Browse entries in the PDBbind-CN Database
HEADER 5MGL_COMPLEX COMPND 5MGL_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 152 18 ATOM 1 N LEU A1799 66.898 14.868 5.349 1.00 54.68 N ATOM 2 CA LEU A1799 65.795 15.500 4.627 1.00 54.11 C ATOM 3 C LEU A1799 64.587 15.721 5.532 1.00 53.70 C ATOM 4 O LEU A1799 63.635 16.396 5.153 1.00 53.01 O ATOM 5 CB LEU A1799 65.387 14.657 3.418 1.00 53.73 C ATOM 6 CG LEU A1799 65.726 15.227 2.039 1.00 53.14 C ATOM 7 CD1 LEU A1799 67.224 15.445 1.914 1.00 52.99 C ATOM 8 CD2 LEU A1799 65.220 14.304 0.943 1.00 53.04 C ATOM 9 HN3 LEU A1799 66.588 13.945 5.715 1.00 0.00 H ATOM 10 HN2 LEU A1799 67.187 15.477 6.141 1.00 0.00 H ATOM 11 HN1 LEU A1799 67.702 14.733 4.703 1.00 0.00 H ATOM 12 N THR A1800 64.628 15.130 6.723 1.00 54.05 N ATOM 13 CA THR A1800 63.587 15.334 7.727 1.00 54.05 C ATOM 14 C THR A1800 63.651 16.761 8.257 1.00 53.56 C ATOM 15 O THR A1800 62.616 17.420 8.419 1.00 53.06 O ATOM 16 CB THR A1800 63.723 14.343 8.893 1.00 54.28 C ATOM 17 OG1 THR A1800 63.434 13.026 8.419 1.00 54.57 O ATOM 18 CG2 THR A1800 62.758 14.678 10.011 1.00 54.22 C ATOM 19 HG1 THR A1800 62.510 13.000 8.063 1.00 0.00 H ATOM 20 H THR A1800 65.427 14.503 6.946 1.00 0.00 H ATOM 21 N PHE A1801 64.867 17.233 8.520 1.00 53.32 N ATOM 22 CA PHE A1801 65.066 18.584 9.016 1.00 52.32 C ATOM 23 C PHE A1801 64.742 19.602 7.930 1.00 49.53 C ATOM 24 O PHE A1801 64.295 20.711 8.226 1.00 49.40 O ATOM 25 CB PHE A1801 66.494 18.778 9.507 1.00 53.92 C ATOM 26 CG PHE A1801 66.713 20.088 10.208 1.00 55.06 C ATOM 27 CD1 PHE A1801 66.255 20.276 11.503 1.00 55.25 C ATOM 28 CD2 PHE A1801 67.363 21.136 9.573 1.00 55.29 C ATOM 29 CE1 PHE A1801 66.445 21.477 12.153 1.00 55.02 C ATOM 30 CE2 PHE A1801 67.556 22.341 10.220 1.00 55.07 C ATOM 31 CZ PHE A1801 67.095 22.512 11.511 1.00 54.90 C ATOM 32 H PHE A1801 65.694 16.621 8.367 1.00 0.00 H ATOM 33 N CYS A1802 64.971 19.219 6.675 1.00 47.12 N ATOM 34 CA CYS A1802 64.629 20.070 5.540 1.00 44.85 C ATOM 35 C CYS A1802 63.129 20.339 5.512 1.00 42.24 C ATOM 36 O CYS A1802 62.688 21.419 5.127 1.00 41.68 O ATOM 37 CB CYS A1802 65.078 19.431 4.225 1.00 45.34 C ATOM 38 SG CYS A1802 66.870 19.282 4.038 1.00 44.83 S ATOM 39 H CYS A1802 65.404 18.290 6.500 1.00 0.00 H ATOM 40 N GLU A1803 62.352 19.344 5.924 1.00 40.36 N ATOM 41 CA GLU A1803 60.911 19.502 6.044 1.00 38.82 C ATOM 42 C GLU A1803 60.567 20.428 7.202 1.00 37.40 C ATOM 43 O GLU A1803 59.713 21.305 7.079 1.00 37.20 O ATOM 44 CB GLU A1803 60.236 18.142 6.237 1.00 38.97 C ATOM 45 CG GLU A1803 58.769 18.230 6.612 1.00 39.17 C ATOM 46 CD GLU A1803 57.959 19.008 5.599 1.00 39.35 C ATOM 47 OE1 GLU A1803 58.176 18.809 4.385 1.00 39.52 O ATOM 48 OE2 GLU A1803 57.114 19.826 6.020 1.00 39.21 O ATOM 49 H GLU A1803 62.784 18.430 6.167 1.00 0.00 H ATOM 50 N ILE A1804 61.238 20.216 8.329 1.00 36.35 N ATOM 51 CA ILE A1804 61.015 21.012 9.530 1.00 35.05 C ATOM 52 C ILE A1804 61.297 22.491 9.295 1.00 34.59 C ATOM 53 O ILE A1804 60.478 23.349 9.624 1.00 34.82 O ATOM 54 CB ILE A1804 61.894 20.518 10.700 1.00 34.19 C ATOM 55 CG1 ILE A1804 61.500 19.096 11.097 1.00 33.93 C ATOM 56 CG2 ILE A1804 61.780 21.456 11.893 1.00 33.65 C ATOM 57 CD1 ILE A1804 62.294 18.543 12.260 1.00 33.95 C ATOM 58 H ILE A1804 61.947 19.456 8.355 1.00 0.00 H ATOM 59 N ILE A1805 62.455 22.781 8.712 1.00 33.84 N ATOM 60 CA ILE A1805 62.897 24.158 8.538 1.00 33.11 C ATOM 61 C ILE A1805 62.162 24.858 7.393 1.00 33.23 C ATOM 62 O ILE A1805 62.022 26.081 7.398 1.00 33.51 O ATOM 63 CB ILE A1805 64.425 24.224 8.299 1.00 32.36 C ATOM 64 CG1 ILE A1805 64.939 25.653 8.483 1.00 33.08 C ATOM 65 CG2 ILE A1805 64.791 23.671 6.928 1.00 30.90 C ATOM 66 CD1 ILE A1805 66.442 25.755 8.492 1.00 33.61 C ATOM 67 H ILE A1805 63.060 22.007 8.372 1.00 0.00 H ATOM 68 N LEU A1806 61.679 24.089 6.421 1.00 32.70 N ATOM 69 CA LEU A1806 60.920 24.671 5.319 1.00 31.94 C ATOM 70 C LEU A1806 59.531 25.066 5.799 1.00 31.48 C ATOM 71 O LEU A1806 59.024 26.131 5.448 1.00 31.30 O ATOM 72 CB LEU A1806 60.817 23.702 4.142 1.00 31.81 C ATOM 73 CG LEU A1806 60.017 24.198 2.934 1.00 31.37 C ATOM 74 CD1 LEU A1806 60.578 25.514 2.410 1.00 30.90 C ATOM 75 CD2 LEU A1806 59.996 23.147 1.837 1.00 31.58 C ATOM 76 H LEU A1806 61.844 23.062 6.447 1.00 0.00 H ATOM 77 N MET A1807 58.922 24.203 6.604 1.00 31.12 N ATOM 78 CA MET A1807 57.612 24.468 7.187 1.00 31.00 C ATOM 79 C MET A1807 57.655 25.704 8.079 1.00 30.72 C ATOM 80 O MET A1807 56.747 26.537 8.065 1.00 30.86 O ATOM 81 CB MET A1807 57.135 23.250 7.983 1.00 31.00 C ATOM 82 CG MET A1807 56.259 23.575 9.184 1.00 30.99 C ATOM 83 SD MET A1807 55.845 22.112 10.155 1.00 42.56 S ATOM 84 CE MET A1807 57.476 21.477 10.535 1.00 18.10 C ATOM 85 H MET A1807 59.397 23.305 6.827 1.00 0.00 H ATOM 86 N GLU A1808 58.721 25.809 8.866 1.00 30.52 N ATOM 87 CA GLU A1808 58.898 26.946 9.760 1.00 30.38 C ATOM 88 C GLU A1808 59.144 28.222 8.964 1.00 29.68 C ATOM 89 O GLU A1808 58.695 29.301 9.352 1.00 29.91 O ATOM 90 CB GLU A1808 60.052 26.695 10.732 1.00 31.34 C ATOM 91 CG GLU A1808 59.761 25.633 11.776 1.00 32.68 C ATOM 92 CD GLU A1808 60.924 