Browse entries in the PDBbind-CN Database
HEADER 5MGK_COMPLEX COMPND 5MGK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 HIS SER ASP LEU THR PHE CYS GLU ILE ILE LEU MET GLU SEQRES 2 A 103 MET GLU SER HIS ASP ALA ALA TRP PRO PHE LEU GLU PRO SEQRES 3 A 103 VAL ASN PRO ARG LEU VAL SER GLY TYR ARG ARG ILE ILE SEQRES 4 A 103 LYS ASN PRO MET ASP PHE SER THR MET ARG GLU ARG LEU SEQRES 5 A 103 LEU ARG GLY GLY TYR THR SER SER GLU GLU PHE ALA ALA SEQRES 6 A 103 ASP ALA LEU LEU VAL PHE ASP ASN CYS GLN THR PHE ASN SEQRES 7 A 103 GLU ASP ASP SER GLU VAL GLY LYS ALA GLY HIS ILE MET SEQRES 8 A 103 ARG ARG PHE PHE GLU SER ARG TRP GLU GLU PHE TYR HET UNN A 172 24 ATOM 1 N HIS A1796 -115.690 72.438 39.978 1.00108.83 N ATOM 2 CA HIS A1796 -114.494 71.723 39.552 1.00105.09 C ATOM 3 C HIS A1796 -113.826 71.072 40.772 1.00103.09 C ATOM 4 O HIS A1796 -112.670 70.643 40.719 1.00100.72 O ATOM 5 CB HIS A1796 -113.564 72.670 38.793 1.00106.94 C ATOM 6 CG HIS A1796 -112.566 73.349 39.666 1.00108.81 C ATOM 7 ND1 HIS A1796 -112.946 74.251 40.633 1.00111.86 N ATOM 8 CD2 HIS A1796 -111.218 73.257 39.740 1.00108.46 C ATOM 9 CE1 HIS A1796 -111.874 74.694 41.262 1.00113.54 C ATOM 10 NE2 HIS A1796 -110.812 74.107 40.740 1.00111.54 N ATOM 11 HN3 HIS A1796 -115.427 73.174 40.664 1.00 0.00 H ATOM 12 HN2 HIS A1796 -116.352 71.770 40.422 1.00 0.00 H ATOM 13 HN1 HIS A1796 -116.142 72.879 39.151 1.00 0.00 H ATOM 14 N SER A1797 -114.592 70.992 41.863 1.00104.38 N ATOM 15 CA SER A1797 -114.351 69.995 42.890 1.00102.99 C ATOM 16 C SER A1797 -114.713 68.674 42.233 1.00 99.19 C ATOM 17 O SER A1797 -114.264 67.605 42.640 1.00 97.08 O ATOM 18 CB SER A1797 -115.188 70.254 44.139 1.00105.09 C ATOM 19 OG SER A1797 -116.461 70.778 43.801 1.00107.49 O ATOM 20 HG SER A1797 -116.982 70.936 44.628 1.00 0.00 H ATOM 21 H SER A1797 -115.380 71.660 41.980 1.00 0.00 H ATOM 22 N ASP A1798 -115.560 68.795 41.215 1.00101.02 N ATOM 23 CA ASP A1798 -115.852 67.756 40.242 1.00 98.53 C ATOM 24 C ASP A1798 -114.585 67.199 39.603 1.00 93.94 C ATOM 25 O ASP A1798 -114.197 66.062 39.868 1.00 92.35 O ATOM 26 CB ASP A1798 -116.770 68.319 39.160 1.00 99.21 C ATOM 27 CG ASP A1798 -118.230 68.188 39.514 1.00100.73 C ATOM 28 OD1 ASP A1798 -118.537 67.852 40.677 1.00 99.91 O ATOM 29 OD2 ASP A1798 -119.071 68.417 38.625 1.00103.25 O ATOM 30 H ASP A1798 -116.052 69.705 41.107 1.00 0.00 H ATOM 31 N LEU A1799 -113.930 68.012 38.777 1.00 89.96 N ATOM 32 CA LEU A1799 -112.785 67.541 38.005 1.00 82.66 C ATOM 33 C LEU A1799 -111.536 67.355 38.856 1.00 75.72 C ATOM 34 O LEU A1799 -110.562 66.750 38.410 1.00 71.00 O ATOM 35 CB LEU A1799 -112.485 68.493 36.846 1.00 82.53 C ATOM 36 CG LEU A1799 -112.812 67.935 35.457 1.00 76.81 C ATOM 37 CD1 LEU A1799 -114.289 67.592 35.345 1.00 75.19 C ATOM 38 CD2 LEU A1799 -112.396 68.907 34.364 1.00 76.79 C ATOM 39 H LEU A1799 -114.240 69.000 38.680 1.00 0.00 H ATOM 40 N THR A1800 -111.562 67.877 40.076 1.00 73.36 N ATOM 41 CA THR A1800 -110.498 67.598 41.028 1.00 69.20 C ATOM 42 C THR A1800 -110.675 66.184 41.558 1.00 63.93 C ATOM 43 O THR A1800 -109.707 65.442 41.716 1.00 62.14 O ATOM 44 CB THR A1800 -110.492 68.594 42.197 1.00 70.67 C ATOM 45 OG1 THR A1800 -110.316 69.924 41.693 1.00 73.09 O ATOM 46 CG2 THR A1800 -109.366 68.271 43.167 1.00 70.06 C ATOM 47 HG1 THR A1800 -111.059 70.143 41.077 1.00 0.00 H ATOM 48 H THR A1800 -112.352 68.493 40.355 1.00 0.00 H ATOM 49 N PHE A1801 -111.923 65.813 41.820 1.00 63.17 N ATOM 50 CA PHE A1801 -112.222 64.469 42.288 1.00 60.39 C ATOM 51 C PHE A1801 -111.962 63.437 41.197 1.00 55.47 C ATOM 52 O PHE A1801 -111.555 62.313 41.487 1.00 52.45 O ATOM 53 CB PHE A1801 -113.669 64.361 42.767 1.00 63.78 C ATOM 54 CG PHE A1801 -114.001 63.026 43.361 1.00 64.36 C ATOM 55 CD1 PHE A1801 -113.494 62.660 44.597 1.00 66.20 C ATOM 56 CD2 PHE A1801 -114.798 62.125 42.676 1.00 63.36 C ATOM 57 CE1 PHE A1801 -113.788 61.428 45.144 1.00 64.60 C ATOM 58 CE2 PHE A1801 -115.096 60.891 43.218 1.00 62.60 C ATOM 59 CZ PHE A1801 -114.587 60.541 44.453 1.00 62.32 C ATOM 60 H PHE A1801 -112.698 66.494 41.689 1.00 0.00 H ATOM 61 N CYS A1802 -112.204 63.819 39.945 1.00 54.00 N ATOM 62 CA CYS A1802 -111.934 62.934 38.817 1.00 50.52 C ATOM 63 C CYS A1802 -110.450 62.596 38.766 1.00 48.46 C ATOM 64 O CYS A1802 -110.070 61.466 38.470 1.00 46.11 O ATOM 65 CB CYS A1802 -112.379 63.571 37.498 1.00 51.19 C ATOM 66 SG CYS A1802 -114.166 63.789 37.331 1.00 50.63 S ATOM 67 H CYS A1802 -112.593 64.767 39.767 1.00 0.00 H ATOM 68 N GLU A1803 -109.619 63.589 39.064 1.00 51.43 N ATOM 69 CA GLU A1803 -108.179 63.387 39.153 1.00 51.92 C ATOM 70 C GLU A1803 -107.835 62.459 40.313 1.00 49.39 C ATOM 71 O GLU A1803 -106.979 61.583 40.186 1.00 46.13 O ATOM 72 CB GLU A1803 -107.459 64.727 39.315 1.00 58.32 C ATOM 73 CG GLU A1803 -105.971 64.604 39.595 1.00 60.76 C ATOM 74 CD GLU A1803 -105.238 63.809 38.534 1.00 60.26 C ATOM 75 OE1 GLU A1803 -105.463 64.067 37.333 1.00 60.30 O ATOM 76 OE2 GLU A1803 -104.436 62.925 38.903 1.00 60.37 O ATOM 77 H GLU A1803 -110.008 64.538 39.239 1.00 0.00 H ATOM 78 N ILE A1804 -108.511 62.656 41.441 1.00 49.63 N ATOM 79 CA ILE A1804 -108.282 61.839 42.627 1.00 47.62 C ATOM 80 C ILE A1804 -108.624 60.375 42.370 1.00 42.77 C ATOM 81 O ILE A1804 -107.827 59.482 42.656 1.00 40.93 O ATOM 82 CB ILE A1804 -109.108 62.341 43.830 1.00 48.48 C ATOM 83 CG1 ILE A1804 -108.678 63.753 44.225 1.00 49.60 C ATOM 84 CG2 ILE A1804 -108.959 61.396 45.012 1.00 40.93 C ATOM 85 CD1 ILE A1804 -109.464 64.333 45.380 1.00 50.14 C ATOM 86 H ILE A1804 -109.223 63.414 41.478 1.00 0.00 H ATOM 87 N ILE A1805 -109.809 60.136 41.820 1.00 42.53 N ATOM 88 CA ILE A1805 -110.295 58.776 41.630 1.00 40.63 C ATOM 89 C ILE A1805 -109.575 58.070 40.477 1.00 39.96 C ATOM 90 O ILE A1805 -109.429 56.848 40.489 1.00 37.20 O ATOM 91 CB ILE A1805 -111.825 58.760 41.393 1.00 41.75 C ATOM 92 CG1 ILE A1805 -112.373 57.333 41.461 1.00 40.15 C ATOM 93 CG2 ILE A1805 -112.185 59.428 40.076 1.00 43.16 C ATOM 94 CD1 ILE A1805 -113.882 57.264 41.459 1.00 41.04 C ATOM 95 H ILE A1805 -110.402 60.936 41.519 1.00 0.00 H ATOM 96 N LEU A1806 -109.108 58.836 39.495 1.00 41.92 N ATOM 97 CA LEU A1806 -108.361 58.255 38.384 1.00 41.42 C ATOM 98 C LEU A1806 -106.987 57.806 38.863 1.00 39.87 C ATOM 99 O LEU A1806 -106.531 56.714 38.529 1.00 37.25 O ATOM 100 CB LEU A1806 -108.224 59.249 37.228 1.00 42.82 C ATOM 101 CG LEU A1806 -107.514 58.724 35.978 1.00 41.11 C ATOM 102 CD1 LEU A1806 -108.140 57.416 35.514 1.00 38.05 C ATOM 103 CD2 LEU A1806 -107.542 59.757 34.861 1.00 42.46 C ATOM 104 H LEU A1806 -109.277 59.862 39.519 1.00 0.00 H ATOM 105 N MET A1807 -106.334 58.657 39.649 1.00 41.91 N ATOM 106 CA MET A1807 -105.033 58.346 40.230 1.00 41.53 C ATOM 107 C MET A1807 -105.123 57.128 41.143 1.00 40.58 C ATOM 108 O MET A1807 -104.244 56.265 41.148 1.00 40.25 O ATOM 109 CB MET A1807 -104.501 59.557 41.003 1.00 44.50 C ATOM 110 CG MET A1807 -103.531 59.224 42.126 1.00 44.55 C ATOM 111 SD MET A1807 -103.082 60.679 43.094 1.00 61.10 S ATOM 112 CE MET A1807 -104.697 61.264 43.603 1.00 43.18 C ATOM 113 H MET A1807 -106.767 59.579 39.857 1.00 0.00 H ATOM 114 N GLU A1808 -106.195 57.072 41.926 1.00 40.05 N ATOM 115 CA GLU A1808 -106.420 55.948 42.827 1.00 39.38 C ATOM 116 C GLU A1808 -106.664 54.668 42.035 1.00 35.85 C ATOM 117 O GLU A1808 -106.251 53.585 42.447 1.00 34.10 O ATOM 118 CB GLU A1808 -107.599 56.225 43.762 1.00 41.09 C ATOM 119 CG GLU A1808 -107.287 57.204 44.882 1.00 43.42 C ATOM 120 CD GLU A1808 -108.453 57.392 45.834 1.00 44.84 C ATOM 121 OE1 GLU A1808 -109.542 56.847 45.555 1.00 43.29 O ATOM 122 OE2 GLU A1808 -108.281 58.083 46.860 1.00 47.94 O ATOM 123 H GLU A1808 -106.888 57.846 41.896 1.00 0.00 H ATOM 124 N MET A1809 -107.335 54.798 40.894 1.00 34.98 N ATOM 125 CA MET A1809 -107.571 53.651 40.027 1.00 33.32 C ATOM 126 C MET A1809 -106.289 53.236 39.315 1.00 33.72 C ATOM 127 O MET A1809 -106.018 52.050 39.166 1.00 33.01 O ATOM 128 CB MET A1809 -108.670 53.951 39.007 1.00 32.36 C ATOM 129 CG MET A1809 -110.080 53.866 39.573 1.00 32.23 C ATOM 130 SD MET A1809 -111.352 53.882 38.295 1.00 47.28 S ATOM 131 CE MET A1809 -111.043 55.471 37.528 1.00 37.68 C ATOM 132 H MET A1809 -107.697 55.733 40.616 1.00 0.00 H ATOM 133 N GLU A1810 -105.501 54.217 38.883 1.00 35.37 N ATOM 134 CA GLU A1810 -104.237 53.947 38.201 1.00 36.20 C ATOM 135 C GLU A1810 -103.249 53.190 39.087 1.00 35.00 C ATOM 136 O GLU A1810 -102.479 52.359 38.603 1.00 33.57 O ATOM 137 CB GLU A1810 -103.597 