Browse entries in the PDBbind-CN Database
HEADER 6FG6_COMPLEX COMPND 6FG6_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 D A 8Q 32 ATOM 1 N HIS A1796 27.572 -9.301 38.853 1.00 95.00 N ATOM 2 CA HIS A1796 28.952 -9.701 39.107 1.00 96.60 C ATOM 3 C HIS A1796 29.009 -10.936 40.001 1.00 93.87 C ATOM 4 O HIS A1796 29.675 -11.916 39.664 1.00 93.38 O ATOM 5 CB HIS A1796 29.748 -8.556 39.746 1.00 97.26 C ATOM 6 CG HIS A1796 31.191 -8.883 39.983 1.00101.17 C ATOM 7 ND1 HIS A1796 32.047 -9.253 38.967 1.00102.00 N ATOM 8 CD2 HIS A1796 31.929 -8.899 41.119 1.00100.05 C ATOM 9 CE1 HIS A1796 33.248 -9.483 39.466 1.00 96.56 C ATOM 10 NE2 HIS A1796 33.204 -9.275 40.770 1.00 96.77 N ATOM 11 HN3 HIS A1796 27.104 -9.081 39.756 1.00 0.00 H ATOM 12 HN2 HIS A1796 27.068 -10.079 38.380 1.00 0.00 H ATOM 13 HN1 HIS A1796 27.563 -8.459 38.243 1.00 0.00 H ATOM 14 N SER A1797 28.302 -10.885 41.136 1.00 93.82 N ATOM 15 CA SER A1797 28.328 -11.991 42.090 1.00 91.66 C ATOM 16 C SER A1797 27.808 -13.289 41.486 1.00 91.97 C ATOM 17 O SER A1797 28.136 -14.371 41.988 1.00 84.65 O ATOM 18 CB SER A1797 27.519 -11.632 43.342 1.00 90.43 C ATOM 19 OG SER A1797 26.128 -11.637 43.075 1.00 98.34 O ATOM 20 HG SER A1797 25.634 -11.402 43.900 1.00 0.00 H ATOM 21 H SER A1797 27.725 -10.045 41.342 1.00 0.00 H ATOM 22 N ASP A1798 26.993 -13.206 40.433 1.00 94.17 N ATOM 23 CA ASP A1798 26.615 -14.401 39.687 1.00 93.25 C ATOM 24 C ASP A1798 27.842 -15.069 39.084 1.00 85.96 C ATOM 25 O ASP A1798 28.093 -16.261 39.298 1.00 85.95 O ATOM 26 CB ASP A1798 25.613 -14.042 38.587 1.00 87.96 C ATOM 27 CG ASP A1798 24.175 -14.118 39.054 1.00 87.63 C ATOM 28 OD1 ASP A1798 23.943 -14.246 40.274 1.00 89.11 O ATOM 29 OD2 ASP A1798 23.272 -14.052 38.193 1.00 79.43 O ATOM 30 H ASP A1798 26.623 -12.279 40.141 1.00 0.00 H ATOM 31 N LEU A1799 28.632 -14.297 38.337 1.00 79.27 N ATOM 32 CA LEU A1799 29.750 -14.862 37.598 1.00 75.34 C ATOM 33 C LEU A1799 30.930 -15.220 38.493 1.00 72.84 C ATOM 34 O LEU A1799 31.742 -16.068 38.108 1.00 68.71 O ATOM 35 CB LEU A1799 30.174 -13.886 36.499 1.00 76.03 C ATOM 36 CG LEU A1799 29.195 -13.774 35.325 1.00 76.57 C ATOM 37 CD1 LEU A1799 29.692 -12.779 34.280 1.00 81.83 C ATOM 38 CD2 LEU A1799 28.966 -15.144 34.703 1.00 70.06 C ATOM 39 H LEU A1799 28.446 -13.275 38.282 1.00 0.00 H ATOM 40 N THR A1800 31.044 -14.611 39.676 1.00 73.82 N ATOM 41 CA THR A1800 32.177 -14.926 40.538 1.00 74.96 C ATOM 42 C THR A1800 32.023 -16.283 41.212 1.00 69.39 C ATOM 43 O THR A1800 33.023 -16.972 41.438 1.00 65.84 O ATOM 44 CB THR A1800 32.373 -13.832 41.591 1.00 75.33 C ATOM 45 OG1 THR A1800 31.104 -13.440 42.125 1.00 79.25 O ATOM 46 CG2 THR A1800 33.072 -12.620 40.988 1.00 72.35 C ATOM 47 HG1 THR A1800 30.533 -13.093 41.395 1.00 0.00 H ATOM 48 H THR A1800 30.331 -13.918 39.980 1.00 0.00 H ATOM 49 N PHE A1801 30.794 -16.693 41.528 1.00 72.49 N ATOM 50 CA PHE A1801 30.608 -18.021 42.099 1.00 68.84 C ATOM 51 C PHE A1801 30.747 -19.103 41.036 1.00 61.00 C ATOM 52 O PHE A1801 31.153 -20.228 41.351 1.00 59.06 O ATOM 53 CB PHE A1801 29.251 -18.119 42.791 1.00 69.54 C ATOM 54 CG PHE A1801 29.166 -19.226 43.811 1.00 83.97 C ATOM 55 CD1 PHE A1801 28.901 -20.531 43.425 1.00 81.30 C ATOM 56 CD2 PHE A1801 29.337 -18.956 45.163 1.00 82.81 C ATOM 57 CE1 PHE A1801 28.822 -21.549 44.365 1.00 79.65 C ATOM 58 CE2 PHE A1801 29.255 -19.971 46.106 1.00 73.31 C ATOM 59 CZ PHE A1801 28.997 -21.269 45.707 1.00 74.17 C ATOM 60 H PHE A1801 29.976 -16.071 41.368 1.00 0.00 H ATOM 61 N CYS A1802 30.410 -18.788 39.782 1.00 57.97 N ATOM 62 CA CYS A1802 30.726 -19.692 38.682 1.00 58.35 C ATOM 63 C CYS A1802 32.220 -19.973 38.634 1.00 54.01 C ATOM 64 O CYS A1802 32.641 -21.103 38.362 1.00 49.89 O ATOM 65 CB CYS A1802 30.243 -19.101 37.355 1.00 56.31 C ATOM 66 SG CYS A1802 28.446 -18.948 37.199 1.00 54.94 S ATOM 67 H CYS A1802 29.919 -17.892 39.589 1.00 0.00 H ATOM 68 N GLU A1803 33.036 -18.954 38.906 1.00 53.98 N ATOM 69 CA GLU A1803 34.470 -19.172 39.048 1.00 48.48 C ATOM 70 C GLU A1803 34.766 -20.076 40.238 1.00 47.64 C ATOM 71 O GLU A1803 35.606 -20.979 40.153 1.00 48.87 O ATOM 72 CB GLU A1803 35.190 -17.833 39.196 1.00 49.47 C ATOM 73 CG GLU A1803 36.672 -17.970 39.467 1.00 52.49 C ATOM 74 CD GLU A1803 37.386 -18.707 38.357 1.00 57.00 C ATOM 75 OE1 GLU A1803 37.245 -18.294 37.184 1.00 46.97 O ATOM 76 OE2 GLU A1803 38.074 -19.709 38.650 1.00 50.99 O ATOM 77 H GLU A1803 32.646 -17.996 39.018 1.00 0.00 H ATOM 78 N ILE A1804 34.076 -19.850 41.359 1.00 52.39 N ATOM 79 CA ILE A1804 34.304 -20.665 42.549 1.00 45.21 C ATOM 80 C ILE A1804 33.965 -22.123 42.269 1.00 49.90 C ATOM 81 O ILE A1804 34.711 -23.034 42.649 1.00 48.16 O ATOM 82 CB ILE A1804 33.495 -20.117 43.742 1.00 50.09 C ATOM 83 CG1 ILE A1804 33.902 -18.677 44.055 1.00 54.04 C ATOM 84 CG2 ILE A1804 33.691 -20.994 44.966 1.00 52.94 C ATOM 85 CD1 ILE A1804 33.181 -18.079 45.250 1.00 55.20 C ATOM 86 H ILE A1804 33.370 -19.087 41.385 1.00 0.00 H ATOM 87 N ILE A1805 32.850 -22.368 41.582 1.00 50.55 N ATOM 88 CA ILE A1805 32.390 -23.740 41.401 1.00 46.52 C ATOM 89 C ILE A1805 33.154 -24.444 40.282 1.00 45.60 C ATOM 90 O ILE A1805 33.386 -25.658 40.356 1.00 40.51 O ATOM 91 CB ILE A1805 30.868 -23.759 41.165 1.00 47.17 C ATOM 92 CG1 ILE A1805 30.345 -25.192 41.116 1.00 55.10 C ATOM 93 CG2 ILE A1805 30.498 -23.027 39.890 1.00 55.84 C ATOM 94 CD1 ILE A1805 28.839 -25.271 41.127 1.00 61.39 C ATOM 95 H ILE A1805 32.307 -21.580 41.174 1.00 0.00 H ATOM 96 N LEU A1806 33.570 -23.714 39.246 1.00 43.57 N ATOM 97 CA LEU A1806 34.375 -24.332 38.198 1.00 42.24 C ATOM 98 C LEU A1806 35.763 -24.680 38.714 1.00 43.86 C ATOM 99 O LEU A1806 36.315 -25.734 38.373 1.00 40.11 O ATOM 100 CB LEU A1806 34.467 -23.405 36.985 1.00 45.28 C ATOM 101 CG LEU A1806 35.319 -23.880 35.806 1.00 44.61 C ATOM 102 CD1 LEU A1806 34.946 -25.298 35.401 1.00 41.58 C ATOM 103 CD2 LEU A1806 35.165 -22.930 34.630 1.00 44.40 C ATOM 104 H LEU A1806 33.321 -22.706 39.185 1.00 0.00 H ATOM 105 N MET A1807 36.338 -23.806 39.543 1.00 45.57 N ATOM 106 CA MET A1807 37.635 -24.092 40.144 1.00 44.57 C ATOM 107 C MET A1807 37.573 -25.323 41.037 1.00 42.63 C ATOM 108 O MET A1807 38.480 -26.166 41.011 1.00 42.49 O ATOM 109 CB MET A1807 38.115 -22.879 40.937 1.00 47.56 C ATOM 110 CG MET A1807 39.016 -23.221 42.113 1.00 59.93 C ATOM 111 SD MET A1807 39.404 -21.770 43.104 1.00 71.57 S ATOM 112 CE MET A1807 37.758 -21.158 43.450 1.00 49.67 C ATOM 113 H MET A1807 35.855 -22.911 39.763 1.00 0.00 H ATOM 114 N GLU A1808 36.489 -25.462 41.754 1.00 39.54 N ATOM 115 CA GLU A1808 36.297 -26.563 42.633 1.00 43.35 C ATOM 116 C GLU A1808 36.071 -27.819 41.860 1.00 43.34 C ATOM 117 O GLU A1808 36.485 -28.838 42.255 1.00 45.70 O ATOM 118 CB GLU A1808 35.192 -26.283 43.616 1.00 42.83 C ATOM 119 CG GLU A1808 35.687 -25.638 44.866 1.00 45.76 C ATOM 120 CD GLU A1808 34.600 -25.078 45.713 1.00 59.04 C ATOM 121 OE1 GLU A1808 33.485 -25.097 45.269 1.00 63.05 O ATOM 122 OE2 GLU A1808 34.848 -24.624 46.824 1.00 59.76 O ATOM 123 H GLU A1808 35.741 -24.743 41.679 1.00 0.00 H ATOM 124 N MET A1809 35.399 -27.729 40.750 1.00 39.63 N ATOM 125 CA MET A1809 35.229 -28.873 39.862 1.00 36.64 C ATOM 126 C MET A1809 36.533 -29.220 39.158 1.00 38.31 C ATOM 127 O MET A1809 36.835 -30.400 38.956 1.00 35.35 O ATOM 128 CB MET A1809 34.122 -28.598 38.845 1.00 38.61 C ATOM 129 CG MET A1809 32.718 -28.752 39.409 1.00 36.85 C ATOM 130 SD MET A1809 31.434 -28.822 38.140 1.00 43.34 S ATOM 131 CE MET A1809 31.511 -27.158 37.478 1.00 35.36 C ATOM 132 H MET A1809 34.972 -26.817 40.489 1.00 0.00 H ATOM 133 N GLU A1810 37.326 -28.210 38.791 1.00 39.46 N ATOM 134 CA GLU A1810 38.593 -28.475 38.113 1.00 40.90 C ATOM 135 C GLU A1810 39.556 -29.246 39.009 1.00 39.47 C ATOM 136 O GLU A1810 40.309 -30.104 38.531 1.00 33.11 O ATOM 137 CB GLU A1810 39.228 -27.162 37.656 1.00 41.45 C ATOM 138 CG GLU A1810 38.649 -26.581 36.376 1.00 41.22 C ATOM 139 CD GLU A1810 39.015 -25.120 36.199 1.00 44.65 C ATOM 140 OE1 GLU A1810 39.148 -24.419 37.223 1.00 48.13 O ATOM 141 OE2 GLU A1810 39.173 -24.673 35.044 1.00 44.11 O ATOM 142 H GLU A1810 37.040 -27.230 38.989 1.00 0.00 H ATOM 143 N SER