25.411 12.722 1.00 34.03 C ATOM 93 OE1 GLU A1808 62.016 25.962 12.465 1.00 34.88 O ATOM 94 OE2 GLU A1808 60.746 24.688 13.724 1.00 33.98 O ATOM 95 H GLU A1808 59.445 25.063 8.843 1.00 0.00 H ATOM 96 N MET A1809 59.856 28.092 7.849 1.00 28.66 N ATOM 97 CA MET A1809 60.092 29.229 6.969 1.00 27.67 C ATOM 98 C MET A1809 58.808 29.656 6.268 1.00 28.14 C ATOM 99 O MET A1809 58.526 30.844 6.161 1.00 28.02 O ATOM 100 CB MET A1809 61.173 28.907 5.934 1.00 26.67 C ATOM 101 CG MET A1809 62.597 29.087 6.444 1.00 26.31 C ATOM 102 SD MET A1809 63.823 29.144 5.123 1.00 34.35 S ATOM 103 CE MET A1809 63.655 27.505 4.418 1.00 17.74 C ATOM 104 H MET A1809 60.251 27.163 7.601 1.00 0.00 H ATOM 105 N GLU A1810 58.032 28.683 5.798 1.00 28.84 N ATOM 106 CA GLU A1810 56.771 28.963 5.113 1.00 28.97 C ATOM 107 C GLU A1810 55.772 29.682 6.018 1.00 28.63 C ATOM 108 O GLU A1810 54.960 30.482 5.551 1.00 29.20 O ATOM 109 CB GLU A1810 56.148 27.667 4.584 1.00 28.75 C ATOM 110 CG GLU A1810 56.831 27.083 3.356 1.00 28.82 C ATOM 111 CD GLU A1810 56.381 25.663 3.063 1.00 29.03 C ATOM 112 OE1 GLU A1810 55.873 24.997 3.991 1.00 29.23 O ATOM 113 OE2 GLU A1810 56.534 25.212 1.908 1.00 29.17 O ATOM 114 H GLU A1810 58.331 27.695 5.921 1.00 0.00 H ATOM 115 N SER A1811 55.841 29.397 7.315 1.00 31.72 N ATOM 116 CA SER A1811 54.888 29.945 8.275 1.00 29.72 C ATOM 117 C SER A1811 55.451 31.130 9.056 1.00 27.81 C ATOM 118 O SER A1811 54.816 31.626 9.987 1.00 26.99 O ATOM 119 CB SER A1811 54.439 28.853 9.247 1.00 29.15 C ATOM 120 OG SER A1811 55.553 28.245 9.877 1.00 28.38 O ATOM 121 HG SER A1811 56.138 27.838 9.190 1.00 0.00 H ATOM 122 H SER A1811 56.595 28.766 7.655 1.00 0.00 H ATOM 123 N HIS A1812 56.640 31.583 8.673 1.00 27.28 N ATOM 124 CA HIS A1812 57.277 32.715 9.338 1.00 26.39 C ATOM 125 C HIS A1812 56.559 34.020 8.997 1.00 27.32 C ATOM 126 O HIS A1812 55.971 34.146 7.924 1.00 28.12 O ATOM 127 CB HIS A1812 58.753 32.799 8.945 1.00 24.47 C ATOM 128 CG HIS A1812 59.595 33.582 9.902 1.00 22.74 C ATOM 129 ND1 HIS A1812 59.544 34.959 9.990 1.00 22.40 N ATOM 130 CD2 HIS A1812 60.522 33.187 10.806 1.00 21.68 C ATOM 131 CE1 HIS A1812 60.393 35.373 10.909 1.00 21.62 C ATOM 132 NE2 HIS A1812 61.004 34.315 11.421 1.00 21.24 N ATOM 133 H HIS A1812 57.128 31.120 7.880 1.00 0.00 H ATOM 134 N ASP A1813 56.606 34.982 9.914 1.00 26.97 N ATOM 135 CA ASP A1813 55.957 36.275 9.717 1.00 26.94 C ATOM 136 C ASP A1813 56.508 37.024 8.509 1.00 27.06 C ATOM 137 O ASP A1813 55.752 37.600 7.728 1.00 28.10 O ATOM 138 CB ASP A1813 56.110 37.143 10.969 1.00 26.78 C ATOM 139 CG ASP A1813 55.106 36.792 12.051 1.00 27.36 C ATOM 140 OD1 ASP A1813 54.413 35.762 11.911 1.00 27.85 O ATOM 141 OD2 ASP A1813 55.009 37.552 13.038 1.00 27.22 O ATOM 142 H ASP A1813 57.122 34.808 10.800 1.00 0.00 H ATOM 143 N ALA A1814 57.829 37.016 8.362 1.00 25.97 N ATOM 144 CA ALA A1814 58.488 37.775 7.303 1.00 24.96 C ATOM 145 C ALA A1814 58.670 36.957 6.027 1.00 24.79 C ATOM 146 O ALA A1814 59.534 37.262 5.206 1.00 24.52 O ATOM 147 CB ALA A1814 59.838 38.290 7.790 1.00 23.78 C ATOM 148 H ALA A1814 58.408 36.455 9.018 1.00 0.00 H ATOM 149 N ALA A1815 57.847 35.928 5.856 1.00 25.15 N ATOM 150 CA ALA A1815 58.006 35.005 4.737 1.00 25.72 C ATOM 151 C ALA A1815 57.167 35.389 3.523 1.00 26.86 C ATOM 152 O ALA A1815 57.224 34.724 2.490 1.00 27.35 O ATOM 153 CB ALA A1815 57.660 33.602 5.174 1.00 25.40 C ATOM 154 H ALA A1815 57.073 35.777 6.534 1.00 0.00 H ATOM 155 N TRP A1816 56.397 36.466 3.645 1.00 26.96 N ATOM 156 CA TRP A1816 55.496 36.883 2.571 1.00 26.74 C ATOM 157 C TRP A1816 56.151 37.214 1.214 1.00 26.23 C ATOM 158 O TRP A1816 55.499 37.067 0.180 1.00 26.39 O ATOM 159 CB TRP A1816 54.656 38.084 3.031 1.00 26.72 C ATOM 160 CG TRP A1816 55.443 39.272 3.494 1.00 26.46 C ATOM 161 CD1 TRP A1816 55.897 39.514 4.758 1.00 26.07 C ATOM 162 CD2 TRP A1816 55.851 40.394 2.700 1.00 26.06 C ATOM 163 NE1 TRP A1816 56.571 40.710 4.798 1.00 25.55 N ATOM 164 CE2 TRP A1816 56.558 41.270 3.549 1.00 25.51 C ATOM 165 CE3 TRP A1816 55.696 40.738 1.353 1.00 25.71 C ATOM 166 CZ2 TRP A1816 57.106 42.468 3.095 1.00 24.91 C ATOM 167 CZ3 TRP A1816 56.241 41.927 0.905 1.00 25.42 C ATOM 168 CH2 TRP A1816 56.937 42.778 1.774 1.00 25.07 C ATOM 169 HE1 TRP A1816 57.019 41.123 5.641 1.00 0.00 H ATOM 170 H TRP A1816 56.436 37.023 4.522 1.00 0.00 H ATOM 171 N PRO A1817 57.425 37.659 1.190 1.00 25.53 N ATOM 172 CA PRO A1817 57.927 37.899 -0.169 1.00 25.62 C ATOM 173 C PRO A1817 58.399 36.635 -0.888 1.00 25.92 C ATOM 174 O PRO A1817 58.662 36.689 -2.088 1.00 26.29 O ATOM 175 CB PRO A1817 59.114 38.851 0.053 1.00 25.35 C ATOM 176 CG PRO A1817 58.992 39.329 1.463 1.00 25.07 C ATOM 177 CD PRO A1817 58.344 38.211 2.199 1.00 24.98 C ATOM 178 N PHE A1818 58.500 35.517 -0.175 1.00 25.90 N ATOM 179 CA PHE A1818 59.147 34.332 -0.734 1.00 25.24 C ATOM 180 C PHE A1818 58.247 33.098 -0.771 1.00 25.29 C ATOM 181 O PHE A1818 58.717 31.992 -1.037 1.00 24.87 O ATOM 182 CB PHE A1818 60.419 34.020 0.057 1.00 24.41 C ATOM 183 CG PHE A1818 61.159 35.243 0.511 1.00 23.95 C ATOM 184 CD1 PHE A1818 61.941 35.963 -0.375 1.00 23.81 C ATOM 185 CD2 PHE A1818 61.065 35.678 1.824 1.00 23.66 C ATOM 186 CE1 PHE A1818 62.618 37.090 0.037 1.00 23.67 C ATOM 187 CE2 PHE A1818 61.742 36.806 2.241 1.00 23.33 C ATOM 188 CZ PHE A1818 62.517 37.512 1.345 1.00 23.31 C ATOM 189 H PHE A1818 58.115 35.486 0.790 1.00 0.00 H ATOM 190 N LEU A1819 56.958 33.287 -0.509 1.00 26.11 N ATOM 191 CA LEU A1819 56.007 32.181 -0.547 1.00 26.88 C ATOM 192 C LEU A1819 55.777 31.702 -1.977 1.00 28.23 C ATOM 193 O LEU A1819 55.744 30.501 -2.243 1.00 28.36 O ATOM 194 CB LEU A1819 54.677 32.590 0.088 1.00 26.44 C ATOM 195 CG LEU A1819 54.712 32.908 1.583 1.00 25.58 C ATOM 196 CD1 LEU A1819 53.335 33.317 2.081 1.00 25.73 C ATOM 197 CD2 LEU A1819 55.241 31.719 2.369 1.00 25.31 C ATOM 198 H LEU A1819 56.620 34.242 -0.272 1.00 0.00 H ATOM 199 N GLU A1820 55.621 32.653 -2.892 1.00 29.60 N ATOM 200 CA GLU A1820 55.356 32.342 -4.292 1.00 31.88 C ATOM 201 C GLU A1820 56.426 32.940 -5.204 1.00 31.99 C ATOM 202 O GLU A1820 57.088 33.908 -4.827 1.00 31.63 O ATOM 203 CB GLU A1820 53.967 32.853 -4.690 1.00 34.21 C ATOM 204 CG GLU A1820 52.823 32.149 -3.976 1.00 36.44 C ATOM 205 CD GLU A1820 52.785 30.656 -4.261 1.00 38.42 C ATOM 206 OE1 GLU A1820 53.151 30.252 -5.386 1.00 39.61 O ATOM 207 OE2 GLU A1820 52.396 29.887 -3.356 1.00 38.47 O ATOM 208 H GLU A1820 55.690 33.649 -2.601 1.00 0.00 H ATOM 209 N PRO A1821 56.607 32.360 -6.405 1.00 32.32 N ATOM 210 CA PRO A1821 57.594 32.894 -7.350 1.00 31.52 C ATOM 211 C PRO A1821 57.295 34.338 -7.740 1.00 30.63 C ATOM 212 O PRO A1821 56.129 34.704 -7.889 1.00 30.79 O ATOM 213 CB PRO A1821 57.462 31.968 -8.565 1.00 32.35 C ATOM 214 CG PRO A1821 56.858 30.716 -8.033 1.00 33.02 C ATOM 215 CD PRO A1821 55.951 31.145 -6.921 1.00 33.06 C ATOM 216 N VAL A1822 58.342 35.142 -7.889 1.00 30.01 N ATOM 217 CA VAL A1822 58.192 36.528 -8.314 1.00 30.70 C ATOM 218 C VAL A1822 57.580 36.592 -9.708 1.00 31.55 C ATOM 219 O VAL A1822 58.039 35.909 -10.624 1.00 32.00 O ATOM 220 CB VAL A1822 59.546 37.267 -8.312 1.00 30.89 C ATOM 221 CG1 VAL A1822 59.410 38.640 -8.949 1.00 31.00 C ATOM 222 CG2 VAL A1822 60.092 37.378 -6.895 1.00 30.65 C ATOM 223 H VAL A1822 59.295 34.772 -7.697 1.00 0.00 H ATOM 224 N ASN A1823 56.533 37.397 -9.861 1.00 31.51 N ATOM 225 CA ASN A1823 55.896 37.578 -11.161 1.00 31.21 C ATOM 226 C ASN A1823 56.608 38.663 -11.962 1.00 29.87 C ATOM 227 O ASN A1823 56.490 39.849 -11.650 1.00 29.45 O ATOM 228 CB ASN A1823 54.415 37.923 -10.993 1.00 32.16 C ATOM 229 CG ASN A1823 53.648 37.874 -12.305 1.00 33.27 C ATOM 230 OD1 ASN A1823 54.203 37.552 -13.355 1.00 33.54 O ATOM 231 ND2 ASN A1823 52.359 38.185 -12.245 1.00 33.91 N ATOM 232 HD22 ASN A1823 51.930 38.452 -11.336 1.00 0.00 H ATOM 233 HD21 ASN A1823 51.778 38.162 -13.107 1.00 0.00 H ATOM 234 H ASN A1823 56.160 37.909 -9.036 1.00 0.00 H ATOM 235 N PRO A1824 57.349 38.257 -13.005 1.00 29.23 N ATOM 236 CA PRO A1824 58.171 39.176 -13.801 1.00 28.85 C ATOM 237 C PRO A1824 57.340 40.224 -14.540 1.00 29.03 C ATOM 238 O PRO A1824 57.868 41.268 -14.922 1.00 28.66 O ATOM 239 CB PRO A1824 58.881 38.244 -14.787 1.00 28.87 C ATOM 240 CG PRO A1824 57.985 37.063 -14.895 1.00 28.95 C ATOM 241 CD PRO A1824 57.393 36.882 -13.533 1.00 28.91 C ATOM 242 N ARG A1825 56.055 39.942 -14.732 1.00 29.87 N ATOM 243 CA ARG A1825 55.143 40.897 -15.351 1.00 30.92 C ATOM 244 C ARG A1825 54.859 42.064 -14.413 1.00 31.19 C ATOM 245 O ARG A1825 54.589 43.180 -14.855 1.00 31.65 O ATOM 246 CB ARG A1825 53.832 40.215 -15.738 1.00 31.55 C ATOM 247 CG ARG A1825 53.968 39.148 -16.805 1.00 32.00 C ATOM 248 CD ARG A1825 52.669 38.376 -16.951 1.00 32.70 C ATOM 249 NE ARG A1825 52.714 37.429 -18.060 1.00 32.67 N ATOM 250 CZ ARG A1825 51.751 36.553 -18.329 1.00 32.45 C ATOM 251 NH1 ARG A1825 50.669 36.498 -17.564 1.00 32.56 N ATOM 252 NH2 ARG A1825 51.871 35.727 -19.359 1.00 32.42 N ATOM 253 HE ARG A1825 53.551 37.440 -18.678 1.00 0.00 H ATOM 254 HH12 ARG A1825 49.917 35.812 -17.776 1.00 0.00 H ATOM 255 HH11 ARG A1825 50.573 37.141 -16.752 1.00 0.00 H ATOM 256 HH22 ARG A1825 51.116 35.043 -19.567 1.00 0.00 H ATOM 257 HH21 ARG A1825 52.720 35.763 -19.959 1.00 0.00 H ATOM 258 H ARG A1825 55.690 39.015 -14.433 1.00 0.00 H ATOM 259 N LEU A1826 54.923 41.793 -13.114 1.00 30.90 N ATOM 260 CA LEU A1826 54.581 42.782 -12.100 1.00 30.64 C ATOM 261 C LEU A1826 55.815 43.482 -11.546 1.00 30.95 C ATOM 262 O LEU A1826 55.722 44.580 -10.998 1.00 30.88 O ATOM 263 CB LEU A1826 53.806 42.121 -10.959 1.00 29.87 C ATOM 264 CG LEU A1826 52.483 41.452 -11.334 1.00 29.99 C ATOM 265 CD1 LEU A1826 51.880 40.744 -10.131 1.00 29.85 C ATOM 266 CD2 LEU A1826 51.516 42.479 -11.895 1.00 30.35 C ATOM 267 H LEU A1826 55.227 40.845 -12.811 1.00 0.00 H ATOM 268 N VAL A1827 56.969 42.840 -11.688 1.00 31.43 N ATOM 269 CA VAL A1827 58.208 43.376 -11.140 1.00 31.54 C ATOM 270 C VAL A1827 59.194 43.733 -12.248 1.00 31.84 C ATOM 271 O VAL A1827 59.831 42.858 -12.835 1.00 31.60 O ATOM 272 CB VAL A1827 58.864 42.378 -10.170 1.00 31.75 C ATOM 273 CG1 VAL A1827 60.065 43.009 -9.499 1.00 31.08 C ATOM 274 CG2 VAL A1827 57.856 