Browse entries in the PDBbind-CN Database
HEADER 5MGM_COMPLEX COMPND 5MGM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 LEU THR PHE CYS GLU ILE ILE LEU MET GLU MET GLU SER SEQRES 2 A 100 HIS ASP ALA ALA TRP PRO PHE LEU GLU PRO VAL ASN PRO SEQRES 3 A 100 ARG LEU VAL SER GLY TYR ARG ARG ILE ILE LYS ASN PRO SEQRES 4 A 100 MET ASP PHE SER THR MET ARG GLU ARG LEU LEU ARG GLY SEQRES 5 A 100 GLY TYR THR SER SER GLU GLU PHE ALA ALA ASP ALA LEU SEQRES 6 A 100 LEU VAL PHE ASP ASN CYS GLN THR PHE ASN GLU ASP ASP SEQRES 7 A 100 SER GLU VAL GLY LYS ALA GLY HIS ILE MET ARG ARG PHE SEQRES 8 A 100 PHE GLU SER ARG TRP GLU GLU PHE TYR HET UNN A 124 26 ATOM 1 N LEU A1799 -113.886 68.013 38.407 1.00 62.96 N ATOM 2 CA LEU A1799 -112.774 67.324 37.676 1.00 63.04 C ATOM 3 C LEU A1799 -111.545 67.013 38.540 1.00 63.02 C ATOM 4 O LEU A1799 -110.633 66.318 38.086 1.00 61.88 O ATOM 5 CB LEU A1799 -112.347 68.138 36.446 1.00 62.95 C ATOM 6 CG LEU A1799 -112.923 67.656 35.110 1.00 63.10 C ATOM 7 CD1 LEU A1799 -114.424 67.889 35.045 1.00 62.93 C ATOM 8 CD2 LEU A1799 -112.223 68.335 33.941 1.00 63.55 C ATOM 9 HN3 LEU A1799 -113.542 68.919 38.784 1.00 0.00 H ATOM 10 HN2 LEU A1799 -114.210 67.411 39.191 1.00 0.00 H ATOM 11 HN1 LEU A1799 -114.675 68.186 37.752 1.00 0.00 H ATOM 12 N THR A1800 -111.510 67.526 39.768 1.00 63.51 N ATOM 13 CA THR A1800 -110.413 67.224 40.684 1.00 64.16 C ATOM 14 C THR A1800 -110.539 65.798 41.223 1.00 64.03 C ATOM 15 O THR A1800 -109.531 65.116 41.408 1.00 64.48 O ATOM 16 CB THR A1800 -110.354 68.226 41.855 1.00 64.43 C ATOM 17 OG1 THR A1800 -110.383 69.563 41.343 1.00 64.26 O ATOM 18 CG2 THR A1800 -109.080 68.030 42.679 1.00 64.22 C ATOM 19 HG1 THR A1800 -110.345 70.204 42.096 1.00 0.00 H ATOM 20 H THR A1800 -112.278 68.153 40.081 1.00 0.00 H ATOM 21 N PHE A1801 -111.770 65.348 41.467 1.00 63.39 N ATOM 22 CA PHE A1801 -112.004 63.970 41.906 1.00 63.30 C ATOM 23 C PHE A1801 -111.742 62.968 40.777 1.00 60.99 C ATOM 24 O PHE A1801 -111.355 61.827 41.034 1.00 60.19 O ATOM 25 CB PHE A1801 -113.424 63.795 42.459 1.00 65.17 C ATOM 26 CG PHE A1801 -113.606 62.528 43.254 1.00 67.70 C ATOM 27 CD1 PHE A1801 -113.061 62.409 44.529 1.00 69.00 C ATOM 28 CD2 PHE A1801 -114.309 61.449 42.728 1.00 68.93 C ATOM 29 CE1 PHE A1801 -113.219 61.244 45.266 1.00 68.99 C ATOM 30 CE2 PHE A1801 -114.470 60.282 43.461 1.00 68.99 C ATOM 31 CZ PHE A1801 -113.923 60.179 44.730 1.00 69.14 C ATOM 32 H PHE A1801 -112.580 65.988 41.343 1.00 0.00 H ATOM 33 N CYS A1802 -111.952 63.398 39.534 1.00 59.17 N ATOM 34 CA CYS A1802 -111.604 62.587 38.364 1.00 57.92 C ATOM 35 C CYS A1802 -110.101 62.307 38.314 1.00 55.50 C ATOM 36 O CYS A1802 -109.674 61.231 37.897 1.00 54.58 O ATOM 37 CB CYS A1802 -112.050 63.283 37.073 1.00 58.26 C ATOM 38 SG CYS A1802 -113.838 63.532 36.938 1.00 59.21 S ATOM 39 H CYS A1802 -112.375 64.337 39.389 1.00 0.00 H ATOM 40 N GLU A1803 -109.306 63.285 38.737 1.00 53.51 N ATOM 41 CA GLU A1803 -107.867 63.104 38.870 1.00 52.11 C ATOM 42 C GLU A1803 -107.557 62.140 40.014 1.00 49.91 C ATOM 43 O GLU A1803 -106.772 61.205 39.854 1.00 48.57 O ATOM 44 CB GLU A1803 -107.180 64.457 39.107 1.00 52.83 C ATOM 45 CG GLU A1803 -105.686 64.374 39.388 1.00 54.10 C ATOM 46 CD GLU A1803 -104.923 63.667 38.286 1.00 55.00 C ATOM 47 OE1 GLU A1803 -104.979 64.144 37.129 1.00 55.33 O ATOM 48 OE2 GLU A1803 -104.265 62.640 38.572 1.00 53.79 O ATOM 49 H GLU A1803 -109.724 64.206 38.980 1.00 0.00 H ATOM 50 N ILE A1804 -108.187 62.373 41.162 1.00 48.22 N ATOM 51 CA ILE A1804 -107.942 61.568 42.357 1.00 47.16 C ATOM 52 C ILE A1804 -108.291 60.102 42.110 1.00 46.20 C ATOM 53 O ILE A1804 -107.513 59.212 42.447 1.00 46.24 O ATOM 54 CB ILE A1804 -108.734 62.096 43.577 1.00 47.23 C ATOM 55 CG1 ILE A1804 -108.231 63.486 43.983 1.00 47.12 C ATOM 56 CG2 ILE A1804 -108.602 61.147 44.764 1.00 47.73 C ATOM 57 CD1 ILE A1804 -109.181 64.252 44.881 1.00 47.13 C ATOM 58 H ILE A1804 -108.875 63.152 41.211 1.00 0.00 H ATOM 59 N ILE A1805 -109.458 59.857 41.520 1.00 45.33 N ATOM 60 CA ILE A1805 -109.915 58.487 41.269 1.00 44.70 C ATOM 61 C ILE A1805 -109.120 57.795 40.152 1.00 43.15 C ATOM 62 O ILE A1805 -108.879 56.590 40.229 1.00 42.67 O ATOM 63 CB ILE A1805 -111.436 58.432 40.978 1.00 45.24 C ATOM 64 CG1 ILE A1805 -111.970 57.011 41.176 1.00 45.51 C ATOM 65 CG2 ILE A1805 -111.757 58.933 39.575 1.00 45.76 C ATOM 66 CD1 ILE A1805 -113.482 56.929 41.176 1.00 45.81 C ATOM 67 H ILE A1805 -110.059 60.655 41.231 1.00 0.00 H ATOM 68 N LEU A1806 -108.706 58.550 39.132 1.00 41.67 N ATOM 69 CA LEU A1806 -107.888 57.995 38.050 1.00 40.98 C ATOM 70 C LEU A1806 -106.481 57.683 38.548 1.00 41.67 C ATOM 71 O LEU A1806 -105.915 56.645 38.208 1.00 41.63 O ATOM 72 CB LEU A1806 -107.822 58.953 36.858 1.00 40.38 C ATOM 73 CG LEU A1806 -107.091 58.456 35.602 1.00 40.19 C ATOM 74 CD1 LEU A1806 -107.602 57.096 35.137 1.00 39.86 C ATOM 75 CD2 LEU A1806 -107.213 59.485 34.487 1.00 39.91 C ATOM 76 H LEU A1806 -108.970 59.556 39.104 1.00 0.00 H ATOM 77 N MET A1807 -105.922 58.588 39.347 1.00 42.73 N ATOM 78 CA MET A1807 -104.655 58.343 40.029 1.00 43.74 C ATOM 79 C MET A1807 -104.730 57.040 40.818 1.00 42.68 C ATOM 80 O MET A1807 -103.874 56.167 40.669 1.00 43.02 O ATOM 81 CB MET A1807 -104.342 59.501 40.978 1.00 46.88 C ATOM 82 CG MET A1807 -103.105 59.315 41.849 1.00 49.78 C ATOM 83 SD MET A1807 -103.045 60.509 43.206 1.00 54.23 S ATOM 84 CE MET A1807 -104.265 59.831 44.334 1.00 53.37 C ATOM 85 H MET A1807 -106.403 59.499 39.490 1.00 0.00 H ATOM 86 N GLU A1808 -105.765 56.920 41.647 1.00 41.03 N ATOM 87 CA GLU A1808 -105.937 55.758 42.522 1.00 39.88 C ATOM 88 C GLU A1808 -106.253 54.480 41.762 1.00 37.68 C ATOM 89 O GLU A1808 -105.895 53.393 42.209 1.00 37.20 O ATOM 90 CB GLU A1808 -107.024 56.023 43.563 1.00 41.38 C ATOM 91 CG GLU A1808 -106.592 57.005 44.642 1.00 42.94 C ATOM 92 CD GLU A1808 -107.720 57.402 45.576 1.00 44.02 C ATOM 93 OE1 GLU A1808 -108.897 57.370 45.156 1.00 45.11 O ATOM 94 OE2 GLU A1808 -107.423 57.760 46.735 1.00 44.29 O ATOM 95 H GLU A1808 -106.476 57.678 41.674 1.00 0.00 H ATOM 96 N MET A1809 -106.932 54.608 40.625 1.00 36.38 N ATOM 97 CA MET A1809 -107.181 53.459 39.752 1.00 35.68 C ATOM 98 C MET A1809 -105.903 53.025 39.046 1.00 34.90 C ATOM 99 O MET A1809 -105.614 51.836 38.980 1.00 34.65 O ATOM 100 CB MET A1809 -108.271 53.765 38.717 1.00 35.99 C ATOM 101 CG MET A1809 -109.687 53.572 39.233 1.00 36.00 C ATOM 102 SD MET A1809 -110.901 53.606 37.904 1.00 37.01 S ATOM 103 CE MET A1809 -110.853 55.329 37.411 1.00 36.66 C ATOM 104 H MET A1809 -107.293 55.544 40.350 1.00 0.00 H ATOM 105 N GLU A1810 -105.145 53.989 38.527 1.00 34.74 N ATOM 106 CA GLU A1810 -103.848 53.713 37.887 1.00 34.70 C ATOM 107 C GLU A1810 -102.860 53.008 38.819 1.00 34.17 C ATOM 108 O GLU A1810 -102.169 52.069 38.411 1.00 33.70 O ATOM 109 CB GLU A1810 -103.223 55.008 37.363 1.00 35.07 C ATOM 110 CG GLU A1810 -103.843 55.488 36.061 1.00 36.03 C ATOM 111 CD GLU A1810 -103.331 56.845 35.617 1.00 36.86 C ATOM 112 OE1 GLU A1810 -103.140 57.730 36.483 1.00 36.97 O ATOM 113 OE2 GLU A1810 -103.134 57.029 34.392 1.00 37.82 O ATOM 114 H GLU A1810 -105.481 54.972 38.575 1.00 0.00 H ATOM 115 N SER A1811 -102.811 53.459 40.071 1.00 33.31 N ATOM 116 CA SER A1811 -101.897 52.904 41.066 1.00 33.17 C ATOM 117 C SER A1811 -102.469 51.697 41.830 1.00 32.72 C ATOM 118 O SER A1811 -101.807 51.155 42.715 1.00 32.76 O ATOM 119 CB SER A1811 -101.511 53.998 42.052 1.00 33.60 C ATOM 120 OG SER A1811 -102.671 54.548 42.643 1.00 34.65 O ATOM 121 HG SER A1811 -103.248 54.934 41.937 1.00 0.00 H ATOM 122 H SER A1811 -103.446 54.234 40.350 1.00 0.00 H ATOM 123 N HIS A1812 -103.684 51.279 41.483 1.00 32.12 N ATOM 124 CA HIS A1812 -104.325 50.112 42.096 1.00 31.47 C ATOM 125 C HIS A1812 -103.616 48.820 41.666 1.00 31.27 C ATOM 126 O HIS A1812 -103.021 48.766 40.593 1.00 31.51 O ATOM 127 CB HIS A1812 -105.802 50.074 41.687 