A1811 39.544 -28.957 40.309 1.00 41.18 N ATOM 144 CA SER A1811 40.464 -29.563 41.262 1.00 43.47 C ATOM 145 C SER A1811 39.874 -30.766 41.989 1.00 40.81 C ATOM 146 O SER A1811 40.539 -31.329 42.864 1.00 40.90 O ATOM 147 CB SER A1811 40.914 -28.513 42.281 1.00 38.34 C ATOM 148 OG SER A1811 39.796 -27.846 42.839 1.00 46.29 O ATOM 149 HG SER A1811 39.288 -27.396 42.118 1.00 0.00 H ATOM 150 H SER A1811 38.847 -28.269 40.659 1.00 0.00 H ATOM 151 N HIS A1812 38.657 -31.176 41.648 1.00 38.54 N ATOM 152 CA HIS A1812 38.020 -32.296 42.326 1.00 34.80 C ATOM 153 C HIS A1812 38.705 -33.611 41.960 1.00 33.55 C ATOM 154 O HIS A1812 39.227 -33.779 40.856 1.00 42.69 O ATOM 155 CB HIS A1812 36.536 -32.350 41.961 1.00 37.13 C ATOM 156 CG HIS A1812 35.719 -33.253 42.833 1.00 29.95 C ATOM 157 ND1 HIS A1812 35.860 -34.624 42.827 1.00 33.54 N ATOM 158 CD2 HIS A1812 34.725 -32.983 43.712 1.00 31.48 C ATOM 159 CE1 HIS A1812 35.004 -35.157 43.680 1.00 34.83 C ATOM 160 NE2 HIS A1812 34.301 -34.183 44.229 1.00 39.61 N ATOM 161 H HIS A1812 38.150 -30.688 40.882 1.00 0.00 H ATOM 162 N ASP A1813 38.692 -34.551 42.909 1.00 33.38 N ATOM 163 CA ASP A1813 39.346 -35.842 42.698 1.00 38.40 C ATOM 164 C ASP A1813 38.784 -36.570 41.483 1.00 39.38 C ATOM 165 O ASP A1813 39.531 -37.214 40.738 1.00 43.20 O ATOM 166 CB ASP A1813 39.202 -36.713 43.947 1.00 42.83 C ATOM 167 CG ASP A1813 40.168 -36.323 45.046 1.00 49.27 C ATOM 168 OD1 ASP A1813 40.876 -35.307 44.884 1.00 49.75 O ATOM 169 OD2 ASP A1813 40.226 -37.039 46.068 1.00 47.06 O ATOM 170 H ASP A1813 38.210 -34.362 43.811 1.00 0.00 H ATOM 171 N ALA A1814 37.474 -36.481 41.267 1.00 38.46 N ATOM 172 CA ALA A1814 36.792 -37.214 40.209 1.00 36.04 C ATOM 173 C ALA A1814 36.662 -36.421 38.913 1.00 36.76 C ATOM 174 O ALA A1814 35.864 -36.799 38.049 1.00 29.85 O ATOM 175 CB ALA A1814 35.403 -37.646 40.687 1.00 32.24 C ATOM 176 H ALA A1814 36.911 -35.859 41.882 1.00 0.00 H ATOM 177 N ALA A1815 37.427 -35.341 38.755 1.00 37.71 N ATOM 178 CA ALA A1815 37.307 -34.473 37.590 1.00 34.50 C ATOM 179 C ALA A1815 38.128 -34.943 36.402 1.00 35.48 C ATOM 180 O ALA A1815 38.017 -34.347 35.324 1.00 39.63 O ATOM 181 CB ALA A1815 37.733 -33.053 37.949 1.00 33.40 C ATOM 182 H ALA A1815 38.131 -35.111 39.485 1.00 0.00 H ATOM 183 N TRP A1816 38.921 -36.000 36.565 1.00 36.40 N ATOM 184 CA TRP A1816 39.841 -36.407 35.507 1.00 40.91 C ATOM 185 C TRP A1816 39.194 -36.705 34.151 1.00 41.82 C ATOM 186 O TRP A1816 39.884 -36.497 33.135 1.00 38.70 O ATOM 187 CB TRP A1816 40.667 -37.613 35.987 1.00 30.82 C ATOM 188 CG TRP A1816 39.844 -38.801 36.332 1.00 35.95 C ATOM 189 CD1 TRP A1816 39.372 -39.141 37.565 1.00 38.37 C ATOM 190 CD2 TRP A1816 39.385 -39.813 35.430 1.00 38.51 C ATOM 191 NE1 TRP A1816 38.644 -40.303 37.486 1.00 37.65 N ATOM 192 CE2 TRP A1816 38.633 -40.731 36.187 1.00 38.46 C ATOM 193 CE3 TRP A1816 39.525 -40.023 34.056 1.00 40.85 C ATOM 194 CZ2 TRP A1816 38.024 -41.843 35.613 1.00 43.47 C ATOM 195 CZ3 TRP A1816 38.925 -41.130 33.490 1.00 42.90 C ATOM 196 CH2 TRP A1816 38.183 -42.026 34.267 1.00 47.39 C ATOM 197 HE1 TRP A1816 38.177 -40.780 38.284 1.00 0.00 H ATOM 198 H TRP A1816 38.885 -36.540 37.453 1.00 0.00 H ATOM 199 N PRO A1817 37.943 -37.176 34.028 1.00 40.72 N ATOM 200 CA PRO A1817 37.397 -37.417 32.681 1.00 33.15 C ATOM 201 C PRO A1817 36.889 -36.173 31.976 1.00 36.94 C ATOM 202 O PRO A1817 36.555 -36.253 30.784 1.00 40.31 O ATOM 203 CB PRO A1817 36.235 -38.398 32.931 1.00 37.14 C ATOM 204 CG PRO A1817 36.320 -38.784 34.382 1.00 38.46 C ATOM 205 CD PRO A1817 36.997 -37.647 35.058 1.00 35.04 C ATOM 206 N PHE A1818 36.828 -35.030 32.654 1.00 34.65 N ATOM 207 CA PHE A1818 36.163 -33.853 32.112 1.00 35.64 C ATOM 208 C PHE A1818 37.082 -32.643 32.027 1.00 34.53 C ATOM 209 O PHE A1818 36.609 -31.539 31.730 1.00 38.08 O ATOM 210 CB PHE A1818 34.933 -33.512 32.956 1.00 33.47 C ATOM 211 CG PHE A1818 34.116 -34.714 33.342 1.00 33.57 C ATOM 212 CD1 PHE A1818 33.321 -35.358 32.407 1.00 34.97 C ATOM 213 CD2 PHE A1818 34.148 -35.203 34.637 1.00 31.58 C ATOM 214 CE1 PHE A1818 32.571 -36.465 32.756 1.00 34.76 C ATOM 215 CE2 PHE A1818 33.399 -36.309 34.994 1.00 31.91 C ATOM 216 CZ PHE A1818 32.611 -36.940 34.051 1.00 37.14 C ATOM 217 H PHE A1818 37.267 -34.975 33.595 1.00 0.00 H ATOM 218 N LEU A1819 38.380 -32.816 32.286 1.00 39.11 N ATOM 219 CA LEU A1819 39.295 -31.679 32.241 1.00 39.55 C ATOM 220 C LEU A1819 39.538 -31.215 30.811 1.00 48.29 C ATOM 221 O LEU A1819 39.738 -30.014 30.568 1.00 47.07 O ATOM 222 CB LEU A1819 40.621 -32.039 32.903 1.00 37.79 C ATOM 223 CG LEU A1819 40.536 -32.386 34.391 1.00 43.82 C ATOM 224 CD1 LEU A1819 41.888 -32.855 34.899 1.00 36.11 C ATOM 225 CD2 LEU A1819 40.047 -31.178 35.173 1.00 31.52 C ATOM 226 H LEU A1819 38.740 -33.763 32.520 1.00 0.00 H ATOM 227 N GLU A1820 39.520 -32.141 29.860 1.00 43.99 N ATOM 228 CA GLU A1820 39.849 -31.846 28.477 1.00 50.12 C ATOM 229 C GLU A1820 38.772 -32.430 27.576 1.00 48.41 C ATOM 230 O GLU A1820 38.100 -33.411 27.937 1.00 45.91 O ATOM 231 CB GLU A1820 41.225 -32.421 28.100 1.00 49.12 C ATOM 232 CG GLU A1820 42.413 -31.812 28.848 1.00 49.40 C ATOM 233 CD GLU A1820 42.597 -30.322 28.597 1.00 56.04 C ATOM 234 OE1 GLU A1820 42.418 -29.898 27.444 1.00 61.82 O ATOM 235 OE2 GLU A1820 42.908 -29.582 29.555 1.00 56.08 O ATOM 236 H GLU A1820 39.260 -33.115 30.115 1.00 0.00 H ATOM 237 N PRO A1821 38.583 -31.853 26.392 1.00 42.90 N ATOM 238 CA PRO A1821 37.622 -32.420 25.442 1.00 38.50 C ATOM 239 C PRO A1821 37.946 -33.876 25.129 1.00 37.36 C ATOM 240 O PRO A1821 39.113 -34.268 25.020 1.00 45.11 O ATOM 241 CB PRO A1821 37.777 -31.532 24.202 1.00 41.87 C ATOM 242 CG PRO A1821 38.303 -30.238 24.729 1.00 44.11 C ATOM 243 CD PRO A1821 39.180 -30.602 25.892 1.00 48.27 C ATOM 244 N VAL A1822 36.894 -34.688 25.005 1.00 34.25 N ATOM 245 CA VAL A1822 37.078 -36.060 24.557 1.00 37.98 C ATOM 246 C VAL A1822 37.739 -36.056 23.188 1.00 45.10 C ATOM 247 O VAL A1822 37.390 -35.256 22.315 1.00 39.61 O ATOM 248 CB VAL A1822 35.725 -36.794 24.529 1.00 40.59 C ATOM 249 CG1 VAL A1822 35.848 -38.118 23.785 1.00 34.28 C ATOM 250 CG2 VAL A1822 35.202 -37.001 25.949 1.00 37.80 C ATOM 251 H VAL A1822 35.940 -34.339 25.229 1.00 0.00 H ATOM 252 N ASN A1823 38.724 -36.939 23.007 1.00 46.46 N ATOM 253 CA ASN A1823 39.389 -37.108 21.723 1.00 42.16 C ATOM 254 C ASN A1823 38.645 -38.182 20.937 1.00 39.95 C ATOM 255 O ASN A1823 38.768 -39.374 21.259 1.00 39.87 O ATOM 256 CB ASN A1823 40.858 -37.495 21.920 1.00 45.43 C ATOM 257 CG ASN A1823 41.653 -37.471 20.623 1.00 50.38 C ATOM 258 OD1 ASN A1823 41.103 -37.652 19.535 1.00 49.47 O ATOM 259 ND2 ASN A1823 42.958 -37.253 20.737 1.00 53.28 N ATOM 260 HD22 ASN A1823 43.380 -37.105 21.676 1.00 0.00 H ATOM 261 HD21 ASN A1823 43.558 -37.230 19.888 1.00 0.00 H ATOM 262 H ASN A1823 39.026 -37.526 23.810 1.00 0.00 H ATOM 263 N PRO A1824 37.862 -37.823 19.917 1.00 40.96 N ATOM 264 CA PRO A1824 37.081 -38.843 19.196 1.00 39.94 C ATOM 265 C PRO A1824 37.936 -39.845 18.445 1.00 41.27 C ATOM 266 O PRO A1824 37.469 -40.960 18.182 1.00 39.58 O ATOM 267 CB PRO A1824 36.217 -38.010 18.240 1.00 40.50 C ATOM 268 CG PRO A1824 36.977 -36.723 18.069 1.00 39.21 C ATOM 269 CD PRO A1824 37.614 -36.466 19.402 1.00 41.47 C ATOM 270 N ARG A1825 39.173 -39.486 18.093 1.00 42.07 N ATOM 271 CA ARG A1825 40.079 -40.455 17.486 1.00 42.82 C ATOM 272 C ARG A1825 40.353 -41.621 18.422 1.00 42.89 C ATOM 273 O ARG A1825 40.582 -42.747 17.965 1.00 48.43 O ATOM 274 CB ARG A1825 41.395 -39.779 17.100 1.00 46.07 C ATOM 275 CG ARG A1825 41.296 -38.778 15.959 1.00 37.90 C ATOM 276 CD ARG A1825 42.583 -37.978 15.855 1.00 39.93 C ATOM 277 NE ARG A1825 42.590 -37.083 14.703 1.00 46.03 N ATOM 278 CZ ARG A1825 43.546 -36.192 14.456 1.00 44.73 C ATOM 279 NH1 ARG A1825 44.574 -36.073 15.284 1.00 41.02 N ATOM 280 NH2 ARG A1825 43.474 -35.418 13.380 1.00 45.53 N ATOM 281 HE ARG A1825 41.797 -37.146 14.033 1.00 0.00 H ATOM 282 HH12 ARG A1825 45.321 -35.376 15.089 1.00 0.00 H ATOM 283 HH11 ARG A1825 44.634 -36.677 16.129 1.00 0.00 H ATOM 284 HH22 ARG A1825 44.223 -34.722 13.189 1.00 0.00 H ATOM 285 HH21 ARG A1825 42.669 -35.508 