41.919 -9.127 1.00 32.11 C ATOM 275 H VAL A1827 56.989 41.936 -12.201 1.00 0.00 H ATOM 276 N SER A1828 59.316 45.029 -12.522 1.00 32.66 N ATOM 277 CA SER A1828 60.146 45.519 -13.616 1.00 33.70 C ATOM 278 C SER A1828 61.627 45.215 -13.417 1.00 32.63 C ATOM 279 O SER A1828 62.215 45.566 -12.393 1.00 31.68 O ATOM 280 CB SER A1828 59.951 47.027 -13.792 1.00 35.28 C ATOM 281 OG SER A1828 60.832 47.545 -14.775 1.00 36.16 O ATOM 282 HG SER A1828 60.685 48.520 -14.868 1.00 0.00 H ATOM 283 H SER A1828 58.801 45.717 -11.935 1.00 0.00 H ATOM 284 N GLY A1829 62.222 44.559 -14.408 1.00 32.48 N ATOM 285 CA GLY A1829 63.650 44.301 -14.412 1.00 31.66 C ATOM 286 C GLY A1829 64.086 43.035 -13.700 1.00 30.96 C ATOM 287 O GLY A1829 65.275 42.713 -13.684 1.00 30.40 O ATOM 288 H GLY A1829 61.646 44.220 -15.205 1.00 0.00 H ATOM 289 N TYR A1830 63.134 42.312 -13.118 1.00 30.70 N ATOM 290 CA TYR A1830 63.461 41.120 -12.342 1.00 29.12 C ATOM 291 C TYR A1830 63.955 39.983 -13.229 1.00 28.47 C ATOM 292 O TYR A1830 64.833 39.218 -12.831 1.00 27.75 O ATOM 293 CB TYR A1830 62.253 40.655 -11.524 1.00 28.02 C ATOM 294 CG TYR A1830 62.623 39.696 -10.418 1.00 26.42 C ATOM 295 CD1 TYR A1830 63.027 40.167 -9.176 1.00 25.53 C ATOM 296 CD2 TYR A1830 62.582 38.320 -10.617 1.00 25.61 C ATOM 297 CE1 TYR A1830 63.374 39.299 -8.159 1.00 24.79 C ATOM 298 CE2 TYR A1830 62.928 37.442 -9.605 1.00 24.97 C ATOM 299 CZ TYR A1830 63.324 37.939 -8.377 1.00 24.63 C ATOM 300 OH TYR A1830 63.672 37.076 -7.363 1.00 24.17 O ATOM 301 HH TYR A1830 63.927 37.597 -6.561 1.00 0.00 H ATOM 302 H TYR A1830 62.140 42.601 -13.217 1.00 0.00 H ATOM 303 N ARG A1831 63.390 39.876 -14.428 1.00 28.82 N ATOM 304 CA ARG A1831 63.787 38.835 -15.373 1.00 29.01 C ATOM 305 C ARG A1831 65.225 39.054 -15.834 1.00 28.09 C ATOM 306 O ARG A1831 65.946 38.104 -16.138 1.00 27.17 O ATOM 307 CB ARG A1831 62.839 38.807 -16.579 1.00 30.55 C ATOM 308 CG ARG A1831 63.018 37.596 -17.487 1.00 31.93 C ATOM 309 CD ARG A1831 62.293 37.765 -18.809 1.00 34.09 C ATOM 310 NE ARG A1831 60.868 38.039 -18.646 1.00 36.40 N ATOM 311 CZ ARG A1831 59.930 37.103 -18.540 1.00 38.24 C ATOM 312 NH1 ARG A1831 60.262 35.821 -18.571 1.00 38.75 N ATOM 313 NH2 ARG A1831 58.658 37.450 -18.397 1.00 38.96 N ATOM 314 HE ARG A1831 60.567 39.034 -18.610 1.00 0.00 H ATOM 315 HH12 ARG A1831 59.526 35.091 -18.488 1.00 0.00 H ATOM 316 HH11 ARG A1831 61.259 35.544 -18.679 1.00 0.00 H ATOM 317 HH22 ARG A1831 57.925 36.717 -18.314 1.00 0.00 H ATOM 318 HH21 ARG A1831 58.393 38.455 -18.368 1.00 0.00 H ATOM 319 H ARG A1831 62.647 40.551 -14.700 1.00 0.00 H ATOM 320 N ARG A1832 65.637 40.317 -15.865 1.00 28.73 N ATOM 321 CA ARG A1832 66.959 40.695 -16.348 1.00 29.41 C ATOM 322 C ARG A1832 68.035 40.554 -15.271 1.00 28.67 C ATOM 323 O ARG A1832 69.154 40.125 -15.553 1.00 28.99 O ATOM 324 CB ARG A1832 66.931 42.132 -16.877 1.00 30.31 C ATOM 325 CG ARG A1832 68.300 42.725 -17.137 1.00 30.79 C ATOM 326 CD ARG A1832 68.205 44.078 -17.825 1.00 31.60 C ATOM 327 NE ARG A1832 67.385 45.027 -17.079 1.00 32.09 N ATOM 328 CZ ARG A1832 67.817 45.735 -16.040 1.00 31.66 C ATOM 329 NH1 ARG A1832 69.063 45.592 -15.607 1.00 31.05 N ATOM 330 NH2 ARG A1832 67.000 46.580 -15.426 1.00 31.86 N ATOM 331 HE ARG A1832 66.398 45.158 -17.380 1.00 0.00 H ATOM 332 HH12 ARG A1832 69.398 46.147 -14.794 1.00 0.00 H ATOM 333 HH11 ARG A1832 69.705 44.925 -16.081 1.00 0.00 H ATOM 334 HH22 ARG A1832 67.339 47.133 -14.613 1.00 0.00 H ATOM 335 HH21 ARG A1832 66.020 46.689 -15.757 1.00 0.00 H ATOM 336 H ARG A1832 64.993 41.063 -15.533 1.00 0.00 H ATOM 337 N ILE A1833 67.692 40.904 -14.036 1.00 27.41 N ATOM 338 CA ILE A1833 68.668 40.924 -12.950 1.00 25.53 C ATOM 339 C ILE A1833 68.872 39.550 -12.308 1.00 24.13 C ATOM 340 O ILE A1833 70.006 39.141 -12.050 1.00 23.12 O ATOM 341 CB ILE A1833 68.254 41.935 -11.860 1.00 25.18 C ATOM 342 CG1 ILE A1833 68.202 43.347 -12.446 1.00 25.10 C ATOM 343 CG2 ILE A1833 69.217 41.891 -10.684 1.00 24.35 C ATOM 344 CD1 ILE A1833 67.815 44.413 -11.445 1.00 24.80 C ATOM 345 H ILE A1833 66.706 41.170 -13.838 1.00 0.00 H ATOM 346 N ILE A1834 67.778 38.838 -12.056 1.00 24.38 N ATOM 347 CA ILE A1834 67.853 37.536 -11.396 1.00 24.94 C ATOM 348 C ILE A1834 67.863 36.385 -12.400 1.00 27.13 C ATOM 349 O ILE A1834 66.883 36.157 -13.108 1.00 28.01 O ATOM 350 CB ILE A1834 66.683 37.335 -10.415 1.00 23.95 C ATOM 351 CG1 ILE A1834 66.674 38.456 -9.373 1.00 23.92 C ATOM 352 CG2 ILE A1834 66.784 35.972 -9.741 1.00 22.82 C ATOM 353 CD1 ILE A1834 67.941 38.528 -8.541 1.00 21.95 C ATOM 354 H ILE A1834 66.850 39.215 -12.334 1.00 0.00 H ATOM 355 N LYS A1835 68.974 35.657 -12.450 1.00 28.17 N ATOM 356 CA LYS A1835 69.144 34.576 -13.416 1.00 29.32 C ATOM 357 C LYS A1835 68.502 33.271 -12.957 1.00 29.68 C ATOM 358 O LYS A1835 67.930 32.538 -13.759 1.00 30.57 O ATOM 359 CB LYS A1835 70.631 34.353 -13.696 1.00 29.76 C ATOM 360 CG LYS A1835 71.308 35.546 -14.332 1.00 30.60 C ATOM 361 CD LYS A1835 70.709 35.847 -15.694 1.00 31.84 C ATOM 362 CE LYS A1835 70.707 37.341 -15.972 1.00 32.20 C ATOM 363 NZ LYS A1835 71.630 38.075 -15.062 