1.00 31.30 C ATOM 128 CG HIS A1812 -106.669 49.262 42.596 1.00 31.23 C ATOM 129 ND1 HIS A1812 -106.785 47.895 42.483 1.00 31.19 N ATOM 130 CD2 HIS A1812 -107.486 49.625 43.612 1.00 31.46 C ATOM 131 CE1 HIS A1812 -107.622 47.446 43.399 1.00 31.02 C ATOM 132 NE2 HIS A1812 -108.064 48.476 44.097 1.00 31.29 N ATOM 133 H HIS A1812 -104.200 51.802 40.747 1.00 0.00 H ATOM 134 N ASP A1813 -103.678 47.788 42.506 1.00 31.49 N ATOM 135 CA ASP A1813 -103.009 46.510 42.225 1.00 31.75 C ATOM 136 C ASP A1813 -103.613 45.807 41.016 1.00 31.66 C ATOM 137 O ASP A1813 -102.898 45.415 40.094 1.00 33.02 O ATOM 138 CB ASP A1813 -103.095 45.562 43.430 1.00 32.57 C ATOM 139 CG ASP A1813 -102.206 45.985 44.588 1.00 33.18 C ATOM 140 OD1 ASP A1813 -101.679 47.121 44.579 1.00 33.81 O ATOM 141 OD2 ASP A1813 -102.042 45.168 45.521 1.00 33.53 O ATOM 142 H ASP A1813 -104.217 47.890 43.389 1.00 0.00 H ATOM 143 N ALA A1814 -104.930 45.630 41.045 1.00 30.83 N ATOM 144 CA ALA A1814 -105.686 45.014 39.945 1.00 30.37 C ATOM 145 C ALA A1814 -105.838 45.851 38.656 1.00 29.78 C ATOM 146 O ALA A1814 -106.567 45.442 37.749 1.00 29.54 O ATOM 147 CB ALA A1814 -107.065 44.604 40.450 1.00 30.29 C ATOM 148 H ALA A1814 -105.452 45.943 41.888 1.00 0.00 H ATOM 149 N ALA A1815 -105.159 46.996 38.559 1.00 29.31 N ATOM 150 CA ALA A1815 -105.275 47.873 37.379 1.00 29.31 C ATOM 151 C ALA A1815 -104.482 47.403 36.151 1.00 29.11 C ATOM 152 O ALA A1815 -104.687 47.919 35.052 1.00 28.58 O ATOM 153 CB ALA A1815 -104.859 49.291 37.742 1.00 28.97 C ATOM 154 H ALA A1815 -104.530 47.278 39.338 1.00 0.00 H ATOM 155 N TRP A1816 -103.597 46.424 36.335 1.00 29.52 N ATOM 156 CA TRP A1816 -102.657 46.004 35.288 1.00 29.79 C ATOM 157 C TRP A1816 -103.258 45.718 33.898 1.00 30.66 C ATOM 158 O TRP A1816 -102.625 46.051 32.893 1.00 32.06 O ATOM 159 CB TRP A1816 -101.781 44.838 35.768 1.00 29.39 C ATOM 160 CG TRP A1816 -102.523 43.589 36.104 1.00 29.27 C ATOM 161 CD1 TRP A1816 -102.945 43.197 37.339 1.00 29.03 C ATOM 162 CD2 TRP A1816 -102.923 42.555 35.194 1.00 29.38 C ATOM 163 NE1 TRP A1816 -103.589 41.985 37.257 1.00 29.24 N ATOM 164 CE2 TRP A1816 -103.590 41.569 35.951 1.00 29.41 C ATOM 165 CE3 TRP A1816 -102.793 42.373 33.810 1.00 29.35 C ATOM 166 CZ2 TRP A1816 -104.123 40.411 35.372 1.00 29.53 C ATOM 167 CZ3 TRP A1816 -103.323 41.221 33.234 1.00 29.37 C ATOM 168 CH2 TRP A1816 -103.979 40.256 34.017 1.00 29.47 C ATOM 169 HE1 TRP A1816 -104.008 41.468 38.056 1.00 0.00 H ATOM 170 H TRP A1816 -103.571 45.939 37.255 1.00 0.00 H ATOM 171 N PRO A1817 -104.462 45.107 33.821 1.00 30.58 N ATOM 172 CA PRO A1817 -104.992 44.856 32.476 1.00 30.38 C ATOM 173 C PRO A1817 -105.550 46.080 31.738 1.00 30.57 C ATOM 174 O PRO A1817 -105.888 45.967 30.557 1.00 30.20 O ATOM 175 CB PRO A1817 -106.122 43.837 32.725 1.00 30.41 C ATOM 176 CG PRO A1817 -106.098 43.518 34.186 1.00 30.47 C ATOM 177 CD PRO A1817 -105.416 44.672 34.855 1.00 30.53 C ATOM 178 N PHE A1818 -105.640 47.224 32.421 1.00 30.98 N ATOM 179 CA PHE A1818 -106.316 48.414 31.885 1.00 31.37 C ATOM 180 C PHE A1818 -105.426 49.659 31.861 1.00 32.58 C ATOM 181 O PHE A1818 -105.922 50.771 31.667 1.00 32.03 O ATOM 182 CB PHE A1818 -107.575 48.694 32.718 1.00 30.81 C ATOM 183 CG PHE A1818 -108.327 47.449 33.103 1.00 30.58 C ATOM 184 CD1 PHE A1818 -109.108 46.777 32.169 1.00 30.43 C ATOM 185 CD2 PHE A1818 -108.230 46.928 34.387 1.00 30.11 C ATOM 186 CE1 PHE A1818 -109.789 45.619 32.513 1.00 30.31 C ATOM 187 CE2 PHE A1818 -108.909 45.772 34.736 1.00 29.98 C ATOM 188 CZ PHE A1818 -109.689 45.117 33.798 1.00 30.23 C ATOM 189 H PHE A1818 -105.215 47.275 33.369 1.00 0.00 H ATOM 190 N LEU A1819 -104.119 49.468 32.045 1.00 34.53 N ATOM 191 CA LEU A1819 -103.163 50.578 32.096 1.00 35.89 C ATOM 192 C LEU A1819 -102.868 51.113 30.704 1.00 38.09 C ATOM 193 O LEU A1819 -102.829 52.327 30.499 1.00 37.90 O ATOM 194 CB LEU A1819 -101.852 50.138 32.754 1.00 35.45 C ATOM 195 CG LEU A1819 -101.881 49.887 34.264 1.00 34.92 C ATOM 196 CD1 LEU A1819 -100.625 49.152 34.707 1.00 34.70 C ATOM 197 CD2 LEU A1819 -102.034 51.192 35.030 1.00 34.86 C ATOM 198 H LEU A1819 -103.765 48.496 32.156 1.00 0.00 H ATOM 199 N GLU A1820 -102.640 50.196 29.763 1.00 41.01 N ATOM 200 CA GLU A1820 -102.405 50.537 28.358 1.00 43.19 C ATOM 201 C GLU A1820 -103.476 49.881 27.477 1.00 42.68 C ATOM 202 O GLU A1820 -104.112 48.914 27.902 1.00 42.48 O ATOM 203 CB GLU A1820 -101.005 50.078 27.924 1.00 44.88 C ATOM 204 CG GLU A1820 -99.854 50.759 28.663 1.00 46.72 C ATOM 205 CD GLU A1820 -99.811 52.270 28.458 1.00 48.91 C ATOM 206 OE1 GLU A1820 -100.255 52.750 27.389 1.00 50.46 O ATOM 207 OE2 GLU A1820 -99.326 52.983 29.367 1.00 50.03 O ATOM 208 H GLU A1820 -102.629 49.193 30.039 1.00 0.00 H ATOM 209 N PRO A1821 -103.684 50.406 26.250 1.00 41.88 N ATOM 210 CA PRO A1821 -104.716 49.837 25.379 1.00 41.31 C ATOM 211 C PRO A1821 -104.404 48.405 24.963 1.00 40.86 C ATOM 212 O PRO A1821 -103.238 48.050 24.782 1.00 41.07 O ATOM 213 CB PRO A1821 -104.706 50.763 24.152 1.00 41.03 C ATOM 214 CG PRO A1821 -103.988 51.994 24.582 1.00 41.24 C ATOM 215 CD PRO A1821 -102.993 51.534 25.601 1.00 41.80 C ATOM 216 N VAL A1822 -105.444 47.593 24.815 1.00 40.49 N ATOM 217 CA VAL A1822 -105.270 46.203 24.414 1.00 40.37 C ATOM 218 C VAL A1822 -104.690 46.175 23.005 1.00 40.30 C ATOM 219 O VAL A1822 -105.152 46.904 22.125 1.00 40.34 O ATOM 220 CB VAL A1822 -106.605 45.426 24.447 1.00 40.34 C ATOM 221 CG1 VAL A1822 -106.427 44.017 23.889 1.00 40.13 C ATOM 222 CG2 VAL A1822 -107.158 45.379 25.868 1.00 40.19 C ATOM 223 H VAL A1822 -106.403 47.957 24.989 1.00 0.00 H ATOM 224 N ASN A1823 -103.664 45.352 22.806 1.00 40.40 N ATOM 225 CA ASN A1823 -103.056 45.178 21.491 1.00 40.53 C ATOM 226 C ASN A1823 -103.782 44.055 20.738 1.00 39.92 C ATOM 227 O ASN A1823 -103.628 42.880 21.081 1.00 39.49 O ATOM 228 CB ASN A1823 -101.565 44.858 21.638 1.00 40.92 C ATOM 229 CG ASN A1823 -100.824 44.847 20.309 1.00 41.14 C ATOM 230 OD1 ASN A1823 -101.423 44.960 19.238 1.00 41.90 O ATOM 231 ND2 ASN A1823 -99.505 44.704 20.377 1.00 40.91 N ATOM 232 HD22 ASN A1823 -99.039 44.612 21.302 1.00 0.00 H ATOM 233 HD21 ASN A1823 -98.938 44.684 19.505 1.00 0.00 H ATOM 234 H ASN A1823 -103.284 44.816 23.612 1.00 0.00 H ATOM 235 N PRO A1824 -104.574 44.412 19.706 1.00 39.68 N ATOM 236 CA PRO A1824 -105.381 43.412 18.997 1.00 39.81 C ATOM 237 C PRO A1824 -104.555 42.401 18.197 1.00 40.08 C ATOM 238 O PRO A1824 -105.070 41.343 17.831 1.00 39.75 O ATOM 239 CB PRO A1824 -106.248 44.258 18.064 1.00 39.64 C ATOM 240 CG PRO A1824 -105.445 45.484 17.820 1.00 39.62 C ATOM 241 CD PRO A1824 -104.706 45.750 19.097 1.00 39.58 C ATOM 242 N ARG A1825 -103.294 42.732 17.924 1.00 40.59 N ATOM 243 CA ARG A1825 -102.355 41.785 17.325 1.00 40.77 C ATOM 244 C ARG A1825 -102.054 40.646 18.297 1.00 41.45 C ATOM 245 O ARG A1825 -101.933 39.491 17.890 1.00 41.69 O ATOM 246 CB ARG A1825 -101.048 42.484 16.947 1.00 40.80 C ATOM 247 CG ARG A1825 -101.172 43.550 15.869 1.00 41.07 C ATOM 248 CD ARG A1825 -99.868 44.320 15.736 1.00 41.78 C ATOM 249 NE ARG A1825 -99.880 45.283 14.637 1.00 42.54 N ATOM 250 CZ ARG A1825 -98.842 46.045 14.290 1.00 42.75 C ATOM 251 NH1 ARG A1825 -97.691 45.975 14.955 1.00 42.48 N ATOM 252 NH2 ARG A1825 -98.954 46.889 13.269 1.00 43.18 N ATOM 253 HE ARG A1825 -100.758 45.381 14.088 1.00 0.00 H ATOM 254 HH12 ARG A1825 -96.890 46.575 14.673 1.00 0.00 H ATOM 255 HH11 ARG A1825 -97.593 45.320 15.757 1.00 0.00 H ATOM 256 HH22 ARG A1825 -98.146 47.485 12.996 1.00 0.00 H ATOM 257 HH21 ARG A1825 -99.849 46.954 12.744 1.00 0.00 H ATOM 258 H ARG A1825 -102.967 43.694 18.144 1.00 0.00 H ATOM 259 N LEU A1826 -101.929 40.984 19.580 1.00 42.30 N ATOM 260 CA LEU A1826 -101.622 40.007 20.625 1.00 42.43 C ATOM 261 C LEU A1826 -102.872 39.297 21.134 1.00 42.95 C ATOM 262 O LEU A1826 -102.840 38.091 21.393 1.00 43.02 O ATOM 263 CB LEU A1826 -100.906 40.690 21.793 1.00 