12.728 1.00 0.00 H ATOM 286 H ARG A1825 39.493 -38.509 18.253 1.00 0.00 H ATOM 287 N LEU A1826 40.330 -41.373 19.730 1.00 50.83 N ATOM 288 CA LEU A1826 40.654 -42.373 20.738 1.00 42.57 C ATOM 289 C LEU A1826 39.432 -43.066 21.315 1.00 42.74 C ATOM 290 O LEU A1826 39.523 -44.232 21.712 1.00 45.01 O ATOM 291 CB LEU A1826 41.443 -41.720 21.876 1.00 45.38 C ATOM 292 CG LEU A1826 42.731 -41.026 21.430 1.00 47.46 C ATOM 293 CD1 LEU A1826 43.306 -40.160 22.542 1.00 53.83 C ATOM 294 CD2 LEU A1826 43.734 -42.071 20.980 1.00 46.65 C ATOM 295 H LEU A1826 40.068 -40.418 20.048 1.00 0.00 H ATOM 296 N VAL A1827 38.296 -42.384 21.362 1.00 46.93 N ATOM 297 CA VAL A1827 37.074 -42.909 21.957 1.00 45.57 C ATOM 298 C VAL A1827 36.154 -43.315 20.811 1.00 46.78 C ATOM 299 O VAL A1827 35.554 -42.464 20.147 1.00 47.00 O ATOM 300 CB VAL A1827 36.412 -41.883 22.882 1.00 38.35 C ATOM 301 CG1 VAL A1827 35.224 -42.493 23.571 1.00 40.70 C ATOM 302 CG2 VAL A1827 37.422 -41.375 23.905 1.00 44.88 C ATOM 303 H VAL A1827 38.276 -41.427 20.954 1.00 0.00 H ATOM 304 N SER A1828 36.035 -44.620 20.579 1.00 44.41 N ATOM 305 CA SER A1828 35.240 -45.120 19.464 1.00 42.84 C ATOM 306 C SER A1828 33.760 -44.796 19.655 1.00 47.40 C ATOM 307 O SER A1828 33.179 -45.087 20.705 1.00 49.84 O ATOM 308 CB SER A1828 35.439 -46.628 19.324 1.00 48.99 C ATOM 309 OG SER A1828 34.607 -47.162 18.309 1.00 70.09 O ATOM 310 HG SER A1828 34.757 -48.138 18.241 1.00 0.00 H ATOM 311 H SER A1828 36.518 -45.296 21.205 1.00 0.00 H ATOM 312 N GLY A1829 33.148 -44.194 18.633 1.00 46.23 N ATOM 313 CA GLY A1829 31.723 -43.926 18.630 1.00 38.65 C ATOM 314 C GLY A1829 31.300 -42.617 19.262 1.00 38.18 C ATOM 315 O GLY A1829 30.102 -42.303 19.253 1.00 37.49 O ATOM 316 H GLY A1829 33.714 -43.907 17.809 1.00 0.00 H ATOM 317 N TYR A1830 32.241 -41.834 19.794 1.00 41.97 N ATOM 318 CA TYR A1830 31.875 -40.623 20.521 1.00 43.47 C ATOM 319 C TYR A1830 31.360 -39.549 19.574 1.00 38.46 C ATOM 320 O TYR A1830 30.377 -38.861 19.875 1.00 38.00 O ATOM 321 CB TYR A1830 33.070 -40.101 21.317 1.00 36.62 C ATOM 322 CG TYR A1830 32.670 -39.115 22.386 1.00 36.54 C ATOM 323 CD1 TYR A1830 32.216 -39.558 23.618 1.00 39.78 C ATOM 324 CD2 TYR A1830 32.732 -37.744 22.162 1.00 32.32 C ATOM 325 CE1 TYR A1830 31.840 -38.668 24.605 1.00 30.85 C ATOM 326 CE2 TYR A1830 32.357 -36.842 23.146 1.00 32.33 C ATOM 327 CZ TYR A1830 31.911 -37.313 24.366 1.00 36.08 C ATOM 328 OH TYR A1830 31.534 -36.429 25.352 1.00 33.40 O ATOM 329 HH TYR A1830 31.244 -36.934 26.153 1.00 0.00 H ATOM 330 H TYR A1830 33.244 -42.089 19.689 1.00 0.00 H ATOM 331 N ARG A1831 32.026 -39.384 18.429 1.00 43.71 N ATOM 332 CA ARG A1831 31.591 -38.409 17.435 1.00 41.36 C ATOM 333 C ARG A1831 30.141 -38.652 17.035 1.00 37.89 C ATOM 334 O ARG A1831 29.347 -37.713 16.917 1.00 37.12 O ATOM 335 CB ARG A1831 32.511 -38.479 16.214 1.00 52.31 C ATOM 336 CG ARG A1831 32.345 -37.328 15.241 1.00 55.77 C ATOM 337 CD ARG A1831 33.066 -37.593 13.928 1.00 54.42 C ATOM 338 NE ARG A1831 34.480 -37.886 14.126 1.00 57.20 N ATOM 339 CZ ARG A1831 35.424 -36.960 14.259 1.00 60.28 C ATOM 340 NH1 ARG A1831 35.105 -35.673 14.221 1.00 60.11 N ATOM 341 NH2 ARG A1831 36.688 -37.322 14.434 1.00 61.60 N ATOM 342 HE ARG A1831 34.769 -38.884 14.166 1.00 0.00 H ATOM 343 HH12 ARG A1831 35.846 -34.950 14.325 1.00 0.00 H ATOM 344 HH11 ARG A1831 34.114 -35.387 14.087 1.00 0.00 H ATOM 345 HH22 ARG A1831 37.427 -36.597 14.538 1.00 0.00 H ATOM 346 HH21 ARG A1831 36.940 -38.330 14.467 1.00 0.00 H ATOM 347 H ARG A1831 32.871 -39.961 18.242 1.00 0.00 H ATOM 348 N ARG A1832 29.776 -39.921 16.855 1.00 34.91 N ATOM 349 CA ARG A1832 28.433 -40.261 16.398 1.00 35.77 C ATOM 350 C ARG A1832 27.389 -40.051 17.492 1.00 36.60 C ATOM 351 O ARG A1832 26.274 -39.595 17.213 1.00 35.38 O ATOM 352 CB ARG A1832 28.425 -41.705 15.899 1.00 34.26 C ATOM 353 CG ARG A1832 27.051 -42.299 15.693 1.00 39.01 C ATOM 354 CD ARG A1832 27.148 -43.711 15.146 1.00 36.71 C ATOM 355 NE ARG A1832 28.029 -44.549 15.953 1.00 52.73 N ATOM 356 CZ ARG A1832 27.671 -45.153 17.083 1.00 52.12 C ATOM 357 NH1 ARG A1832 26.439 -45.015 17.560 1.00 42.74 N ATOM 358 NH2 ARG A1832 28.551 -45.896 17.739 1.00 45.52 N ATOM 359 HE ARG A1832 29.005 -44.684 15.621 1.00 0.00 H ATOM 360 HH12 ARG A1832 26.167 -45.491 18.444 1.00 0.00 H ATOM 361 HH11 ARG A1832 25.746 -44.431 17.049 1.00 0.00 H ATOM 362 HH22 ARG A1832 28.275 -46.370 18.623 1.00 0.00 H ATOM 363 HH21 ARG A1832 29.517 -46.005 17.370 1.00 0.00 H ATOM 364 H ARG A1832 30.460 -40.682 17.043 1.00 0.00 H ATOM 365 N ILE A1833 27.736 -40.357 18.743 1.00 39.24 N ATOM 366 CA ILE A1833 26.743 -40.378 19.814 1.00 37.02 C ATOM 367 C ILE A1833 26.555 -38.994 20.433 1.00 38.99 C ATOM 368 O ILE A1833 25.424 -38.573 20.703 1.00 42.82 O ATOM 369 CB ILE A1833 27.141 -41.433 20.864 1.00 37.46 C ATOM 370 CG1 ILE A1833 26.951 -42.835 20.282 1.00 33.52 C ATOM 371 CG2 ILE A1833 26.336 -41.262 22.140 1.00 38.00 C ATOM 372 CD1 ILE A1833 27.409 -43.961 21.183 1.00 26.87 C ATOM 373 H ILE A1833 28.728 -40.584 18.959 1.00 0.00 H ATOM 374 N ILE A1834 27.639 -38.261 20.666 1.00 39.54 N ATOM 375 CA ILE A1834 27.588 -36.986 21.377 1.00 42.80 C ATOM 376 C ILE A1834 27.601 -35.857 20.352 1.00 41.96 C ATOM 377 O ILE A1834 28.598 -35.644 19.654 1.00 46.37 O ATOM 378 CB ILE A1834 28.739 -36.858 22.383 1.00 38.15 C ATOM 379 CG1 ILE A1834 28.593 -37.931 23.462 1.00 34.84 C ATOM 380 CG2 ILE A1834 28.747 -35.480 23.016 1.00 31.68 C ATOM 381 CD1 ILE A1834 27.268 -37.837 24.187 1.00 36.27 C ATOM 382 H ILE A1834 28.559 -38.609 20.329 1.00 0.00 H ATOM 383 N LYS A1835 26.491 -35.119 20.280 1.00 38.62 N ATOM 384 CA LYS A1835 26.339 -34.051 19.297 1.00 41.64 C ATOM 385 C LYS A1835 27.002 -32.760 19.752 1.00 42.45 C ATOM 386 O LYS A1835 27.603 -32.047 18.941 1.00 50.04 O ATOM 387 CB LYS A1835 24.857 -33.788 19.028 1.00 45.06 C ATOM 388 CG LYS A1835 24.081 -35.018 18.609 1.00 59.77 C ATOM 389 CD LYS A1835 22.742 -35.108 19.337 1.00 70.29 C ATOM 390 CE LYS A1835 22.160 -36.518 19.254 1.00 64.78 C ATOM 391 NZ LYS A1835 21.203 -36.783 20.367 1.00 58.63 N ATOM 392 HZ1 LYS A1835 21.696 -36.684 21.277 1.00 0.00 H ATOM 393 HZ2 LYS A1835 20.420 -36.100 20.319 1.00 0.00 H ATOM 394 HZ3 LYS A1835 20.828 -37.749 20.278 1.00 0.00 H ATOM 395 H LYS A1835 25.713 -35.310 20.943 1.00 0.00 H ATOM 396 N ASN A1836 26.881 -32.429 21.032 1.00 41.22 N ATOM 397 CA ASN A1836 27.359 -31.160 21.577 1.00 41.60 C ATOM 398 C ASN A1836 28.264 -31.457 22.764 1.00 43.48 C ATOM 399 O ASN A1836 27.850 -31.321 23.923 1.00 35.74 O ATOM 400 CB ASN A1836 26.190 -30.260 21.982 1.00 42.77 C ATOM 401 CG ASN A1836 25.219 -30.017 20.839 1.00 51.64 C ATOM 402 OD1 ASN A1836 24.004 -30.153 20.998 1.00 48.94 O ATOM 403 ND2 ASN A1836 25.756 -29.653 19.676 1.00 49.24 N ATOM 404 HD22 ASN A1836 26.787 -29.551 19.589 1.00 0.00 H ATOM 405 HD21 ASN A1836 25.144 -29.471 18.855 1.00 0.00 H ATOM 406 H ASN A1836 26.424 -33.105 21.677 1.00 0.00 H ATOM 407 N PRO A1837 29.510 -31.862 22.514 1.00 42.85 N ATOM 408 CA PRO A1837 30.433 -32.135 23.621 1.00 37.31 C ATOM 409 C PRO A1837 30.737 -30.884 24.432 1.00 36.33 C ATOM 410 O PRO A1837 30.642 -29.752 23.952 1.00 40.09 O ATOM 411 CB PRO A1837 31.693 -32.656 22.917 1.00 37.15 C ATOM 412 CG PRO A1837 31.604 -32.097 21.533 1.00 41.15 C ATOM 413 CD PRO A1837 30.133 -32.124 21.207 1.00 36.69 C ATOM 414 N MET A1838 31.117 -31.110 25.687 1.00 39.57 N ATOM 415 CA MET A1838 31.436 -30.029 26.607 1.00 37.68 C ATOM 416 C MET A1838 32.363 -30.573 27.686 1.00 38.01 C ATOM 417 O MET A1838 32.266 -31.740 28.075 1.00 41.57 O ATOM 418 CB MET A1838 30.164 -29.430 27.224 1.00 32.77 C ATOM 419 CG MET A1838 30.400 -28.214 28.103 1.00 37.92 C ATOM 420 SD MET A1838 31.444 -26.968 27.321 1.00 42.74 S ATOM 421 CE MET A1838 30.376 -26.348 26.025 1.00 40.91 C ATOM 422 H MET A1838 31.188 -32.092 26.021 1.00 0.00 H ATOM 423 N ASP A1839 33.277 -29.720 28.144 1.00 35.10 N ATOM 424 CA ASP A1839 34.234 -30.095 29.176 1.00 37.95 C ATOM 425 C ASP A1839 34.587 -28.858 29.989 1.00 44.02 C ATOM 426 O ASP A1839 34.169 -27.741 29.676 1.00 38.56 O ATOM 427 CB ASP A1839 35.498 -30.713 28.579 1.00 41.60 C ATOM 428 