1.00 31.71 N ATOM 364 HZ1 LYS A1835 71.334 37.926 -14.076 1.00 0.00 H ATOM 365 HZ2 LYS A1835 72.599 37.720 -15.192 1.00 0.00 H ATOM 366 HZ3 LYS A1835 71.599 39.090 -15.284 1.00 0.00 H ATOM 367 H LYS A1835 69.744 35.863 -11.782 1.00 0.00 H ATOM 368 N ASN A1836 68.600 32.986 -11.664 1.00 29.37 N ATOM 369 CA ASN A1836 68.051 31.753 -11.114 1.00 29.04 C ATOM 370 C ASN A1836 67.056 32.018 -9.992 1.00 29.14 C ATOM 371 O ASN A1836 67.403 31.921 -8.815 1.00 29.62 O ATOM 372 CB ASN A1836 69.180 30.853 -10.610 1.00 28.19 C ATOM 373 CG ASN A1836 70.224 30.576 -11.676 1.00 28.20 C ATOM 374 OD1 ASN A1836 71.368 31.019 -11.569 1.00 27.88 O ATOM 375 ND2 ASN A1836 69.833 29.840 -12.711 1.00 28.66 N ATOM 376 HD22 ASN A1836 68.856 29.487 -12.759 1.00 0.00 H ATOM 377 HD21 ASN A1836 70.504 29.617 -13.473 1.00 0.00 H ATOM 378 H ASN A1836 69.079 33.657 -11.030 1.00 0.00 H ATOM 379 N PRO A1837 65.810 32.357 -10.358 1.00 28.67 N ATOM 380 CA PRO A1837 64.762 32.656 -9.377 1.00 28.46 C ATOM 381 C PRO A1837 64.405 31.443 -8.528 1.00 28.36 C ATOM 382 O PRO A1837 64.395 30.317 -9.030 1.00 28.96 O ATOM 383 CB PRO A1837 63.575 33.082 -10.247 1.00 28.89 C ATOM 384 CG PRO A1837 63.823 32.436 -11.558 1.00 28.98 C ATOM 385 CD PRO A1837 65.309 32.454 -11.739 1.00 28.83 C ATOM 386 N MET A1838 64.118 31.676 -7.252 1.00 27.32 N ATOM 387 CA MET A1838 63.784 30.596 -6.335 1.00 26.25 C ATOM 388 C MET A1838 62.916 31.102 -5.190 1.00 25.69 C ATOM 389 O MET A1838 63.152 32.182 -4.650 1.00 25.84 O ATOM 390 CB MET A1838 65.057 29.945 -5.789 1.00 25.46 C ATOM 391 CG MET A1838 64.812 28.755 -4.871 1.00 25.31 C ATOM 392 SD MET A1838 63.873 27.438 -5.667 1.00 33.87 S ATOM 393 CE MET A1838 64.946 27.038 -7.045 1.00 29.61 C ATOM 394 H MET A1838 64.132 32.654 -6.899 1.00 0.00 H ATOM 395 N ASP A1839 61.906 30.318 -4.832 1.00 25.54 N ATOM 396 CA ASP A1839 61.030 30.654 -3.719 1.00 25.61 C ATOM 397 C ASP A1839 60.709 29.400 -2.914 1.00 25.66 C ATOM 398 O ASP A1839 61.161 28.306 -3.252 1.00 24.62 O ATOM 399 CB ASP A1839 59.746 31.310 -4.220 1.00 26.35 C ATOM 400 CG ASP A1839 58.898 30.365 -5.037 1.00 27.72 C ATOM 401 OD1 ASP A1839 59.300 30.038 -6.173 1.00 28.26 O ATOM 402 OD2 ASP A1839 57.830 29.952 -4.543 1.00 28.67 O ATOM 403 H ASP A1839 61.736 29.439 -5.362 1.00 0.00 H ATOM 404 N PHE A1840 59.919 29.561 -1.858 1.00 18.15 N ATOM 405 CA PHE A1840 59.632 28.460 -0.944 1.00 18.93 C ATOM 406 C PHE A1840 58.712 27.409 -1.561 1.00 20.56 C ATOM 407 O PHE A1840 58.876 26.215 -1.307 1.00 20.74 O ATOM 408 CB PHE A1840 59.021 28.994 0.353 1.00 17.87 C ATOM 409 CG PHE A1840 59.966 29.832 1.166 1.00 16.35 C ATOM 410 CD1 PHE A1840 61.335 29.737 0.978 1.00 15.22 C ATOM 411 CD2 PHE A1840 59.486 30.715 2.120 1.00 15.51 C ATOM 412 CE1 PHE A1840 62.209 30.506 1.723 1.00 14.41 C ATOM 413 CE2 PHE A1840 60.355 31.488 2.869 1.00 14.57 C ATOM 414 CZ PHE A1840 61.719 31.383 2.670 1.00 14.13 C ATOM 415 H PHE A1840 59.495 30.494 -1.678 1.00 0.00 H ATOM 416 N SER A1841 57.751 27.850 -2.369 1.00 21.60 N ATOM 417 CA SER A1841 56.813 26.926 -3.001 1.00 22.25 C ATOM 418 C SER A1841 57.524 26.041 -4.018 1.00 22.89 C ATOM 419 O SER A1841 57.208 24.859 -4.152 1.00 23.23 O ATOM 420 CB SER A1841 55.669 27.683 -3.676 1.00 22.55 C ATOM 421 OG SER A1841 56.144 28.503 -4.729 1.00 23.51 O ATOM 422 HG SER A1841 56.788 29.162 -4.368 1.00 0.00 H ATOM 423 H SER A1841 57.666 28.870 -2.554 1.00 0.00 H ATOM 424 N THR A1842 58.488 26.620 -4.728 1.00 23.33 N ATOM 425 CA THR A1842 59.288 25.869 -5.687 1.00 24.64 C ATOM 426 C THR A1842 60.109 24.810 -4.958 1.00 25.62 C ATOM 427 O THR A1842 60.214 23.670 -5.411 1.00 26.52 O ATOM 428 CB THR A1842 60.231 26.788 -6.492 1.00 25.29 C ATOM 429 OG1 THR A1842 59.470 27.811 -7.148 1.00 25.45 O ATOM 430 CG2 THR A1842 61.004 25.985 -7.530 1.00 25.47 C ATOM 431 HG1 THR A1842 58.989 28.348 -6.470 1.00 0.00 H ATOM 432 H THR A1842 58.676 27.634 -4.595 1.00 0.00 H ATOM 433 N MET A1843 60.686 25.194 -3.823 1.00 26.47 N ATOM 434 CA MET A1843 61.418 24.257 -2.979 1.00 28.25 C ATOM 435 C MET A1843 60.472 23.220 -2.384 1.00 29.98 C ATOM 436 O MET A1843 60.830 22.052 -2.237 1.00 29.95 O ATOM 437 CB MET A1843 62.154 24.998 -1.862 1.00 28.43 C ATOM 438 CG MET A1843 63.183 26.005 -2.347 1.00 29.17 C ATOM 439 SD MET A1843 63.823 27.037 -1.013 1.00 26.18 S ATOM 440 CE MET A1843 64.570 25.799 0.045 1.00 15.15 C ATOM 441 H MET A1843 60.613 26.189 -3.530 1.00 0.00 H ATOM 442 N ARG A1844 59.264 23.661 -2.040 1.00 31.96 N ATOM 443 CA ARG A1844 58.248 22.779 -1.474 1.00 34.45 C ATOM 444 C ARG A1844 57.829 21.705 -2.474 1.00 37.94 C ATOM 445 O ARG A1844 57.715 20.531 -2.121 1.00 38.02 O ATOM 446 CB ARG A1844 57.029 23.591 -1.023 1.00 33.96 C ATOM 447 CG ARG A1844 55.791 22.764 -0.698 1.00 33.85 C ATOM 448 CD ARG A1844 56.059 21.738 0.392 1.00 33.60 C ATOM 449 NE ARG A1844 56.437 22.355 1.659 1.00 32.91 N ATOM 450 CZ ARG A1844 56.818 21.671 2.733 1.00 32.37 C ATOM 451 NH1 ARG A1844 56.875 20.347 2.691 1.00 32.57 N ATOM 452 NH2 ARG A1844 57.146 22.310 3.848 1.00 31.78 N ATOM 453 HE ARG A1844 56.406 23.392 1.726 1.00 0.00 H ATOM 454 HH12 ARG A1844 