42.64 C ATOM 264 CG LEU A1826 -99.575 41.374 21.454 1.00 43.06 C ATOM 265 CD1 LEU A1826 -99.054 42.176 22.640 1.00 42.90 C ATOM 266 CD2 LEU A1826 -98.539 40.352 20.998 1.00 43.02 C ATOM 267 H LEU A1826 -102.055 41.981 19.849 1.00 0.00 H ATOM 268 N VAL A1827 -103.965 40.042 21.282 1.00 43.28 N ATOM 269 CA VAL A1827 -105.213 39.484 21.804 1.00 43.07 C ATOM 270 C VAL A1827 -106.142 39.084 20.657 1.00 42.62 C ATOM 271 O VAL A1827 -106.710 39.938 19.968 1.00 41.66 O ATOM 272 CB VAL A1827 -105.921 40.476 22.750 1.00 43.39 C ATOM 273 CG1 VAL A1827 -107.145 39.827 23.384 1.00 43.49 C ATOM 274 CG2 VAL A1827 -104.957 40.955 23.828 1.00 43.53 C ATOM 275 H VAL A1827 -103.931 41.048 21.020 1.00 0.00 H ATOM 276 N SER A1828 -106.294 37.775 20.472 1.00 42.24 N ATOM 277 CA SER A1828 -107.063 37.228 19.360 1.00 42.44 C ATOM 278 C SER A1828 -108.571 37.405 19.555 1.00 41.81 C ATOM 279 O SER A1828 -109.148 36.869 20.505 1.00 41.75 O ATOM 280 CB SER A1828 -106.739 35.743 19.184 1.00 42.98 C ATOM 281 OG SER A1828 -107.373 35.217 18.031 1.00 43.89 O ATOM 282 HG SER A1828 -108.354 35.320 18.119 1.00 0.00 H ATOM 283 H SER A1828 -105.848 37.119 21.144 1.00 0.00 H ATOM 284 N GLY A1829 -109.196 38.155 18.647 1.00 40.76 N ATOM 285 CA GLY A1829 -110.649 38.352 18.647 1.00 39.54 C ATOM 286 C GLY A1829 -111.122 39.665 19.249 1.00 38.54 C ATOM 287 O GLY A1829 -112.314 39.964 19.207 1.00 37.63 O ATOM 288 H GLY A1829 -108.630 38.619 17.908 1.00 0.00 H ATOM 289 N TYR A1830 -110.196 40.455 19.796 1.00 38.17 N ATOM 290 CA TYR A1830 -110.547 41.683 20.520 1.00 37.42 C ATOM 291 C TYR A1830 -111.080 42.780 19.600 1.00 37.26 C ATOM 292 O TYR A1830 -112.027 43.486 19.951 1.00 36.73 O ATOM 293 CB TYR A1830 -109.340 42.214 21.309 1.00 36.84 C ATOM 294 CG TYR A1830 -109.719 43.236 22.358 1.00 36.44 C ATOM 295 CD1 TYR A1830 -110.191 42.836 23.608 1.00 36.74 C ATOM 296 CD2 TYR A1830 -109.628 44.597 22.099 1.00 35.88 C ATOM 297 CE1 TYR A1830 -110.551 43.767 24.572 1.00 36.25 C ATOM 298 CE2 TYR A1830 -109.987 45.535 23.054 1.00 35.93 C ATOM 299 CZ TYR A1830 -110.447 45.119 24.290 1.00 35.91 C ATOM 300 OH TYR A1830 -110.804 46.056 25.237 1.00 35.39 O ATOM 301 HH TYR A1830 -111.109 45.594 26.058 1.00 0.00 H ATOM 302 H TYR A1830 -109.194 40.192 19.707 1.00 0.00 H ATOM 303 N ARG A1831 -110.460 42.921 18.432 1.00 37.82 N ATOM 304 CA ARG A1831 -110.852 43.932 17.452 1.00 38.38 C ATOM 305 C ARG A1831 -112.310 43.738 17.033 1.00 37.92 C ATOM 306 O ARG A1831 -113.097 44.690 17.003 1.00 36.73 O ATOM 307 CB ARG A1831 -109.936 43.843 16.227 1.00 39.66 C ATOM 308 CG ARG A1831 -110.115 44.957 15.205 1.00 40.88 C ATOM 309 CD ARG A1831 -109.410 44.625 13.895 1.00 41.76 C ATOM 310 NE ARG A1831 -107.966 44.437 14.058 1.00 42.70 N ATOM 311 CZ ARG A1831 -107.077 45.417 14.237 1.00 43.19 C ATOM 312 NH1 ARG A1831 -107.463 46.691 14.293 1.00 43.58 N ATOM 313 NH2 ARG A1831 -105.787 45.121 14.371 1.00 43.13 N ATOM 314 HE ARG A1831 -107.605 43.462 14.032 1.00 0.00 H ATOM 315 HH12 ARG A1831 -106.758 47.442 14.433 1.00 0.00 H ATOM 316 HH11 ARG A1831 -108.470 46.934 14.197 1.00 0.00 H ATOM 317 HH22 ARG A1831 -105.091 45.881 14.511 1.00 0.00 H ATOM 318 HH21 ARG A1831 -105.475 44.130 14.336 1.00 0.00 H ATOM 319 H ARG A1831 -109.666 42.288 18.207 1.00 0.00 H ATOM 320 N ARG A1832 -112.649 42.489 16.725 1.00 37.76 N ATOM 321 CA ARG A1832 -113.984 42.109 16.261 1.00 37.82 C ATOM 322 C ARG A1832 -115.074 42.317 17.316 1.00 36.30 C ATOM 323 O ARG A1832 -116.177 42.762 16.988 1.00 35.12 O ATOM 324 CB ARG A1832 -113.960 40.638 15.814 1.00 39.33 C ATOM 325 CG ARG A1832 -115.309 40.056 15.422 1.00 40.82 C ATOM 326 CD ARG A1832 -115.163 38.714 14.713 1.00 42.24 C ATOM 327 NE ARG A1832 -114.269 37.779 15.408 1.00 43.36 N ATOM 328 CZ ARG A1832 -114.579 37.082 16.506 1.00 43.91 C ATOM 329 NH1 ARG A1832 -115.773 37.202 17.086 1.00 43.92 N ATOM 330 NH2 ARG A1832 -113.677 36.259 17.038 1.00 43.59 N ATOM 331 HE ARG A1832 -113.316 37.648 15.013 1.00 0.00 H ATOM 332 HH12 ARG A1832 -115.994 36.651 17.940 1.00 0.00 H ATOM 333 HH11 ARG A1832 -116.483 37.847 16.685 1.00 0.00 H ATOM 334 HH22 ARG A1832 -113.911 35.713 17.892 1.00 0.00 H ATOM 335 HH21 ARG A1832 -112.739 36.162 16.599 1.00 0.00 H ATOM 336 H ARG A1832 -111.929 41.745 16.819 1.00 0.00 H ATOM 337 N ILE A1833 -114.755 41.995 18.570 1.00 35.09 N ATOM 338 CA ILE A1833 -115.743 41.952 19.657 1.00 34.52 C ATOM 339 C ILE A1833 -115.978 43.310 20.330 1.00 34.56 C ATOM 340 O ILE A1833 -117.121 43.654 20.647 1.00 34.35 O ATOM 341 CB ILE A1833 -115.345 40.901 20.722 1.00 34.04 C ATOM 342 CG1 ILE A1833 -115.419 39.494 20.119 1.00 33.67 C ATOM 343 CG2 ILE A1833 -116.247 40.986 21.949 1.00 34.14 C ATOM 344 CD1 ILE A1833 -114.821 38.411 20.991 1.00 33.46 C ATOM 345 H ILE A1833 -113.765 41.764 18.788 1.00 0.00 H ATOM 346 N ILE A1834 -114.907 44.070 20.555 1.00 34.40 N ATOM 347 CA ILE A1834 -115.004 45.360 21.246 1.00 34.75 C ATOM 348 C ILE A1834 -115.004 46.515 20.242 1.00 35.62 C ATOM 349 O ILE A1834 -113.990 46.784 19.594 1.00 35.14 O ATOM 350 CB ILE A1834 -113.855 45.535 22.268 1.00 34.10 C ATOM 351 CG1 ILE A1834 -113.865 44.391 23.294 1.00 33.96 C ATOM 352 CG2 ILE A1834 -113.952 46.882 22.976 1.00 34.07 C ATOM 353 CD1 ILE A1834 -115.126 44.284 24.129 1.00 33.77 C ATOM 354 H ILE A1834 -113.976 43.739 20.231 1.00 0.00 H ATOM 355 N LYS A1835 -116.145 47.194 20.128 1.00 37.11 N ATOM 356 CA LYS A1835 -116.319 48.271 19.152 1.00 38.74 C ATOM 357 C LYS A1835 -115.652 49.566 19.587 1.00 38.81 C ATOM 358 O LYS A1835 -115.056 50.262 18.765 1.00 39.26 O ATOM 359 CB LYS A1835 -117.807 48.536 18.895 1.00 40.46 C ATOM 360 CG LYS A1835 -118.566 47.359 18.303 1.00 42.43 C ATOM 361 CD LYS A1835 -118.133 47.046 16.871 1.00 44.26 C ATOM 362 CE LYS A1835 -118.620 45.670 16.427 1.00 45.63 C ATOM 363 NZ LYS A1835 -118.060 44.562 17.262 1.00 45.49 N ATOM 364 HZ1 LYS A1835 -117.022 44.570 17.196 1.00 0.00 H ATOM 365 HZ2 LYS A1835 -118.346 44.697 18.253 1.00 0.00 H ATOM 366 HZ3 LYS A1835 -118.424 43.651 16.916 1.00 0.00 H ATOM 367 H LYS A1835 -116.939 46.950 20.754 1.00 0.00 H ATOM 368 N ASN A1836 -115.767 49.891 20.873 1.00 38.93 N ATOM 369 CA ASN A1836 -115.184 51.113 21.426 1.00 38.87 C ATOM 370 C ASN A1836 -114.245 50.785 22.575 1.00 37.94 C ATOM 371 O ASN A1836 -114.647 50.846 23.735 1.00 37.52 O ATOM 372 CB ASN A1836 -116.289 52.054 21.907 1.00 39.36 C ATOM 373 CG ASN A1836 -117.334 52.304 20.844 1.00 39.95 C ATOM 374 OD1 ASN A1836 -118.517 52.033 21.049 1.00 40.58 O ATOM 375 ND2 ASN A1836 -116.901 52.799 19.689 1.00 40.17 N ATOM 376 HD22 ASN A1836 -115.891 53.013 19.561 1.00 0.00 H ATOM 377 HD21 ASN A1836 -117.572 52.972 18.913 1.00 0.00 H ATOM 378 H ASN A1836 -116.290 49.253 21.507 1.00 0.00 H ATOM 379 N PRO A1837 -112.991 50.413 22.256 1.00 37.72 N ATOM 380 CA PRO A1837 -112.020 50.134 23.320 1.00 37.57 C ATOM 381 C PRO A1837 -111.670 51.371 24.151 1.00 37.38 C ATOM 382 O PRO A1837 -111.737 52.500 23.654 1.00 36.71 O ATOM 383 CB PRO A1837 -110.787 49.605 22.566 1.00 37.21 C ATOM 384 CG PRO A1837 -110.992 49.966 21.137 1.00 37.16 C ATOM 385 CD PRO A1837 -112.471 50.060 20.922 1.00 37.46 C ATOM 386 N MET A1838 -111.317 51.140 25.413 1.00 37.43 N ATOM 387 CA MET A1838 -111.001 52.215 26.347 1.00 37.74 C ATOM 388 C MET A1838 -110.093 51.687 27.454 1.00 37.52 C ATOM 389 O MET A1838 -110.193 50.522 27.842 1.00 37.07 O ATOM 390 CB MET A1838 -112.292 52.786 26.944 1.00 37.84 C ATOM 391 CG MET A1838 -112.110 54.010 27.830 1.00 38.13 C ATOM 392 SD MET A1838 -111.127 55.325 27.079 1.00 39.18 S ATOM 393 CE MET A1838 -111.999 55.600 25.538 1.00 39.28 C ATOM 394 H MET A1838 -111.264 50.156 25.746 1.00 0.00 H ATOM 395 N ASP A1839 -109.209 52.550 27.954 1.00 37.12 N ATOM 396 CA ASP A1839 -108.260 52.176 29.007 1.00 36.91 C ATOM 397 C ASP A1839 -107.764 53.407 29.766 1.00 36.76 C ATOM 398 O ASP A1839 -108.039 54.541 29.370 1.00 37.02 O ATOM 399 CB ASP A1839 -107.080 51.417 28.407 1.00 