55.253 37.723 1.00 38.85 C ATOM 138 CG GLU A1810 -104.261 55.875 36.505 1.00 40.44 C ATOM 139 CD GLU A1810 -103.811 57.304 36.266 1.00 43.49 C ATOM 140 OE1 GLU A1810 -103.377 57.961 37.235 1.00 47.25 O ATOM 141 OE2 GLU A1810 -103.890 57.772 35.111 1.00 43.05 O ATOM 142 H GLU A1810 -105.793 55.204 39.035 1.00 0.00 H ATOM 143 N SER A1811 -103.278 53.479 40.384 1.00 39.17 N ATOM 144 CA SER A1811 -102.324 52.895 41.322 1.00 40.10 C ATOM 145 C SER A1811 -102.886 51.670 42.039 1.00 39.51 C ATOM 146 O SER A1811 -102.222 51.085 42.896 1.00 41.09 O ATOM 147 CB SER A1811 -101.888 53.941 42.349 1.00 41.36 C ATOM 148 OG SER A1811 -102.994 54.400 43.107 1.00 43.16 O ATOM 149 HG SER A1811 -103.661 54.808 42.501 1.00 0.00 H ATOM 150 H SER A1811 -103.999 54.138 40.740 1.00 0.00 H ATOM 151 N HIS A1812 -104.108 51.285 41.687 1.00 37.74 N ATOM 152 CA HIS A1812 -104.760 50.140 42.314 1.00 35.62 C ATOM 153 C HIS A1812 -104.070 48.836 41.916 1.00 35.59 C ATOM 154 O HIS A1812 -103.521 48.726 40.820 1.00 34.92 O ATOM 155 CB HIS A1812 -106.241 50.098 41.933 1.00 34.12 C ATOM 156 CG HIS A1812 -107.083 49.274 42.858 1.00 33.08 C ATOM 157 ND1 HIS A1812 -107.067 47.897 42.853 1.00 32.77 N ATOM 158 CD2 HIS A1812 -107.973 49.637 43.812 1.00 33.19 C ATOM 159 CE1 HIS A1812 -107.908 47.445 43.767 1.00 32.60 C ATOM 160 NE2 HIS A1812 -108.470 48.481 44.363 1.00 32.89 N ATOM 161 H HIS A1812 -104.612 51.813 40.946 1.00 0.00 H ATOM 162 N ASP A1813 -104.100 47.856 42.815 1.00 35.34 N ATOM 163 CA ASP A1813 -103.467 46.562 42.572 1.00 35.99 C ATOM 164 C ASP A1813 -104.095 45.813 41.398 1.00 34.76 C ATOM 165 O ASP A1813 -103.402 45.123 40.652 1.00 34.21 O ATOM 166 CB ASP A1813 -103.537 45.688 43.829 1.00 36.66 C ATOM 167 CG ASP A1813 -102.678 46.218 44.961 1.00 37.66 C ATOM 168 OD1 ASP A1813 -101.816 47.085 44.706 1.00 37.62 O ATOM 169 OD2 ASP A1813 -102.863 45.762 46.109 1.00 38.46 O ATOM 170 H ASP A1813 -104.589 48.016 43.719 1.00 0.00 H ATOM 171 N ALA A1814 -105.407 45.953 41.240 1.00 33.78 N ATOM 172 CA ALA A1814 -106.139 45.217 40.213 1.00 32.30 C ATOM 173 C ALA A1814 -106.292 46.020 38.924 1.00 30.33 C ATOM 174 O ALA A1814 -107.136 45.705 38.086 1.00 28.42 O ATOM 175 CB ALA A1814 -107.507 44.808 40.740 1.00 26.08 C ATOM 176 H ALA A1814 -105.926 46.604 41.864 1.00 0.00 H ATOM 177 N ALA A1815 -105.465 47.047 38.761 1.00 31.31 N ATOM 178 CA ALA A1815 -105.598 47.963 37.633 1.00 31.53 C ATOM 179 C ALA A1815 -104.790 47.538 36.413 1.00 32.81 C ATOM 180 O ALA A1815 -104.888 48.162 35.356 1.00 33.87 O ATOM 181 CB ALA A1815 -105.189 49.353 38.051 1.00 31.79 C ATOM 182 H ALA A1815 -104.705 47.202 39.454 1.00 0.00 H ATOM 183 N TRP A1816 -104.002 46.477 36.555 1.00 33.60 N ATOM 184 CA TRP A1816 -103.088 46.056 35.493 1.00 35.47 C ATOM 185 C TRP A1816 -103.729 45.747 34.122 1.00 33.54 C ATOM 186 O TRP A1816 -103.073 45.934 33.098 1.00 35.39 O ATOM 187 CB TRP A1816 -102.270 44.841 35.960 1.00 37.78 C ATOM 188 CG TRP A1816 -103.081 43.666 36.409 1.00 38.87 C ATOM 189 CD1 TRP A1816 -103.567 43.436 37.663 1.00 38.51 C ATOM 190 CD2 TRP A1816 -103.489 42.550 35.608 1.00 38.47 C ATOM 191 NE1 TRP A1816 -104.260 42.249 37.691 1.00 37.45 N ATOM 192 CE2 TRP A1816 -104.229 41.687 36.442 1.00 37.31 C ATOM 193 CE3 TRP A1816 -103.310 42.202 34.266 1.00 38.98 C ATOM 194 CZ2 TRP A1816 -104.784 40.496 35.979 1.00 36.60 C ATOM 195 CZ3 TRP A1816 -103.863 41.019 33.808 1.00 38.12 C ATOM 196 CH2 TRP A1816 -104.591 40.180 34.662 1.00 38.01 C ATOM 197 HE1 TRP A1816 -104.731 41.844 38.525 1.00 0.00 H ATOM 198 H TRP A1816 -104.036 45.934 37.441 1.00 0.00 H ATOM 199 N PRO A1817 -104.996 45.283 34.076 1.00 31.68 N ATOM 200 CA PRO A1817 -105.482 45.063 32.708 1.00 31.21 C ATOM 201 C PRO A1817 -105.953 46.340 32.011 1.00 31.00 C ATOM 202 O PRO A1817 -106.197 46.312 30.804 1.00 30.34 O ATOM 203 CB PRO A1817 -106.668 44.103 32.900 1.00 31.22 C ATOM 204 CG PRO A1817 -106.579 43.619 34.319 1.00 30.57 C ATOM 205 CD PRO A1817 -105.938 44.735 35.067 1.00 30.44 C ATOM 206 N PHE A1818 -106.070 47.438 32.752 1.00 30.53 N ATOM 207 CA PHE A1818 -106.719 48.635 32.224 1.00 30.83 C ATOM 208 C PHE A1818 -105.805 49.856 32.153 1.00 32.25 C ATOM 209 O PHE A1818 -106.259 50.957 31.844 1.00 32.56 O ATOM 210 CB PHE A1818 -107.948 48.965 33.071 1.00 29.40 C ATOM 211 CG PHE A1818 -108.759 47.760 33.445 1.00 28.52 C ATOM 212 CD1 PHE A1818 -109.569 47.138 32.511 1.00 27.81 C ATOM 213 CD2 PHE A1818 -108.702 47.242 34.728 1.00 27.52 C ATOM 214 CE1 PHE A1818 -110.312 46.026 32.849 1.00 26.70 C ATOM 215 CE2 PHE A1818 -109.443 46.129 35.073 1.00 26.41 C ATOM 216 CZ PHE A1818 -110.248 45.521 34.130 1.00 26.44 C ATOM 217 H PHE A1818 -105.694 47.444 33.722 1.00 0.00 H ATOM 218 N LEU A1819 -104.521 49.662 32.436 1.00 34.20 N ATOM 219 CA LEU A1819 -103.566 50.765 32.407 1.00 35.98 C ATOM 220 C LEU A1819 -103.312 51.247 30.982 1.00 39.06 C ATOM 221 O LEU A1819 -103.217 52.447 30.731 1.00 38.93 O ATOM 222 CB LEU A1819 -102.246 50.351 33.063 1.00 35.58 C ATOM 223 CG LEU A1819 -102.312 49.999 34.551 1.00 34.80 C ATOM 224 CD1 LEU A1819 -100.946 49.567 35.066 1.00 35.33 C ATOM 225 CD2 LEU A1819 -102.846 51.173 35.357 1.00 34.00 C ATOM 226 H LEU A1819 -104.191 48.707 32.683 1.00 0.00 H ATOM 227 N GLU A1820 -103.206 50.304 30.052 1.00 41.34 N ATOM 228 CA GLU A1820 -102.948 50.625 28.653 1.00 44.52 C ATOM 229 C GLU A1820 -104.042 50.051 27.756 1.00 42.46 C ATOM 230 O GLU A1820 -104.720 49.098 28.142 1.00 41.31 O ATOM 231 CB GLU A1820 -101.574 50.093 28.233 1.00 48.21 C ATOM 232 CG GLU A1820 -100.405 50.779 28.923 1.00 51.63 C ATOM 233 CD GLU A1820 -100.314 52.256 28.586 1.00 54.09 C ATOM 234 OE1 GLU A1820 -100.652 52.629 27.443 1.00 55.48 O ATOM 235 OE2 GLU A1820 -99.905 53.044 29.465 1.00 55.82 O ATOM 236 H GLU A1820 -103.310 49.307 30.330 1.00 0.00 H ATOM 237 N PRO A1821 -104.229 50.640 26.561 1.00 43.14 N ATOM 238 CA PRO A1821 -105.204 50.108 25.603 1.00 41.68 C ATOM 239 C PRO A1821 -104.922 48.653 25.245 1.00 41.64 C ATOM 240 O PRO A1821 -103.759 48.259 25.148 1.00 43.69 O ATOM 241 CB PRO A1821 -105.026 51.009 24.377 1.00 43.80 C ATOM 242 CG PRO A1821 -104.470 52.276 24.917 1.00 44.79 C ATOM 243 CD PRO A1821 -103.601 51.882 26.074 1.00 44.39 C ATOM 244 N VAL A1822 -105.976 47.867 25.062 1.00 38.44 N ATOM 245 CA VAL A1822 -105.831 46.477 24.652 1.00 37.95 C ATOM 246 C VAL A1822 -105.228 46.397 23.253 1.00 37.94 C ATOM 247 O VAL A1822 -105.675 47.088 22.340 1.00 37.00 O ATOM 248 CB VAL A1822 -107.184 45.741 24.671 1.00 36.58 C ATOM 249 CG1 VAL A1822 -107.036 44.330 24.125 1.00 36.51 C ATOM 250 CG2 VAL A1822 -107.754 45.717 26.080 1.00 35.59 C ATOM 251 H VAL A1822 -106.929 48.254 25.215 1.00 0.00 H ATOM 252 N ASN A1823 -104.204 45.563 23.096 1.00 38.85 N ATOM 253 CA ASN A1823 -103.575 45.358 21.796 1.00 40.10 C ATOM 254 C ASN A1823 -104.319 44.290 21.001 1.00 38.97 C ATOM 255 O ASN A1823 -104.225 43.103 21.312 1.00 38.85 O ATOM 256 CB ASN A1823 -102.104 44.966 21.969 1.00 42.12 C ATOM 257 CG ASN A1823 -101.303 45.107 20.684 1.00 44.06 C ATOM 258 OD1 ASN A1823 -101.861 45.140 19.588 1.00 44.20 O ATOM 259 ND2 ASN A1823 -99.984 45.188 20.819 1.00 45.35 N ATOM 260 HD22 ASN A1823 -99.555 45.156 21.766 1.00 0.00 H ATOM 261 HD21 ASN A1823 -99.380 45.284 19.978 1.00 0.00 H ATOM 262 H ASN A1823 -103.842 45.044 23.921 1.00 0.00 H ATOM 263 N PRO A1824 -105.058 44.712 19.962 1.00 39.25 N ATOM 264 CA PRO A1824 -105.883 43.799 19.163 1.00 38.80 C ATOM 265 C PRO A1824 -105.052 42.751 18.427 1.00 40.35 C ATOM 266 O PRO A1824 -105.567 41.686 18.090 1.00 41.64 O ATOM 267 CB PRO A1824 -106.584 44.736 18.175 1.00 39.21 C ATOM 268 CG PRO A1824 -105.675 45.908 18.062 1.00 40.01 C ATOM 269 CD PRO A1824 -105.075 46.084 19.425 1.00 39.41 C ATOM 270 N ARG A1825 -103.781 43.056 18.186 1.00 40.92 N ATOM 271 CA ARG A1825 -102.871 42.105 17.559 1.00 43.31 C ATOM 272 C ARG A1825 -102.587 40.931 18.492 1.00 42.83 C ATOM 273 O ARG A1825 -102.336 39.813 18.043 1.00 44.24 O ATOM 274 CB ARG A1825 -101.558 42.787 17.168 1.00 45.08 C ATOM 275 CG ARG A1825 -101.685 43.850 16.089 1.00 40.22 C ATOM 276 CD ARG A1825 -100.353 44.553 15.871 1.00 43.26 C ATOM 277 NE ARG A1825 -100.388 45.493 14.755 1.00 42.18 N ATOM 278 CZ ARG A1825 -99.379 46.295 14.426 1.00 43.49 C ATOM 279 NH1 ARG A1825 -98.257 46.274 15.132 1.00 43.76 N ATOM 280 NH2 ARG A1825 -99.492 47.120 13.394 1.00 44.04 N ATOM 281 HE ARG A1825 -101.255 45.539 14.182 1.00 0.00 H ATOM 282 HH12 ARG A1825 -97.469 46.901 14.874 1.00 0.00 H ATOM 283 HH11 ARG A1825 -98.165 