57.173 19.812 3.532 1.00 0.00 H ATOM 455 HH11 ARG A1844 56.621 19.843 1.817 1.00 0.00 H ATOM 456 HH22 ARG A1844 57.444 21.772 4.687 1.00 0.00 H ATOM 457 HH21 ARG A1844 57.105 23.349 3.883 1.00 0.00 H ATOM 458 H ARG A1844 59.037 24.666 -2.179 1.00 0.00 H ATOM 459 N GLU A1845 57.603 22.112 -3.719 1.00 41.01 N ATOM 460 CA GLU A1845 57.208 21.176 -4.766 1.00 43.56 C ATOM 461 C GLU A1845 58.316 20.167 -5.052 1.00 43.51 C ATOM 462 O GLU A1845 58.046 18.990 -5.286 1.00 44.09 O ATOM 463 CB GLU A1845 56.837 21.925 -6.048 1.00 46.06 C ATOM 464 CG GLU A1845 55.581 22.775 -5.936 1.00 48.24 C ATOM 465 CD GLU A1845 55.280 23.539 -7.212 1.00 51.90 C ATOM 466 OE1 GLU A1845 55.964 23.294 -8.229 1.00 54.55 O ATOM 467 OE2 GLU A1845 54.361 24.385 -7.196 1.00 53.03 O ATOM 468 H GLU A1845 57.710 23.120 -3.952 1.00 0.00 H ATOM 469 N ARG A1846 59.561 20.632 -5.026 1.00 43.23 N ATOM 470 CA ARG A1846 60.706 19.765 -5.281 1.00 43.89 C ATOM 471 C ARG A1846 60.921 18.786 -4.129 1.00 43.79 C ATOM 472 O ARG A1846 61.371 17.659 -4.335 1.00 44.02 O ATOM 473 CB ARG A1846 61.970 20.599 -5.514 1.00 43.96 C ATOM 474 CG ARG A1846 63.221 19.775 -5.789 1.00 44.37 C ATOM 475 CD ARG A1846 64.416 20.658 -6.111 1.00 44.01 C ATOM 476 NE ARG A1846 65.658 19.891 -6.172 1.00 43.48 N ATOM 477 CZ ARG A1846 66.854 20.420 -6.412 1.00 42.28 C ATOM 478 NH1 ARG A1846 66.975 21.725 -6.616 1.00 41.31 N ATOM 479 NH2 ARG A1846 67.929 19.644 -6.447 1.00 42.25 N ATOM 480 HE ARG A1846 65.603 18.864 -6.018 1.00 0.00 H ATOM 481 HH12 ARG A1846 67.911 22.137 -6.804 1.00 0.00 H ATOM 482 HH11 ARG A1846 66.134 22.336 -6.588 1.00 0.00 H ATOM 483 HH22 ARG A1846 68.864 20.059 -6.635 1.00 0.00 H ATOM 484 HH21 ARG A1846 67.837 18.621 -6.287 1.00 0.00 H ATOM 485 H ARG A1846 59.723 21.638 -4.819 1.00 0.00 H ATOM 486 N LEU A1847 60.589 19.220 -2.917 1.00 43.66 N ATOM 487 CA LEU A1847 60.771 18.386 -1.735 1.00 44.66 C ATOM 488 C LEU A1847 59.728 17.273 -1.667 1.00 46.34 C ATOM 489 O LEU A1847 60.061 16.116 -1.403 1.00 46.89 O ATOM 490 CB LEU A1847 60.713 19.239 -0.466 1.00 44.38 C ATOM 491 CG LEU A1847 61.014 18.512 0.845 1.00 44.62 C ATOM 492 CD1 LEU A1847 62.396 17.884 0.794 1.00 45.02 C ATOM 493 CD2 LEU A1847 60.895 19.462 2.027 1.00 44.36 C ATOM 494 H LEU A1847 60.191 20.175 -2.810 1.00 0.00 H ATOM 495 N LEU A1848 58.469 17.628 -1.907 1.00 48.95 N ATOM 496 CA LEU A1848 57.376 16.660 -1.881 1.00 53.05 C ATOM 497 C LEU A1848 57.517 15.636 -3.002 1.00 57.88 C ATOM 498 O LEU A1848 57.131 14.476 -2.849 1.00 58.40 O ATOM 499 CB LEU A1848 56.024 17.370 -1.989 1.00 52.70 C ATOM 500 CG LEU A1848 55.594 18.238 -0.804 1.00 52.37 C ATOM 501 CD1 LEU A1848 54.258 18.907 -1.089 1.00 52.39 C ATOM 502 CD2 LEU A1848 55.522 17.413 0.472 1.00 52.50 C ATOM 503 H LEU A1848 58.257 18.624 -2.119 1.00 0.00 H ATOM 504 N ARG A1849 58.073 16.074 -4.128 1.00 61.50 N ATOM 505 CA ARG A1849 58.292 15.202 -5.275 1.00 65.01 C ATOM 506 C ARG A1849 59.530 14.333 -5.050 1.00 65.30 C ATOM 507 O ARG A1849 59.727 13.322 -5.728 1.00 66.48 O ATOM 508 CB ARG A1849 58.439 16.028 -6.556 1.00 68.13 C ATOM 509 CG ARG A1849 58.346 15.220 -7.842 1.00 72.51 C ATOM 510 CD ARG A1849 59.053 15.929 -8.987 1.00 76.68 C ATOM 511 NE ARG A1849 59.820 14.993 -9.802 1.00 79.43 N ATOM 512 CZ ARG A1849 59.579 14.737 -11.083 1.00 81.31 C ATOM 513 NH1 ARG A1849 58.591 15.357 -11.716 1.00 81.73 N ATOM 514 NH2 ARG A1849 60.335 13.865 -11.735 1.00 82.69 N ATOM 515 HE ARG A1849 60.610 14.491 -9.349 1.00 0.00 H ATOM 516 HH12 ARG A1849 58.407 15.153 -12.719 1.00 0.00 H ATOM 517 HH11 ARG A1849 58.001 16.047 -11.209 1.00 0.00 H ATOM 518 HH22 ARG A1849 60.148 13.663 -12.738 1.00 0.00 H ATOM 519 HH21 ARG A1849 61.115 13.383 -11.244 1.00 0.00 H ATOM 520 H ARG A1849 58.361 17.071 -4.192 1.00 0.00 H ATOM 521 N GLY A1850 60.357 14.731 -4.086 1.00 64.25 N ATOM 522 CA GLY A1850 61.548 13.979 -3.731 1.00 64.04 C ATOM 523 C GLY A1850 62.773 14.394 -4.521 1.00 63.94 C ATOM 524 O GLY A1850 63.769 13.672 -4.562 1.00 65.14 O ATOM 525 H GLY A1850 60.144 15.609 -3.570 1.00 0.00 H ATOM 526 N GLY A1851 62.706 15.570 -5.139 1.00 63.17 N ATOM 527 CA GLY A1851 63.759 16.038 -6.023 1.00 62.95 C ATOM 528 C GLY A1851 65.009 16.564 -5.339 1.00 62.38 C ATOM 529 O GLY A1851 65.839 17.214 -5.974 1.00 63.42 O ATOM 530 H GLY A1851 61.873 16.173 -4.984 1.00 0.00 H ATOM 531 N TYR A1852 65.150 16.287 -4.047 1.00 60.65 N ATOM 532 CA TYR A1852 66.339 16.700 -3.310 1.00 59.28 C ATOM 533 C TYR A1852 67.192 15.499 -2.914 1.00 59.92 C ATOM 534 O TYR A1852 66.786 14.675 -2.095 1.00 60.13 O ATOM 535 CB TYR A1852 65.954 17.506 -2.067 1.00 57.35 C ATOM 536 CG TYR A1852 65.638 18.957 -2.354 1.00 55.33 C ATOM 537 CD1 TYR A1852 66.619 19.819 -2.827 1.00 54.59 C ATOM 538 CD2 TYR A1852 64.364 19.469 -2.142 1.00 54.08 C ATOM 539 CE1 TYR A1852 66.341 21.146 -3.090 1.00 53.52 C ATOM 540 CE2 TYR A1852 64.076 20.798 -2.401 1.00 53.07 C ATOM 541 CZ TYR A1852 65.069 21.631 -2.874 1.00 52.59 C ATOM 542 OH TYR A1852 64.789 22.953 -3.134 1.00 51.63 O ATOM 543 HH TYR A1852 65.606 23.404 -3.464 1.00 0.00 H ATOM 544 H TYR A1852 64.398 15.766 -3.552 1.00 0.00 H ATOM 