36.81 C ATOM 400 CG ASP A1839 -106.317 52.241 27.401 1.00 37.07 C ATOM 401 OD1 ASP A1839 -106.887 52.553 26.329 1.00 36.91 O ATOM 402 OD2 ASP A1839 -105.150 52.575 27.689 1.00 37.12 O ATOM 403 H ASP A1839 -109.192 53.522 27.585 1.00 0.00 H ATOM 404 N PHE A1840 -107.027 53.182 30.852 1.00 36.41 N ATOM 405 CA PHE A1840 -106.656 54.272 31.756 1.00 36.42 C ATOM 406 C PHE A1840 -105.651 55.268 31.167 1.00 36.52 C ATOM 407 O PHE A1840 -105.683 56.444 31.532 1.00 36.65 O ATOM 408 CB PHE A1840 -106.134 53.731 33.098 1.00 36.55 C ATOM 409 CG PHE A1840 -107.128 52.883 33.861 1.00 36.17 C ATOM 410 CD1 PHE A1840 -108.496 53.135 33.806 1.00 36.19 C ATOM 411 CD2 PHE A1840 -106.681 51.843 34.669 1.00 36.28 C ATOM 412 CE1 PHE A1840 -109.390 52.352 34.519 1.00 36.40 C ATOM 413 CE2 PHE A1840 -107.570 51.062 35.388 1.00 35.99 C ATOM 414 CZ PHE A1840 -108.927 51.315 35.311 1.00 36.24 C ATOM 415 H PHE A1840 -106.709 52.214 31.062 1.00 0.00 H ATOM 416 N SER A1841 -104.766 54.823 30.271 1.00 36.53 N ATOM 417 CA SER A1841 -103.830 55.753 29.617 1.00 36.42 C ATOM 418 C SER A1841 -104.558 56.662 28.632 1.00 36.34 C ATOM 419 O SER A1841 -104.236 57.845 28.522 1.00 37.05 O ATOM 420 CB SER A1841 -102.688 55.024 28.905 1.00 36.31 C ATOM 421 OG SER A1841 -103.155 54.282 27.796 1.00 36.48 O ATOM 422 HG SER A1841 -103.812 53.609 28.104 1.00 0.00 H ATOM 423 H SER A1841 -104.738 53.811 30.033 1.00 0.00 H ATOM 424 N THR A1842 -105.536 56.106 27.919 1.00 35.61 N ATOM 425 CA THR A1842 -106.366 56.892 27.011 1.00 35.46 C ATOM 426 C THR A1842 -107.180 57.932 27.786 1.00 36.72 C ATOM 427 O THR A1842 -107.312 59.076 27.345 1.00 36.97 O ATOM 428 CB THR A1842 -107.312 55.987 26.199 1.00 34.68 C ATOM 429 OG1 THR A1842 -106.545 54.997 25.508 1.00 34.04 O ATOM 430 CG2 THR A1842 -108.110 56.796 25.184 1.00 34.37 C ATOM 431 HG1 THR A1842 -106.046 54.450 26.165 1.00 0.00 H ATOM 432 H THR A1842 -105.713 55.085 28.012 1.00 0.00 H ATOM 433 N MET A1843 -107.717 57.528 28.936 1.00 37.98 N ATOM 434 CA MET A1843 -108.448 58.445 29.816 1.00 39.32 C ATOM 435 C MET A1843 -107.505 59.477 30.432 1.00 40.75 C ATOM 436 O MET A1843 -107.882 60.634 30.617 1.00 41.42 O ATOM 437 CB MET A1843 -109.161 57.675 30.932 1.00 39.44 C ATOM 438 CG MET A1843 -110.274 56.752 30.452 1.00 39.15 C ATOM 439 SD MET A1843 -110.815 55.591 31.724 1.00 38.98 S ATOM 440 CE MET A1843 -111.478 56.715 32.951 1.00 38.32 C ATOM 441 H MET A1843 -107.615 56.532 29.218 1.00 0.00 H ATOM 442 N ARG A1844 -106.287 59.045 30.755 1.00 42.12 N ATOM 443 CA ARG A1844 -105.239 59.942 31.251 1.00 43.35 C ATOM 444 C ARG A1844 -104.909 60.999 30.200 1.00 45.03 C ATOM 445 O ARG A1844 -104.950 62.196 30.486 1.00 44.55 O ATOM 446 CB ARG A1844 -103.981 59.140 31.637 1.00 43.04 C ATOM 447 CG ARG A1844 -102.729 59.956 31.945 1.00 42.32 C ATOM 448 CD ARG A1844 -102.962 60.981 33.042 1.00 42.25 C ATOM 449 NE ARG A1844 -103.333 60.363 34.315 1.00 42.18 N ATOM 450 CZ ARG A1844 -103.882 61.011 35.342 1.00 41.88 C ATOM 451 NH1 ARG A1844 -104.141 62.313 35.262 1.00 41.98 N ATOM 452 NH2 ARG A1844 -104.182 60.353 36.459 1.00 41.21 N ATOM 453 HE ARG A1844 -103.155 59.344 34.427 1.00 0.00 H ATOM 454 HH12 ARG A1844 -104.570 62.809 36.070 1.00 0.00 H ATOM 455 HH11 ARG A1844 -103.915 62.836 34.392 1.00 0.00 H ATOM 456 HH22 ARG A1844 -104.610 60.858 37.261 1.00 0.00 H ATOM 457 HH21 ARG A1844 -103.988 59.334 36.530 1.00 0.00 H ATOM 458 H ARG A1844 -106.071 58.033 30.651 1.00 0.00 H ATOM 459 N GLU A1845 -104.595 60.542 28.988 1.00 47.93 N ATOM 460 CA GLU A1845 -104.270 61.431 27.866 1.00 50.31 C ATOM 461 C GLU A1845 -105.350 62.482 27.637 1.00 52.08 C ATOM 462 O GLU A1845 -105.044 63.662 27.475 1.00 53.98 O ATOM 463 CB GLU A1845 -104.062 60.628 26.577 1.00 51.51 C ATOM 464 CG GLU A1845 -102.720 59.914 26.492 1.00 52.73 C ATOM 465 CD GLU A1845 -102.611 59.000 25.281 1.00 54.28 C ATOM 466 OE1 GLU A1845 -103.376 59.186 24.307 1.00 54.55 O ATOM 467 OE2 GLU A1845 -101.752 58.091 25.303 1.00 55.08 O ATOM 468 H GLU A1845 -104.580 59.514 28.831 1.00 0.00 H ATOM 469 N ARG A1846 -106.607 62.047 27.623 1.00 53.75 N ATOM 470 CA ARG A1846 -107.733 62.957 27.422 1.00 55.74 C ATOM 471 C ARG A1846 -107.913 63.918 28.602 1.00 56.29 C ATOM 472 O ARG A1846 -108.260 65.082 28.404 1.00 56.61 O ATOM 473 CB ARG A1846 -109.027 62.171 27.174 1.00 57.20 C ATOM 474 CG ARG A1846 -110.256 63.053 27.002 1.00 59.35 C ATOM 475 CD ARG A1846 -111.459 62.290 26.464 1.00 60.91 C ATOM 476 NE ARG A1846 -112.708 63.027 26.676 1.00 61.95 N ATOM 477 CZ ARG A1846 -113.903 62.643 26.227 1.00 62.81 C ATOM 478 NH1 ARG A1846 -114.040 61.519 25.527 1.00 63.17 N ATOM 479 NH2 ARG A1846 -114.972 63.391 26.482 1.00 62.66 N ATOM 480 HE ARG A1846 -112.658 63.914 27.216 1.00 0.00 H ATOM 481 HH12 ARG A1846 -114.978 61.232 25.183 1.00 0.00 H ATOM 482 HH11 ARG A1846 -113.209 60.928 25.324 1.00 0.00 H ATOM 483 HH22 ARG A1846 -115.907 63.097 26.135 1.00 0.00 H ATOM 484 HH21 ARG A1846 -114.873 64.270 27.029 1.00 0.00 H ATOM 485 H ARG A1846 -106.793 61.033 27.759 1.00 0.00 H ATOM 486 N LEU A1847 -107.679 63.431 29.818 1.00 57.66 N ATOM 487 CA LEU A1847 -107.843 64.249 31.025 1.00 58.48 C ATOM 488 C LEU A1847 -106.789 65.355 31.115 1.00 59.20 C ATOM 489 O LEU A1847 -107.113 66.495 31.451 1.00 58.26 O ATOM 490 CB LEU A1847 -107.799 63.368 32.281 1.00 57.76 C ATOM 491 CG LEU A1847 -108.132 64.018 33.629 1.00 56.81 C ATOM 492 CD1 LEU A1847 -109.519 64.643 33.616 1.00 56.65 C ATOM 493 CD2 LEU A1847 -108.022 62.993 34.750 1.00 56.37 C ATOM 494 H LEU A1847 -107.371 62.442 29.916 1.00 0.00 H ATOM 495 N LEU A1848 -105.538 65.017 30.802 1.00 61.12 N ATOM 496 CA LEU A1848 -104.445 66.000 30.772 1.00 63.39 C ATOM 497 C LEU A1848 -104.593 67.020 29.640 1.00 66.35 C ATOM 498 O LEU A1848 -104.055 68.124 29.725 1.00 68.47 O ATOM 499 CB LEU A1848 -103.090 65.301 30.637 1.00 62.22 C ATOM 500 CG LEU A1848 -102.641 64.432 31.812 1.00 61.64 C ATOM 501 CD1 LEU A1848 -101.361 63.697 31.441 1.00 61.67 C ATOM 502 CD2 LEU A1848 -102.448 65.266 33.073 1.00 61.10 C ATOM 503 H LEU A1848 -105.328 64.025 30.571 1.00 0.00 H ATOM 504 N ARG A1849 -105.304 66.639 28.581 1.00 68.60 N ATOM 505 CA ARG A1849 -105.599 67.539 27.468 1.00 69.97 C ATOM 506 C ARG A1849 -106.832 68.409 27.747 1.00 69.23 C ATOM 507 O ARG A1849 -107.100 69.358 27.012 1.00 68.97 O ATOM 508 CB ARG A1849 -105.814 66.722 26.193 1.00 72.82 C ATOM 509 CG ARG A1849 -105.555 67.479 24.900 1.00 75.97 C ATOM 510 CD ARG A1849 -105.459 66.524 23.718 1.00 79.15 C ATOM 511 NE ARG A1849 -104.406 65.523 23.906 1.00 82.88 N ATOM 512 CZ ARG A1849 -104.132 64.536 23.052 1.00 85.67 C ATOM 513 NH1 ARG A1849 -104.823 64.401 21.923 1.00 86.78 N ATOM 514 NH2 ARG A1849 -103.152 63.680 23.329 1.00 85.83 N ATOM 515 HE ARG A1849 -103.830 65.587 24.769 1.00 0.00 H ATOM 516 HH12 ARG A1849 -104.599 63.627 21.266 1.00 0.00 H ATOM 517 HH11 ARG A1849 -105.587 65.070 21.698 1.00 0.00 H ATOM 518 HH22 ARG A1849 -102.933 62.908 22.667 1.00 0.00 H ATOM 519 HH21 ARG A1849 -102.605 63.783 24.207 1.00 0.00 H ATOM 520 H ARG A1849 -105.663 65.664 28.544 1.00 0.00 H ATOM 521 N GLY A1850 -107.580 68.074 28.799 1.00 69.81 N ATOM 522 CA GLY A1850 -108.777 68.820 29.193 1.00 70.70 C ATOM 523 C GLY A1850 -110.038 68.399 28.454 1.00 71.34 C ATOM 524 O GLY A1850 -111.043 69.113 28.482 1.00 70.79 O ATOM 525 H GLY A1850 -107.301 67.247 29.364 1.00 0.00 H ATOM 526 N GLY A1851 -109.995 67.229 27.816 1.00 71.12 N ATOM 527 CA GLY A1851 -111.075 66.768 26.944 1.00 70.05 C ATOM 528 C GLY A1851 -112.399 66.451 27.623 1.00 69.49 C ATOM 529 O GLY A1851 -113.437 66.427 26.963 1.00 69.79 O ATOM 530 H GLY A1851 -109.161 66.621 27.943 1.00 0.00 H ATOM 531 N TYR A1852 -112.373 66.197 28.930 1.00 68.35 N ATOM 532 CA TYR A1852 -113.594 65.871 29.671 1.00 68.74 C ATOM 533 C TYR A1852 -114.345 67.132 30.104 1.00 70.12 C ATOM 534 O TYR A1852 -113.831 67.933 30.887 1.00 71.02 O ATOM 535 CB TYR A1852 -113.274 64.999 30.891 