45.630 15.944 1.00 0.00 H ATOM 284 HH22 ARG A1825 -98.701 47.746 13.139 1.00 0.00 H ATOM 285 HH21 ARG A1825 -100.371 47.141 12.839 1.00 0.00 H ATOM 286 H ARG A1825 -103.427 43.997 18.451 1.00 0.00 H ATOM 287 N LEU A1826 -102.632 41.196 19.793 1.00 42.03 N ATOM 288 CA LEU A1826 -102.295 40.192 20.796 1.00 41.86 C ATOM 289 C LEU A1826 -103.532 39.513 21.369 1.00 42.08 C ATOM 290 O LEU A1826 -103.443 38.437 21.961 1.00 44.29 O ATOM 291 CB LEU A1826 -101.486 40.828 21.926 1.00 41.77 C ATOM 292 CG LEU A1826 -100.144 41.434 21.519 1.00 43.86 C ATOM 293 CD1 LEU A1826 -99.527 42.203 22.677 1.00 43.37 C ATOM 294 CD2 LEU A1826 -99.207 40.345 21.033 1.00 45.70 C ATOM 295 H LEU A1826 -102.916 42.147 20.105 1.00 0.00 H ATOM 296 N VAL A1827 -104.686 40.147 21.197 1.00 41.98 N ATOM 297 CA VAL A1827 -105.925 39.629 21.759 1.00 42.12 C ATOM 298 C VAL A1827 -106.929 39.307 20.658 1.00 43.84 C ATOM 299 O VAL A1827 -107.557 40.202 20.092 1.00 43.58 O ATOM 300 CB VAL A1827 -106.545 40.626 22.751 1.00 40.45 C ATOM 301 CG1 VAL A1827 -107.770 40.024 23.400 1.00 39.65 C ATOM 302 CG2 VAL A1827 -105.524 41.016 23.809 1.00 40.15 C ATOM 303 H VAL A1827 -104.705 41.031 20.650 1.00 0.00 H ATOM 304 N SER A1828 -107.073 38.018 20.366 1.00 45.89 N ATOM 305 CA SER A1828 -107.927 37.558 19.277 1.00 47.43 C ATOM 306 C SER A1828 -109.403 37.855 19.523 1.00 46.21 C ATOM 307 O SER A1828 -109.962 37.472 20.551 1.00 44.18 O ATOM 308 CB SER A1828 -107.734 36.056 19.054 1.00 50.09 C ATOM 309 OG SER A1828 -108.627 35.566 18.069 1.00 55.19 O ATOM 310 HG SER A1828 -108.480 34.595 17.946 1.00 0.00 H ATOM 311 H SER A1828 -106.559 37.314 20.933 1.00 0.00 H ATOM 312 N GLY A1829 -110.025 38.544 18.571 1.00 45.78 N ATOM 313 CA GLY A1829 -111.453 38.799 18.619 1.00 43.50 C ATOM 314 C GLY A1829 -111.850 40.092 19.305 1.00 39.54 C ATOM 315 O GLY A1829 -113.021 40.469 19.285 1.00 38.10 O ATOM 316 H GLY A1829 -109.473 38.910 17.770 1.00 0.00 H ATOM 317 N TYR A1830 -110.883 40.778 19.906 1.00 38.87 N ATOM 318 CA TYR A1830 -111.176 41.991 20.665 1.00 38.25 C ATOM 319 C TYR A1830 -111.669 43.119 19.763 1.00 40.47 C ATOM 320 O TYR A1830 -112.600 43.844 20.116 1.00 39.25 O ATOM 321 CB TYR A1830 -109.946 42.453 21.446 1.00 37.61 C ATOM 322 CG TYR A1830 -110.274 43.437 22.546 1.00 37.23 C ATOM 323 CD1 TYR A1830 -110.673 42.995 23.801 1.00 36.45 C ATOM 324 CD2 TYR A1830 -110.199 44.806 22.327 1.00 38.00 C ATOM 325 CE1 TYR A1830 -110.981 43.888 24.809 1.00 35.47 C ATOM 326 CE2 TYR A1830 -110.506 45.707 23.329 1.00 37.22 C ATOM 327 CZ TYR A1830 -110.895 45.243 24.568 1.00 35.92 C ATOM 328 OH TYR A1830 -111.201 46.135 25.570 1.00 34.56 O ATOM 329 HH TYR A1830 -111.459 45.637 26.386 1.00 0.00 H ATOM 330 H TYR A1830 -109.900 40.445 19.835 1.00 0.00 H ATOM 331 N ARG A1831 -111.033 43.263 18.605 1.00 43.48 N ATOM 332 CA ARG A1831 -111.419 44.272 17.625 1.00 46.55 C ATOM 333 C ARG A1831 -112.871 44.089 17.198 1.00 43.85 C ATOM 334 O ARG A1831 -113.619 45.056 17.049 1.00 42.41 O ATOM 335 CB ARG A1831 -110.497 44.201 16.405 1.00 51.71 C ATOM 336 CG ARG A1831 -110.853 45.162 15.283 1.00 57.40 C ATOM 337 CD ARG A1831 -110.120 44.801 13.998 1.00 65.16 C ATOM 338 NE ARG A1831 -108.689 44.598 14.214 1.00 70.26 N ATOM 339 CZ ARG A1831 -107.797 45.580 14.300 1.00 72.56 C ATOM 340 NH1 ARG A1831 -108.182 46.844 14.188 1.00 74.55 N ATOM 341 NH2 ARG A1831 -106.516 45.297 14.497 1.00 74.59 N ATOM 342 HE ARG A1831 -108.346 43.621 14.307 1.00 0.00 H ATOM 343 HH12 ARG A1831 -107.481 47.609 14.256 1.00 0.00 H ATOM 344 HH11 ARG A1831 -109.185 47.070 14.032 1.00 0.00 H ATOM 345 HH22 ARG A1831 -105.818 46.065 14.564 1.00 0.00 H ATOM 346 HH21 ARG A1831 -106.210 44.307 14.584 1.00 0.00 H ATOM 347 H ARG A1831 -110.233 42.635 18.390 1.00 0.00 H ATOM 348 N ARG A1832 -113.260 42.832 17.017 1.00 42.63 N ATOM 349 CA ARG A1832 -114.594 42.480 16.546 1.00 42.02 C ATOM 350 C ARG A1832 -115.670 42.665 17.617 1.00 38.28 C ATOM 351 O ARG A1832 -116.774 43.127 17.326 1.00 37.26 O ATOM 352 CB ARG A1832 -114.593 41.033 16.043 1.00 44.24 C ATOM 353 CG ARG A1832 -115.968 40.419 15.863 1.00 45.56 C ATOM 354 CD ARG A1832 -115.874 39.002 15.314 1.00 47.08 C ATOM 355 NE ARG A1832 -114.988 38.153 16.109 1.00 47.61 N ATOM 356 CZ ARG A1832 -115.377 37.437 17.159 1.00 47.32 C ATOM 357 NH1 ARG A1832 -116.643 37.464 17.553 1.00 47.01 N ATOM 358 NH2 ARG A1832 -114.499 36.693 17.817 1.00 47.33 N ATOM 359 HE ARG A1832 -113.986 38.106 15.834 1.00 0.00 H ATOM 360 HH12 ARG A1832 -116.944 36.902 18.375 1.00 0.00 H ATOM 361 HH11 ARG A1832 -117.335 38.047 17.040 1.00 0.00 H ATOM 362 HH22 ARG A1832 -114.804 36.133 18.639 1.00 0.00 H ATOM 363 HH21 ARG A1832 -113.505 36.669 17.512 1.00 0.00 H ATOM 364 H ARG A1832 -112.585 42.067 17.220 1.00 0.00 H ATOM 365 N ILE A1833 -115.342 42.313 18.856 1.00 38.02 N ATOM 366 CA ILE A1833 -116.324 42.303 19.936 1.00 35.55 C ATOM 367 C ILE A1833 -116.494 43.669 20.607 1.00 35.39 C ATOM 368 O ILE A1833 -117.618 44.102 20.868 1.00 36.57 O ATOM 369 CB ILE A1833 -115.950 41.253 21.003 1.00 35.52 C ATOM 370 CG1 ILE A1833 -115.982 39.850 20.391 1.00 36.23 C ATOM 371 CG2 ILE A1833 -116.894 41.326 22.194 1.00 34.84 C ATOM 372 CD1 ILE A1833 -115.509 38.761 21.326 1.00 36.22 C ATOM 373 H ILE A1833 -114.360 42.038 19.061 1.00 0.00 H ATOM 374 N ILE A1834 -115.385 44.350 20.877 1.00 35.11 N ATOM 375 CA ILE A1834 -115.438 45.648 21.546 1.00 35.26 C ATOM 376 C ILE A1834 -115.456 46.802 20.546 1.00 36.47 C ATOM 377 O ILE A1834 -114.476 47.042 19.840 1.00 35.71 O ATOM 378 CB ILE A1834 -114.250 45.831 22.508 1.00 34.29 C ATOM 379 CG1 ILE A1834 -114.254 44.728 23.568 1.00 28.47 C ATOM 380 CG2 ILE A1834 -114.303 47.201 23.167 1.00 33.68 C ATOM 381 CD1 ILE A1834 -115.522 44.682 24.394 1.00 28.37 C ATOM 382 H ILE A1834 -114.463 43.952 20.607 1.00 0.00 H ATOM 383 N LYS A1835 -116.576 47.516 20.501 1.00 38.43 N ATOM 384 CA LYS A1835 -116.761 48.608 19.550 1.00 41.14 C ATOM 385 C LYS A1835 -116.080 49.894 20.007 1.00 39.26 C ATOM 386 O LYS A1835 -115.438 50.582 19.213 1.00 39.31 O ATOM 387 CB LYS A1835 -118.252 48.866 19.322 1.00 45.35 C ATOM 388 CG LYS A1835 -118.997 47.691 18.716 1.00 48.57 C ATOM 389 CD LYS A1835 -118.365 47.259 17.403 1.00 50.73 C ATOM 390 CE LYS A1835 -119.101 46.074 16.800 1.00 52.48 C ATOM 391 NZ LYS A1835 -119.134 44.914 17.732 1.00 54.55 N ATOM 392 HZ1 LYS A1835 -118.161 44.619 17.951 1.00 0.00 H ATOM 393 HZ2 LYS A1835 -119.620 45.190 18.609 1.00 0.00 H ATOM 394 HZ3 LYS A1835 -119.644 44.126 17.285 1.00 0.00 H ATOM 395 H LYS A1835 -117.345 47.290 21.164 1.00 0.00 H ATOM 396 N ASN A1836 -116.229 50.218 21.287 1.00 37.57 N ATOM 397 CA ASN A1836 -115.640 51.431 21.840 1.00 36.61 C ATOM 398 C ASN A1836 -114.659 51.128 22.967 1.00 35.07 C ATOM 399 O ASN A1836 -115.022 51.188 24.142 1.00 33.89 O ATOM 400 CB ASN A1836 -116.735 52.373 22.341 1.00 37.11 C ATOM 401 CG ASN A1836 -117.739 52.727 21.260 1.00 39.03 C ATOM 402 OD1 ASN A1836 -118.933 52.458 21.393 1.00 39.34 O ATOM 403 ND2 ASN A1836 -117.257 53.334 20.181 1.00 40.72 N ATOM 404 HD22 ASN A1836 -116.240 53.542 20.112 1.00 0.00 H ATOM 405 HD21 ASN A1836 -117.896 53.601 19.406 1.00 0.00 H ATOM 406 H ASN A1836 -116.779 49.591 21.909 1.00 0.00 H ATOM 407 N PRO A1837 -113.408 50.801 22.608 1.00 34.12 N ATOM 408 CA PRO A1837 -112.372 50.498 23.601 1.00 33.33 C ATOM 409 C PRO A1837 -112.052 51.705 24.477 1.00 32.83 C ATOM 410 O PRO A1837 -112.098 52.841 24.004 1.00 33.19 O ATOM 411 CB PRO A1837 -111.164 50.106 22.744 1.00 34.20 C ATOM 412 CG PRO A1837 -111.404 50.763 21.427 1.00 35.23 C ATOM 413 CD PRO A1837 -112.890 50.730 21.231 1.00 34.92 C ATOM 414 N MET A1838 -111.740 51.454 25.743 1.00 33.47 N ATOM 415 CA MET A1838 -111.420 52.525 26.677 1.00 33.87 C ATOM 416 C MET A1838 -110.525 52.003 27.795 1.00 34.55 C ATOM 417 O MET A1838 -110.687 50.873 28.254 1.00 34.58 O ATOM 418 CB MET A1838 -112.702 53.134 27.253 1.00 33.14 C ATOM 419 CG MET A1838 -112.476 54.336 28.158 1.00 33.53 C ATOM 420 SD MET A1838 -111.493 55.629 27.377 1.00 39.73 S ATOM 421 CE MET A1838 -112.560 56.090 26.014 1.00 32.28 C ATOM 422 H MET A1838 -111.724 50.469 26.076 1.00 0.00 H ATOM 423 N ASP A1839 -109.576 52.829 28.221 1.00 36.00 N ATOM 424 CA ASP A1839 -108.654 52.452 29.284 1.00 36.89 C ATOM 425 C ASP A1839 -108.281 53.666 30.126 1.00 36.76 C ATOM 426 O ASP A1839 -108.723 54.780 29.851 1.00 36.70 O ATOM 427 CB ASP A1839 -107.399 51.806 28.699 1.00 38.16 C ATOM 428 CG ASP A1839 -106.602 52.763 27.844 1.00 39.29 C ATOM 429 OD1 ASP A1839 -107.003 52.999 26.685 1.00 40.38 O ATOM 430 OD2 ASP A1839 -105.576 53.281 28.331 1.00 39.43 O ATOM 431 H ASP A1839 -109.489 53.769 27.784 1.00 0.00 H ATOM 432 N PHE A1840 -107.457 53.449 31.144 1.00 34.72 N ATOM 433 CA PHE A1840 -107.117 54.509 32.087 1.00 35.18 C ATOM 434 C PHE A1840 -106.180 55.556 31.485 1.00 37.67 C ATOM 435 O PHE A1840 -106.304 56.744 31.782 1.00 39.02 O ATOM 436 CB PHE A1840 -106.494 53.912 33.351 1.00 33.79 C ATOM 437 CG PHE A1840 -107.454 53.095 34.172 1.00 31.08 C ATOM 438 CD1 PHE A1840 -108.823 53.259 34.030 1.00 30.67 C ATOM 439 CD2 PHE A1840 -106.988 52.166 35.088 1.00 29.24 C ATOM 440 CE1 PHE A1840 -109.709 52.510 34.784 1.00 28.77 C ATOM 441 CE2 PHE A1840 -107.869 51.414 35.846 1.00 27.40 C ATOM 442 CZ PHE A1840 -109.231 51.586 35.693 1.00 27.03 C ATOM 443 H PHE A1840 -107.045 52.503 31.272 1.00 0.00 H ATOM 444 N SER A1841 -105.249 55.120 30.641 1.00 38.91 N ATOM 445 CA SER A1841 -104.302 56.044 30.019 1.00 41.66 C ATOM 446 C SER A1841 -105.008 56.966 29.030 1.00 42.59 C ATOM 447 O SER A1841 -104.673 58.145 28.920 1.00 43.99 O ATOM 448 CB SER A1841 -103.177 55.281 29.315 1.00 44.20 C ATOM 449 OG SER A1841 -103.671 54.532 28.218 1.00 47.29 O ATOM 450 HG SER A1841 -104.341 53.879 28.541 1.00 0.00 H ATOM 451 H SER A1841 -105.194 54.105 30.420 1.00 0.00 H ATOM 452 N THR A1842 -105.984 56.420 28.312 1.00 40.52 N ATOM 453 CA THR A1842 -106.784 57.207 27.381 1.00 39.49 C ATOM 454 C THR A1842 -107.601 58.246 28.144 1.00 37.90 C ATOM 455 O THR A1842 -107.710 59.399 27.724 1.00 38.36 O ATOM 456 CB THR A1842 -107.725 56.316 26.548 1.00 37.63 C ATOM 457 OG1 THR A1842 -106.951 55.364 25.807 1.00 36.77 O ATOM 458 CG2 THR A1842 -108.544 57.156 25.578 1.00 39.52 C ATOM 459 HG1 THR A1842 -106.433 54.801 26.435 1.00 0.00 H ATOM 460 H THR A1842 -106.182 55.405 28.417 1.00 0.00 H ATOM 461 N MET A1843 -108.168 57.829 29.273 1.00 36.60 N ATOM 462 CA MET A1843 -108.894 58.740 30.150 1.00 37.11 C ATOM 463 C MET A1843 -107.945 59.773 30.749 1.00 38.05 C ATOM 464 O MET A1843 -108.315 60.930 30.945 1.00 38.32 O ATOM 465 CB MET A1843 -109.606 57.968 31.263 1.00 35.96 C ATOM 466 CG MET A1843 -110.725 57.060 30.775 1.00 35.20 C ATOM 467 SD MET A1843 -111.372 55.993 32.077 1.00 42.23 S ATOM 468 CE MET A1843 -111.984 57.209 33.241 1.00 29.38 C ATOM 469 H MET A1843 -108.091 56.826 29.537 1.00 0.00 H ATOM 470 N ARG A1844 -106.721 59.341 31.037 1.00 39.16 N ATOM 471 CA ARG A1844 -105.694 60.224 31.581 1.00 42.10 C ATOM 472 C ARG A1844 -105.315 61.313 30.581 1.00 46.10 C ATOM 473 O ARG A1844 -105.215 62.487 30.938 1.00 46.85 O ATOM 474 CB ARG A1844 -104.456 59.417 31.983 1.00 42.11 C ATOM 475 CG ARG A1844 -103.221 60.253 32.292 1.00 43.92 C ATOM 476 CD ARG A1844 -103.472 61.238 33.423 1.00 44.71 C ATOM 477 NE ARG A1844 -103.806 60.572 34.678 1.00 43.36 N ATOM 478 CZ ARG A1844 -104.160 61.213 35.787 1.00 43.43 C ATOM 479 NH1 ARG A1844 -104.228 62.537 35.793 1.00 44.68 N ATOM 480 NH2 ARG A1844 -104.447 60.533 36.888 1.00 42.88 N ATOM 481 HE ARG A1844 -103.764 59.533 34.706 1.00 0.00 H ATOM 482 HH12 ARG A1844 -104.505 63.040 36.660 1.00 0.00 H ATOM 483 HH11 ARG A1844 -104.004 63.073 34.930 1.00 0.00 H ATOM 484 HH22 ARG A1844 -104.724 61.038 37.754 1.00 0.00 H ATOM 485 HH21 ARG A1844 -104.396 59.494 36.886 1.00 0.00 H ATOM 486 H ARG A1844 -106.488 58.341 30.869 1.00 0.00 H ATOM 487 N GLU A1845 -105.106 60.916 29.329 1.00 49.26 N ATOM 488 CA GLU A1845 -104.730 61.858 28.279 1.00 53.98 C ATOM 489 C GLU A1845 -105.808 62.915 28.063 1.00 52.57 C ATOM 490 O GLU A1845 -105.506 64.098 27.910 1.00 53.48 O ATOM 491 CB GLU A1845 -104.452 61.118 26.969 1.00 58.31 C ATOM 492 CG GLU A1845 -103.171 60.299 26.975 1.00 61.43 C ATOM 493 CD GLU A1845 -102.947 59.559 25.670 1.00 65.77 C ATOM 494 OE1 GLU A1845 -103.944 59.190 25.015 1.00 64.71 O ATOM 495 OE2 GLU A1845 -101.773 59.349 25.298 1.00 69.88 O ATOM 496 H GLU A1845 -105.213 59.909 29.092 1.00 0.00 H ATOM 497 N ARG A1846 -107.064 62.482 28.058 1.00 50.51 N ATOM 498 CA ARG A1846 -108.186 63.389 27.847 1.00 50.80 C ATOM 499 C ARG A1846 -108.387 64.318 29.042 1.00 49.83 C ATOM 500 O ARG A1846 -108.766 65.479 28.880 1.00 51.95 O ATOM 501 CB ARG A1846 -109.468 62.599 27.572 1.00 50.55 C ATOM 502 CG ARG A1846 -110.695 63.466 27.337 1.00 52.65 C ATOM 503 CD ARG A1846 -111.914 62.629 26.986 1.00 52.31 C ATOM 504 NE ARG A1846 -113.124 63.443 26.897 1.00 54.12 N ATOM 505 CZ ARG A1846 -114.337 62.957 26.658 1.00 54.29 C ATOM 506 NH1 ARG A1846 -114.510 61.654 26.483 1.00 53.31 N ATOM 507 NH2 ARG A1846 -115.380 63.774 26.595 1.00 55.71 N ATOM 508 HE ARG A1846 -113.029 64.470 27.029 1.00 0.00 H ATOM 509 HH12 ARG A1846 -115.461 61.276 26.296 1.00 0.00 H ATOM 510 HH11 ARG A1846 -113.695 61.010 26.533 1.00 0.00 H ATOM 511 HH22 ARG A1846 -116.329 63.392 26.408 1.00 0.00 H ATOM 512 HH21 ARG A1846 -115.249 64.796 26.733 1.00 0.00 H ATOM 513 H ARG A1846 -107.252 61.470 28.208 1.00 0.00 H ATOM 514 N LEU A1847 -108.125 63.806 30.240 1.00 47.51 N ATOM 515 CA LEU A1847 -108.332 64.578 31.461 1.00 47.86 C ATOM 516 C LEU A1847 -107.315 65.706 31.601 1.00 51.86 C ATOM 517 O LEU A1847 -107.677 66.838 31.925 1.00 52.86 O ATOM 518 CB LEU A1847 -108.272 63.666 32.688 1.00 45.88 C ATOM 519 CG LEU A1847 -108.486 64.350 34.039 1.00 46.82 C ATOM 520 CD1 LEU A1847 -109.857 65.006 34.090 1.00 48.84 C ATOM 521 CD2 LEU A1847 -108.325 63.357 35.179 1.00 45.20 C ATOM 522 H LEU A1847 -107.764 62.833 30.309 1.00 0.00 H ATOM 523 N LEU A1848 -106.044 65.392 31.365 1.00 54.47 N ATOM 524 CA LEU A1848 -104.977 66.384 31.453 1.00 58.35 C ATOM 525 C LEU A1848 -105.210 67.517 30.464 1.00 62.14 C ATOM 526 O LEU A1848 -104.969 68.684 30.766 1.00 62.96 O ATOM 527 CB LEU A1848 -103.614 65.740 31.190 1.00 57.28 C ATOM 528 CG LEU A1848 -103.091 64.742 32.222 1.00 54.01 C ATOM 529 CD1 LEU A1848 -101.727 64.222 31.802 1.00 53.04 C ATOM 530 CD2 LEU A1848 -103.020 65.382 33.602 1.00 54.18 C ATOM 531 H LEU A1848 -105.804 64.413 31.111 1.00 0.00 H ATOM 532 N ARG A1849 -105.699 67.155 29.285 1.00 65.94 N ATOM 533 CA ARG A1849 -105.890 68.095 28.190 1.00 72.31 C ATOM 534 C ARG A1849 -107.292 68.720 28.311 1.00 74.59 C ATOM 535 O ARG A1849 -107.806 69.352 27.390 1.00 78.41 O ATOM 536 CB ARG A1849 -105.653 67.357 26.861 1.00 75.21 C ATOM 537 CG ARG A1849 -105.916 68.099 25.559 1.00 80.05 C ATOM 538 CD ARG A1849 -105.514 67.228 24.370 1.00 81.94 C ATOM 539 NE ARG A1849 -106.143 67.654 23.124 1.00 85.28 N ATOM 540 CZ ARG A1849 -105.827 67.184 21.919 1.00 87.83 C ATOM 541 NH1 ARG A1849 -104.874 66.270 21.779 1.00 89.50 N ATOM 542 NH2 ARG A1849 -106.468 67.635 20.850 1.00 90.20 N ATOM 543 HE ARG A1849 -106.890 68.375 23.181 1.00 0.00 H ATOM 544 HH12 ARG A1849 -104.634 65.909 20.833 1.00 0.00 H ATOM 545 HH11 ARG A1849 -104.367 65.915 22.615 1.00 0.00 H ATOM 546 HH22 ARG A1849 -106.225 67.271 19.906 1.00 0.00 H ATOM 547 HH21 ARG A1849 -107.214 68.352 20.955 1.00 0.00 H ATOM 548 H ARG A1849 -105.957 66.158 29.137 1.00 0.00 H ATOM 549 N GLY A1850 -107.896 68.542 29.485 1.00 75.04 N ATOM 550 CA GLY A1850 -109.165 69.166 29.825 1.00 76.85 C ATOM 551 C GLY A1850 -110.339 68.784 28.942 1.00 76.06 C ATOM 552 O GLY A1850 -111.321 69.522 28.847 1.00 76.20 O ATOM 553 H GLY A1850 -107.439 67.929 30.190 1.00 0.00 H ATOM 554 N GLY A1851 -110.244 67.620 28.307 1.00 72.60 N ATOM 555 CA GLY A1851 -111.246 67.183 27.353 1.00 72.20 C ATOM 556 C GLY A1851 -112.556 66.705 27.951 1.00 70.65 C ATOM 557 O GLY A1851 -113.448 66.276 27.221 1.00 68.06 O ATOM 558 H GLY A1851 -109.428 67.005 28.500 1.00 0.00 H ATOM 559 N TYR A1852 -112.679 66.768 29.272 1.00 71.46 N ATOM 560 CA TYR A1852 -113.921 66.371 29.928 1.00 71.87 C ATOM 561 C TYR A1852 -114.737 67.592 30.325 1.00 80.37 C ATOM 562 O TYR A1852 -114.335 68.359 31.199 1.00 84.22 O ATOM 563 CB TYR A1852 -113.639 65.506 31.159 1.00 62.90 C ATOM 564 CG TYR A1852 -113.217 64.092 30.834 1.00 53.48 C ATOM 565 CD1 TYR A1852 -114.109 63.194 30.261 1.00 49.42 C ATOM 566 CD2 TYR A1852 -111.930 63.651 31.109 1.00 49.47 C ATOM 567 CE1 TYR A1852 -113.728 61.899 29.964 1.00 46.30 C ATOM 568 CE2 TYR A1852 -111.540 62.359 30.816 1.00 46.41 C ATOM 569 CZ TYR A1852 -112.442 61.487 30.245 1.00 45.26 C ATOM 570 OH TYR A1852 -112.056 60.199 29.952 1.00 43.76 O ATOM 571 HH TYR A1852 -112.818 59.711 29.550 1.00 0.00 H ATOM 572 H TYR A1852 -111.880 67.105 29.846 1.00 0.00 H ATOM 573 N THR A1853 -115.883 67.767 29.674 1.00 87.22 N ATOM 574 CA THR A1853 -116.769 68.889 29.964 1.00 92.08 C ATOM 575 C THR A1853 -117.219 68.876 31.424 1.00 95.51 C ATOM 576 O THR A1853 -117.367 69.928 32.051 1.00 99.54 O ATOM 577 CB THR A1853 -118.009 68.874 29.044 1.00 94.64 C ATOM 578 OG1 THR A1853 -117.593 68.973 27.676 1.00 96.24 O ATOM 579 CG2 THR A1853 -118.939 70.034 29.367 1.00 97.70 C ATOM 580 HG1 THR A1853 -118.390 68.963 27.088 1.00 0.00 H ATOM 581 H THR A1853 -116.155 67.085 28.938 1.00 0.00 H ATOM 582 N SER A1854 -117.409 67.677 31.966 1.00 88.02 N ATOM 583 CA SER A1854 -117.934 67.528 33.316 1.00 84.67 C ATOM 584 C SER A1854 -117.767 66.099 33.845 1.00 78.26 C ATOM 585 O SER A1854 -117.231 65.224 33.160 1.00 73.77 O ATOM 586 CB SER A1854 -119.403 67.951 33.346 1.00 86.72 C ATOM 587 OG SER A1854 -120.152 67.240 32.376 1.00 85.98 O ATOM 588 HG SER A1854 -120.095 66.270 32.563 1.00 0.00 H ATOM 589 H SER A1854 -117.178 66.827 31.414 1.00 0.00 H ATOM 590 N SER A1855 -118.228 65.871 35.071 1.00 76.24 N ATOM 591 CA SER A1855 -117.953 64.618 35.766 1.00 72.08 C ATOM 592 C SER A1855 -118.750 63.433 35.224 1.00 69.09 C ATOM 593 O SER A1855 -118.316 62.290 35.342 1.00 67.02 O ATOM 594 CB SER A1855 -118.222 64.775 37.265 1.00 71.44 C ATOM 595 OG SER A1855 -119.588 65.050 37.518 1.00 72.00 O ATOM 596 HG SER A1855 -119.729 65.146 38.493 1.00 0.00 H ATOM 597 H SER A1855 -118.797 66.601 35.545 1.00 0.00 H ATOM 598 N GLU A1856 -119.908 63.694 34.630 1.00 69.93 N ATOM 599 CA GLU A1856 -120.723 62.608 34.094 1.00 68.92 C ATOM 600 C GLU A1856 -120.066 62.008 32.856 1.00 64.34 C ATOM 601 O GLU A1856 -120.208 60.815 32.584 1.00 61.97 O ATOM 602 CB GLU A1856 -122.134 63.095 33.761 1.00 75.09 C ATOM 603 CG GLU A1856 -122.654 64.176 34.696 1.00 81.11 C ATOM 604 CD GLU A1856 -122.160 65.558 34.313 1.00 86.97 C ATOM 605 OE1 GLU A1856 -121.326 65.643 33.388 1.00 89.00 O ATOM 606 OE2 GLU A1856 -122.597 66.548 34.937 1.00 92.02 O ATOM 607 H GLU A1856 -120.236 64.677 34.546 1.00 0.00 H ATOM 608 N GLU A1857 -119.349 62.839 32.104 1.00 62.20 N ATOM 609 CA GLU A1857 -118.591 62.355 30.956 1.00 58.29 C ATOM 610 C GLU A1857 -117.441 61.462 31.403 1.00 52.24 C ATOM 611 O GLU A1857 -117.154 60.444 30.773 1.00 50.78 O ATOM 612 CB GLU A1857 -118.045 63.517 30.120 1.00 60.04 C ATOM 613 CG GLU A1857 -119.070 64.203 29.229 1.00 61.96 C ATOM 614 CD GLU A1857 -118.428 65.099 28.181 1.00 63.49 C ATOM 615 OE1 GLU A1857 -119.134 65.505 27.233 1.00 65.58 O ATOM 616 OE2 GLU A1857 -117.219 65.392 28.299 1.00 63.05 O ATOM 617 H GLU A1857 -119.329 63.852 32.339 1.00 0.00 H ATOM 618 N PHE A1858 -116.778 61.858 32.485 1.00 49.42 N ATOM 619 CA PHE A1858 -115.674 61.085 33.041 1.00 44.87 C ATOM 620 C PHE A1858 -116.160 59.729 33.537 1.00 42.48 C ATOM 621 O PHE A1858 -115.518 58.705 33.304 1.00 41.05 O ATOM 622 CB PHE A1858 -115.001 61.858 34.179 1.00 44.15 C ATOM 623 CG PHE A1858 -113.923 61.085 34.884 1.00 41.35 C ATOM 624 CD1 PHE A1858 -114.196 60.400 36.057 1.00 39.99 C ATOM 625 CD2 PHE A1858 -112.635 61.046 34.377 1.00 40.31 C ATOM 626 CE1 PHE A1858 -113.207 59.688 36.706 1.00 38.54 C ATOM 627 CE2 PHE A1858 -111.641 60.336 35.024 1.00 38.61 C ATOM 628 CZ PHE A1858 -111.928 59.657 36.190 1.00 37.84 C ATOM 629 H PHE A1858 -117.055 62.746 32.949 1.00 0.00 H ATOM 630 N ALA A1859 -117.298 59.732 34.223 1.00 43.23 N ATOM 631 CA ALA A1859 -117.871 58.506 34.767 1.00 41.95 C ATOM 632 C ALA A1859 -118.294 57.552 33.655 1.00 40.76 C ATOM 633 O ALA A1859 -118.210 56.334 33.808 1.00 38.79 O ATOM 634 CB ALA A1859 -119.055 58.829 35.666 1.00 42.92 C ATOM 635 H ALA A1859 -117.794 60.633 34.376 1.00 0.00 H ATOM 636 N ALA A1860 -118.746 58.114 32.539 1.00 41.67 N ATOM 637 CA ALA A1860 -119.192 57.316 31.402 1.00 41.35 C ATOM 638 C ALA A1860 -118.041 56.513 30.801 1.00 39.36 C ATOM 639 O ALA A1860 -118.222 55.367 30.391 1.00 38.18 O ATOM 640 CB ALA A1860 -119.825 58.208 30.344 1.00 43.72 C ATOM 641 H ALA A1860 -118.783 59.151 32.474 1.00 0.00 H ATOM 642 N ASP A1861 -116.860 57.120 30.751 1.00 39.63 N ATOM 643 CA ASP A1861 -115.678 56.443 30.229 1.00 39.07 C ATOM 644 C ASP A1861 -115.203 55.353 31.183 1.00 35.78 C ATOM 645 O ASP A1861 -114.790 54.277 30.752 1.00 33.66 O ATOM 646 CB ASP A1861 -114.550 57.445 29.972 1.00 41.06 C ATOM 647 CG ASP A1861 -114.594 58.023 28.571 1.00 43.14 C ATOM 648 OD1 ASP A1861 -115.303 57.456 27.715 1.00 42.71 O ATOM 649 OD2 ASP A1861 -113.915 59.043 28.325 1.00 46.61 O ATOM 650 H ASP A1861 -116.777 58.099 31.091 1.00 0.00 H ATOM 651 N ALA A1862 -115.263 55.638 32.479 1.00 34.62 N ATOM 652 CA ALA A1862 -114.853 54.673 33.492 1.00 32.83 C ATOM 653 C ALA A1862 -115.729 53.426 33.444 1.00 30.33 C ATOM 654 O ALA A1862 -115.226 52.304 33.464 1.00 29.09 O ATOM 655 CB ALA A1862 -114.899 55.303 34.873 1.00 33.26 C ATOM 656 H ALA A1862 -115.611 56.571 32.778 1.00 0.00 H ATOM 657 N LEU A1863 -117.041 53.629 33.370 1.00 31.69 N ATOM 658 CA LEU A1863 -117.984 52.519 33.293 1.00 31.54 C ATOM 659 C LEU A1863 -117.841 51.763 31.975 1.00 31.57 C ATOM 660 O LEU A1863 -118.108 50.564 31.905 1.00 31.92 O ATOM 661 CB LEU A1863 -119.420 53.022 33.460 1.00 33.67 C ATOM 662 CG LEU A1863 -119.770 53.625 34.823 1.00 36.65 C ATOM 663 CD1 LEU A1863 -121.214 54.103 34.849 1.00 38.51 C ATOM 664 CD2 LEU A1863 -119.513 52.624 35.940 1.00 36.70 C ATOM 665 H LEU A1863 -117.404 54.604 33.367 1.00 0.00 H ATOM 666 N LEU A1864 -117.418 52.472 30.933 1.00 31.77 N ATOM 667 CA LEU A1864 -117.192 51.860 29.629 1.00 31.60 C ATOM 668 C LEU A1864 -116.043 50.858 29.698 1.00 31.85 C ATOM 669 O LEU A1864 -116.082 49.809 29.053 1.00 32.89 O ATOM 670 CB LEU A1864 -116.902 52.931 28.574 1.00 32.28 C ATOM 671 CG LEU A1864 -116.573 52.445 27.161 1.00 33.65 C ATOM 672 CD1 LEU A1864 -117.704 51.593 26.602 1.00 32.94 C ATOM 673 CD2 LEU A1864 -116.283 53.622 26.244 1.00 34.65 C ATOM 674 H LEU A1864 -117.244 53.490 31.051 1.00 0.00 H ATOM 675 N VAL A1865 -115.024 51.189 30.485 1.00 30.25 N ATOM 676 CA VAL A1865 -113.890 50.296 30.701 1.00 29.52 C ATOM 677 C VAL A1865 -114.352 48.961 31.277 1.00 27.65 C ATOM 678 O VAL A1865 -113.928 47.895 30.829 1.00 27.25 O ATOM 679 CB VAL A1865 -112.848 50.924 31.653 1.00 30.34 C ATOM 680 CG1 VAL A1865 -111.754 49.923 31.986 1.00 30.74 C ATOM 681 CG2 VAL A1865 -112.256 52.182 31.041 1.00 31.35 C ATOM 682 H VAL A1865 -115.035 52.113 30.962 1.00 0.00 H ATOM 683 N PHE A1866 -115.239 49.032 32.262 1.00 27.89 N ATOM 684 CA PHE A1866 -115.697 47.847 32.974 1.00 27.86 C ATOM 685 C PHE A1866 -116.812 47.127 32.221 1.00 27.45 C ATOM 686 O PHE A1866 -117.007 45.925 32.394 1.00 28.19 O ATOM 687 CB PHE A1866 -116.155 48.235 34.380 1.00 27.81 C ATOM 688 CG PHE A1866 -115.140 49.045 35.134 1.00 27.71 C ATOM 689 CD1 PHE A1866 -113.815 48.644 35.180 1.00 27.43 C ATOM 690 CD2 PHE A1866 -115.502 50.220 35.771 1.00 27.31 C ATOM 691 CE1 PHE A1866 -112.873 49.390 35.861 1.00 26.88 C ATOM 692 CE2 PHE A1866 -114.563 50.971 36.454 1.00 26.52 C ATOM 693 CZ PHE A1866 -113.247 50.554 36.499 1.00 26.44 C ATOM 694 H PHE A1866 -115.618 49.962 32.533 1.00 0.00 H ATOM 695 N ASP A1867 -117.540 47.863 31.387 1.00 27.76 N ATOM 696 CA ASP A1867 -118.542 47.254 30.519 1.00 28.75 C ATOM 697 C ASP A1867 -117.864 46.421 29.438 1.00 28.69 C ATOM 698 O ASP A1867 -118.292 45.305 29.141 1.00 27.91 O ATOM 699 CB ASP A1867 -119.438 48.318 29.883 1.00 31.18 C ATOM 700 CG ASP A1867 -120.516 48.814 30.826 1.00 33.10 C ATOM 701 OD1 ASP A1867 -120.871 48.075 31.768 1.00 33.50 O ATOM 702 OD2 ASP A1867 -121.010 49.942 30.622 1.00 35.11 O ATOM 703 H ASP A1867 -117.393 48.892 31.353 1.00 0.00 H ATOM 704 N ASN A1868 -116.805 46.973 28.853 1.00 28.71 N ATOM 705 CA ASN A1868 -116.016 46.255 27.860 1.00 29.12 C ATOM 706 C ASN A1868 -115.364 45.018 28.465 1.00 27.52 C ATOM 707 O ASN A1868 -115.293 43.967 27.828 1.00 27.91 O ATOM 708 CB ASN A1868 -114.943 47.167 27.260 1.00 29.29 C ATOM 709 CG ASN A1868 -115.526 48.261 26.388 1.00 29.11 C ATOM 710 OD1 ASN A1868 -116.647 48.145 25.894 1.00 28.48 O ATOM 711 ND2 ASN A1868 -114.764 49.330 26.190 1.00 29.88 N ATOM 712 HD22 ASN A1868 -113.822 49.386 26.628 1.00 0.00 H ATOM 713 HD21 ASN A1868 -115.109 50.112 25.597 1.00 0.00 H ATOM 714 H ASN A1868 -116.533 47.943 29.111 1.00 0.00 H ATOM 715 N CYS A1869 -114.893 45.155 29.700 1.00 26.85 N ATOM 716 CA CYS A1869 -114.232 44.060 30.398 1.00 25.48 C ATOM 717 C CYS A1869 -115.172 42.875 30.596 1.00 25.68 C ATOM 718 O CYS A1869 -114.792 41.726 30.373 1.00 25.65 O ATOM 719 CB CYS A1869 -113.696 44.535 31.750 1.00 24.76 C ATOM 720 SG CYS A1869 -112.855 43.252 32.704 1.00 28.02 S ATOM 721 H CYS A1869 -114.999 