545 N THR A1853 68.378 15.408 -3.510 1.00 61.57 N ATOM 546 CA THR A1853 69.306 14.320 -3.226 1.00 63.77 C ATOM 547 C THR A1853 69.857 14.417 -1.808 1.00 65.41 C ATOM 548 O THR A1853 69.884 13.430 -1.073 1.00 66.76 O ATOM 549 CB THR A1853 70.482 14.312 -4.223 1.00 64.60 C ATOM 550 OG1 THR A1853 69.987 14.085 -5.548 1.00 65.41 O ATOM 551 CG2 THR A1853 71.481 13.221 -3.867 1.00 65.21 C ATOM 552 HG1 THR A1853 70.744 14.080 -6.186 1.00 0.00 H ATOM 553 H THR A1853 68.652 16.136 -4.200 1.00 0.00 H ATOM 554 N SER A1854 70.289 15.614 -1.429 1.00 65.56 N ATOM 555 CA SER A1854 70.881 15.832 -0.115 1.00 65.37 C ATOM 556 C SER A1854 70.388 17.130 0.516 1.00 65.43 C ATOM 557 O SER A1854 69.710 17.929 -0.130 1.00 65.15 O ATOM 558 CB SER A1854 72.407 15.845 -0.219 1.00 64.93 C ATOM 559 OG SER A1854 72.846 16.839 -1.128 1.00 64.31 O ATOM 560 HG SER A1854 73.835 16.826 -1.177 1.00 0.00 H ATOM 561 H SER A1854 70.203 16.416 -2.086 1.00 0.00 H ATOM 562 N SER A1855 70.735 17.333 1.784 1.00 65.76 N ATOM 563 CA SER A1855 70.349 18.543 2.500 1.00 65.31 C ATOM 564 C SER A1855 71.106 19.756 1.969 1.00 65.85 C ATOM 565 O SER A1855 70.651 20.893 2.103 1.00 66.24 O ATOM 566 CB SER A1855 70.600 18.385 4.001 1.00 64.57 C ATOM 567 OG SER A1855 71.986 18.291 4.279 1.00 64.58 O ATOM 568 HG SER A1855 72.120 18.190 5.255 1.00 0.00 H ATOM 569 H SER A1855 71.296 16.610 2.277 1.00 0.00 H ATOM 570 N GLU A1856 72.265 19.504 1.368 1.00 65.61 N ATOM 571 CA GLU A1856 73.083 20.565 0.791 1.00 65.12 C ATOM 572 C GLU A1856 72.385 21.213 -0.400 1.00 63.14 C ATOM 573 O GLU A1856 72.417 22.433 -0.558 1.00 64.72 O ATOM 574 CB GLU A1856 74.451 20.021 0.368 1.00 68.56 C ATOM 575 CG GLU A1856 75.383 19.667 1.522 1.00 71.76 C ATOM 576 CD GLU A1856 75.058 18.330 2.167 1.00 74.47 C ATOM 577 OE1 GLU A1856 74.045 17.708 1.786 1.00 73.31 O ATOM 578 OE2 GLU A1856 75.822 17.899 3.056 1.00 74.16 O ATOM 579 H GLU A1856 72.598 18.521 1.307 1.00 0.00 H ATOM 580 N GLU A1857 71.762 20.387 -1.236 1.00 60.02 N ATOM 581 CA GLU A1857 71.002 20.880 -2.380 1.00 57.79 C ATOM 582 C GLU A1857 69.829 21.733 -1.912 1.00 53.30 C ATOM 583 O GLU A1857 69.472 22.725 -2.549 1.00 53.65 O ATOM 584 CB GLU A1857 70.496 19.720 -3.242 1.00 59.75 C ATOM 585 CG GLU A1857 71.592 18.917 -3.924 1.00 61.62 C ATOM 586 CD GLU A1857 71.037 17.853 -4.852 1.00 62.63 C ATOM 587 OE1 GLU A1857 71.838 17.153 -5.508 1.00 63.89 O ATOM 588 OE2 GLU A1857 69.798 17.717 -4.926 1.00 62.24 O ATOM 589 H GLU A1857 71.818 19.362 -1.070 1.00 0.00 H ATOM 590 N PHE A1858 69.234 21.332 -0.792 1.00 48.17 N ATOM 591 CA PHE A1858 68.138 22.078 -0.188 1.00 42.53 C ATOM 592 C PHE A1858 68.628 23.426 0.322 1.00 39.80 C ATOM 593 O PHE A1858 68.003 24.460 0.079 1.00 38.94 O ATOM 594 CB PHE A1858 67.508 21.276 0.953 1.00 40.20 C ATOM 595 CG PHE A1858 66.437 22.019 1.699 1.00 38.12 C ATOM 596 CD1 PHE A1858 66.731 22.694 2.872 1.00 37.15 C ATOM 597 CD2 PHE A1858 65.135 22.040 1.228 1.00 37.49 C ATOM 598 CE1 PHE A1858 65.750 23.378 3.559 1.00 36.40 C ATOM 599 CE2 PHE A1858 64.148 22.721 1.913 1.00 36.99 C ATOM 600 CZ PHE A1858 64.456 23.391 3.080 1.00 36.36 C ATOM 601 H PHE A1858 69.562 20.458 -0.333 1.00 0.00 H ATOM 602 N ALA A1859 69.752 23.403 1.031 1.00 38.12 N ATOM 603 CA ALA A1859 70.346 24.615 1.582 1.00 36.08 C ATOM 604 C ALA A1859 70.773 25.566 0.472 1.00 34.64 C ATOM 605 O ALA A1859 70.752 26.784 0.645 1.00 34.35 O ATOM 606 CB ALA A1859 71.530 24.268 2.467 1.00 36.53 C ATOM 607 H ALA A1859 70.223 22.491 1.198 1.00 0.00 H ATOM 608 N ALA A1860 71.160 25.001 -0.668 1.00 33.91 N ATOM 609 CA ALA A1860 71.575 25.795 -1.817 1.00 33.21 C ATOM 610 C ALA A1860 70.427 26.658 -2.332 1.00 31.66 C ATOM 611 O ALA A1860 70.597 27.856 -2.561 1.00 31.19 O ATOM 612 CB ALA A1860 72.101 24.893 -2.923 1.00 34.02 C ATOM 613 H ALA A1860 71.167 23.964 -0.741 1.00 0.00 H ATOM 614 N ASP A1861 69.260 26.045 -2.509 1.00 31.01 N ATOM 615 CA ASP A1861 68.079 26.763 -2.978 1.00 29.90 C ATOM 616 C ASP A1861 67.593 27.779 -1.951 1.00 28.10 C ATOM 617 O ASP A1861 67.061 28.829 -2.310 1.00 27.69 O ATOM 618 CB ASP A1861 66.949 25.788 -3.316 1.00 29.90 C ATOM 619 CG ASP A1861 67.092 25.186 -4.699 1.00 30.93 C ATOM 620 OD1 ASP A1861 67.864 25.738 -5.513 1.00 31.32 O ATOM 621 OD2 ASP A1861 66.427 24.165 -4.977 1.00 31.39 O ATOM 622 H ASP A1861 69.187 25.027 -2.308 1.00 0.00 H ATOM 623 N ALA A1862 67.772 27.459 -0.674 1.00 26.86 N ATOM 624 CA ALA A1862 67.366 28.356 0.400 1.00 25.57 C ATOM 625 C ALA A1862 68.198 29.633 0.376 1.00 25.20 C ATOM 626 O ALA A1862 67.658 30.738 0.426 1.00 24.52 O ATOM 627 CB ALA A1862 67.490 27.664 1.745 1.00 24.99 C ATOM 628 H ALA A1862 68.212 26.547 -0.436 1.00 0.00 H ATOM 629 N LEU A1863 69.515 29.473 0.293 1.00 25.57 N ATOM 630 CA LEU A1863 70.424 30.611 0.215 1.00 25.03 C ATOM 631 C LEU A1863 70.233 31.374 -1.093 1.00 24.34 C ATOM 632 O LEU A1863 70.476 32.580 -1.162 1.00 24.37 O ATOM 633 CB LEU A1863 71.876 30.149 0.351 1.00 25.52 C ATOM 634 CG LEU A1863 72.263 29.498 1.681 1.00 25.45 C ATOM 635 CD1 LEU A1863 73.678 28.938 1.618 1.00 25.74 C ATOM 636 CD2 LEU A1863 72.124 30.486 2.830 