1.00 67.62 C ATOM 536 CG TYR A1852 -112.859 63.587 30.532 1.00 66.05 C ATOM 537 CD1 TYR A1852 -113.766 62.703 29.952 1.00 65.44 C ATOM 538 CD2 TYR A1852 -111.565 63.133 30.771 1.00 64.90 C ATOM 539 CE1 TYR A1852 -113.395 61.413 29.614 1.00 64.24 C ATOM 540 CE2 TYR A1852 -111.187 61.842 30.441 1.00 63.85 C ATOM 541 CZ TYR A1852 -112.106 60.987 29.864 1.00 63.11 C ATOM 542 OH TYR A1852 -111.742 59.704 29.535 1.00 61.54 O ATOM 543 HH TYR A1852 -112.517 59.235 29.135 1.00 0.00 H ATOM 544 H TYR A1852 -111.465 66.231 29.436 1.00 0.00 H ATOM 545 N THR A1853 -115.564 67.293 29.593 1.00 70.37 N ATOM 546 CA THR A1853 -116.396 68.458 29.896 1.00 70.98 C ATOM 547 C THR A1853 -116.941 68.408 31.321 1.00 70.87 C ATOM 548 O THR A1853 -117.033 69.440 31.990 1.00 71.53 O ATOM 549 CB THR A1853 -117.581 68.571 28.912 1.00 71.63 C ATOM 550 OG1 THR A1853 -117.086 68.676 27.571 1.00 71.90 O ATOM 551 CG2 THR A1853 -118.446 69.792 29.227 1.00 71.69 C ATOM 552 HG1 THR A1853 -117.848 68.748 26.944 1.00 0.00 H ATOM 553 H THR A1853 -115.939 66.563 28.954 1.00 0.00 H ATOM 554 N SER A1854 -117.309 67.212 31.776 1.00 71.11 N ATOM 555 CA SER A1854 -117.870 67.033 33.114 1.00 71.25 C ATOM 556 C SER A1854 -117.502 65.670 33.700 1.00 70.45 C ATOM 557 O SER A1854 -116.862 64.845 33.041 1.00 69.12 O ATOM 558 CB SER A1854 -119.394 67.191 33.068 1.00 71.61 C ATOM 559 OG SER A1854 -119.998 66.138 32.335 1.00 71.07 O ATOM 560 HG SER A1854 -120.980 66.267 32.323 1.00 0.00 H ATOM 561 H SER A1854 -117.194 66.381 31.162 1.00 0.00 H ATOM 562 N SER A1855 -117.912 65.450 34.947 1.00 69.88 N ATOM 563 CA SER A1855 -117.703 64.175 35.631 1.00 69.75 C ATOM 564 C SER A1855 -118.454 63.019 34.954 1.00 69.16 C ATOM 565 O SER A1855 -118.023 61.866 35.033 1.00 68.82 O ATOM 566 CB SER A1855 -118.130 64.290 37.101 1.00 69.90 C ATOM 567 OG SER A1855 -119.536 64.426 37.226 1.00 70.21 O ATOM 568 HG SER A1855 -119.831 65.242 36.749 1.00 0.00 H ATOM 569 H SER A1855 -118.400 66.215 35.455 1.00 0.00 H ATOM 570 N GLU A1856 -119.568 63.332 34.292 1.00 68.25 N ATOM 571 CA GLU A1856 -120.383 62.320 33.615 1.00 67.80 C ATOM 572 C GLU A1856 -119.651 61.691 32.427 1.00 64.55 C ATOM 573 O GLU A1856 -119.683 60.472 32.252 1.00 64.48 O ATOM 574 CB GLU A1856 -121.725 62.910 33.150 1.00 70.09 C ATOM 575 CG GLU A1856 -122.727 63.186 34.271 1.00 72.22 C ATOM 576 CD GLU A1856 -122.609 64.580 34.875 1.00 73.82 C ATOM 577 OE1 GLU A1856 -121.493 65.145 34.894 1.00 75.92 O ATOM 578 OE2 GLU A1856 -123.641 65.113 35.338 1.00 73.05 O ATOM 579 H GLU A1856 -119.868 64.327 34.255 1.00 0.00 H ATOM 580 N GLU A1857 -118.996 62.521 31.617 1.00 61.03 N ATOM 581 CA GLU A1857 -118.229 62.029 30.468 1.00 59.04 C ATOM 582 C GLU A1857 -117.059 61.156 30.910 1.00 54.43 C ATOM 583 O GLU A1857 -116.725 60.169 30.251 1.00 51.84 O ATOM 584 CB GLU A1857 -117.695 63.190 29.624 1.00 60.93 C ATOM 585 CG GLU A1857 -118.767 63.989 28.902 1.00 63.04 C ATOM 586 CD GLU A1857 -118.191 64.979 27.901 1.00 65.66 C ATOM 587 OE1 GLU A1857 -118.970 65.792 27.356 1.00 67.65 O ATOM 588 OE2 GLU A1857 -116.964 64.948 27.652 1.00 65.89 O ATOM 589 H GLU A1857 -119.029 63.543 31.804 1.00 0.00 H ATOM 590 N PHE A1858 -116.435 61.538 32.022 1.00 50.68 N ATOM 591 CA PHE A1858 -115.318 60.785 32.578 1.00 47.47 C ATOM 592 C PHE A1858 -115.774 59.399 33.009 1.00 44.92 C ATOM 593 O PHE A1858 -115.204 58.392 32.584 1.00 44.37 O ATOM 594 CB PHE A1858 -114.704 61.529 33.766 1.00 47.03 C ATOM 595 CG PHE A1858 -113.617 60.764 34.461 1.00 46.50 C ATOM 596 CD1 PHE A1858 -113.878 60.077 35.640 1.00 46.37 C ATOM 597 CD2 PHE A1858 -112.335 60.721 33.932 1.00 46.03 C ATOM 598 CE1 PHE A1858 -112.879 59.366 36.282 1.00 46.13 C ATOM 599 CE2 PHE A1858 -111.332 60.011 34.571 1.00 46.23 C ATOM 600 CZ PHE A1858 -111.604 59.332 35.749 1.00 45.84 C ATOM 601 H PHE A1858 -116.754 62.400 32.509 1.00 0.00 H ATOM 602 N ALA A1859 -116.807 59.361 33.845 1.00 42.35 N ATOM 603 CA ALA A1859 -117.359 58.102 34.340 1.00 40.99 C ATOM 604 C ALA A1859 -117.868 57.209 33.209 1.00 39.54 C ATOM 605 O ALA A1859 -117.827 55.990 33.325 1.00 38.94 O ATOM 606 CB ALA A1859 -118.466 58.367 35.346 1.00 41.03 C ATOM 607 H ALA A1859 -117.236 60.256 34.157 1.00 0.00 H ATOM 608 N ALA A1860 -118.341 57.816 32.124 1.00 38.63 N ATOM 609 CA ALA A1860 -118.777 57.065 30.946 1.00 38.45 C ATOM 610 C ALA A1860 -117.643 56.212 30.381 1.00 37.93 C ATOM 611 O ALA A1860 -117.828 55.019 30.133 1.00 38.77 O ATOM 612 CB ALA A1860 -119.308 58.010 29.875 1.00 38.92 C ATOM 613 H ALA A1860 -118.403 58.854 32.112 1.00 0.00 H ATOM 614 N ASP A1861 -116.478 56.828 30.180 1.00 37.05 N ATOM 615 CA ASP A1861 -115.287 56.116 29.702 1.00 36.27 C ATOM 616 C ASP A1861 -114.759 55.124 30.734 1.00 35.01 C ATOM 617 O ASP A1861 -114.248 54.068 30.371 1.00 34.26 O ATOM 618 CB ASP A1861 -114.172 57.099 29.321 1.00 37.08 C ATOM 619 CG ASP A1861 -114.428 57.789 27.992 1.00 37.99 C ATOM 620 OD1 ASP A1861 -115.612 57.944 27.620 1.00 39.13 O ATOM 621 OD2 ASP A1861 -113.447 58.173 27.319 1.00 37.95 O ATOM 622 H ASP A1861 -116.411 57.849 30.368 1.00 0.00 H ATOM 623 N ALA A1862 -114.872 55.471 32.013 1.00 34.33 N ATOM 624 CA ALA A1862 -114.473 54.571 33.095 1.00 33.77 C ATOM 625 C ALA A1862 -115.308 53.295 33.070 1.00 33.68 C ATOM 626 O ALA A1862 -114.774 52.194 33.213 1.00 34.01 O ATOM 627 CB ALA A1862 -114.606 55.263 34.443 1.00 33.42 C ATOM 628 H ALA A1862 -115.255 56.408 32.250 1.00 0.00 H ATOM 629 N LEU A1863 -116.617 53.453 32.880 1.00 33.09 N ATOM 630 CA LEU A1863 -117.535 52.317 32.822 1.00 32.63 C ATOM 631 C LEU A1863 -117.355 51.523 31.536 1.00 31.83 C ATOM 632 O LEU A1863 -117.520 50.304 31.530 1.00 32.54 O ATOM 633 CB LEU A1863 -118.986 52.787 32.952 1.00 33.09 C ATOM 634 CG LEU A1863 -119.345 53.456 34.289 1.00 34.15 C ATOM 635 CD1 LEU A1863 -120.756 54.031 34.238 1.00 34.40 C ATOM 636 CD2 LEU A1863 -119.184 52.501 35.468 1.00 34.10 C ATOM 637 H LEU A1863 -116.998 54.415 32.770 1.00 0.00 H ATOM 638 N LEU A1864 -117.014 52.213 30.452 1.00 30.64 N ATOM 639 CA LEU A1864 -116.737 51.556 29.171 1.00 29.94 C ATOM 640 C LEU A1864 -115.567 50.570 29.268 1.00 29.30 C ATOM 641 O LEU A1864 -115.554 49.551 28.577 1.00 28.93 O ATOM 642 CB LEU A1864 -116.456 52.602 28.088 1.00 29.84 C ATOM 643 CG LEU A1864 -116.013 52.096 26.715 1.00 29.82 C ATOM 644 CD1 LEU A1864 -117.044 51.143 26.128 1.00 29.96 C ATOM 645 CD2 LEU A1864 -115.770 53.283 25.795 1.00 29.72 C ATOM 646 H LEU A1864 -116.942 53.249 30.515 1.00 0.00 H ATOM 647 N VAL A1865 -114.591 50.880 30.121 1.00 28.65 N ATOM 648 CA VAL A1865 -113.461 49.982 30.353 1.00 28.08 C ATOM 649 C VAL A1865 -113.978 48.649 30.880 1.00 27.41 C ATOM 650 O VAL A1865 -113.668 47.591 30.331 1.00 26.90 O ATOM 651 CB VAL A1865 -112.446 50.564 31.368 1.00 28.04 C ATOM 652 CG1 VAL A1865 -111.373 49.536 31.712 1.00 28.15 C ATOM 653 CG2 VAL A1865 -111.797 51.829 30.823 1.00 28.16 C ATOM 654 H VAL A1865 -114.634 51.783 30.634 1.00 0.00 H ATOM 655 N PHE A1866 -114.788 48.720 31.935 1.00 26.74 N ATOM 656 CA PHE A1866 -115.257 47.526 32.645 1.00 25.83 C ATOM 657 C PHE A1866 -116.373 46.804 31.883 1.00 25.86 C ATOM 658 O PHE A1866 -116.523 45.587 32.006 1.00 25.41 O ATOM 659 CB PHE A1866 -115.702 47.891 34.063 1.00 25.44 C ATOM 660 CG PHE A1866 -114.719 48.772 34.798 1.00 25.47 C ATOM 661 CD1 PHE A1866 -113.381 48.406 34.905 1.00 25.12 C ATOM 662 CD2 PHE A1866 -115.129 49.972 35.378 1.00 25.33 C ATOM 663 CE1 PHE A1866 -112.476 49.219 35.571 1.00 24.94 C ATOM 664 CE2 PHE A1866 -114.226 50.785 36.047 1.00 25.02 C ATOM 665 CZ PHE A1866 -112.899 50.407 36.144 1.00 24.86 C ATOM 666 H PHE A1866 -115.099 49.655 32.267 1.00 0.00 H ATOM 667 N ASP A1867 -117.147 47.547 31.093 1.00 26.15 N ATOM 668 CA ASP A1867 -118.111 46.933 30.178 1.00 26.49 C ATOM 669 C ASP A1867 -117.384 46.085 29.140 1.00 26.30 C ATOM 670 O ASP A1867 -117.716 44.915 28.957 1.00 26.53 O ATOM 671 CB ASP A1867 -118.970 47.992 29.476 1.00 26.97 C