46.070 30.182 1.00 0.00 H ATOM 722 N GLN A1870 -116.403 43.162 31.007 1.00 25.09 N ATOM 723 CA GLN A1870 -117.387 42.116 31.259 1.00 25.58 C ATOM 724 C GLN A1870 -117.935 41.538 29.960 1.00 25.90 C ATOM 725 O GLN A1870 -118.413 40.404 29.928 1.00 26.27 O ATOM 726 CB GLN A1870 -118.532 42.655 32.119 1.00 25.29 C ATOM 727 CG GLN A1870 -118.106 43.086 33.514 1.00 24.69 C ATOM 728 CD GLN A1870 -119.242 43.707 34.302 1.00 24.64 C ATOM 729 OE1 GLN A1870 -120.040 43.003 34.920 1.00 24.57 O ATOM 730 NE2 GLN A1870 -119.321 45.032 34.283 1.00 25.22 N ATOM 731 HE22 GLN A1870 -118.624 45.587 33.747 1.00 0.00 H ATOM 732 HE21 GLN A1870 -120.080 45.515 34.805 1.00 0.00 H ATOM 733 H GLN A1870 -116.671 44.156 31.152 1.00 0.00 H ATOM 734 N THR A1871 -117.866 42.323 28.890 1.00 26.76 N ATOM 735 CA THR A1871 -118.327 41.869 27.584 1.00 27.72 C ATOM 736 C THR A1871 -117.352 40.863 26.980 1.00 28.89 C ATOM 737 O THR A1871 -117.762 39.837 26.439 1.00 29.80 O ATOM 738 CB THR A1871 -118.515 43.049 26.607 1.00 28.92 C ATOM 739 OG1 THR A1871 -119.535 43.925 27.103 1.00 28.75 O ATOM 740 CG2 THR A1871 -118.917 42.548 25.225 1.00 30.71 C ATOM 741 HG1 THR A1871 -119.268 44.271 27.991 1.00 0.00 H ATOM 742 H THR A1871 -117.475 43.282 28.987 1.00 0.00 H ATOM 743 N PHE A1872 -116.059 41.150 27.089 1.00 29.42 N ATOM 744 CA PHE A1872 -115.050 40.315 26.448 1.00 30.75 C ATOM 745 C PHE A1872 -114.535 39.189 27.339 1.00 30.43 C ATOM 746 O PHE A1872 -114.213 38.105 26.852 1.00 30.10 O ATOM 747 CB PHE A1872 -113.867 41.168 25.985 1.00 31.06 C ATOM 748 CG PHE A1872 -112.863 40.405 25.172 1.00 32.78 C ATOM 749 CD1 PHE A1872 -113.059 40.215 23.816 1.00 33.76 C ATOM 750 CD2 PHE A1872 -111.731 39.866 25.763 1.00 33.09 C ATOM 751 CE1 PHE A1872 -112.146 39.509 23.062 1.00 35.69 C ATOM 752 CE2 PHE A1872 -110.814 39.158 25.014 1.00 34.35 C ATOM 753 CZ PHE A1872 -111.023 38.978 23.661 1.00 35.89 C ATOM 754 H PHE A1872 -115.763 41.981 27.639 1.00 0.00 H ATOM 755 N ASN A1873 -114.450 39.444 28.640 1.00 33.28 N ATOM 756 CA ASN A1873 -113.826 38.491 29.548 1.00 34.16 C ATOM 757 C ASN A1873 -114.818 37.769 30.451 1.00 34.54 C ATOM 758 O ASN A1873 -115.800 38.353 30.910 1.00 32.25 O ATOM 759 CB ASN A1873 -112.775 39.198 30.406 1.00 33.59 C ATOM 760 CG ASN A1873 -111.758 39.953 29.574 1.00 32.89 C ATOM 761 OD1 ASN A1873 -110.776 39.380 29.104 1.00 34.55 O ATOM 762 ND2 ASN A1873 -111.989 41.248 29.388 1.00 31.64 N ATOM 763 HD22 ASN A1873 -112.833 41.691 29.805 1.00 0.00 H ATOM 764 HD21 ASN A1873 -111.326 41.819 28.826 1.00 0.00 H ATOM 765 H ASN A1873 -114.834 40.335 29.015 1.00 0.00 H ATOM 766 N GLU A1874 -114.549 36.490 30.695 1.00 37.09 N ATOM 767 CA GLU A1874 -115.332 35.702 31.637 1.00 39.29 C ATOM 768 C GLU A1874 -115.202 36.288 33.038 1.00 34.46 C ATOM 769 O GLU A1874 -114.183 36.892 33.373 1.00 32.53 O ATOM 770 CB GLU A1874 -114.875 34.242 31.629 1.00 45.46 C ATOM 771 CG GLU A1874 -115.028 33.542 30.289 1.00 50.78 C ATOM 772 CD GLU A1874 -116.219 32.605 30.252 1.00 56.06 C ATOM 773 OE1 GLU A1874 -117.358 33.080 30.444 1.00 55.42 O ATOM 774 OE2 GLU A1874 -116.015 31.392 30.033 1.00 63.00 O ATOM 775 H GLU A1874 -113.755 36.038 30.198 1.00 0.00 H ATOM 776 N ASP A1875 -116.237 36.111 33.852 1.00 33.08 N ATOM 777 CA ASP A1875 -116.234 36.630 35.215 1.00 31.51 C ATOM 778 C ASP A1875 -115.175 35.944 36.074 1.00 33.29 C ATOM 779 O ASP A1875 -114.638 36.544 37.004 1.00 32.38 O ATOM 780 CB ASP A1875 -117.615 36.464 35.852 1.00 30.58 C ATOM 781 CG ASP A1875 -118.675 37.315 35.177 1.00 29.08 C ATOM 782 OD1 ASP A1875 -118.393 38.495 34.878 1.00 27.29 O ATOM 783 OD2 ASP A1875 -119.788 36.801 34.941 1.00 30.34 O ATOM 784 H ASP A1875 -117.069 35.590 33.509 1.00 0.00 H ATOM 785 N ASP A1876 -114.873 34.689 35.753 1.00 36.41 N ATOM 786 CA ASP A1876 -113.911 33.916 36.531 1.00 39.08 C ATOM 787 C ASP A1876 -112.514 33.937 35.912 1.00 38.42 C ATOM 788 O ASP A1876 -111.599 33.281 36.409 1.00 38.80 O ATOM 789 CB ASP A1876 -114.391 32.471 36.690 1.00 42.00 C ATOM 790 CG ASP A1876 -114.538 31.754 35.365 1.00 42.81 C ATOM 791 OD1 ASP A1876 -114.668 32.436 34.328 1.00 41.91 O ATOM 792 OD2 ASP A1876 -114.524 30.505 35.361 1.00 45.50 O ATOM 793 H ASP A1876 -115.332 34.250 34.930 1.00 0.00 H ATOM 794 N SER A1877 -112.355 34.689 34.827 1.00 37.64 N ATOM 795 CA SER A1877 -111.041 34.866 34.218 1.00 38.24 C ATOM 796 C SER A1877 -110.225 35.857 35.038 1.00 38.15 C ATOM 797 O SER A1877 -110.782 36.622 35.824 1.00 36.27 O ATOM 798 CB SER A1877 -111.168 35.347 32.771 1.00 37.12 C ATOM 799 OG SER A1877 -111.690 36.663 32.711 1.00 35.31 O ATOM 800 HG SER A1877 -112.587 36.680 33.130 1.00 0.00 H ATOM 801 H SER A1877 -113.181 35.159 34.405 1.00 0.00 H ATOM 802 N GLU A1878 -108.909 35.842 34.853 1.00 41.56 N ATOM 803 CA GLU A1878 -108.018 36.719 35.608 1.00 43.79 C ATOM 804 C GLU A1878 -108.318 38.192 35.346 1.00 38.39 C ATOM 805 O GLU A1878 -108.328 39.005 36.271 1.00 35.91 O ATOM 806 CB GLU A1878 -106.557 36.412 35.274 1.00 50.84 C ATOM 807 CG GLU A1878 -106.100 35.035 35.726 1.00 56.28 C ATOM 808 CD GLU A1878 -106.238 34.841 37.223 1.00 59.65 C ATOM 809 OE1 GLU A1878 -105.772 35.716 37.984 1.00 62.11 O ATOM 810 OE2 GLU A1878 -106.814 33.814 37.640 1.00 62.53 O ATOM 811 H GLU A1878 -108.503 35.189 34.153 1.00 0.00 H ATOM 812 N VAL A1879 -108.564 38.532 34.084 1.00 35.61 N ATOM 813 CA VAL A1879 -108.926 39.897 33.719 1.00 32.29 C ATOM 814 C VAL A1879 -110.306 40.249 34.265 1.00 29.58 C ATOM 815 O VAL A1879 -110.515 41.339 34.799 1.00 29.75 O ATOM 816 CB VAL A1879 -108.911 40.100 32.190 1.00 32.63 C ATOM 817 CG1 VAL A1879 -109.435 41.482 31.827 1.00 31.25 C ATOM 818 CG2 VAL A1879 -107.507 39.897 31.642 1.00 32.99 C ATOM 819 H VAL A1879 -108.497 37.808 33.340 1.00 0.00 H ATOM 820 N GLY A1880 -111.243 39.314 34.135 1.00 28.94 N ATOM 821 CA GLY A1880 -112.597 39.509 34.621 1.00 28.11 C ATOM 822 C GLY A1880 -112.661 39.738 36.120 1.00 28.81 C ATOM 823 O GLY A1880 -113.406 40.599 36.592 1.00 27.59 O ATOM 824 H GLY A1880 -110.998 38.416 33.671 1.00 0.00 H ATOM 825 N LYS A1881 -111.879 38.969 36.870 1.00 29.32 N ATOM 826 CA LYS A1881 -111.838 39.109 38.322 1.00 30.05 C ATOM 827 C LYS A1881 -111.250 40.459 38.721 1.00 28.03 C ATOM 828 O LYS A1881 -111.733 41.106 39.650 1.00 27.05 O ATOM 829 CB LYS A1881 -111.032 37.970 38.952 1.00 33.36 C ATOM 830 CG LYS A1881 -111.718 36.614 38.880 1.00 36.02 C ATOM 831 CD LYS A1881 -110.931 35.546 39.624 1.00 38.88 C ATOM 832 CE LYS A1881 -109.591 35.276 38.958 1.00 39.93 C ATOM 833 NZ LYS A1881 -108.831 34.204 39.659 1.00 43.26 N ATOM 834 HZ1 LYS A1881 -108.655 34.492 40.643 1.00 0.00 H ATOM 835 HZ2 LYS A1881 -109.385 33.324 39.648 1.00 0.00 H ATOM 836 HZ3 LYS A1881 -107.924 34.050 39.174 1.00 0.00 H ATOM 837 H LYS A1881 -111.282 38.251 36.412 1.00 0.00 H ATOM 838 N ALA A1882 -110.210 40.880 38.009 1.00 27.32 N ATOM 839 CA ALA A1882 -109.591 42.177 38.253 1.00 27.33 C ATOM 840 C ALA A1882 -110.559 43.308 37.924 1.00 26.69 C ATOM 841 O ALA A1882 -110.586 44.334 38.605 1.00 27.33 O ATOM 842 CB ALA A1882 -108.312 42.316 37.441 1.00 28.02 C ATOM 843 H ALA A1882 -109.828 40.269 37.259 1.00 0.00 H ATOM 844 N GLY A1883 -111.357 43.109 36.879 1.00 25.69 N ATOM 845 CA GLY A1883 -112.323 44.103 36.448 1.00 23.63 C ATOM 846 C GLY A1883 -113.433 44.342 37.453 1.00 23.19 C ATOM 847 O GLY A1883 -113.847 45.480 37.671 1.00 21.83 O ATOM 848 H GLY A1883 -111.287 42.214 36.354 1.00 0.00 H ATOM 849 N HIS A1884 -113.921 43.266 38.061 1.00 23.67 N ATOM 850 CA HIS A1884 -114.978 43.372 39.059 1.00 24.86 C ATOM 851 C HIS A1884 -114.494 44.132 40.290 1.00 25.19 C ATOM 852 O HIS A1884 -115.243 44.909 40.882 1.00 26.10 O ATOM 853 CB HIS A1884 -115.486 41.985 39.456 1.00 25.67 C ATOM 854 CG HIS A1884 -116.317 41.324 38.401 1.00 26.22 C ATOM 855 ND1 HIS A1884 -117.419 41.928 37.836 1.00 25.92 N ATOM 856 CD2 HIS A1884 -116.210 40.109 37.811 1.00 26.96 C ATOM 857 CE1 HIS A1884 -117.954 41.116 36.942 1.00 26.40 C ATOM 858 NE2 HIS A1884 -117.240 40.006 36.908 1.00 27.01 N ATOM 859 H HIS A1884 -113.541 42.329 37.820 1.00 0.00 H ATOM 860 N ILE A1885 -113.240 43.905 40.666 1.00 26.22 N ATOM 861 CA ILE A1885 -112.632 44.623 41.780 1.00 27.28 C ATOM 862 C ILE A1885 -112.536 46.111 41.465 1.00 27.48 C ATOM 863 O ILE A1885 -112.880 46.955 42.293 1.00 28.09 O ATOM 864 CB ILE A1885 -111.227 44.077 42.108 1.00 28.13 C ATOM 865 CG1 ILE A1885 -111.312 42.617 42.556 1.00 29.76 C ATOM 866 CG2 ILE A1885 -110.560 44.921 43.184 1.00 27.59 C ATOM 867 CD1 ILE A1885 -109.965 41.987 