CG ASP A1839 36.226 -29.753 27.673 1.00 49.69 C ATOM 429 OD1 ASP A1839 35.739 -29.521 26.547 1.00 47.01 O ATOM 430 OD2 ASP A1839 37.265 -29.199 28.097 1.00 54.28 O ATOM 431 H ASP A1839 33.309 -28.757 27.753 1.00 0.00 H ATOM 432 N PHE A1840 35.397 -29.077 31.029 1.00 39.69 N ATOM 433 CA PHE A1840 35.717 -28.005 31.966 1.00 44.07 C ATOM 434 C PHE A1840 36.653 -26.973 31.345 1.00 45.42 C ATOM 435 O PHE A1840 36.512 -25.770 31.599 1.00 43.56 O ATOM 436 CB PHE A1840 36.322 -28.594 33.242 1.00 40.49 C ATOM 437 CG PHE A1840 35.348 -29.405 34.056 1.00 36.49 C ATOM 438 CD1 PHE A1840 33.984 -29.226 33.902 1.00 36.33 C ATOM 439 CD2 PHE A1840 35.795 -30.343 34.974 1.00 36.99 C ATOM 440 CE1 PHE A1840 33.083 -29.966 34.640 1.00 33.59 C ATOM 441 CE2 PHE A1840 34.896 -31.085 35.721 1.00 43.19 C ATOM 442 CZ PHE A1840 33.537 -30.896 35.553 1.00 40.43 C ATOM 443 H PHE A1840 35.804 -30.023 31.172 1.00 0.00 H ATOM 444 N SER A1841 37.616 -27.416 30.531 1.00 47.43 N ATOM 445 CA SER A1841 38.514 -26.464 29.885 1.00 50.22 C ATOM 446 C SER A1841 37.758 -25.565 28.913 1.00 49.09 C ATOM 447 O SER A1841 38.043 -24.365 28.820 1.00 49.95 O ATOM 448 CB SER A1841 39.640 -27.198 29.161 1.00 44.59 C ATOM 449 OG SER A1841 39.156 -27.839 27.995 1.00 53.51 O ATOM 450 HG SER A1841 38.457 -28.494 28.246 1.00 0.00 H ATOM 451 H SER A1841 37.725 -28.436 30.358 1.00 0.00 H ATOM 452 N THR A1842 36.795 -26.127 28.179 1.00 42.03 N ATOM 453 CA THR A1842 35.985 -25.308 27.284 1.00 42.81 C ATOM 454 C THR A1842 35.146 -24.308 28.072 1.00 45.61 C ATOM 455 O THR A1842 34.986 -23.154 27.656 1.00 50.84 O ATOM 456 CB THR A1842 35.099 -26.204 26.419 1.00 42.23 C ATOM 457 OG1 THR A1842 35.909 -27.208 25.796 1.00 41.76 O ATOM 458 CG2 THR A1842 34.397 -25.388 25.339 1.00 30.67 C ATOM 459 HG1 THR A1842 36.352 -27.753 26.494 1.00 0.00 H ATOM 460 H THR A1842 36.622 -27.150 28.245 1.00 0.00 H ATOM 461 N MET A1843 34.610 -24.732 29.219 1.00 40.39 N ATOM 462 CA MET A1843 33.911 -23.804 30.103 1.00 41.64 C ATOM 463 C MET A1843 34.865 -22.761 30.668 1.00 45.38 C ATOM 464 O MET A1843 34.507 -21.583 30.788 1.00 44.96 O ATOM 465 CB MET A1843 33.226 -24.576 31.233 1.00 44.64 C ATOM 466 CG MET A1843 32.083 -25.471 30.769 1.00 43.59 C ATOM 467 SD MET A1843 31.503 -26.614 32.040 1.00 43.62 S ATOM 468 CE MET A1843 30.754 -25.483 33.203 1.00 39.71 C ATOM 469 H MET A1843 34.691 -25.734 29.486 1.00 0.00 H ATOM 470 N ARG A1844 36.083 -23.189 30.986 1.00 48.62 N ATOM 471 CA ARG A1844 37.096 -22.288 31.516 1.00 48.17 C ATOM 472 C ARG A1844 37.435 -21.219 30.482 1.00 51.06 C ATOM 473 O ARG A1844 37.496 -20.032 30.801 1.00 51.72 O ATOM 474 CB ARG A1844 38.356 -23.064 31.905 1.00 46.12 C ATOM 475 CG ARG A1844 39.548 -22.184 32.242 1.00 41.91 C ATOM 476 CD ARG A1844 39.215 -21.207 33.357 1.00 49.77 C ATOM 477 NE ARG A1844 39.160 -21.862 34.661 1.00 41.25 N ATOM 478 CZ ARG A1844 38.584 -21.337 35.737 1.00 43.76 C ATOM 479 NH1 ARG A1844 38.011 -20.144 35.669 1.00 41.78 N ATOM 480 NH2 ARG A1844 38.581 -22.005 36.882 1.00 46.99 N ATOM 481 HE ARG A1844 39.600 -22.800 34.753 1.00 0.00 H ATOM 482 HH12 ARG A1844 37.561 -19.735 36.512 1.00 0.00 H ATOM 483 HH11 ARG A1844 38.012 -19.617 34.772 1.00 0.00 H ATOM 484 HH22 ARG A1844 38.130 -21.593 37.723 1.00 0.00 H ATOM 485 HH21 ARG A1844 39.030 -22.941 36.939 1.00 0.00 H ATOM 486 H ARG A1844 36.318 -24.193 30.853 1.00 0.00 H ATOM 487 N GLU A1845 37.654 -21.647 29.242 1.00 52.84 N ATOM 488 CA GLU A1845 37.975 -20.719 28.161 1.00 51.49 C ATOM 489 C GLU A1845 36.871 -19.687 27.985 1.00 49.83 C ATOM 490 O GLU A1845 37.134 -18.482 27.894 1.00 51.48 O ATOM 491 CB GLU A1845 38.193 -21.482 26.850 1.00 55.91 C ATOM 492 CG GLU A1845 39.452 -22.334 26.779 1.00 60.37 C ATOM 493 CD GLU A1845 39.617 -23.006 25.421 1.00 70.23 C ATOM 494 OE1 GLU A1845 38.869 -22.646 24.485 1.00 69.28 O ATOM 495 OE2 GLU A1845 40.489 -23.892 25.287 1.00 71.04 O ATOM 496 H GLU A1845 37.595 -22.665 29.038 1.00 0.00 H ATOM 497 N ARG A1846 35.620 -20.148 27.939 1.00 51.86 N ATOM 498 CA ARG A1846 34.505 -19.240 27.699 1.00 52.53 C ATOM 499 C ARG A1846 34.321 -18.270 28.859 1.00 52.71 C ATOM 500 O ARG A1846 34.044 -17.083 28.648 1.00 53.61 O ATOM 501 CB ARG A1846 33.229 -20.040 27.451 1.00 48.78 C ATOM 502 CG ARG A1846 32.027 -19.188 27.104 1.00 58.09 C ATOM 503 CD ARG A1846 30.841 -20.048 26.717 1.00 60.49 C ATOM 504 NE ARG A1846 29.602 -19.277 26.675 1.00 64.78 N ATOM 505 CZ ARG A1846 28.393 -19.819 26.578 1.00 62.50 C ATOM 506 NH1 ARG A1846 28.261 -21.137 26.517 1.00 57.92 N ATOM 507 NH2 ARG A1846 27.318 -19.044 26.551 1.00 61.33 N ATOM 508 HE ARG A1846 29.670 -18.240 26.724 1.00 0.00 H ATOM 509 HH12 ARG A1846 27.315 -21.562 26.441 1.00 0.00 H ATOM 510 HH11 ARG A1846 29.104 -21.746 26.545 1.00 0.00 H ATOM 511 HH22 ARG A1846 26.372 -19.469 26.475 1.00 0.00 H ATOM 512 HH21 ARG A1846 27.421 -18.011 26.606 1.00 0.00 H ATOM 513 H ARG A1846 35.439 -21.163 28.075 1.00 0.00 H ATOM 514 N LEU A1847 34.484 -18.755 30.093 1.00 52.81 N ATOM 515 CA LEU A1847 34.284 -17.903 31.262 1.00 55.04 C ATOM 516 C LEU A1847 35.330 -16.795 31.336 1.00 55.82 C ATOM 517 O LEU A1847 35.007 -15.656 31.691 1.00 51.51 O ATOM 518 CB LEU A1847 34.307 -18.751 32.534 1.00 53.68 C ATOM 519 CG LEU A1847 34.026 -18.057 33.868 1.00 47.92 C ATOM 520 CD1 LEU A1847 32.626 -17.466 33.891 1.00 50.83 C ATOM 521 CD2 LEU A1847 34.222 -19.036 35.017 1.00 49.53 C ATOM 522 H LEU A1847 34.756 -19.750 30.223 1.00 0.00 H ATOM 523 N LEU A1848 36.588 -17.106 31.004 1.00 54.27 N ATOM 524 CA LEU A1848 37.652 -16.110 31.115 1.00 53.12 C ATOM 525 C LEU A1848 37.476 -14.985 30.097 1.00 63.68 C ATOM 526 O LEU A1848 37.720 -13.814 30.411 1.00 69.88 O ATOM 527 CB LEU A1848 39.020 -16.780 30.961 1.00 46.84 C ATOM 528 CG LEU A1848 39.521 -17.576 32.173 1.00 54.03 C ATOM 529 CD1 LEU A1848 40.951 -18.065 31.969 1.00 54.67 C ATOM 530 CD2 LEU A1848 39.408 -16.757 33.460 1.00 50.03 C ATOM 531 H LEU A1848 36.811 -18.063 30.664 1.00 0.00 H ATOM 532 N ARG A1849 37.063 -15.322 28.872 1.00 61.73 N ATOM 533 CA ARG A1849 36.613 -14.359 27.867 1.00 53.33 C ATOM 534 C ARG A1849 35.225 -13.791 28.200 1.00 60.96 C ATOM 535 O ARG A1849 34.680 -12.976 27.447 1.00 65.07 O ATOM 536 CB ARG A1849 36.652 -15.033 26.480 1.00 56.45 C ATOM 537 CG ARG A1849 36.227 -14.231 25.221 1.00 63.99 C ATOM 538 CD ARG A1849 36.589 -12.743 25.218 1.00 67.95 C ATOM 539 NE ARG A1849 36.559 -12.191 23.858 1.00 72.98 N ATOM 540 CZ ARG A1849 35.456 -11.848 23.199 1.00 78.41 C ATOM 541 NH1 ARG A1849 34.273 -11.995 23.774 1.00 76.58 N ATOM 542 NH2 ARG A1849 35.537 -11.365 21.965 1.00 72.49 N ATOM 543 HE ARG A1849 37.469 -12.058 23.373 1.00 0.00 H ATOM 544 HH12 ARG A1849 33.409 -11.728 23.261 1.00 0.00 H ATOM 545 HH11 ARG A1849 34.208 -12.378 24.739 1.00 0.00 H ATOM 546 HH22 ARG A1849 34.672 -11.098 21.453 1.00 0.00 H ATOM 547 HH21 ARG A1849 36.466 -11.254 21.510 1.00 0.00 H ATOM 548 H ARG A1849 37.061 -16.330 28.617 1.00 0.00 H ATOM 549 N GLY A1850 34.648 -14.186 29.334 1.00 66.59 N ATOM 550 CA GLY A1850 33.398 -13.602 29.794 1.00 68.65 C ATOM 551 C GLY A1850 32.221 -13.943 28.908 1.00 71.49 C ATOM 552 O GLY A1850 31.179 -13.281 28.955 1.00 69.67 O ATOM 553 H GLY A1850 35.102 -14.929 29.903 1.00 0.00 H ATOM 554 N GLY A1851 32.376 -14.995 28.107 1.00 69.80 N ATOM 555 CA GLY A1851 31.364 -15.405 27.153 1.00 64.51 C ATOM 556 C GLY A1851 30.118 -16.009 27.769 1.00 66.67 C ATOM 557 O GLY A1851 29.363 -16.704 27.083 1.00 65.39 O ATOM 558 H GLY A1851 33.257 -15.544 28.168 1.00 0.00 H ATOM 559 N TYR A1852 29.891 -15.759 29.055 1.00 60.28 N ATOM 560 CA TYR A1852 28.671 -16.173 29.736 1.00 62.29 C ATOM 561 C TYR A1852 27.873 -14.941 30.137 1.00 71.29 C ATOM 562 O TYR A1852 28.402 -14.043 30.801 1.00 76.34 O ATOM 563 CB TYR A1852 28.982 -17.029 30.969 1.00 62.03 C ATOM 564 CG TYR A1852 29.413 -18.445 30.647 1.00 58.29 C ATOM 565 CD1 TYR A1852 28.536 -19.337 30.041 1.00 59.84 C ATOM 566 CD2 TYR A1852 30.691 -18.892 30.955 1.00 54.53 C ATOM 567 CE1 TYR A1852 28.924 -20.633 29.743 1.00 54.18 C ATOM 568 CE2 TYR A1852 31.088 -20.188 30.660 1.00 52.76 C ATOM 569 CZ TYR A1852 30.199 -21.053 30.054 1.00 51.89 C ATOM 570 OH TYR A1852 30.582 -22.342 29.756 1.00 46.45 O ATOM 571 HH TYR A1852 29.827 -22.819 29.328 1.00 0.00 H ATOM 572 H TYR A1852 30.615 -15.246 29.598 1.00 0.00 H ATOM 573 N THR A1853 26.604 -14.903 29.729 1.00 72.35 N ATOM 574 CA THR A1853 25.724 -13.781 30.039 1.00 67.82 C ATOM 575 C THR A1853 25.142 -13.877 31.444 1.00 72.03 C ATOM 576 O THR A1853 25.094 -12.873 32.164 1.00 78.32 O ATOM 577 CB THR A1853 24.588 -13.701 29.011 1.00 73.08 C ATOM 578 OG1 THR A1853 25.136 -13.589 27.692 1.00 61.84 O ATOM 579 CG2 THR A1853 23.689 -12.497 29.287 1.00 73.41 C ATOM 580 HG1 THR A1853 24.399 -13.538 27.033 1.00 0.00 H ATOM 581 H THR A1853 26.230 -15.698 29.172 1.00 0.00 H ATOM 582 N SER A1854 24.698 -15.066 31.848 1.00 71.57 N ATOM 583 CA SER A1854 24.135 -15.287 33.172 1.00 73.61 C ATOM 584 C SER A1854 24.736 -16.552 33.761 1.00 68.94 C ATOM 585 O SER A1854 25.436 -17.311 33.084 1.00 64.45 O ATOM 586 CB SER A1854 22.605 -15.402 33.132 1.00 78.52 C ATOM 587 OG SER A1854 22.197 -16.508 32.343 1.00 72.30 O ATOM 588 HG SER A1854 21.208 -16.559 32.334 1.00 0.00 H ATOM 589 H SER A1854 24.756 -15.870 31.190 1.00 0.00 H ATOM 590 N SER A1855 24.452 -16.775 35.044 1.00 71.33 N ATOM 591 CA SER A1855 24.823 -18.037 35.667 1.00 73.47 C ATOM 592 C SER A1855 24.087 -19.213 35.043 1.00 71.23 C ATOM 593 O SER A1855 24.578 -20.346 35.107 1.00 69.38 O ATOM 594 CB SER A1855 24.537 -17.984 37.164 1.00 71.78 C ATOM 595 OG SER A1855 23.145 -17.897 37.418 1.00 77.26 O ATOM 596 HG SER A1855 22.990 -17.864 38.395 1.00 0.00 H ATOM 597 H SER A1855 23.964 -16.045 35.602 1.00 0.00 H ATOM 598 N GLU A1856 22.924 -18.962 34.434 1.00 71.66 N ATOM 599 CA GLU A1856 22.135 -20.045 33.858 1.00 66.22 C ATOM 600 C GLU A1856 22.811 -20.637 32.629 1.00 58.19 C ATOM 601 O GLU A1856 22.792 -21.857 32.434 1.00 61.58 O ATOM 602 CB GLU A1856 20.732 -19.547 33.513 1.00 73.98 C ATOM 603 CG GLU A1856 19.731 -19.652 34.659 1.00 78.76 C ATOM 604 CD GLU A1856 19.726 -18.434 35.566 1.00 82.67 C ATOM 605 OE1 GLU A1856 19.435 -17.322 35.073 1.00 80.82 O ATOM 606 OE2 GLU A1856 20.010 -18.589 36.773 1.00 86.49 O ATOM 607 H GLU A1856 22.578 -17.983 34.370 1.00 0.00 H ATOM 608 N GLU A1857 23.406 -19.794 31.780 1.00 61.09 N ATOM 609 CA GLU A1857 24.148 -20.319 30.638 1.00 63.28 C ATOM 610 C GLU A1857 25.330 -21.160 31.097 1.00 58.16 C ATOM 611 O GLU A1857 25.674 -22.157 30.452 1.00 54.53 O ATOM 612 CB GLU A1857 24.631 -19.179 29.736 1.00 64.61 C ATOM 613 CG GLU A1857 23.528 -18.289 29.181 1.00 62.97 C ATOM 614 CD GLU A1857 24.010 -17.406 28.041 1.00 73.40 C ATOM 615 OE1 GLU A1857 23.161 -16.847 27.315 1.00 79.10 O ATOM 616 OE2 GLU A1857 25.241 -17.276 27.866 1.00 73.15 O ATOM 617 H GLU A1857 23.341 -18.767 31.932 1.00 0.00 H ATOM 618 N PHE A1858 25.957 -20.772 32.209 1.00 57.62 N ATOM 619 CA PHE A1858 27.049 -21.559 32.769 1.00 52.23 C ATOM 620 C PHE A1858 26.551 -22.918 33.237 1.00 52.64 C ATOM 621 O PHE A1858 27.178 -23.951 32.973 1.00 52.36 O ATOM 622 CB PHE A1858 27.698 -20.793 33.922 1.00 56.21 C ATOM 623 CG PHE A1858 28.758 -21.569 34.649 1.00 50.24 C ATOM 624 CD1 PHE A1858 28.475 -22.204 35.850 1.00 49.37 C ATOM 625 CD2 PHE A1858 30.040 -21.660 34.136 1.00 49.35 C ATOM 626 CE1 PHE A1858 29.452 -22.918 36.520 1.00 51.66 C ATOM 627 CE2 PHE A1858 31.021 -22.369 34.803 1.00 48.38 C ATOM 628 CZ PHE A1858 30.727 -23.001 35.995 1.00 45.12 C ATOM 629 H PHE A1858 25.662 -19.895 32.684 1.00 0.00 H ATOM 630 N ALA A1859 25.415 -22.934 33.938 1.00 52.57 N ATOM 631 CA ALA A1859 24.869 -24.191 34.435 1.00 52.97 C ATOM 632 C ALA A1859 24.484 -25.113 33.287 1.00 47.08 C ATOM 633 O ALA A1859 24.672 -26.332 33.371 1.00 47.79 O ATOM 634 CB ALA A1859 23.664 -23.919 35.335 1.00 55.96 C ATOM 635 H ALA A1859 24.915 -22.042 34.131 1.00 0.00 H ATOM 636 N ALA A1860 23.952 -24.546 32.202 1.00 42.48 N ATOM 637 CA ALA A1860 23.575 -25.361 31.054 1.00 44.36 C ATOM 638 C ALA A1860 24.777 -26.083 30.463 1.00 43.68 C ATOM 639 O ALA A1860 24.646 -27.211 29.974 1.00 44.11 O ATOM 640 CB ALA A1860 22.898 -24.492 29.994 1.00 47.48 C ATOM 641 H ALA A1860 23.806 -23.517 32.176 1.00 0.00 H ATOM 642 N ASP A1861 25.954 -25.454 30.502 1.00 44.02 N ATOM 643 CA ASP A1861 27.165 -26.120 30.037 1.00 43.04 C ATOM 644 C ASP A1861 27.616 -27.203 31.008 1.00 43.05 C ATOM 645 O ASP A1861 28.108 -28.254 30.582 1.00 34.27 O ATOM 646 CB ASP A1861 28.279 -25.095 29.824 1.00 43.02 C ATOM 647 CG ASP A1861 28.345 -24.596 28.395 1.00 55.67 C ATOM 648 OD1 ASP A1861 27.663 -25.180 27.525 1.00 49.48 O ATOM 649 OD2 ASP A1861 29.081 -23.620 28.137 1.00 59.89 O ATOM 650 H ASP A1861 26.008 -24.482 30.867 1.00 0.00 H ATOM 651 N ALA A1862 27.458 -26.967 32.311 1.00 38.67 N ATOM 652 CA ALA A1862 27.849 -27.975 33.289 1.00 35.84 C ATOM 653 C ALA A1862 26.964 -29.209 33.176 1.00 36.66 C ATOM 654 O ALA A1862 27.457 -30.342 33.141 1.00 36.04 O ATOM 655 CB ALA A1862 27.793 -27.388 34.699 1.00 41.71 C ATOM 656 H ALA A1862 27.055 -26.063 32.630 1.00 0.00 H ATOM 657 N LEU A1863 25.647 -29.003 33.101 1.00 38.17 N ATOM 658 CA LEU A1863 24.720 -30.120 32.949 1.00 38.65 C ATOM 659 C LEU A1863 24.955 -30.872 31.646 1.00 35.92 C ATOM 660 O LEU A1863 24.721 -32.085 31.578 1.00 36.41 O ATOM 661 CB LEU A1863 23.279 -29.612 33.016 1.00 32.80 C ATOM 662 CG LEU A1863 22.922 -28.830 34.285 1.00 42.18 C ATOM 663 CD1 LEU A1863 21.462 -28.396 34.275 1.00 42.80 C ATOM 664 CD2 LEU A1863 23.242 -29.650 35.525 1.00 32.67 C ATOM 665 H LEU A1863 25.276 -28.033 33.152 1.00 0.00 H ATOM 666 N LEU A1864 25.415 -30.173 30.605 1.00 35.89 N ATOM 667 CA LEU A1864 25.710 -30.831 29.336 1.00 37.64 C ATOM 668 C LEU A1864 26.890 -31.787 29.470 1.00 38.41 C ATOM 669 O LEU A1864 26.927 -32.833 28.811 1.00 36.89 O ATOM 670 CB LEU A1864 25.978 -29.778 28.256 1.00 37.72 C ATOM 671 CG LEU A1864 26.360 -30.243 26.848 1.00 34.45 C ATOM 672 CD1 LEU A1864 25.291 -31.161 26.271 1.00 31.25 C ATOM 673 CD2 LEU A1864 26.607 -29.050 25.919 1.00 43.37 C ATOM 674 H LEU A1864 25.565 -29.148 30.700 1.00 0.00 H ATOM 675 N VAL A1865 27.866 -31.443 30.316 1.00 34.32 N ATOM 676 CA VAL A1865 29.011 -32.324 30.544 1.00 36.80 C ATOM 677 C VAL A1865 28.542 -33.672 31.070 1.00 34.54 C ATOM 678 O VAL A1865 28.992 -34.733 30.617 1.00 34.71 O ATOM 679 CB VAL A1865 30.010 -31.669 31.518 1.00 35.29 C ATOM 680 CG1 VAL A1865 31.153 -32.616 31.824 1.00 28.38 C ATOM 681 CG2 VAL A1865 30.545 -30.372 30.951 1.00 35.50 C ATOM 682 H VAL A1865 27.810 -30.535 30.820 1.00 0.00 H ATOM 683 N PHE A1866 27.627 -33.643 32.038 1.00 31.15 N ATOM 684 CA PHE A1866 27.176 -34.843 32.728 1.00 36.66 C ATOM 685 C PHE A1866 26.059 -35.558 31.982 1.00 34.56 C ATOM 686 O PHE A1866 25.948 -36.788 32.078 1.00 35.45 O ATOM 687 CB PHE A1866 26.727 -34.486 34.152 1.00 34.50 C ATOM 688 CG PHE A1866 27.714 -33.623 34.892 1.00 30.87 C ATOM 689 CD1 PHE A1866 29.022 -34.041 35.052 1.00 30.59 C ATOM 690 CD2 PHE A1866 27.340 -32.395 35.412 1.00 34.06 C ATOM 691 CE1 PHE A1866 29.942 -33.256 35.717 1.00 29.52 C ATOM 692 CE2 PHE A1866 28.257 -31.602 36.085 1.00 32.61 C ATOM 693 CZ PHE A1866 29.559 -32.037 36.239 1.00 31.14 C ATOM 694 H PHE A1866 27.219 -32.727 32.312 1.00 0.00 H ATOM 695 N ASP A1867 25.230 -34.819 31.242 1.00 34.35 N ATOM 696 CA ASP A1867 24.297 -35.463 30.323 1.00 39.09 C ATOM 697 C ASP A1867 25.051 -36.262 29.270 1.00 34.81 C ATOM 698 O ASP A1867 24.738 -37.431 29.016 1.00 36.54 O ATOM 699 CB ASP A1867 23.395 -34.421 29.657 1.00 40.45 C ATOM 700 CG ASP A1867 22.379 -33.827 30.614 1.00 39.82 C ATOM 701 OD1 ASP A1867 22.087 -34.463 31.648 1.00 37.92 O ATOM 702 OD2 ASP A1867 21.870 -32.723 30.325 1.00 37.04 O ATOM 703 H ASP A1867 25.249 -33.782 31.320 1.00 0.00 H ATOM 704 N ASN A1868 26.055 -35.639 28.645 1.00 33.06 N ATOM 705 CA ASN A1868 26.893 -36.349 27.685 1.00 32.48 C ATOM 706 C ASN A1868 27.544 -37.569 28.320 1.00 33.25 C ATOM 707 O ASN A1868 27.611 -38.641 27.706 1.00 32.44 O ATOM 708 CB ASN A1868 27.966 -35.412 27.124 1.00 35.55 C ATOM 709 CG ASN A1868 27.396 -34.348 26.203 1.00 34.48 C ATOM 710 OD1 ASN A1868 26.300 -34.494 25.670 1.00 41.70 O ATOM 711 ND2 ASN A1868 28.147 -33.273 26.009 1.00 36.98 N ATOM 712 HD22 ASN A1868 29.070 -33.191 26.481 1.00 0.00 H ATOM 713 HD21 ASN