ATOM 672 CG ASP A1867 -119.992 48.636 30.401 1.00 27.29 C ATOM 673 OD1 ASP A1867 -120.269 48.086 31.489 1.00 27.50 O ATOM 674 OD2 ASP A1867 -120.525 49.704 30.031 1.00 27.91 O ATOM 675 H ASP A1867 -117.065 48.583 31.127 1.00 0.00 H ATOM 676 N ASN A1868 -116.392 46.679 28.476 1.00 26.21 N ATOM 677 CA ASN A1868 -115.543 45.959 27.517 1.00 26.37 C ATOM 678 C ASN A1868 -114.865 44.747 28.143 1.00 26.41 C ATOM 679 O ASN A1868 -114.809 43.672 27.535 1.00 26.01 O ATOM 680 CB ASN A1868 -114.459 46.880 26.942 1.00 26.67 C ATOM 681 CG ASN A1868 -115.014 47.948 26.012 1.00 27.10 C ATOM 682 OD1 ASN A1868 -116.082 47.789 25.417 1.00 27.66 O ATOM 683 ND2 ASN A1868 -114.278 49.045 25.876 1.00 27.16 N ATOM 684 HD22 ASN A1868 -113.383 49.138 26.397 1.00 0.00 H ATOM 685 HD21 ASN A1868 -114.597 49.811 25.249 1.00 0.00 H ATOM 686 H ASN A1868 -116.212 47.690 28.643 1.00 0.00 H ATOM 687 N CYS A1869 -114.338 44.937 29.352 1.00 26.81 N ATOM 688 CA CYS A1869 -113.681 43.865 30.103 1.00 27.27 C ATOM 689 C CYS A1869 -114.602 42.670 30.288 1.00 27.52 C ATOM 690 O CYS A1869 -114.229 41.539 29.983 1.00 27.76 O ATOM 691 CB CYS A1869 -113.238 44.367 31.477 1.00 27.45 C ATOM 692 SG CYS A1869 -112.508 43.083 32.520 1.00 27.80 S ATOM 693 H CYS A1869 -114.395 45.884 29.779 1.00 0.00 H ATOM 694 N GLN A1870 -115.805 42.937 30.788 1.00 27.94 N ATOM 695 CA GLN A1870 -116.813 41.900 31.006 1.00 28.27 C ATOM 696 C GLN A1870 -117.328 41.297 29.704 1.00 28.06 C ATOM 697 O GLN A1870 -117.651 40.108 29.653 1.00 28.21 O ATOM 698 CB GLN A1870 -117.988 42.464 31.802 1.00 28.74 C ATOM 699 CG GLN A1870 -117.650 42.757 33.250 1.00 29.13 C ATOM 700 CD GLN A1870 -118.788 43.440 33.971 1.00 29.92 C ATOM 701 OE1 GLN A1870 -119.503 42.813 34.757 1.00 30.63 O ATOM 702 NE2 GLN A1870 -118.977 44.727 33.695 1.00 30.13 N ATOM 703 HE22 GLN A1870 -118.347 45.213 33.025 1.00 0.00 H ATOM 704 HE21 GLN A1870 -119.754 45.248 34.149 1.00 0.00 H ATOM 705 H GLN A1870 -116.038 43.920 31.033 1.00 0.00 H ATOM 706 N THR A1871 -117.418 42.123 28.664 1.00 27.90 N ATOM 707 CA THR A1871 -117.822 41.659 27.341 1.00 27.70 C ATOM 708 C THR A1871 -116.814 40.655 26.784 1.00 28.14 C ATOM 709 O THR A1871 -117.196 39.581 26.325 1.00 27.93 O ATOM 710 CB THR A1871 -117.965 42.834 26.351 1.00 27.29 C ATOM 711 OG1 THR A1871 -118.919 43.778 26.852 1.00 26.84 O ATOM 712 CG2 THR A1871 -118.421 42.344 24.984 1.00 27.37 C ATOM 713 HG1 THR A1871 -118.612 44.123 27.728 1.00 0.00 H ATOM 714 H THR A1871 -117.194 43.130 28.799 1.00 0.00 H ATOM 715 N PHE A1872 -115.531 41.000 26.844 1.00 28.90 N ATOM 716 CA PHE A1872 -114.489 40.176 26.231 1.00 29.74 C ATOM 717 C PHE A1872 -113.995 39.044 27.129 1.00 30.62 C ATOM 718 O PHE A1872 -113.688 37.958 26.637 1.00 30.77 O ATOM 719 CB PHE A1872 -113.296 41.036 25.799 1.00 29.85 C ATOM 720 CG PHE A1872 -112.229 40.258 25.075 1.00 29.86 C ATOM 721 CD1 PHE A1872 -112.400 39.895 23.744 1.00 29.68 C ATOM 722 CD2 PHE A1872 -111.065 39.868 25.727 1.00 29.79 C ATOM 723 CE1 PHE A1872 -111.430 39.169 23.076 1.00 29.51 C ATOM 724 CE2 PHE A1872 -110.090 39.143 25.063 1.00 29.60 C ATOM 725 CZ PHE A1872 -110.274 38.793 23.736 1.00 29.60 C ATOM 726 H PHE A1872 -115.262 41.875 27.338 1.00 0.00 H ATOM 727 N ASN A1873 -113.893 39.302 28.430 1.00 31.75 N ATOM 728 CA ASN A1873 -113.338 38.320 29.365 1.00 32.46 C ATOM 729 C ASN A1873 -114.408 37.622 30.194 1.00 33.85 C ATOM 730 O ASN A1873 -115.448 38.207 30.510 1.00 34.58 O ATOM 731 CB ASN A1873 -112.332 38.988 30.297 1.00 32.05 C ATOM 732 CG ASN A1873 -111.174 39.609 29.548 1.00 31.96 C ATOM 733 OD1 ASN A1873 -110.225 38.920 29.175 1.00 31.92 O ATOM 734 ND2 ASN A1873 -111.243 40.917 29.322 1.00 31.95 N ATOM 735 HD22 ASN A1873 -112.065 41.460 29.656 1.00 0.00 H ATOM 736 HD21 ASN A1873 -110.475 41.398 28.811 1.00 0.00 H ATOM 737 H ASN A1873 -114.215 40.222 28.792 1.00 0.00 H ATOM 738 N GLU A1874 -114.136 36.368 30.547 1.00 34.86 N ATOM 739 CA GLU A1874 -115.004 35.610 31.445 1.00 35.49 C ATOM 740 C GLU A1874 -114.815 36.110 32.871 1.00 34.26 C ATOM 741 O GLU A1874 -113.744 36.609 33.223 1.00 35.00 O ATOM 742 CB GLU A1874 -114.683 34.119 31.373 1.00 37.13 C ATOM 743 CG GLU A1874 -114.832 33.520 29.982 1.00 38.52 C ATOM 744 CD GLU A1874 -114.657 32.015 29.972 1.00 40.17 C ATOM 745 OE1 GLU A1874 -115.117 31.352 30.927 1.00 41.86 O ATOM 746 OE2 GLU A1874 -114.064 31.493 29.003 1.00 41.44 O ATOM 747 H GLU A1874 -113.279 35.914 30.172 1.00 0.00 H ATOM 748 N ASP A1875 -115.848 35.964 33.691 1.00 32.79 N ATOM 749 CA ASP A1875 -115.811 36.457 35.070 1.00 32.44 C ATOM 750 C ASP A1875 -114.724 35.780 35.912 1.00 32.91 C ATOM 751 O ASP A1875 -114.172 36.400 36.826 1.00 32.36 O ATOM 752 CB ASP A1875 -117.174 36.269 35.746 1.00 32.06 C ATOM 753 CG ASP A1875 -118.279 37.080 35.085 1.00 31.71 C ATOM 754 OD1 ASP A1875 -118.025 38.237 34.679 1.00 30.94 O ATOM 755 OD2 ASP A1875 -119.410 36.559 34.981 1.00 31.33 O ATOM 756 H ASP A1875 -116.706 35.488 33.346 1.00 0.00 H ATOM 757 N ASP A1876 -114.423 34.519 35.595 1.00 33.58 N ATOM 758 CA ASP A1876 -113.416 33.741 36.327 1.00 34.47 C ATOM 759 C ASP A1876 -112.012 33.774 35.698 1.00 34.44 C ATOM 760 O ASP A1876 -111.072 33.200 36.255 1.00 34.27 O ATOM 761 CB ASP A1876 -113.886 32.289 36.513 1.00 35.35 C ATOM 762 CG ASP A1876 -113.965 31.507 35.204 1.00 35.95 C ATOM 763 OD1 ASP A1876 -114.139 32.122 34.129 1.00 36.31 O ATOM 764 OD2 ASP A1876 -113.866 30.263 35.263 1.00 36.51 O ATOM 765 H ASP A1876 -114.921 34.071 34.799 1.00 0.00 H ATOM 766 N SER A1877 -111.869 34.446 34.556 1.00 34.15 N ATOM 767 CA SER A1877 -110.553 34.663 33.945 1.00 34.04 C ATOM 768 C SER A1877 -109.715 35.614 34.802 1.00 34.07 C ATOM 769 O SER A1877 -110.241 36.289 35.688 1.00 34.34 O ATOM 770 CB SER A1877 -110.704 35.243 32.539 1.00 33.93 C ATOM 771 OG SER A1877 -111.150 36.589 32.593 1.00 33.95 O ATOM 772 HG SER A1877 -112.028 36.627 33.050 1.00 0.00 H ATOM 773 H SER A1877 -112.714 34.827 34.085 1.00 0.00 H ATOM 774 N GLU A1878 -108.415 35.675 34.524 1.00 33.99 N ATOM 775 CA GLU A1878 -107.498 36.525 35.292 1.00 34.13 C ATOM 776 C GLU A1878 -107.757 38.018 35.076 1.00 33.19 C ATOM 777 O GLU A1878 -107.721 38.802 36.026 1.00 33.19 O ATOM 778 CB GLU A1878 -106.038 36.189 34.955 1.00 35.05 C ATOM 779 CG GLU A1878 -105.575 34.841 35.487 1.00 35.86 C ATOM 780 CD GLU A1878 -105.476 34.812 37.008 1.00 37.16 C ATOM 781 OE1 GLU A1878 -104.684 35.606 37.573 1.00 37.01 O ATOM 782 OE2 GLU A1878 -106.192 33.992 37.635 1.00 36.57 O ATOM 783 H GLU A1878 -108.038 35.104 33.740 1.00 0.00 H ATOM 784 N VAL A1879 -108.016 38.401 33.828 1.00 32.19 N ATOM 785 CA VAL A1879 -108.330 39.792 33.493 1.00 31.43 C ATOM 786 C VAL A1879 -109.710 40.170 34.031 1.00 30.79 C ATOM 787 O VAL A1879 -109.893 41.272 34.557 1.00 29.91 O ATOM 788 CB VAL A1879 -108.280 40.041 31.966 1.00 31.40 C ATOM 789 CG1 VAL A1879 -108.738 41.456 31.626 1.00 31.29 C ATOM 790 CG2 VAL A1879 -106.875 39.792 31.426 1.00 31.25 C ATOM 791 H VAL A1879 -107.995 37.691 33.068 1.00 0.00 H ATOM 792 N GLY A1880 -110.671 39.254 33.888 1.00 30.63 N ATOM 793 CA GLY A1880 -112.036 39.450 34.387 1.00 30.07 C ATOM 794 C GLY A1880 -112.084 39.656 35.891 1.00 29.46 C ATOM 795 O GLY A1880 -112.668 40.630 36.371 1.00 29.51 O ATOM 796 H GLY A1880 -110.442 38.364 33.402 1.00 0.00 H ATOM 797 N LYS A1881 -111.457 38.745 36.631 1.00 28.58 N ATOM 798 CA LYS A1881 -111.342 38.868 38.089 1.00 28.55 C ATOM 799 C LYS A1881 -110.772 40.219 38.511 1.00 28.37 C ATOM 800 O LYS A1881 -111.246 40.826 39.473 1.00 28.79 O ATOM 801 CB LYS A1881 -110.456 37.760 38.660 1.00 28.58 C ATOM 802 CG LYS A1881 -111.147 36.415 38.817 1.00 28.67 C ATOM 803 CD LYS A1881 -110.265 35.429 39.567 1.00 28.88 C ATOM 804 CE LYS A1881 -109.088 34.967 38.725 1.00 29.02 C ATOM 805 NZ LYS A1881 -108.104 34.212 39.540 1.00 29.19 N ATOM 806 HZ1 LYS A1881 -107.746 34.822 40.302 1.00 0.00 H ATOM 807 HZ2 LYS A1881 -108.565 33.376 39.951 1.00 0.00 H