916 -15.831 -16.484 1.00 31.72 O HETATM 1204 O HOH 186 -25.368 -16.815 -13.300 1.00 24.27 O HETATM 1205 O HOH 187 -22.622 -18.935 -10.065 1.00 20.32 O HETATM 1206 O HOH 188 -19.524 0.000 0.000 1.00 12.00 O HETATM 1207 O HOH 189 -6.118 -19.981 -16.951 1.00 28.27 O HETATM 1208 O HOH 190 -16.112 -18.670 12.050 1.00 30.06 O HETATM 1209 O HOH 191 -2.973 -12.708 -13.944 1.00 41.61 O HETATM 1210 O HOH 192 -5.674 -12.753 -16.237 1.00 33.49 O HETATM 1211 O HOH 193 -11.306 -18.255 -19.690 1.00 25.58 O HETATM 1212 O HOH 194 -6.744 -8.609 0.539 1.00 35.43 O HETATM 1213 O HOH 195 -3.293 -8.302 -7.044 1.00 31.97 O HETATM 1214 O HOH 196 -13.958 -12.866 -21.239 1.00 17.18 O HETATM 1215 O HOH 197 -26.186 -5.522 -2.028 1.00 25.07 O HETATM 1216 O HOH 198 -25.402 2.499 -1.274 1.00 22.07 O HETATM 1217 O HOH 199 -5.955 -30.692 -16.033 1.00 15.99 O HETATM 1218 O HOH 200 -19.469 -1.246 -29.725 1.00 34.97 O HETATM 1219 O HOH 201 -12.663 -13.967 13.359 1.00 38.74 O HETATM 1220 O HOH 202 -11.792 -20.698 -18.248 1.00 25.70 O HETATM 1221 O HOH 203 -3.653 -10.589 -1.742 1.00 34.83 O HETATM 1222 O HOH 204 -9.232 2.951 -18.461 1.00 26.28 O HETATM 1223 O HOH 205 -23.675 4.765 -13.995 1.00 21.05 O HETATM 1224 O HOH 206 -23.783 0.229 -1.405 1.00 16.38 O HETATM 1225 O HOH 207 -9.532 -13.851 -21.100 1.00 39.09 O HETATM 1226 O HOH 208 -1.062 -13.403 -10.292 1.00 38.43 O HETATM 1227 O HOH 209 -18.209 -26.824 -11.233 1.00 38.10 O HETATM 1228 O HOH 210 0.171 -14.674 11.278 1.00 31.46 O HETATM 1229 O HOH 211 -25.619 -1.561 -2.392 1.00 30.28 O HETATM 1230 O HOH 212 -30.909 -13.509 -17.555 1.00 31.34 O HETATM 1231 O HOH 213 -9.084 -16.791 -18.094 1.00 23.11 O HETATM 1232 O HOH 214 -25.718 3.200 -14.598 1.00 39.15 O HETATM 1233 O HOH 215 -5.986 -26.134 -16.947 1.00 35.85 O HETATM 1234 O HOH 216 -24.667 4.929 -1.753 1.00 40.77 O HETATM 1235 O HOH 217 -23.276 6.580 -15.903 1.00 36.43 O HETATM 1236 O HOH 218 -1.182 -10.527 -11.197 1.00 37.00 O HETATM 1237 O HOH 219 -26.814 -15.636 -20.002 1.00 41.78 O HETATM 1238 C01 D A 9 -30.225 -2.919 -14.741 1.00 -0.04 C HETATM 1239 N02 D A 9 -28.906 -3.392 -14.341 1.00 0.23 N HETATM 1240 C03 D A 9 -28.542 -2.734 -13.095 1.00 -0.04 C HETATM 1241 H4 D A 9 -27.547 -3.078 -12.775 1.00 0.08 H HETATM 1242 H5 D A 9 -29.282 -2.982 -12.320 1.00 0.08 H HETATM 1243 H6 D A 9 -28.521 -1.645 -13.248 1.00 0.08 H HETATM 1244 C04 D A 9 -28.910 -4.842 -14.165 1.00 -0.01 C HETATM 1245 C05 D A 9 -29.131 -5.593 -15.476 1.00 0.10 C HETATM 1246 N06 D A 9 -28.845 -7.001 -15.297 1.00 -0.19 N HETATM 1247 C07 D A 9 -29.787 -8.032 -15.028 1.00 0.37 C HETATM 1248 O08 D A 9 -30.962 -7.907 -14.917 1.00 -0.37 O HETATM 1249 O09 D A 9 -29.092 -9.250 -14.913 1.00 -0.21 O HETATM 1250 C10 D A 9 -27.701 -8.984 -15.110 1.00 0.13 C HETATM 1251 C11 D A 9 -27.548 -7.621 -15.343 1.00 0.09 C HETATM 1252 C12 D A 9 -26.268 -7.107 -15.574 1.00 -0.03 C HETATM 1253 C13 D A 9 -25.198 -7.994 -15.595 1.00 0.04 C HETATM 1254 C25 D A 9 -25.357 -9.356 -15.312 1.00 -0.06 C HETATM 1255 C26 D A 9 -26.618 -9.868 -15.087 1.00 -0.05 C HETATM 1256 H21 D A 9 -26.765 -10.925 -14.898 1.00 0.05 H HETATM 1257 H20 D A 9 -24.491 -10.007 -15.270 1.00 0.04 H HETATM 1258 N14 D A 9 -23.862 -7.530 -15.717 1.00 -0.24 N HETATM 1259 C15 D A 9 -23.548 -6.189 -16.083 1.00 0.22 C HETATM 1260 C17 D A 9 -22.129 -5.801 -15.940 1.00 0.11 C HETATM 1261 C18 D A 9 -21.239 -6.640 -15.062 1.00 0.07 C HETATM 1262 N19 D A 9 -19.891 -6.188 -14.832 1.00 -0.28 N HETATM 1263 C20 D A 9 -18.998 -6.944 -14.000 1.00 0.02 C HETATM 1264 H15 D A 9 -18.024 -6.436 -13.951 1.00 0.05 H HETATM 1265 H16 D A 9 -18.865 -7.950 -14.424 1.00 0.05 H HETATM 1266 H17 D A 9 -19.421 -7.025 -12.988 1.00 0.05 H HETATM 1267 C21 D A 9 -19.421 -4.924 -15.388 1.00 0.18 C HETATM 1268 C23 D A 9 -20.335 -4.065 -16.233 1.00 0.00 C