A1868 27.813 -32.511 25.384 1.00 0.00 H ATOM 714 H ASN A1868 26.241 -34.636 28.846 1.00 0.00 H ATOM 715 N CYS A1869 28.025 -37.424 29.557 1.00 33.85 N ATOM 716 CA CYS A1869 28.655 -38.545 30.246 1.00 31.58 C ATOM 717 C CYS A1869 27.679 -39.704 30.411 1.00 34.45 C ATOM 718 O CYS A1869 28.008 -40.858 30.110 1.00 34.73 O ATOM 719 CB CYS A1869 29.192 -38.085 31.602 1.00 37.21 C ATOM 720 SG CYS A1869 30.086 -39.356 32.515 1.00 34.60 S ATOM 721 H CYS A1869 27.950 -36.503 30.034 1.00 0.00 H ATOM 722 N GLN A1870 26.460 -39.412 30.873 1.00 34.81 N ATOM 723 CA GLN A1870 25.474 -40.468 31.080 1.00 37.48 C ATOM 724 C GLN A1870 24.960 -41.037 29.764 1.00 34.60 C ATOM 725 O GLN A1870 24.563 -42.207 29.713 1.00 33.27 O ATOM 726 CB GLN A1870 24.317 -39.940 31.927 1.00 36.12 C ATOM 727 CG GLN A1870 24.684 -39.715 33.382 1.00 29.06 C ATOM 728 CD GLN A1870 23.609 -38.972 34.144 1.00 33.67 C ATOM 729 OE1 GLN A1870 22.732 -39.579 34.756 1.00 36.14 O ATOM 730 NE2 GLN A1870 23.671 -37.646 34.110 1.00 33.93 N ATOM 731 HE22 GLN A1870 24.431 -37.174 33.579 1.00 0.00 H ATOM 732 HE21 GLN A1870 22.960 -37.079 34.614 1.00 0.00 H ATOM 733 H GLN A1870 26.212 -38.425 31.087 1.00 0.00 H ATOM 734 N THR A1871 24.958 -40.234 28.696 1.00 39.78 N ATOM 735 CA THR A1871 24.578 -40.754 27.386 1.00 34.18 C ATOM 736 C THR A1871 25.606 -41.754 26.867 1.00 33.98 C ATOM 737 O THR A1871 25.241 -42.817 26.353 1.00 33.82 O ATOM 738 CB THR A1871 24.407 -39.606 26.390 1.00 35.51 C ATOM 739 OG1 THR A1871 23.364 -38.731 26.834 1.00 40.81 O ATOM 740 CG2 THR A1871 24.040 -40.140 25.023 1.00 31.40 C ATOM 741 HG1 THR A1871 23.600 -38.363 27.722 1.00 0.00 H ATOM 742 H THR A1871 25.228 -39.235 28.798 1.00 0.00 H ATOM 743 N PHE A1872 26.892 -41.444 27.008 1.00 32.85 N ATOM 744 CA PHE A1872 27.921 -42.265 26.384 1.00 34.26 C ATOM 745 C PHE A1872 28.433 -43.395 27.268 1.00 35.59 C ATOM 746 O PHE A1872 28.874 -44.424 26.742 1.00 33.60 O ATOM 747 CB PHE A1872 29.110 -41.400 25.961 1.00 30.80 C ATOM 748 CG PHE A1872 30.145 -42.157 25.192 1.00 35.01 C ATOM 749 CD1 PHE A1872 29.960 -42.419 23.845 1.00 32.23 C ATOM 750 CD2 PHE A1872 31.288 -42.630 25.815 1.00 35.43 C ATOM 751 CE1 PHE A1872 30.899 -43.121 23.132 1.00 31.63 C ATOM 752 CE2 PHE A1872 32.230 -43.337 25.103 1.00 39.36 C ATOM 753 CZ PHE A1872 32.033 -43.584 23.758 1.00 31.93 C ATOM 754 H PHE A1872 27.164 -40.610 27.567 1.00 0.00 H ATOM 755 N ASN A1873 28.408 -43.239 28.588 1.00 37.31 N ATOM 756 CA ASN A1873 29.083 -44.171 29.480 1.00 35.17 C ATOM 757 C ASN A1873 28.084 -44.901 30.367 1.00 34.01 C ATOM 758 O ASN A1873 27.126 -44.302 30.867 1.00 36.18 O ATOM 759 CB ASN A1873 30.112 -43.442 30.340 1.00 34.58 C ATOM 760 CG ASN A1873 31.104 -42.657 29.509 1.00 37.47 C ATOM 761 OD1 ASN A1873 32.155 -43.175 29.122 1.00 37.67 O ATOM 762 ND2 ASN A1873 30.772 -41.402 29.219 1.00 31.58 N ATOM 763 HD22 ASN A1873 29.875 -41.008 29.567 1.00 0.00 H ATOM 764 HD21 ASN A1873 31.409 -40.815 28.644 1.00 0.00 H ATOM 765 H ASN A1873 27.894 -42.431 28.994 1.00 0.00 H ATOM 766 N GLU A1874 28.317 -46.200 30.550 1.00 36.85 N ATOM 767 CA GLU A1874 27.544 -46.985 31.501 1.00 38.56 C ATOM 768 C GLU A1874 27.681 -46.390 32.899 1.00 37.60 C ATOM 769 O GLU A1874 28.705 -45.795 33.249 1.00 36.98 O ATOM 770 CB GLU A1874 28.014 -48.443 31.495 1.00 36.52 C ATOM 771 CG GLU A1874 28.065 -49.098 30.115 1.00 49.74 C ATOM 772 CD GLU A1874 26.831 -49.932 29.809 1.00 63.10 C ATOM 773 OE1 GLU A1874 25.726 -49.546 30.246 1.00 62.43 O ATOM 774 OE2 GLU A1874 26.967 -50.979 29.136 1.00 72.29 O ATOM 775 H GLU A1874 29.069 -46.664 30.001 1.00 0.00 H ATOM 776 N ASP A1875 26.623 -46.539 33.700 1.00 37.24 N ATOM 777 CA ASP A1875 26.630 -45.969 35.043 1.00 36.17 C ATOM 778 C ASP A1875 27.687 -46.618 35.920 1.00 36.77 C ATOM 779 O ASP A1875 28.144 -46.010 36.894 1.00 32.69 O ATOM 780 CB ASP A1875 25.252 -46.112 35.686 1.00 32.35 C ATOM 781 CG ASP A1875 24.210 -45.251 35.013 1.00 32.90 C ATOM 782 OD1 ASP A1875 24.490 -44.056 34.771 1.00 28.92 O ATOM 783 OD2 ASP A1875 23.114 -45.770 34.720 1.00 25.41 O ATOM 784 H ASP A1875 25.790 -47.064 33.365 1.00 0.00 H ATOM 785 N ASP A1876 28.091 -47.842 35.589 1.00 41.12 N ATOM 786 CA ASP A1876 29.102 -48.559 36.349 1.00 46.26 C ATOM 787 C ASP A1876 30.472 -48.532 35.686 1.00 44.73 C ATOM 788 O ASP A1876 31.397 -49.184 36.180 1.00 45.72 O ATOM 789 CB ASP A1876 28.659 -50.005 36.599 1.00 42.83 C ATOM 790 CG ASP A1876 28.396 -50.781 35.323 1.00 43.33 C ATOM 791 OD1 ASP A1876 28.156 -50.165 34.265 1.00 52.37 O ATOM 792 OD2 ASP A1876 28.421 -52.029 35.391 1.00 49.73 O ATOM 793 H ASP A1876 27.669 -48.302 34.757 1.00 0.00 H ATOM 794 N SER A1877 30.626 -47.795 34.587 1.00 42.38 N ATOM 795 CA SER A1877 31.948 -47.589 34.019 1.00 41.10 C ATOM 796 C SER A1877 32.746 -46.629 34.895 1.00 38.20 C ATOM 797 O SER A1877 32.200 -45.911 35.737 1.00 40.13 O ATOM 798 CB SER A1877 31.853 -47.046 32.591 1.00 36.83 C ATOM 799 OG SER A1877 31.410 -45.699 32.573 1.00 31.82 O ATOM 800 HG SER A1877 30.514 -45.642 32.990 1.00 0.00 H ATOM 801 H SER A1877 29.795 -47.364 34.133 1.00 0.00 H ATOM 802 N GLU A1878 34.065 -46.632 34.696 1.00 41.74 N ATOM 803 CA GLU A1878 34.927 -45.740 35.466 1.00 39.05 C ATOM 804 C GLU A1878 34.623 -44.278 35.159 1.00 36.53 C ATOM 805 O GLU A1878 34.558 -43.448 36.073 1.00 39.64 O ATOM 806 CB GLU A1878 36.393 -46.064 35.185 1.00 42.33 C ATOM 807 CG GLU A1878 36.789 -47.478 35.580 1.00 53.42 C ATOM 808 CD GLU A1878 36.814 -47.676 37.087 1.00 66.07 C ATOM 809 OE1 GLU A1878 37.517 -46.905 37.778 1.00 63.80 O ATOM 810 OE2 GLU A1878 36.129 -48.598 37.583 1.00 63.31 O ATOM 811 H GLU A1878 34.481 -47.272 33.990 1.00 0.00 H ATOM 812 N VAL A1879 34.434 -43.946 33.879 1.00 34.99 N ATOM 813 CA VAL A1879 34.031 -42.593 33.508 1.00 34.45 C ATOM 814 C VAL A1879 32.639 -42.292 34.045 1.00 34.21 C ATOM 815 O VAL A1879 32.378 -41.200 34.565 1.00 30.09 O ATOM 816 CB VAL A1879 34.097 -42.411 31.978 1.00 36.92 C ATOM 817 CG1 VAL A1879 33.397 -41.126 31.558 1.00 22.49 C ATOM 818 CG2 VAL A1879 35.542 -42.402 31.498 1.00 30.79 C ATOM 819 H VAL A1879 34.576 -44.661 33.137 1.00 0.00 H ATOM 820 N GLY A1880 31.727 -43.259 33.932 1.00 38.14 N ATOM 821 CA GLY A1880 30.376 -43.045 34.426 1.00 35.39 C ATOM 822 C GLY A1880 30.338 -42.830 35.923 1.00 36.24 C ATOM 823 O GLY A1880 29.713 -41.884 36.413 1.00 42.42 O ATOM 824 H GLY A1880 31.982 -44.166 33.491 1.00 0.00 H ATOM 825 N LYS A1881 31.015 -43.707 36.676 1.00 36.07 N ATOM 826 CA LYS A1881 31.095 -43.556 38.126 1.00 36.26 C ATOM 827 C LYS A1881 31.661 -42.194 38.512 1.00 35.56 C ATOM 828 O LYS A1881 31.190 -41.562 39.464 1.00 35.79 O ATOM 829 CB LYS A1881 31.946 -44.680 38.728 1.00 34.70 C ATOM 830 CG LYS A1881 31.224 -46.022 38.844 1.00 35.53 C ATOM 831 CD LYS A1881 32.021 -47.053 39.643 1.00 44.55 C ATOM 832 CE LYS A1881 33.213 -47.577 38.859 1.00 52.64 C ATOM 833 NZ LYS A1881 33.838 -48.752 39.530 1.00 60.00 N ATOM 834 HZ1 LYS A1881 34.164 -48.475 40.478 1.00 0.00 H ATOM 835 HZ2 LYS A1881 33.137 -49.516 39.612 1.00 0.00 H ATOM 836 HZ3 LYS A1881 34.647 -49.082 38.966 1.00 0.00 H ATOM 837 H LYS A1881 31.492 -44.510 36.219 1.00 0.00 H ATOM 838 N ALA A1882 32.668 -41.721 37.775 1.00 33.39 N ATOM 839 CA ALA A1882 33.236 -40.411 38.067 1.00 27.36 C ATOM 840 C ALA A1882 32.277 -39.289 37.696 1.00 30.91 C ATOM 841 O ALA A1882 32.244 -38.255 38.376 1.00 35.88 O ATOM 842 CB ALA A1882 34.569 -40.240 37.338 1.00 25.51 C ATOM 843 H ALA A1882 33.048 -42.288 36.991 1.00 0.00 H ATOM 844 N GLY A1883 31.493 -39.470 36.632 1.00 36.01 N ATOM 845 CA GLY A1883 30.542 -38.440 36.250 1.00 36.82 C ATOM 846 C GLY A1883 29.452 -38.239 37.281 1.00 34.35 C ATOM 847 O GLY A1883 29.022 -37.111 37.535 1.00 32.84 O ATOM 848 H GLY A1883 31.562 -40.347 36.077 1.00 0.00 H ATOM 849 N HIS A1884 28.989 -39.330 37.893 1.00 31.05 N ATOM 850 CA HIS A1884 27.934 -39.213 38.892 1.00 37.03 C ATOM 851 C HIS A1884 28.423 -38.464 40.125 1.00 31.09 C ATOM 852 O HIS A1884 27.677 -37.676 40.716 1.00 30.62 O ATOM 853 CB HIS A1884 27.412 -40.596 39.278 1.00 35.30 C ATOM 854 CG HIS A1884 26.589 -41.260 38.214 1.00 33.20 C ATOM 855 ND1 HIS A1884 25.433 -40.706 37.705 1.00 33.48 N