ATOM 808 HZ3 LYS A1881 -107.313 33.911 38.935 1.00 0.00 H ATOM 809 H LYS A1881 -111.035 37.919 36.161 1.00 0.00 H ATOM 810 N ALA A1882 -109.744 40.670 37.796 1.00 28.14 N ATOM 811 CA ALA A1882 -109.133 41.974 38.044 1.00 27.72 C ATOM 812 C ALA A1882 -110.104 43.115 37.732 1.00 27.47 C ATOM 813 O ALA A1882 -110.165 44.102 38.467 1.00 27.34 O ATOM 814 CB ALA A1882 -107.861 42.124 37.219 1.00 27.58 C ATOM 815 H ALA A1882 -109.362 40.074 37.034 1.00 0.00 H ATOM 816 N GLY A1883 -110.856 42.971 36.640 1.00 26.99 N ATOM 817 CA GLY A1883 -111.814 43.990 36.208 1.00 26.89 C ATOM 818 C GLY A1883 -112.943 44.228 37.194 1.00 26.63 C ATOM 819 O GLY A1883 -113.374 45.368 37.390 1.00 26.49 O ATOM 820 H GLY A1883 -110.758 42.103 36.075 1.00 0.00 H ATOM 821 N HIS A1884 -113.422 43.149 37.810 1.00 26.01 N ATOM 822 CA HIS A1884 -114.458 43.237 38.841 1.00 25.40 C ATOM 823 C HIS A1884 -113.969 44.003 40.066 1.00 25.28 C ATOM 824 O HIS A1884 -114.723 44.769 40.671 1.00 25.07 O ATOM 825 CB HIS A1884 -114.915 41.842 39.260 1.00 25.10 C ATOM 826 CG HIS A1884 -115.668 41.108 38.195 1.00 25.09 C ATOM 827 ND1 HIS A1884 -116.678 41.690 37.458 1.00 25.01 N ATOM 828 CD2 HIS A1884 -115.574 39.830 37.759 1.00 25.05 C ATOM 829 CE1 HIS A1884 -117.165 40.806 36.607 1.00 25.24 C ATOM 830 NE2 HIS A1884 -116.513 39.669 36.769 1.00 25.12 N ATOM 831 H HIS A1884 -113.048 42.214 37.551 1.00 0.00 H ATOM 832 N ILE A1885 -112.705 43.792 40.421 1.00 25.09 N ATOM 833 CA ILE A1885 -112.087 44.508 41.530 1.00 24.95 C ATOM 834 C ILE A1885 -111.999 46.000 41.209 1.00 25.10 C ATOM 835 O ILE A1885 -112.245 46.838 42.075 1.00 25.76 O ATOM 836 CB ILE A1885 -110.684 43.949 41.853 1.00 24.97 C ATOM 837 CG1 ILE A1885 -110.787 42.500 42.352 1.00 24.86 C ATOM 838 CG2 ILE A1885 -109.995 44.808 42.906 1.00 25.04 C ATOM 839 CD1 ILE A1885 -109.486 41.726 42.291 1.00 24.64 C ATOM 840 H ILE A1885 -112.141 43.096 39.892 1.00 0.00 H ATOM 841 N MET A1886 -111.657 46.324 39.964 1.00 25.14 N ATOM 842 CA MET A1886 -111.563 47.719 39.532 1.00 25.10 C ATOM 843 C MET A1886 -112.936 48.371 39.370 1.00 24.96 C ATOM 844 O MET A1886 -113.119 49.538 39.726 1.00 25.25 O ATOM 845 CB MET A1886 -110.788 47.825 38.213 1.00 25.16 C ATOM 846 CG MET A1886 -109.317 47.429 38.290 1.00 25.30 C ATOM 847 SD MET A1886 -108.356 48.248 39.584 1.00 25.60 S ATOM 848 CE MET A1886 -108.888 49.954 39.422 1.00 25.58 C ATOM 849 H MET A1886 -111.451 45.567 39.281 1.00 0.00 H ATOM 850 N ARG A1887 -113.890 47.626 38.821 1.00 24.76 N ATOM 851 CA ARG A1887 -115.246 48.133 38.614 1.00 24.91 C ATOM 852 C ARG A1887 -115.908 48.447 39.954 1.00 25.45 C ATOM 853 O ARG A1887 -116.538 49.491 40.113 1.00 25.47 O ATOM 854 CB ARG A1887 -116.078 47.112 37.834 1.00 24.71 C ATOM 855 CG ARG A1887 -117.474 47.576 37.426 1.00 24.37 C ATOM 856 CD ARG A1887 -118.276 46.437 36.803 1.00 24.11 C ATOM 857 NE ARG A1887 -118.136 45.193 37.562 1.00 24.06 N ATOM 858 CZ ARG A1887 -118.726 44.939 38.733 1.00 24.25 C ATOM 859 NH1 ARG A1887 -119.526 45.833 39.308 1.00 24.42 N ATOM 860 NH2 ARG A1887 -118.518 43.776 39.345 1.00 24.46 N ATOM 861 HE ARG A1887 -117.531 44.450 37.158 1.00 0.00 H ATOM 862 HH12 ARG A1887 -119.976 45.617 40.220 1.00 0.00 H ATOM 863 HH11 ARG A1887 -119.701 46.748 38.845 1.00 0.00 H ATOM 864 HH22 ARG A1887 -118.978 43.579 40.257 1.00 0.00 H ATOM 865 HH21 ARG A1887 -117.896 43.064 38.912 1.00 0.00 H ATOM 866 H ARG A1887 -113.665 46.653 38.530 1.00 0.00 H ATOM 867 N ARG A1888 -115.752 47.541 40.916 1.00 26.33 N ATOM 868 CA ARG A1888 -116.273 47.754 42.270 1.00 26.89 C ATOM 869 C ARG A1888 -115.560 48.900 42.979 1.00 28.11 C ATOM 870 O ARG A1888 -116.201 49.703 43.662 1.00 28.46 O ATOM 871 CB ARG A1888 -116.159 46.480 43.109 1.00 26.16 C ATOM 872 CG ARG A1888 -117.196 45.425 42.765 1.00 25.57 C ATOM 873 CD ARG A1888 -117.234 44.338 43.823 1.00 25.22 C ATOM 874 NE ARG A1888 -116.027 43.513 43.818 1.00 24.73 N ATOM 875 CZ ARG A1888 -115.882 42.369 43.148 1.00 24.84 C ATOM 876 NH1 ARG A1888 -116.865 41.878 42.394 1.00 24.90 N ATOM 877 NH2 ARG A1888 -114.735 41.708 43.231 1.00 24.84 N ATOM 878 HE ARG A1888 -115.218 43.844 44.381 1.00 0.00 H ATOM 879 HH12 ARG A1888 -116.729 40.984 41.880 1.00 0.00 H ATOM 880 HH11 ARG A1888 -117.768 42.389 42.319 1.00 0.00 H ATOM 881 HH22 ARG A1888 -114.611 40.815 42.713 1.00 0.00 H ATOM 882 HH21 ARG A1888 -113.960 42.083 43.814 1.00 0.00 H ATOM 883 H ARG A1888 -115.247 46.658 40.702 1.00 0.00 H ATOM 884 N PHE A1889 -114.238 48.967 42.820 1.00 29.50 N ATOM 885 CA PHE A1889 -113.449 50.066 43.379 1.00 30.52 C ATOM 886 C PHE A1889 -113.907 51.418 42.839 1.00 31.45 C ATOM 887 O PHE A1889 -114.113 52.356 43.609 1.00 31.27 O ATOM 888 CB PHE A1889 -111.958 49.880 43.086 1.00 30.70 C ATOM 889 CG PHE A1889 -111.113 51.043 43.524 1.00 31.17 C ATOM 890 CD1 PHE A1889 -110.807 51.224 44.866 1.00 31.21 C ATOM 891 CD2 PHE A1889 -110.642 51.971 42.598 1.00 31.38 C ATOM 892 CE1 PHE A1889 -110.039 52.302 45.278 1.00 31.66 C ATOM 893 CE2 PHE A1889 -109.875 53.051 43.004 1.00 31.48 C ATOM 894 CZ PHE A1889 -109.573 53.217 44.346 1.00 31.75 C ATOM 895 H PHE A1889 -113.754 48.218 42.284 1.00 0.00 H ATOM 896 N PHE A1890 -114.061 51.511 41.520 1.00 33.00 N ATOM 897 CA PHE A1890 -114.475 52.758 40.883 1.00 34.82 C ATOM 898 C PHE A1890 -115.866 53.185 41.338 1.00 36.63 C ATOM 899 O PHE A1890 -116.065 54.327 41.747 1.00 37.12 O ATOM 900 CB PHE A1890 -114.457 52.640 39.356 1.00 35.10 C ATOM 901 CG PHE A1890 -115.106 53.808 38.662 1.00 35.31 C ATOM 902 CD1 PHE A1890 -114.447 55.026 38.567 1.00 35.54 C ATOM 903 CD2 PHE A1890 -116.385 53.698 38.131 1.00 35.51 C ATOM 904 CE1 PHE A1890 -115.043 56.109 37.943 1.00 35.59 C ATOM 905 CE2 PHE A1890 -116.989 54.778 37.508 1.00 35.65 C ATOM 906 CZ PHE A1890 -116.316 55.985 37.413 1.00 35.79 C ATOM 907 H PHE A1890 -113.882 50.675 40.928 1.00 0.00 H ATOM 908 N GLU A1891 -116.823 52.266 41.250 1.00 39.01 N ATOM 909 CA GLU A1891 -118.203 52.538 41.656 1.00 40.55 C ATOM 910 C GLU A1891 -118.295 52.962 43.122 1.00 41.25 C ATOM 911 O GLU A1891 -119.064 53.857 43.463 1.00 41.46 O ATOM 912 CB GLU A1891 -119.092 51.313 41.403 1.00 41.41 C ATOM 913 CG GLU A1891 -119.435 51.090 39.932 1.00 42.24 C ATOM 914 CD GLU A1891 -120.205 49.799 39.675 1.00 43.13 C ATOM 915 OE1 GLU A1891 -120.390 48.993 40.616 1.00 43.29 O ATOM 916 OE2 GLU A1891 -120.625 49.584 38.518 1.00 43.29 O ATOM 917 H GLU A1891 -116.583 51.324 40.881 1.00 0.00 H ATOM 918 N SER A1892 -117.502 52.324 43.979 1.00 42.29 N ATOM 919 CA SER A1892 -117.492 52.642 45.405 1.00 43.80 C ATOM 920 C SER A1892 -116.964 54.053 45.680 1.00 45.47 C ATOM 921 O SER A1892 -117.635 54.843 46.348 1.00 44.77 O ATOM 922 CB SER A1892 -116.664 51.609 46.174 1.00 43.66 C ATOM 923 OG SER A1892 -116.810 51.783 47.572 1.00 43.84 O ATOM 924 HG SER A1892 -116.503 52.690 47.824 1.00 0.00 H ATOM 925 H SER A1892 -116.871 51.577 43.624 1.00 0.00 H ATOM 926 N ARG A1893 -115.770 54.360 45.168 1.00 48.43 N ATOM 927 CA ARG A1893 -115.157 55.688 45.347 1.00 50.85 C ATOM 928 C ARG A1893 -115.994 56.785 44.706 1.00 51.88 C ATOM 929 O ARG A1893 -116.188 57.848 45.295 1.00 54.16 O ATOM 930 CB ARG A1893 -113.740 55.743 44.757 1.00 51.81 C ATOM 931 CG ARG A1893 -112.679 54.994 45.550 1.00 53.57 C ATOM 932 CD ARG A1893 -112.276 55.707 46.837 1.00 54.55 C ATOM 933 NE ARG A1893 -111.405 56.870 46.613 1.00 55.21 N ATOM 934 CZ ARG A1893 -111.697 58.139 46.920 1.00 55.93 C ATOM 935 NH1 ARG A1893 -112.860 58.475 47.480 1.00 56.50 N ATOM 936 NH2 ARG A1893 -110.807 59.095 46.665 1.00 54.99 N ATOM 937 HE ARG A1893 -110.478 56.690 46.177 1.00 0.00 H ATOM 938 HH12 ARG A1893 -113.059 59.470 47.708 1.00 0.00 H ATOM 939 HH11 ARG A1893 -113.568 57.742 47.689 1.00 0.00 H ATOM 940 HH22 ARG A1893 -111.025 60.084 46.900 1.00 0.00 H ATOM 941 HH21 ARG A1893 -109.894 58.853 46.231 1.00 0.00 H ATOM 942 H ARG A1893 -115.255 53.638 44.625 1.00 0.00 H ATOM 943 N TRP A1894 -116.480 56.521 43.497 1.00 