42.844 1.00 31.85 C ATOM 868 H ILE A1885 -112.678 43.197 40.152 1.00 0.00 H ATOM 869 N MET A1886 -112.078 46.426 40.258 1.00 26.69 N ATOM 870 CA MET A1886 -111.931 47.813 39.833 1.00 27.71 C ATOM 871 C MET A1886 -113.281 48.501 39.656 1.00 27.03 C ATOM 872 O MET A1886 -113.431 49.677 39.983 1.00 30.93 O ATOM 873 CB MET A1886 -111.133 47.890 38.531 1.00 26.86 C ATOM 874 CG MET A1886 -109.671 47.517 38.684 1.00 28.68 C ATOM 875 SD MET A1886 -108.841 48.480 39.964 1.00 33.13 S ATOM 876 CE MET A1886 -109.087 50.144 39.351 1.00 30.53 C ATOM 877 H MET A1886 -111.818 45.664 39.600 1.00 0.00 H ATOM 878 N ARG A1887 -114.257 47.764 39.135 1.00 25.57 N ATOM 879 CA ARG A1887 -115.592 48.312 38.920 1.00 27.12 C ATOM 880 C ARG A1887 -116.260 48.666 40.244 1.00 28.18 C ATOM 881 O ARG A1887 -116.828 49.748 40.390 1.00 29.00 O ATOM 882 CB ARG A1887 -116.463 47.325 38.140 1.00 26.38 C ATOM 883 CG ARG A1887 -117.888 47.805 37.921 1.00 22.29 C ATOM 884 CD ARG A1887 -118.729 46.746 37.229 1.00 23.67 C ATOM 885 NE ARG A1887 -118.598 45.441 37.872 1.00 24.13 N ATOM 886 CZ ARG A1887 -119.247 45.078 38.973 1.00 24.77 C ATOM 887 NH1 ARG A1887 -120.079 45.923 39.567 1.00 25.39 N ATOM 888 NH2 ARG A1887 -119.063 43.868 39.484 1.00 25.38 N ATOM 889 HE ARG A1887 -117.953 44.749 37.439 1.00 0.00 H ATOM 890 HH12 ARG A1887 -120.585 45.635 40.429 1.00 0.00 H ATOM 891 HH11 ARG A1887 -120.225 46.874 39.171 1.00 0.00 H ATOM 892 HH22 ARG A1887 -119.571 43.585 40.346 1.00 0.00 H ATOM 893 HH21 ARG A1887 -118.410 43.203 39.023 1.00 0.00 H ATOM 894 H ARG A1887 -114.065 46.776 38.875 1.00 0.00 H ATOM 895 N ARG A1888 -116.189 47.749 41.206 1.00 27.64 N ATOM 896 CA ARG A1888 -116.755 47.989 42.529 1.00 29.86 C ATOM 897 C ARG A1888 -116.033 49.134 43.229 1.00 29.79 C ATOM 898 O ARG A1888 -116.655 49.927 43.934 1.00 29.92 O ATOM 899 CB ARG A1888 -116.689 46.723 43.389 1.00 30.84 C ATOM 900 CG ARG A1888 -117.766 45.698 43.071 1.00 30.74 C ATOM 901 CD ARG A1888 -117.780 44.573 44.097 1.00 31.00 C ATOM 902 NE ARG A1888 -116.540 43.802 44.084 1.00 30.38 N ATOM 903 CZ ARG A1888 -116.363 42.682 43.389 1.00 29.32 C ATOM 904 NH1 ARG A1888 -117.349 42.196 42.648 1.00 28.80 N ATOM 905 NH2 ARG A1888 -115.201 42.047 43.436 1.00 29.62 N ATOM 906 HE ARG A1888 -115.744 44.151 44.655 1.00 0.00 H ATOM 907 HH12 ARG A1888 -117.209 41.320 42.105 1.00 0.00 H ATOM 908 HH11 ARG A1888 -118.263 42.691 42.609 1.00 0.00 H ATOM 909 HH22 ARG A1888 -115.065 41.171 42.892 1.00 0.00 H ATOM 910 HH21 ARG A1888 -114.425 42.424 44.017 1.00 0.00 H ATOM 911 H ARG A1888 -115.720 46.842 41.010 1.00 0.00 H ATOM 912 N PHE A1889 -114.721 49.215 43.028 1.00 30.22 N ATOM 913 CA PHE A1889 -113.925 50.284 43.620 1.00 32.56 C ATOM 914 C PHE A1889 -114.362 51.646 43.098 1.00 33.39 C ATOM 915 O PHE A1889 -114.533 52.588 43.872 1.00 33.41 O ATOM 916 CB PHE A1889 -112.435 50.073 43.342 1.00 32.82 C ATOM 917 CG PHE A1889 -111.566 51.209 43.810 1.00 34.04 C ATOM 918 CD1 PHE A1889 -111.192 51.309 45.140 1.00 35.72 C ATOM 919 CD2 PHE A1889 -111.123 52.174 42.920 1.00 33.64 C ATOM 920 CE1 PHE A1889 -110.395 52.353 45.575 1.00 36.43 C ATOM 921 CE2 PHE A1889 -110.326 53.219 43.348 1.00 34.87 C ATOM 922 CZ PHE A1889 -109.961 53.309 44.678 1.00 36.44 C ATOM 923 H PHE A1889 -114.252 48.500 42.436 1.00 0.00 H ATOM 924 N PHE A1890 -114.538 51.744 41.783 1.00 33.70 N ATOM 925 CA PHE A1890 -114.947 52.998 41.163 1.00 35.59 C ATOM 926 C PHE A1890 -116.311 53.452 41.665 1.00 37.26 C ATOM 927 O PHE A1890 -116.460 54.579 42.134 1.00 36.85 O ATOM 928 CB PHE A1890 -114.980 52.871 39.639 1.00 34.04 C ATOM 929 CG PHE A1890 -115.639 54.035 38.955 1.00 32.92 C ATOM 930 CD1 PHE A1890 -114.970 55.239 38.814 1.00 32.72 C ATOM 931 CD2 PHE A1890 -116.930 53.930 38.463 1.00 31.58 C ATOM 932 CE1 PHE A1890 -115.574 56.316 38.194 1.00 32.46 C ATOM 933 CE2 PHE A1890 -117.539 55.003 37.840 1.00 31.11 C ATOM 934 CZ PHE A1890 -116.860 56.197 37.705 1.00 31.69 C ATOM 935 H PHE A1890 -114.380 50.908 41.185 1.00 0.00 H ATOM 936 N GLU A1891 -117.299 52.569 41.561 1.00 40.77 N ATOM 937 CA GLU A1891 -118.662 52.885 41.975 1.00 46.63 C ATOM 938 C GLU A1891 -118.732 53.274 43.448 1.00 48.34 C ATOM 939 O GLU A1891 -119.529 54.126 43.833 1.00 48.67 O ATOM 940 CB GLU A1891 -119.592 51.700 41.705 1.00 49.72 C ATOM 941 CG GLU A1891 -119.868 51.448 40.231 1.00 49.97 C ATOM 942 CD GLU A1891 -120.788 50.264 40.004 1.00 51.27 C ATOM 943 OE1 GLU A1891 -121.283 49.693 41.000 1.00 53.38 O ATOM 944 OE2 GLU A1891 -121.019 49.904 38.831 1.00 52.46 O ATOM 945 H GLU A1891 -117.095 51.626 41.173 1.00 0.00 H ATOM 946 N SER A1892 -117.890 52.653 44.267 1.00 50.18 N ATOM 947 CA SER A1892 -117.862 52.950 45.694 1.00 53.59 C ATOM 948 C SER A1892 -117.331 54.355 45.969 1.00 55.00 C ATOM 949 O SER A1892 -117.965 55.139 46.676 1.00 56.52 O ATOM 950 CB SER A1892 -117.013 51.918 46.439 1.00 55.47 C ATOM 951 OG SER A1892 -116.975 52.203 47.826 1.00 61.86 O ATOM 952 HG SER A1892 -116.421 51.524 48.286 1.00 0.00 H ATOM 953 H SER A1892 -117.238 51.940 43.882 1.00 0.00 H ATOM 954 N ARG A1893 -116.166 54.664 45.408 1.00 54.03 N ATOM 955 CA ARG A1893 -115.536 55.967 45.607 1.00 54.83 C ATOM 956 C ARG A1893 -116.319 57.081 44.926 1.00 55.31 C ATOM 957 O ARG A1893 -116.386 58.201 45.432 1.00 57.68 O ATOM 958 CB ARG A1893 -114.095 55.955 45.089 1.00 53.42 C ATOM 959 CG ARG A1893 -113.045 56.110 46.178 1.00 54.92 C ATOM 960 CD ARG A1893 -112.982 57.547 46.677 1.00 57.53 C ATOM 961 NE ARG A1893 -111.916 57.757 47.654 1.00 60.12 N ATOM 962 CZ ARG A1893 -111.318 58.924 47.866 1.00 63.51 C ATOM 963 NH1 ARG A1893 -111.677 59.991 47.166 1.00 64.29 N ATOM 964 NH2 ARG A1893 -110.360 59.027 48.778 1.00 66.39 N ATOM 965 HE ARG A1893 -111.606 56.941 48.219 1.00 0.00 H ATOM 966 HH12 ARG A1893 -111.208 60.904 47.333 1.00 0.00 H ATOM 967 HH11 ARG A1893 -112.427 59.915 46.450 1.00 0.00 H ATOM 968 HH22 ARG A1893 -109.894 59.942 48.941 1.00 0.00 H ATOM 969 HH21 ARG A1893 -110.075 58.193 49.329 1.00 0.00 H ATOM 970 H ARG A1893 -115.690 53.958 44.811 1.00 0.00 H ATOM 971 N TRP A1894 -116.907 56.770 43.775 1.00 53.34 N ATOM 972 CA TRP A1894 -117.673 57.756 43.025 1.00 54.74 C ATOM 973 C TRP A1894 -118.935 58.161 43.774 1.00 59.52 C ATOM 974 O TRP A1894 -119.304 59.334 43.793 1.00 59.30 O ATOM 975 CB TRP A1894 -118.038 57.218 41.639 1.00 50.11 C ATOM 976 CG TRP A1894 -118.744 58.217 40.778 1.00 48.26 C ATOM 977 CD1 TRP A1894 -120.092 58.340 40.605 1.00 48.10 C ATOM 978 CD2 TRP A1894 -118.142 59.240 39.976 1.00 47.15 C ATOM 979 NE1 TRP A1894 -120.366 59.373 39.743 1.00 48.46 N ATOM 980 CE2 TRP A1894 -119.187 59.942 39.343 1.00 47.53 C ATOM 981 CE3 TRP A1894 -116.822 59.630 39.731 1.00 46.57 C ATOM 982 CZ2 TRP A1894 -118.953 61.010 38.483 1.00 47.58 C ATOM 983 CZ3 TRP A1894 -116.592 60.691 38.876 1.00 46.71 C ATOM 984 CH2 TRP A1894 -117.653 61.368 38.262 1.00 47.36 C ATOM 985 HE1 TRP A1894 -121.315 59.674 39.443 1.00 0.00 H ATOM 986 H TRP A1894 -116.818 55.803 43.403 1.00 0.00 H ATOM 987 N GLU A1895 -119.591 57.189 44.397 1.00 64.94 N ATOM 988 CA GLU A1895 -120.861 57.445 45.066 1.00 72.10 C ATOM 989 C GLU A1895 -120.685 58.067 46.446 1.00 79.50 C ATOM 990 O GLU A1895 -121.494 58.897 46.861 1.00 84.25 O ATOM 991 CB GLU A1895 -121.672 56.157 45.179 1.00 70.34 C ATOM 992 CG GLU A1895 -122.275 55.695 43.866 1.00 67.50 C ATOM 993 CD GLU A1895 -122.707 54.245 43.911 1.00 65.66 C ATOM 994 OE1 GLU A1895 -122.853 53.706 45.027 1.00 67.23 O ATOM 995 OE2 GLU A1895 -122.906 53.647 42.833 1.00 63.34 O ATOM 996 H GLU A1895 -119.192 56.229 44.408 1.00 0.00 H ATOM 997 N GLU A1896 -119.627 57.681 47.152 1.00 83.85 N ATOM 998 CA GLU A1896 -119.379 58.221 48.486 1.00 90.71 C ATOM 999 C GLU A1896 -118.969 59.693 48.421 1.00 93.37 C ATOM 1000 O GLU A1896 -118.787 60.345 49.449 1.00 98.59 O ATOM 1001 CB GLU A1896 -118.312 57.396 49.213 1.00 93.45 C ATOM 1002 CG GLU A1896 -116.880 57.865 49.011 1.00 96.15 C ATOM 1003 CD GLU A1896 -115.898 57.086 49.864 1.00 99.51 C ATOM 1004 OE1 GLU A1896 -116.182 55.909 50.173 1.00100.15 O ATOM 1005 OE2 GLU A1896 -114.850 57.652 50.239 1.00103.04 O ATOM 1006 H GLU A1896 -118.967 56.985 46.749 1.00 0.00 H ATOM 1007 N PHE A1897 -118.840 60.211 47.204 1.00 89.40 N ATOM 1008 CA PHE A1897 -118.521 61.616 46.991 1.00 89.47 C ATOM 1009 C PHE A1897 -119.713 62.382 46.427 1.00 86.69 C ATOM 1010 O PHE A1897 -120.004 63.499 46.858 1.00 87.93 O ATOM 1011 CB PHE A1897 -117.324 61.746 46.053 1.00 88.03 C ATOM 1012 CG PHE A1897 -116.871 63.159 45.841 1.00 89.58 C