ATOM 856 CD2 HIS A1884 26.743 -42.450 37.589 1.00 37.47 C ATOM 857 CE1 HIS A1884 24.919 -41.522 36.801 1.00 28.84 C ATOM 858 NE2 HIS A1884 25.695 -42.586 36.711 1.00 32.57 N ATOM 859 H HIS A1884 29.381 -40.264 37.657 1.00 0.00 H ATOM 860 N ILE A1885 29.671 -38.705 40.534 1.00 34.28 N ATOM 861 CA ILE A1885 30.251 -37.955 41.647 1.00 31.78 C ATOM 862 C ILE A1885 30.323 -36.476 41.298 1.00 33.69 C ATOM 863 O ILE A1885 29.995 -35.607 42.114 1.00 36.21 O ATOM 864 CB ILE A1885 31.641 -38.510 42.010 1.00 30.94 C ATOM 865 CG1 ILE A1885 31.531 -39.928 42.573 1.00 30.84 C ATOM 866 CG2 ILE A1885 32.341 -37.593 43.004 1.00 31.16 C ATOM 867 CD1 ILE A1885 32.874 -40.586 42.828 1.00 26.18 C ATOM 868 H ILE A1885 30.237 -39.435 40.055 1.00 0.00 H ATOM 869 N MET A1886 30.748 -36.173 40.069 1.00 31.61 N ATOM 870 CA MET A1886 30.875 -34.781 39.654 1.00 31.43 C ATOM 871 C MET A1886 29.513 -34.121 39.491 1.00 38.59 C ATOM 872 O MET A1886 29.344 -32.945 39.836 1.00 38.46 O ATOM 873 CB MET A1886 31.671 -34.688 38.353 1.00 34.46 C ATOM 874 CG MET A1886 33.139 -35.027 38.495 1.00 32.70 C ATOM 875 SD MET A1886 33.915 -34.194 39.896 1.00 38.55 S ATOM 876 CE MET A1886 33.621 -32.465 39.516 1.00 31.54 C ATOM 877 H MET A1886 30.990 -36.935 39.404 1.00 0.00 H ATOM 878 N ARG A1887 28.530 -34.854 38.964 1.00 35.06 N ATOM 879 CA ARG A1887 27.204 -34.274 38.782 1.00 34.23 C ATOM 880 C ARG A1887 26.550 -33.976 40.125 1.00 34.13 C ATOM 881 O ARG A1887 25.953 -32.910 40.313 1.00 38.47 O ATOM 882 CB ARG A1887 26.324 -35.203 37.947 1.00 29.20 C ATOM 883 CG ARG A1887 24.914 -34.679 37.733 1.00 25.71 C ATOM 884 CD ARG A1887 24.070 -35.690 36.986 1.00 26.86 C ATOM 885 NE ARG A1887 24.252 -37.027 37.541 1.00 30.01 N ATOM 886 CZ ARG A1887 23.722 -37.443 38.687 1.00 31.87 C ATOM 887 NH1 ARG A1887 22.962 -36.632 39.412 1.00 25.78 N ATOM 888 NH2 ARG A1887 23.950 -38.677 39.110 1.00 30.14 N ATOM 889 HE ARG A1887 24.836 -37.700 37.004 1.00 0.00 H ATOM 890 HH12 ARG A1887 22.552 -36.966 40.307 1.00 0.00 H ATOM 891 HH11 ARG A1887 22.777 -35.662 39.085 1.00 0.00 H ATOM 892 HH22 ARG A1887 23.536 -39.004 40.006 1.00 0.00 H ATOM 893 HH21 ARG A1887 24.543 -39.319 38.546 1.00 0.00 H ATOM 894 H ARG A1887 28.709 -35.839 38.683 1.00 0.00 H ATOM 895 N ARG A1888 26.658 -34.908 41.076 1.00 32.60 N ATOM 896 CA ARG A1888 26.108 -34.668 42.407 1.00 36.20 C ATOM 897 C ARG A1888 26.847 -33.542 43.117 1.00 41.11 C ATOM 898 O ARG A1888 26.235 -32.754 43.846 1.00 43.70 O ATOM 899 CB ARG A1888 26.155 -35.948 43.241 1.00 29.68 C ATOM 900 CG ARG A1888 25.031 -36.925 42.950 1.00 32.26 C ATOM 901 CD ARG A1888 25.047 -38.063 43.949 1.00 34.30 C ATOM 902 NE ARG A1888 26.299 -38.809 43.885 1.00 29.10 N ATOM 903 CZ ARG A1888 26.463 -39.927 43.188 1.00 29.21 C ATOM 904 NH1 ARG A1888 25.451 -40.433 42.496 1.00 32.11 N ATOM 905 NH2 ARG A1888 27.636 -40.538 43.180 1.00 31.74 N ATOM 906 HE ARG A1888 27.113 -38.442 44.418 1.00 0.00 H ATOM 907 HH12 ARG A1888 25.581 -41.309 41.950 1.00 0.00 H ATOM 908 HH11 ARG A1888 24.528 -39.954 42.499 1.00 0.00 H ATOM 909 HH22 ARG A1888 27.762 -41.414 42.633 1.00 0.00 H ATOM 910 HH21 ARG A1888 28.432 -40.143 43.720 1.00 0.00 H ATOM 911 H ARG A1888 27.136 -35.808 40.867 1.00 0.00 H ATOM 912 N PHE A1889 28.167 -33.455 42.926 1.00 40.02 N ATOM 913 CA PHE A1889 28.923 -32.354 43.516 1.00 40.44 C ATOM 914 C PHE A1889 28.461 -31.015 42.956 1.00 41.88 C ATOM 915 O PHE A1889 28.295 -30.042 43.700 1.00 49.94 O ATOM 916 CB PHE A1889 30.424 -32.541 43.278 1.00 43.04 C ATOM 917 CG PHE A1889 31.257 -31.359 43.704 1.00 44.02 C ATOM 918 CD1 PHE A1889 31.636 -31.200 45.029 1.00 44.30 C ATOM 919 CD2 PHE A1889 31.665 -30.410 42.780 1.00 40.02 C ATOM 920 CE1 PHE A1889 32.400 -30.111 45.424 1.00 38.22 C ATOM 921 CE2 PHE A1889 32.427 -29.321 43.168 1.00 40.61 C ATOM 922 CZ PHE A1889 32.794 -29.171 44.491 1.00 44.92 C ATOM 923 H PHE A1889 28.657 -34.173 42.356 1.00 0.00 H ATOM 924 N PHE A1890 28.251 -30.947 41.639 1.00 44.13 N ATOM 925 CA PHE A1890 27.843 -29.688 41.026 1.00 41.95 C ATOM 926 C PHE A1890 26.457 -29.268 41.499 1.00 44.67 C ATOM 927 O PHE A1890 26.261 -28.131 41.940 1.00 51.22 O ATOM 928 CB PHE A1890 27.872 -29.793 39.502 1.00 37.27 C ATOM 929 CG PHE A1890 27.215 -28.631 38.818 1.00 40.09 C ATOM 930 CD1 PHE A1890 27.882 -27.428 38.688 1.00 40.25 C ATOM 931 CD2 PHE A1890 25.920 -28.731 38.337 1.00 41.78 C ATOM 932 CE1 PHE A1890 27.279 -26.348 38.081 1.00 44.99 C ATOM 933 CE2 PHE A1890 25.311 -27.654 37.727 1.00 46.08 C ATOM 934 CZ PHE A1890 25.993 -26.461 37.597 1.00 45.48 C ATOM 935 H PHE A1890 28.379 -31.794 41.049 1.00 0.00 H ATOM 936 N GLU A1891 25.479 -30.174 41.403 1.00 46.80 N ATOM 937 CA GLU A1891 24.124 -29.848 41.834 1.00 47.59 C ATOM 938 C GLU A1891 24.097 -29.428 43.297 1.00 53.34 C ATOM 939 O GLU A1891 23.348 -28.520 43.674 1.00 60.58 O ATOM 940 CB GLU A1891 23.192 -31.038 41.600 1.00 45.25 C ATOM 941 CG GLU A1891 22.809 -31.250 40.143 1.00 46.97 C ATOM 942 CD GLU A1891 21.915 -32.464 39.940 1.00 56.70 C ATOM 943 OE1 GLU A1891 21.493 -33.077 40.945 1.00 60.37 O ATOM 944 OE2 GLU A1891 21.640 -32.806 38.770 1.00 53.89 O ATOM 945 H GLU A1891 25.685 -31.118 41.018 1.00 0.00 H ATOM 946 N SER A1892 24.914 -30.069 44.134 1.00 51.67 N ATOM 947 CA SER A1892 24.972 -29.695 45.541 1.00 51.32 C ATOM 948 C SER A1892 25.481 -28.268 45.704 1.00 59.26 C ATOM 949 O SER A1892 24.786 -27.403 46.249 1.00 64.16 O ATOM 950 CB SER A1892 25.857 -30.677 46.309 1.00 50.52 C ATOM 951 OG SER A1892 26.043 -30.244 47.645 1.00 70.00 O ATOM 952 HG SER A1892 26.618 -30.892 48.124 1.00 0.00 H ATOM 953 H SER A1892 25.514 -30.841 43.780 1.00 0.00 H ATOM 954 N ARG A1893 26.695 -28.001 45.218 1.00 55.97 N ATOM 955 CA ARG A1893 27.287 -26.680 45.398 1.00 61.53 C ATOM 956 C ARG A1893 26.509 -25.601 44.654 1.00 63.08 C ATOM 957 O ARG A1893 26.507 -24.439 45.075 1.00 72.31 O ATOM 958 CB ARG A1893 28.744 -26.690 44.938 1.00 60.51 C ATOM 959 CG ARG A1893 29.526 -25.468 45.381 1.00 66.46 C ATOM 960 CD ARG A1893 30.249 -25.725 46.692 1.00 63.03 C ATOM 961 NE ARG A1893 30.299 -24.536 47.537 1.00 67.47 N ATOM 962 CZ ARG A1893 31.102 -23.499 47.326 1.00 66.33 C ATOM 963 NH1 ARG A1893 31.923 -23.491 46.286 1.00 67.87 N ATOM 964 NH2 ARG A1893 31.081 -22.463 48.153 1.00 69.17 N ATOM 965 HE ARG A1893 29.663 -24.498 48.359 1.00 0.00 H ATOM 966 HH12 ARG A1893 32.550 -22.677 46.125 1.00 0.00 H ATOM 967 HH11 ARG A1893 31.940 -24.299 45.631 1.00 0.00 H ATOM 968 HH22 ARG A1893 31.710 -21.652 47.986 1.00 0.00 H ATOM 969 HH21 ARG A1893 30.435 -22.461 48.968 1.00 0.00 H ATOM 970 H ARG A1893 27.222 -28.739 44.708 1.00 0.00 H ATOM 971 N TRP A1894 25.852 -25.956 43.548 1.00 54.54 N ATOM 972 CA TRP A1894 25.049 -24.974 42.830 1.00 60.82 C ATOM 973 C TRP A1894 23.814 -24.579 43.625 1.00 67.89 C ATOM 974 O TRP A1894 23.333 -23.449 43.498 1.00 72.00 O ATOM 975 CB TRP A1894 24.636 -25.517 41.461 1.00 54.41 C ATOM 976 CG TRP A1894 23.886 -24.527 40.610 1.00 59.39 C ATOM 977 CD1 TRP A1894 22.530 -24.407 40.489 1.00 68.32 C ATOM 978 CD2 TRP A1894 24.454 -23.527 39.754 1.00 60.98 C ATOM 979 NE1 TRP A1894 22.220 -23.393 39.614 1.00 62.74 N ATOM 980 CE2 TRP A1894 23.383 -22.838 39.149 1.00 56.46 C ATOM 981 CE3 TRP A1894 25.763 -23.147 39.443 1.00 64.18 C ATOM 982 CZ2 TRP A1894 23.582 -21.790 38.251 1.00 62.92 C ATOM 983 CZ3 TRP A1894 25.958 -22.107 38.551 1.00 65.38 C ATOM 984 CH2 TRP A1894 24.873 -21.439 37.968 1.00 67.55 C ATOM 985 HE1 TRP A1894 21.259 -23.096 39.348 1.00 0.00 H ATOM 986 H TRP A1894 25.913 -26.934 43.198 1.00 0.00 H ATOM 987 N GLU A1895 23.296 -25.486 44.452 1.00 71.76 N ATOM 988 CA GLU A1895 22.069 -25.231 45.195 1.00 75.09 C ATOM 989 C GLU A1895 22.316 -24.515 46.517 1.00 76.94 C ATOM 990 O GLU A1895 21.487 -23.698 46.932 1.00 83.55 O ATOM 991 CB GLU A1895 21.321 -26.544 45.436 1.00 72.80 C ATOM 992 CG GLU A1895 20.450 -26.959 44.260 1.00 80.21 C ATOM 993 CD GLU A1895 20.147 -28.447 44.235 1.00 86.20 C ATOM 994 OE1 GLU A1895 20.356 -29.131 45.261 1.00 87.68 O ATOM 995 OE2 GLU A1895 19.705 -28.934 43.172 1.00 79.29 O ATOM 996 H GLU A1895 23.780 -26.399 44.570 1.00 0.00 H ATOM 997 N GLU A1896 23.440 -24.778 47.188 1.00 75.12 N ATOM 998 