52.54 N ATOM 944 CA TRP A1894 -117.292 57.483 42.757 1.00 54.40 C ATOM 945 C TRP A1894 -118.534 57.910 43.534 1.00 56.60 C ATOM 946 O TRP A1894 -118.908 59.078 43.514 1.00 56.69 O ATOM 947 CB TRP A1894 -117.712 56.897 41.406 1.00 54.34 C ATOM 948 CG TRP A1894 -118.345 57.891 40.491 1.00 54.57 C ATOM 949 CD1 TRP A1894 -119.678 58.057 40.252 1.00 54.71 C ATOM 950 CD2 TRP A1894 -117.668 58.862 39.690 1.00 54.96 C ATOM 951 NE1 TRP A1894 -119.873 59.074 39.348 1.00 54.86 N ATOM 952 CE2 TRP A1894 -118.655 59.586 38.987 1.00 55.07 C ATOM 953 CE3 TRP A1894 -116.321 59.194 39.500 1.00 55.73 C ATOM 954 CZ2 TRP A1894 -118.337 60.623 38.106 1.00 55.39 C ATOM 955 CZ3 TRP A1894 -116.004 60.222 38.623 1.00 56.00 C ATOM 956 CH2 TRP A1894 -117.008 60.922 37.936 1.00 56.22 C ATOM 957 HE1 TRP A1894 -120.795 59.401 38.996 1.00 0.00 H ATOM 958 H TRP A1894 -116.275 55.598 43.064 1.00 0.00 H ATOM 959 N GLU A1895 -119.160 56.964 44.224 1.00 60.94 N ATOM 960 CA GLU A1895 -120.440 57.218 44.884 1.00 64.38 C ATOM 961 C GLU A1895 -120.307 57.822 46.285 1.00 66.52 C ATOM 962 O GLU A1895 -121.254 58.438 46.775 1.00 67.99 O ATOM 963 CB GLU A1895 -121.291 55.941 44.901 1.00 65.43 C ATOM 964 CG GLU A1895 -121.944 55.656 43.549 1.00 66.38 C ATOM 965 CD GLU A1895 -122.318 54.197 43.339 1.00 67.21 C ATOM 966 OE1 GLU A1895 -122.620 53.496 44.330 1.00 68.10 O ATOM 967 OE2 GLU A1895 -122.316 53.753 42.169 1.00 65.62 O ATOM 968 H GLU A1895 -118.730 56.020 44.297 1.00 0.00 H ATOM 969 N GLU A1896 -119.148 57.668 46.923 1.00 68.83 N ATOM 970 CA GLU A1896 -118.912 58.321 48.216 1.00 72.25 C ATOM 971 C GLU A1896 -118.513 59.793 48.067 1.00 76.34 C ATOM 972 O GLU A1896 -118.512 60.535 49.051 1.00 77.30 O ATOM 973 CB GLU A1896 -117.877 57.561 49.055 1.00 71.12 C ATOM 974 CG GLU A1896 -116.436 57.657 48.580 1.00 70.00 C ATOM 975 CD GLU A1896 -115.469 57.067 49.586 1.00 69.18 C ATOM 976 OE1 GLU A1896 -114.762 56.099 49.239 1.00 68.59 O ATOM 977 OE2 GLU A1896 -115.431 57.562 50.733 1.00 68.09 O ATOM 978 H GLU A1896 -118.402 57.079 46.500 1.00 0.00 H ATOM 979 N PHE A1897 -118.160 60.206 46.850 1.00 80.15 N ATOM 980 CA PHE A1897 -117.962 61.623 46.542 1.00 83.76 C ATOM 981 C PHE A1897 -119.187 62.231 45.850 1.00 83.45 C ATOM 982 O PHE A1897 -119.437 63.431 45.979 1.00 82.58 O ATOM 983 CB PHE A1897 -116.719 61.813 45.675 1.00 86.88 C ATOM 984 CG PHE A1897 -116.171 63.215 45.701 1.00 92.11 C ATOM 985 CD1 PHE A1897 -115.264 63.602 46.684 1.00 93.85 C ATOM 986 CD2 PHE A1897 -116.563 64.151 44.749 1.00 93.64 C ATOM 987 CE1 PHE A1897 -114.756 64.893 46.713 1.00 95.01 C ATOM 988 CE2 PHE A1897 -116.058 65.444 44.774 1.00 94.35 C ATOM 989 CZ PHE A1897 -115.154 65.816 45.757 1.00 94.55 C ATOM 990 H PHE A1897 -118.021 59.501 46.098 1.00 0.00 H ATOM 991 N TYR A1898 -119.937 61.406 45.117 1.00 83.91 N ATOM 992 CA TYR A1898 -121.179 61.829 44.466 1.00 83.48 C ATOM 993 C TYR A1898 -122.362 61.018 44.990 1.00 81.69 C ATOM 994 O TYR A1898 -122.843 61.247 46.099 1.00 77.98 O ATOM 995 CB TYR A1898 -121.071 61.661 42.949 1.00 84.27 C ATOM 996 CG TYR A1898 -119.999 62.518 42.313 1.00 85.91 C ATOM 997 CD1 TYR A1898 -120.268 63.826 41.920 1.00 87.00 C ATOM 998 CD2 TYR A1898 -118.714 62.022 42.103 1.00 86.55 C ATOM 999 CE1 TYR A1898 -119.288 64.615 41.338 1.00 87.40 C ATOM 1000 CE2 TYR A1898 -117.729 62.802 41.521 1.00 87.15 C ATOM 1001 CZ TYR A1898 -118.021 64.097 41.141 1.00 87.51 C ATOM 1002 OH TYR A1898 -117.045 64.874 40.564 1.00 89.25 O ATOM 1003 HH TYR A1898 -117.417 65.767 40.354 1.00 0.00 H ATOM 1004 H TYR A1898 -119.626 60.420 45.003 1.00 0.00 H TER 1005 TYR A1898 HETATM 1006 O HOH 1 -111.466 46.758 29.482 1.00 24.17 O HETATM 1007 O HOH 2 -107.926 35.005 41.987 1.00 26.44 O HETATM 1008 O HOH 3 -111.628 44.924 27.426 1.00 27.34 O HETATM 1009 O HOH 4 -106.468 47.528 28.306 1.00 19.84 O HETATM 1010 O HOH 5 -109.153 48.224 28.977 1.00 21.89 O HETATM 1011 O HOH 6 -121.373 49.062 35.904 1.00 25.96 O HETATM 1012 O HOH 7 -102.081 61.773 40.107 1.00 25.76 O HETATM 1013 O HOH 8 -117.465 48.545 23.053 1.00 15.27 O HETATM 1014 O HOH 9 -114.770 41.451 34.539 1.00 22.95 O HETATM 1015 O HOH 10 -108.272 37.591 15.902 1.00 25.43 O HETATM 1016 O HOH 11 -110.196 47.867 46.073 1.00 18.69 O HETATM 1017 O HOH 12 -121.531 53.338 47.155 1.00 30.72 O HETATM 1018 O HOH 13 -102.290 44.342 25.345 1.00 23.23 O HETATM 1019 O HOH 14 -117.614 65.325 24.633 1.00 33.19 O HETATM 1020 O HOH 15 -106.902 33.750 32.560 1.00 17.96 O HETATM 1021 O HOH 16 -117.920 54.008 49.516 1.00 27.82 O HETATM 1022 O HOH 17 -113.083 43.245 45.526 1.00 2.00 O HETATM 1023 O HOH 18 -110.734 34.614 18.007 1.00 28.07 O HETATM 1024 O HOH 19 -108.732 54.692 47.482 1.00 29.71 O HETATM 1025 O HOH 20 -124.339 50.353 43.310 1.00 20.86 O HETATM 1026 O HOH 21 -101.516 41.965 25.998 1.00 20.96 O HETATM 1027 O HOH 22 -101.920 39.349 26.562 1.00 22.74 O HETATM 1028 O HOH 23 -108.892 46.805 19.172 1.00 30.71 O HETATM 1029 C14 UNN A 24 -102.369 45.890 29.134 1.00 -0.02 C HETATM 1030 C13 UNN A 24 -103.359 45.618 28.165 1.00 0.02 C HETATM 1031 N12 UNN A 24 -103.853 44.367 28.097 1.00 -0.24 N HETATM 1032 C11 UNN A 24 -103.432 43.412 28.923 1.00 0.27 C HETATM 1033 O10 UNN A 24 -103.953 42.091 28.843 1.00 -0.21 O HETATM 1034 C06 UNN A 24 -105.277 41.890 28.373 1.00 0.13 C HETATM 1035 C05 UNN A 24 -106.339 42.744 28.681 1.00 -0.01 C HETATM 1036 C04 UNN A 24 -107.622 42.481 28.193 1.00 0.03 C HETATM 1037 C02 UNN A 24 -108.784 43.410 28.513 1.00 0.13 C HETATM 1038 C01 UNN A 24 -108.553 44.724 29.232 1.00 0.01 C HETATM 1039 H4 UNN A 24 -107.480 44.841 29.446 1.00 0.04 H HETATM 1040 H5 UNN A 24 -109.118 44.730 30.176 1.00 0.04 H HETATM 1041 H6 UNN A 24 -108.893 45.555 28.596 1.00 0.04 H HETATM 1042 O03 UNN A 24 -109.916 43.102 28.191 1.00 -0.38 O HETATM 1043 C09 UNN A 24 -107.841 41.350 27.409 1.00 -0.05 C HETATM 1044 C08 UNN A 24 -106.788 40.492 27.111 1.00 -0.06 C HETATM 1045 C07 UNN A 24 -105.513 40.762 27.595 1.00 -0.02 C HETATM 1046 H8 UNN A 24 -104.696 40.088 27.364 1.00 0.06 H HETATM 1047 H9 UNN A 24 -106.961 39.613 26.501 1.00 0.06 H HETATM 1048 H10 UNN A 24 -108.835 41.139 27.030 1.00 0.06 H HETATM 1049 H7 UNN A 24 -106.167 43.616 29.302 1.00 0.06 H HETATM 1050 N16 UNN A 24 -102.495 43.625 29.842 1.00 -0.24 N HETATM 1051 C15 UNN A 24 -101.944 44.846 29.979 1.00 0.02 C HETATM 1052 H3 UNN A 24 -101.183 45.023 30.730 1.00 0.09 H HETATM 1053 H2 UNN A 24 -103.711 46.394 27.495 1.00 0.09 H HETATM 1054 H1 UNN A 24 -101.944 46.883 29.226 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1029 1030 1051 1054 CONECT 1030 1029 1031 1053 CONECT 1031 1030 1032 CONECT 1032 1031 1033 1050 CONECT 1033 1032 1034 CONECT 1034 1033 1035 1045 CONECT 1035 1034 1036 1049 CONECT 1036 1035 1037 1043 CONECT 1037 1036 1038 1042 CONECT 1038 1037 1039 1040 1041 CONECT 1039 1038 CONECT 1040 1038 CONECT 1041 1038 CONECT 1042 1037 CONECT 1043 1036 1044 1048 CONECT 1044 1043 1045 1047 CONECT 1045 1034 1044 1046 CONECT 1046 1045 CONECT 1047 1044 CONECT 1048 1043 CONECT 1049 1035 CONECT 1050 1032 1051 CONECT 1051 1029 1050 1052 CONECT 1052 1051 CONECT 1053 1030 CONECT 1054 1029 MASTER 0 0 0 0 0 0 0 0 1053 1 30 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5mgm
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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5mgm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2A
Ligand Name
7MZ
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd>500uM
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
1
2
H
1
0
N
2
O
2
Molecular Weight
214.220
Exact Mass
214.074
No. of atoms
26
No. of bonds
27
Polar Surface Area
52.08
LOGP Value
1.75 (
Computed with XLOGP3
)
2.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CC(=O)c1cccc(c1)Oc1ncccn1
InChI String
InChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3
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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