ATOM 1013 CD1 PHE A1897 -116.122 63.816 46.803 1.00 92.71 C ATOM 1014 CD2 PHE A1897 -117.198 63.833 44.677 1.00 88.17 C ATOM 1015 CE1 PHE A1897 -115.707 65.119 46.604 1.00 95.18 C ATOM 1016 CE2 PHE A1897 -116.786 65.134 44.473 1.00 90.66 C ATOM 1017 CZ PHE A1897 -116.039 65.778 45.438 1.00 94.25 C ATOM 1018 H PHE A1897 -118.971 59.594 46.377 1.00 0.00 H ATOM 1019 N TYR A1898 -120.397 61.776 45.460 1.00 81.86 N ATOM 1020 CA TYR A1898 -121.556 62.399 44.829 1.00 80.86 C ATOM 1021 C TYR A1898 -122.861 61.876 45.420 1.00 80.91 C ATOM 1022 O TYR A1898 -123.033 61.837 46.638 1.00 82.25 O ATOM 1023 CB TYR A1898 -121.539 62.160 43.317 1.00 77.47 C ATOM 1024 CG TYR A1898 -120.395 62.836 42.596 1.00 76.52 C ATOM 1025 CD1 TYR A1898 -120.474 64.174 42.230 1.00 79.22 C ATOM 1026 CD2 TYR A1898 -119.244 62.133 42.268 1.00 73.68 C ATOM 1027 CE1 TYR A1898 -119.432 64.795 41.567 1.00 79.36 C ATOM 1028 CE2 TYR A1898 -118.198 62.745 41.603 1.00 73.88 C ATOM 1029 CZ TYR A1898 -118.297 64.076 41.256 1.00 77.00 C ATOM 1030 OH TYR A1898 -117.259 64.690 40.596 1.00 77.85 O ATOM 1031 HH TYR A1898 -117.493 65.637 40.424 1.00 0.00 H ATOM 1032 H TYR A1898 -120.097 60.831 45.145 1.00 0.00 H TER 1033 TYR A1898 HETATM 1034 O HOH 1 -120.823 51.484 28.884 1.00 43.28 O HETATM 1035 O HOH 2 -111.262 48.403 26.249 1.00 35.64 O HETATM 1036 O HOH 3 -106.339 66.135 36.562 1.00 52.27 O HETATM 1037 O HOH 4 -121.355 48.311 43.026 1.00 40.86 O HETATM 1038 O HOH 5 -103.593 47.047 48.076 1.00 43.63 O HETATM 1039 O HOH 6 -103.755 46.829 28.042 1.00 44.55 O HETATM 1040 O HOH 7 -120.729 34.484 35.121 1.00 38.05 O HETATM 1041 O HOH 8 -106.913 47.907 28.521 1.00 32.81 O HETATM 1042 O HOH 9 -117.035 71.384 34.095 1.00 60.66 O HETATM 1043 O HOH 10 -109.788 48.534 28.821 1.00 32.24 O HETATM 1044 O HOH 11 -108.370 49.253 15.063 1.00 56.10 O HETATM 1045 O HOH 12 -111.798 46.954 29.607 1.00 29.59 O HETATM 1046 O HOH 13 -114.989 42.055 35.072 1.00 22.68 O HETATM 1047 O HOH 14 -120.575 54.379 29.669 1.00 55.73 O HETATM 1048 O HOH 15 -123.475 51.080 42.483 1.00 57.44 O HETATM 1049 O HOH 16 -102.951 56.520 32.966 1.00 52.96 O HETATM 1050 O HOH 17 -101.587 49.926 39.292 1.00 39.94 O HETATM 1051 O HOH 18 -113.789 47.739 17.028 1.00 38.85 O HETATM 1052 O HOH 19 -107.876 48.633 22.416 1.00 40.19 O HETATM 1053 O HOH 20 -111.948 44.783 27.895 1.00 28.83 O HETATM 1054 O HOH 21 -123.099 48.921 33.069 1.00 38.54 O HETATM 1055 O HOH 22 -119.528 48.761 34.027 1.00 43.32 O HETATM 1056 O HOH 23 -117.637 48.916 23.448 1.00 41.24 O HETATM 1057 O HOH 24 -102.362 62.424 40.647 1.00 39.48 O HETATM 1058 O HOH 25 -110.105 36.740 29.558 1.00 30.84 O HETATM 1059 O HOH 26 -103.079 47.593 30.620 1.00 33.77 O HETATM 1060 O HOH 27 -113.156 46.754 45.047 1.00 24.90 O HETATM 1061 O HOH 28 -101.471 47.105 17.662 1.00 38.51 O HETATM 1062 O HOH 29 -108.338 41.645 17.783 1.00 36.45 O HETATM 1063 O HOH 30 -116.209 39.693 33.589 1.00 25.60 O HETATM 1064 O HOH 31 -118.835 38.296 31.740 1.00 29.63 O HETATM 1065 O HOH 32 -102.349 54.049 32.875 1.00 40.03 O HETATM 1066 O HOH 33 -122.445 59.259 33.401 1.00 51.23 O HETATM 1067 O HOH 34 -110.695 47.913 13.361 1.00 31.32 O HETATM 1068 O HOH 35 -102.936 44.249 25.293 1.00 34.01 O HETATM 1069 O HOH 36 -108.763 51.640 24.890 1.00 33.99 O HETATM 1070 O HOH 37 -105.059 44.372 29.033 1.00 46.95 O HETATM 1071 O HOH 38 -105.232 52.621 44.996 1.00 38.18 O HETATM 1072 O HOH 39 -107.269 42.249 15.200 1.00 40.41 O HETATM 1073 O HOH 40 -121.895 46.175 41.844 1.00 29.97 O HETATM 1074 O HOH 41 -112.140 35.127 29.684 1.00 31.42 O HETATM 1075 O HOH 42 -119.514 47.573 26.382 1.00 40.54 O HETATM 1076 O HOH 43 -112.199 31.365 32.875 1.00 57.46 O HETATM 1077 O HOH 44 -108.749 49.168 25.204 1.00 35.34 O HETATM 1078 O HOH 45 -123.203 51.122 32.475 1.00 56.98 O HETATM 1079 O HOH 46 -100.668 59.043 36.164 1.00 54.77 O HETATM 1080 O HOH 47 -104.795 48.696 45.726 1.00 30.39 O HETATM 1081 O HOH 48 -114.119 54.577 22.360 1.00 50.95 O HETATM 1082 O HOH 49 -121.091 44.102 29.876 1.00 38.21 O HETATM 1083 O HOH 50 -116.298 44.473 35.968 1.00 27.02 O HETATM 1084 O HOH 51 -120.546 43.834 21.973 1.00 46.44 O HETATM 1085 O HOH 52 -108.198 36.654 31.581 1.00 36.56 O HETATM 1086 O HOH 53 -121.910 49.274 35.849 1.00 53.75 O HETATM 1087 O HOH 54 -110.846 40.870 16.186 1.00 40.71 O HETATM 1088 O HOH 55 -113.862 43.834 45.924 1.00 20.28 O HETATM 1089 O HOH 56 -120.334 51.001 23.952 1.00 48.93 O HETATM 1090 O HOH 57 -119.478 35.911 31.798 1.00 48.17 O HETATM 1091 O HOH 58 -111.899 38.700 14.898 1.00 56.88 O HETATM 1092 O HOH 59 -101.084 47.302 38.234 1.00 51.53 O HETATM 1093 O HOH 60 -125.829 51.440 43.426 1.00 44.49 O HETATM 1094 O HOH 61 -110.970 41.573 13.587 1.00 38.05 O HETATM 1095 O HOH 62 -109.253 48.266 17.601 1.00 43.12 O HETATM 1096 O HOH 63 -116.389 46.697 14.789 1.00 53.26 O HETATM 1097 O HOH 64 -102.754 41.930 26.383 1.00 56.77 O HETATM 1098 O HOH 65 -107.287 51.475 46.990 1.00 51.87 O HETATM 1099 O HOH 66 -118.965 47.416 46.539 1.00 50.13 O HETATM 1100 O HOH 67 -109.267 47.509 19.863 1.00 41.15 O HETATM 1101 O HOH 68 -100.070 54.738 33.923 1.00 47.68 O HETATM 1102 C01 UNN A 69 -105.394 37.036 25.532 1.00 -0.05 C HETATM 1103 C02 UNN A 69 -105.434 38.076 26.628 1.00 0.01 C HETATM 1104 C03 UNN A 69 -106.821 38.643 26.815 1.00 0.11 C HETATM 1105 O04 UNN A 69 -107.799 37.984 26.526 1.00 -0.39 O HETATM 1106 C05 UNN A 69 -106.974 40.038 27.368 1.00 0.02 C HETATM 1107 C06 UNN A 69 -105.932 40.889 27.686 1.00 0.05 C HETATM 1108 N07 UNN A 69 -106.474 42.026 28.145 1.00 -0.27 N HETATM 1109 C08 UNN A 69 -107.815 41.941 28.132 1.00 0.14 C HETATM 1110 C09 UNN A 69 -108.158 40.692 27.647 1.00 -0.04 C HETATM 1111 H8 UNN A 69 -109.165 40.301 27.512 1.00 0.04 H HETATM 1112 C10 UNN A 69 -108.761 43.027 28.582 1.00 0.28 C HETATM 1113 O11 UNN A 69 -109.918 43.023 28.215 1.00 -0.36 O HETATM 1114 O12 UNN A 69 -108.281 44.033 29.436 1.00 -0.28 O HETATM 1115 C13 UNN A 69 -109.052 45.212 29.443 1.00 0.06 C HETATM 1116 H9 UNN A 69 -108.604 45.939 30.136 1.00 0.06 H HETATM 1117 H10 UNN A 69 -110.076 44.978 29.769 1.00 0.06 H HETATM 1118 H11 UNN A 69 -109.078 45.639 28.430 1.00 0.06 H HETATM 1119 H7 UNN A 69 -105.939 42.847 28.462 1.00 0.24 H HETATM 1120 H6 UNN A 69 -104.869 40.676 27.583 1.00 0.10 H HETATM 1121 H4 UNN A 69 -104.747 38.895 26.367 1.00 0.05 H HETATM 1122 H5 UNN A 69 -105.109 37.612 27.571 1.00 0.05 H HETATM 1123 H1 UNN A 69 -104.369 36.651 25.430 1.00 0.03 H HETATM 1124 H2 UNN A 69 -105.711 37.492 24.582 1.00 0.03 H HETATM 1125 H3 UNN A 69 -106.073 36.209 25.786 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1102 1103 1123 1124 1125 CONECT 1103 1102 1104 1121 1122 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 1107 1110 CONECT 1107 1106 1108 1120 CONECT 1108 1107 1109 1119 CONECT 1109 1108 1110 1112 CONECT 1110 1106 1109 1111 CONECT 1111 1110 CONECT 1112 1109 1113 1114 CONECT 1113 1112 CONECT 1114 1112 1115 CONECT 1115 1114 1116 1117 1118 CONECT 1116 1115 CONECT 1117 1115 CONECT 1118 1115 CONECT 1119 1108 CONECT 1120 1107 CONECT 1121 1103 CONECT 1122 1103 CONECT 1123 1102 CONECT 1124 1102 CONECT 1125 1102 MASTER 0 0 0 0 0 0 0 0 1124 1 28 8 END
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Structure:
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Related entries of code: 5mgk
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%
5mgl
RCSB PDB
PDBbind
105aa, >5MGL_1|Chain... at 100%
5mgm
RCSB PDB
PDBbind
105aa, >5MGM_1|Chain... at 100%
6fg6
RCSB PDB
PDBbind
105aa, >6FG6_1|Chain... at 100%
6fgf
RCSB PDB
PDBbind
105aa, >6FGF_1|Chain... at 100%
6fgg
RCSB PDB
PDBbind
106aa, >6FGG_1|Chain... at 100%
6fgl
RCSB PDB
PDBbind
105aa, >6FGL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5mgf
RCSB PDB
PDBbind
7MW
Entry Information
PDB ID
5mgk
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2A
Ligand Name
7MW
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=100uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Eur J Med Chem Vol. 139: pp. 564-572
Ligand Properties
Formula
C
9
H
1
1
NO
3
Molecular Weight
181.189
Exact Mass
181.074
No. of atoms
24
No. of bonds
24
Polar Surface Area
59.16
LOGP Value
1.05 (
Computed with XLOGP3
)
1.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
CCC(=O)c1c[nH]c(c1)C(=O)OC
InChI String
InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UIF9
Entrez Gene ID
NCBI Entrez Gene ID:
11176
ASD
Information of known allosteric effects of PDB entries
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