CA GLU A1896 23.713 -24.084 48.444 1.00 80.90 C ATOM 999 C GLU A1896 24.224 -22.675 48.162 1.00 82.06 C ATOM 1000 O GLU A1896 24.795 -22.021 49.039 1.00 84.96 O ATOM 1001 CB GLU A1896 24.704 -24.866 49.311 1.00 79.71 C ATOM 1002 CG GLU A1896 26.101 -25.004 48.738 1.00 75.53 C ATOM 1003 CD GLU A1896 27.024 -25.797 49.647 1.00 77.37 C ATOM 1004 OE1 GLU A1896 27.219 -25.387 50.813 1.00 75.58 O ATOM 1005 OE2 GLU A1896 27.546 -26.839 49.201 1.00 74.92 O ATOM 1006 H GLU A1896 24.118 -25.474 46.818 1.00 0.00 H ATOM 1007 N PHE A1897 24.031 -22.218 46.925 1.00 79.59 N ATOM 1008 CA PHE A1897 24.157 -20.820 46.540 1.00 84.36 C ATOM 1009 C PHE A1897 22.805 -20.257 46.108 1.00 90.79 C ATOM 1010 O PHE A1897 22.305 -19.304 46.713 1.00 90.21 O ATOM 1011 CB PHE A1897 25.195 -20.681 45.412 1.00 84.20 C ATOM 1012 CG PHE A1897 25.304 -19.288 44.829 1.00 92.33 C ATOM 1013 CD1 PHE A1897 24.881 -18.167 45.533 1.00 93.19 C ATOM 1014 CD2 PHE A1897 25.842 -19.105 43.569 1.00 94.56 C ATOM 1015 CE1 PHE A1897 24.982 -16.906 44.985 1.00 98.36 C ATOM 1016 CE2 PHE A1897 25.947 -17.838 43.021 1.00 97.35 C ATOM 1017 CZ PHE A1897 25.518 -16.739 43.731 1.00103.09 C ATOM 1018 H PHE A1897 23.774 -22.905 46.187 1.00 0.00 H ATOM 1019 N TYR A1898 22.207 -20.815 45.061 1.00 89.57 N ATOM 1020 CA TYR A1898 20.889 -20.376 44.617 1.00 88.05 C ATOM 1021 C TYR A1898 19.802 -21.142 45.361 1.00 82.13 C ATOM 1022 O TYR A1898 19.290 -20.677 46.376 1.00 88.85 O ATOM 1023 CB TYR A1898 20.734 -20.564 43.107 1.00 84.05 C ATOM 1024 CG TYR A1898 21.872 -19.987 42.299 1.00 85.19 C ATOM 1025 CD1 TYR A1898 22.933 -20.784 41.897 1.00 80.50 C ATOM 1026 CD2 TYR A1898 21.890 -18.643 41.944 1.00 91.47 C ATOM 1027 CE1 TYR A1898 23.980 -20.264 41.160 1.00 84.10 C ATOM 1028 CE2 TYR A1898 22.937 -18.113 41.205 1.00 89.98 C ATOM 1029 CZ TYR A1898 23.976 -18.932 40.812 1.00 87.13 C ATOM 1030 OH TYR A1898 25.027 -18.419 40.088 1.00 84.90 O ATOM 1031 HH TYR A1898 24.688 -18.041 39.238 1.00 0.00 H ATOM 1032 H TYR A1898 22.689 -21.581 44.548 1.00 0.00 H TER 1033 TYR A1898 HETATM 1034 O HOH 1 39.744 -20.162 40.254 1.00 45.62 O HETATM 1035 O HOH 2 36.112 -34.796 28.836 1.00 41.67 O HETATM 1036 O HOH 3 31.502 -34.043 26.020 1.00 38.46 O HETATM 1037 O HOH 4 34.323 -30.800 24.952 1.00 43.47 O HETATM 1038 O HOH 5 31.014 -37.636 27.541 1.00 31.52 O HETATM 1039 O HOH 6 31.142 -35.637 29.578 1.00 34.27 O HETATM 1040 O HOH 7 40.121 -26.077 33.081 1.00 56.61 O HETATM 1041 O HOH 8 33.864 -15.232 36.846 1.00 61.50 O HETATM 1042 O HOH 9 25.671 -11.111 38.980 1.00 75.38 O HETATM 1043 O HOH 10 23.350 -33.996 33.929 1.00 40.92 O HETATM 1044 O HOH 11 32.363 -10.822 25.240 1.00 57.31 O HETATM 1045 O HOH 12 29.803 -35.706 44.801 1.00 38.48 O HETATM 1046 O HOH 13 33.228 -34.198 28.752 1.00 35.16 O HETATM 1047 O HOH 14 30.083 -22.905 25.491 1.00 53.06 O HETATM 1048 O HOH 15 46.344 -34.188 14.285 1.00 53.54 O HETATM 1049 O HOH 16 41.368 -32.678 39.120 1.00 41.29 O HETATM 1050 O HOH 17 39.955 -35.301 30.549 1.00 35.28 O HETATM 1051 O HOH 18 38.063 -33.697 45.606 1.00 33.54 O HETATM 1052 O HOH 19 34.992 -33.617 22.123 1.00 37.18 O HETATM 1053 O HOH 20 23.532 -35.400 25.922 1.00 46.65 O HETATM 1054 O HOH 21 32.221 -34.592 46.245 1.00 40.31 O HETATM 1055 O HOH 22 20.975 -36.451 41.554 1.00 33.07 O HETATM 1056 O HOH 23 34.337 -33.260 24.919 1.00 34.95 O HETATM 1057 O HOH 24 27.742 -40.411 34.798 1.00 32.98 O HETATM 1058 O HOH 25 39.427 -35.089 48.138 1.00 56.22 O HETATM 1059 O HOH 26 26.787 -42.622 33.561 1.00 33.51 O HETATM 1060 O HOH 27 21.674 -41.465 29.418 1.00 55.96 O HETATM 1061 O HOH 28 38.139 -39.701 13.304 1.00 50.39 O HETATM 1062 O HOH 29 34.466 -41.192 17.630 1.00 55.74 O HETATM 1063 O HOH 30 33.160 -20.299 48.659 1.00 58.26 O HETATM 1064 O HOH 31 25.986 -10.708 34.129 1.00 55.34 O HETATM 1065 O HOH 32 23.660 -46.949 31.926 1.00 46.82 O HETATM 1066 O HOH 33 35.308 -48.803 32.889 1.00 49.66 O HETATM 1067 O HOH 34 33.156 -46.064 29.582 1.00 41.73 O HETATM 1068 O HOH 35 39.146 -36.350 28.102 1.00 48.10 O HETATM 1069 O HOH 36 21.166 -33.353 35.729 1.00 45.55 O HETATM 1070 O HOH 37 26.693 -38.067 35.630 1.00 30.94 O HETATM 1071 O HOH 38 40.543 -31.987 45.975 1.00 41.24 O HETATM 1072 O HOH 39 21.688 -38.287 29.593 1.00 52.95 O HETATM 1073 O HOH 40 41.232 -36.400 26.360 1.00 49.03 O HETATM 1074 O HOH 41 41.785 -35.430 38.261 1.00 52.58 O HETATM 1075 O HOH 42 40.096 -38.948 25.417 1.00 44.96 O HETATM 1076 C01 D A 8 33.863 -37.591 29.371 1.00 0.02 C HETATM 1077 N02 D A 8 34.529 -38.782 28.869 1.00 -0.27 N HETATM 1078 C03 D A 8 35.958 -39.020 29.230 1.00 0.05 C HETATM 1079 C04 D A 8 36.679 -40.266 28.722 1.00 0.07 C HETATM 1080 C05 D A 8 35.955 -41.241 27.847 1.00 -0.01 C HETATM 1081 C06 D A 8 34.518 -41.008 27.479 1.00 0.04 C HETATM 1082 C07 D A 8 33.792 -39.755 28.002 1.00 0.18 C HETATM 1083 O08 D A 8 32.654 -39.557 27.715 1.00 -0.40 O HETATM 1084 H9 D A 8 33.951 -41.879 27.839 1.00 0.05 H HETATM 1085 H10 D A 8 34.472 -40.969 26.381 1.00 0.05 H HETATM 1086 H7 D A 8 35.997 -42.215 28.357 1.00 0.03 H HETATM 1087 H8 D A 8 36.518 -41.297 26.903 1.00 0.03 H HETATM 1088 C09 D A 8 38.140 -40.465 29.120 1.00 0.18 C HETATM 1089 N11 D A 8 38.827 -39.348 29.749 1.00 -0.28 N HETATM 1090 C12 D A 8 40.215 -39.451 30.163 1.00 0.07 C HETATM 1091 C13 D A 8 41.139 -38.932 29.059 1.00 -0.01 C HETATM 1092 N14 D A 8 42.365 -39.718 29.049 1.00 0.22 N HETATM 1093 H16 D A 8 42.976 -39.378 28.323 1.00 0.20 H HETATM 1094 H17 D A 8 42.142 -40.686 28.876 1.00 0.20 H HETATM 1095 H18 D A 8 42.825 -39.634 29.942 1.00 0.20 H HETATM 1096 H13 D A 8 41.381 -37.876 29.249 1.00 0.08 H HETATM 1097 H14 D A 8 40.636 -39.024 28.085 1.00 0.08 H HETATM 1098 H11 D A 8 40.367 -38.854 31.074 1.00 0.06 H HETATM 1099 H12 D A 8 40.454 -40.504 30.371 1.00 0.06 H HETATM 1100 H15 D A 8 38.333 -38.492 29.899 1.00 0.19 H HETATM 1101 O10 D A 8 38.686 -41.498 28.909 1.00 -0.40 O HETATM 1102 H6 D A 8 36.357 -40.829 29.610 1.00 0.06 H HETATM 1103 H4 D A 8 36.526 -38.153 28.863 1.00 0.06 H HETATM 1104 H5 D A 8 36.006 -39.051 30.328 1.00 0.06 H HETATM 1105 H1 D A 8 34.566 -37.008 29.984 1.00 0.05 H HETATM 1106 H2 D A 8 32.999 -37.885 29.985 1.00 0.05 H HETATM 1107 H3 D A 8 33.520 -36.978 28.524 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1076 1077 1105 1106 1107 CONECT 1077 1076 1078 1082 CONECT 1078 1077 1079 1103 1104 CONECT 1079 1078 1080 1088 1102 CONECT 1080 1079 1081 1086 1087 CONECT 1081 1080 1082 1084 1085 CONECT 1082 1077 1081 1083 CONECT 1083 1082 CONECT 1084 1081 CONECT 1085 1081 CONECT 1086 1080 CONECT 1087 1080 CONECT 1088 1079 1089 1101 CONECT 1089 1088 1090 1100 CONECT 1090 1089 1091 1098 1099 CONECT 1091 1090 1092 1096 1097 CONECT 1092 1091 1093 1094 1095 CONECT 1093 1092 CONECT 1094 1092 CONECT 1095 1092 CONECT 1096 1091 CONECT 1097 1091 CONECT 1098 1090 CONECT 1099 1090 CONECT 1100 1089 CONECT 1101 1088 CONECT 1102 1079 CONECT 1103 1078 CONECT 1104 1078 CONECT 1105 1076 CONECT 1106 1076 CONECT 1107 1076 MASTER 0 0 0 0 0 0 0 0 1106 1 36 8 END
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Related entries of code: 6fg6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4qbm
RCSB PDB
PDBbind
106aa, >4QBM_1|Chains... *
5mgj
RCSB PDB
PDBbind
105aa, >5MGJ_1|Chain... at 100%
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%
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
6fh6
RCSB PDB
PDBbind
D8Q
Entry Information
PDB ID
6fg6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BAZ2A bromodomain
Ligand Name
D8Q
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=400uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ChemMedChem Vol. 13: pp. 1479-1487
Ligand Properties
Formula
C
9
H
1
8
N
3
O
2
Molecular Weight
200.258
Exact Mass
200.140
No. of atoms
32
No. of bonds
32
Polar Surface Area
77.05
LOGP Value
-1.87 (
Computed with XLOGP3
)
-1.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
[NH3+]CCNC(=O)[C@@H]1CCC(=O)N(C1)C
InChI String
InChI=1S/C9H17N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h7H,2-6,10H2,1H3,(H,11,14)/p+1/t7-/m1/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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