HETATM 1269 C24 D A 9 -21.706 -4.517 -16.490 1.00 -0.04 C HETATM 1270 H19 D A 9 -22.392 -3.909 -17.077 1.00 0.09 H HETATM 1271 H18 D A 9 -19.979 -3.122 -16.646 1.00 0.05 H HETATM 1272 O22 D A 9 -18.332 -4.564 -15.121 1.00 -0.40 O HETATM 1273 H13 D A 9 -21.175 -7.638 -15.521 1.00 0.06 H HETATM 1274 H14 D A 9 -21.729 -6.718 -14.080 1.00 0.06 H HETATM 1275 H12 D A 9 -21.824 -6.344 -16.847 1.00 0.08 H HETATM 1276 O16 D A 9 -24.340 -5.335 -16.305 1.00 -0.38 O HETATM 1277 H23 D A 9 -23.113 -8.168 -15.539 1.00 0.22 H HETATM 1278 H11 D A 9 -26.114 -6.046 -15.732 1.00 0.04 H HETATM 1279 H9 D A 9 -28.464 -5.182 -16.248 1.00 0.06 H HETATM 1280 H10 D A 9 -30.177 -5.472 -15.793 1.00 0.06 H HETATM 1281 H7 D A 9 -27.942 -5.148 -13.743 1.00 0.08 H HETATM 1282 H8 D A 9 -29.716 -5.110 -13.466 1.00 0.08 H HETATM 1283 H22 D A 9 -28.236 -3.151 -15.054 1.00 0.20 H HETATM 1284 H1 D A 9 -30.200 -1.827 -14.868 1.00 0.08 H HETATM 1285 H2 D A 9 -30.959 -3.181 -13.965 1.00 0.08 H HETATM 1286 H3 D A 9 -30.511 -3.392 -15.692 1.00 0.08 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1238 1239 1284 1285 1286 CONECT 1239 1238 1240 1244 1283 CONECT 1240 1239 1241 1242 1243 CONECT 1241 1240 CONECT 1242 1240 CONECT 1243 1240 CONECT 1244 1239 1245 1281 1282 CONECT 1245 1244 1246 1279 1280 CONECT 1246 1245 1247 1251 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 CONECT 1250 1249 1251 1255 CONECT 1251 1246 1250 1252 CONECT 1252 1251 1253 1278 CONECT 1253 1252 1254 1258 CONECT 1254 1253 1255 1257 CONECT 1255 1250 1254 1256 CONECT 1256 1255 CONECT 1257 1254 CONECT 1258 1253 1259 1277 CONECT 1259 1258 1260 1276 CONECT 1260 1259 1261 1269 1275 CONECT 1261 1260 1262 1273 1274 CONECT 1262 1261 1263 1267 CONECT 1263 1262 1264 1265 1266 CONECT 1264 1263 CONECT 1265 1263 CONECT 1266 1263 CONECT 1267 1262 1268 1272 CONECT 1268 1267 1269 1271 CONECT 1269 1260 1268 1270 CONECT 1270 1269 CONECT 1271 1268 CONECT 1272 1267 CONECT 1273 1261 CONECT 1274 1261 CONECT 1275 1260 CONECT 1276 1259 CONECT 1277 1258 CONECT 1278 1252 CONECT 1279 1245 CONECT 1280 1245 CONECT 1281 1244 CONECT 1282 1244 CONECT 1283 1239 CONECT 1284 1238 CONECT 1285 1238 CONECT 1286 1238 MASTER 0 0 0 0 0 0 0 0 1285 1 53 8 END
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Related entries of code: 6fgg
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Protein Sequence Similarity
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PDBbind
106aa, >4QBM_1|Chains... *
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PDBbind
105aa, >5MGJ_1|Chain... at 100%
5mgk
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PDBbind
105aa, >5MGK_1|Chain... at 100%
5mgl
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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%
6fgl
RCSB PDB
PDBbind
105aa, >6FGL_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
6fgg
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BAZ2A bromodomain
Ligand Name
D9B
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Kd=17uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ChemMedChem Vol. 13: pp. 1479-1487
Ligand Properties
Formula
C
1
8
H
2
3
N
4
O
4
Molecular Weight
359.400
Exact Mass
359.172
No. of atoms
49
No. of bonds
51
Polar Surface Area
88.99
LOGP Value
0.27 (
Computed with XLOGP3
)
-0.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
C[NH+](CCn1c(=O)oc2c1cc(cc2)NC(=O)[C@H]1C=CC(=O)N(C1)C)C
InChI String
InChI=1S/C18H22N4O4/c1-20(2)8-9-22-14-10-13(5-6-15(14)26-18(22)25)19-17(24)12-4-7-16(23)21(3)11-12/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,24)/p+1/t12-/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):
Q9UIF9
Entrez Gene ID
NCBI Entrez Gene ID:
11176
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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