1.00 24.94 C ATOM 637 H LEU A1863 69.908 28.510 0.283 1.00 0.00 H ATOM 638 N LEU A1864 69.791 30.663 -2.127 1.00 23.57 N ATOM 639 CA LEU A1864 69.518 31.273 -3.423 1.00 22.78 C ATOM 640 C LEU A1864 68.374 32.279 -3.327 1.00 22.29 C ATOM 641 O LEU A1864 68.402 33.327 -3.973 1.00 22.17 O ATOM 642 CB LEU A1864 69.192 30.196 -4.460 1.00 21.92 C ATOM 643 CG LEU A1864 68.787 30.661 -5.860 1.00 21.28 C ATOM 644 CD1 LEU A1864 69.832 31.596 -6.444 1.00 21.47 C ATOM 645 CD2 LEU A1864 68.568 29.464 -6.772 1.00 21.16 C ATOM 646 H LEU A1864 69.636 29.642 -2.007 1.00 0.00 H ATOM 647 N VAL A1865 67.372 31.950 -2.517 1.00 21.57 N ATOM 648 CA VAL A1865 66.242 32.842 -2.277 1.00 20.48 C ATOM 649 C VAL A1865 66.713 34.173 -1.701 1.00 21.02 C ATOM 650 O VAL A1865 66.280 35.243 -2.133 1.00 21.89 O ATOM 651 CB VAL A1865 65.219 32.206 -1.309 1.00 18.67 C ATOM 652 CG1 VAL A1865 64.171 33.224 -0.884 1.00 17.98 C ATOM 653 CG2 VAL A1865 64.566 30.991 -1.944 1.00 18.05 C ATOM 654 H VAL A1865 67.394 31.027 -2.039 1.00 0.00 H ATOM 655 N PHE A1866 67.618 34.091 -0.732 1.00 20.55 N ATOM 656 CA PHE A1866 68.082 35.262 -0.001 1.00 20.57 C ATOM 657 C PHE A1866 69.183 36.007 -0.750 1.00 22.34 C ATOM 658 O PHE A1866 69.364 37.211 -0.564 1.00 22.24 O ATOM 659 CB PHE A1866 68.565 34.841 1.387 1.00 18.92 C ATOM 660 CG PHE A1866 67.561 34.022 2.146 1.00 17.14 C ATOM 661 CD1 PHE A1866 66.228 34.393 2.169 1.00 16.43 C ATOM 662 CD2 PHE A1866 67.942 32.869 2.811 1.00 16.33 C ATOM 663 CE1 PHE A1866 65.297 33.641 2.854 1.00 15.61 C ATOM 664 CE2 PHE A1866 67.014 32.111 3.500 1.00 15.46 C ATOM 665 CZ PHE A1866 65.689 32.500 3.521 1.00 15.25 C ATOM 666 H PHE A1866 68.008 33.159 -0.487 1.00 0.00 H ATOM 667 N ASP A1867 69.917 35.290 -1.596 1.00 23.58 N ATOM 668 CA ASP A1867 70.907 35.922 -2.460 1.00 24.09 C ATOM 669 C ASP A1867 70.201 36.731 -3.539 1.00 23.83 C ATOM 670 O ASP A1867 70.607 37.849 -3.858 1.00 24.64 O ATOM 671 CB ASP A1867 71.832 34.880 -3.093 1.00 24.83 C ATOM 672 CG ASP A1867 72.823 34.300 -2.102 1.00 25.03 C ATOM 673 OD1 ASP A1867 73.079 34.949 -1.065 1.00 24.90 O ATOM 674 OD2 ASP A1867 73.349 33.197 -2.364 1.00 25.30 O ATOM 675 H ASP A1867 69.782 34.260 -1.642 1.00 0.00 H ATOM 676 N ASN A1868 69.138 36.157 -4.096 1.00 22.61 N ATOM 677 CA ASN A1868 68.324 36.850 -5.087 1.00 21.54 C ATOM 678 C ASN A1868 67.656 38.083 -4.496 1.00 20.21 C ATOM 679 O ASN A1868 67.536 39.116 -5.158 1.00 19.81 O ATOM 680 CB ASN A1868 67.262 35.912 -5.667 1.00 21.13 C ATOM 681 CG ASN A1868 67.849 34.863 -6.592 1.00 21.29 C ATOM 682 OD1 ASN A1868 68.987 34.986 -7.045 1.00 22.05 O ATOM 683 ND2 ASN A1868 67.070 33.828 -6.884 1.00 20.76 N ATOM 684 HD22 ASN A1868 66.115 33.765 -6.478 1.00 0.00 H ATOM 685 HD21 ASN A1868 67.415 33.080 -7.519 1.00 0.00 H ATOM 686 H ASN A1868 68.881 35.189 -3.817 1.00 0.00 H ATOM 687 N CYS A1869 67.222 37.966 -3.244 1.00 19.47 N ATOM 688 CA CYS A1869 66.574 39.070 -2.546 1.00 18.91 C ATOM 689 C CYS A1869 67.538 40.232 -2.354 1.00 19.23 C ATOM 690 O CYS A1869 67.173 41.392 -2.533 1.00 19.60 O ATOM 691 CB CYS A1869 66.038 38.602 -1.194 1.00 18.01 C ATOM 692 SG CYS A1869 65.100 39.851 -0.282 1.00 14.11 S ATOM 693 H CYS A1869 67.349 37.060 -2.748 1.00 0.00 H ATOM 694 N GLN A1870 68.776 39.910 -1.993 1.00 19.07 N ATOM 695 CA GLN A1870 69.791 40.928 -1.754 1.00 19.07 C ATOM 696 C GLN A1870 70.290 41.537 -3.056 1.00 19.20 C ATOM 697 O GLN A1870 70.776 42.664 -3.069 1.00 19.08 O ATOM 698 CB GLN A1870 70.962 40.344 -0.962 1.00 19.06 C ATOM 699 CG GLN A1870 70.610 39.991 0.479 1.00 18.85 C ATOM 700 CD GLN A1870 71.756 39.293 1.192 1.00 19.60 C ATOM 701 OE1 GLN A1870 72.615 39.939 1.793 1.00 20.52 O ATOM 702 NE2 GLN A1870 71.768 37.966 1.136 1.00 19.33 N ATOM 703 HE22 GLN A1870 71.022 37.461 0.617 1.00 0.00 H ATOM 704 HE21 GLN A1870 72.523 37.432 1.611 1.00 0.00 H ATOM 705 H GLN A1870 69.026 38.907 -1.878 1.00 0.00 H ATOM 706 N THR A1871 70.171 40.790 -4.149 1.00 19.68 N ATOM 707 CA THR A1871 70.619 41.268 -5.453 1.00 20.30 C ATOM 708 C THR A1871 69.641 42.279 -6.045 1.00 20.85 C ATOM 709 O THR A1871 70.047 43.298 -6.606 1.00 20.73 O ATOM 710 CB THR A1871 70.801 40.105 -6.449 1.00 20.47 C ATOM 711 OG1 THR A1871 71.717 39.148 -5.905 1.00 20.83 O ATOM 712 CG2 THR A1871 71.340 40.611 -7.780 1.00 20.70 C ATOM 713 HG1 THR A1871 71.359 38.798 -5.051 1.00 0.00 H ATOM 714 H THR A1871 69.749 39.843 -4.073 1.00 0.00 H ATOM 715 N PHE A1872 68.349 41.996 -5.916 1.00 22.02 N ATOM 716 CA PHE A1872 67.335 42.835 -6.537 1.00 24.10 C ATOM 717 C PHE A1872 66.831 43.944 -5.614 1.00 26.83 C ATOM 718 O PHE A1872 66.517 45.041 -6.075 1.00 27.08 O ATOM 719 CB PHE A1872 66.156 41.982 -7.009 1.00 23.19 C ATOM 720 CG PHE A1872 65.159 42.742 -7.834 1.00 22.64 C ATOM 721 CD1 PHE A1872 65.334 42.879 -9.202 1.00 22.60 C ATOM 722 CD2 PHE A1872 64.051 43.328 -7.242 1.00 21.85 C ATOM 723 CE1 PHE A1872 64.421 43.582 -9.964 1.00 22.18 C ATOM 724 CE2 PHE A1872 63.137 44.032 -7.998 1.00 21.74 C ATOM 725 CZ PHE A1872 63.322 44.160 -9.362 1.00 22.08 C ATOM 726 H PHE A1872 68.059 41.164 -5.364 1.00 0.00 H ATOM 727 N ASN A1873 66.734 43.657 -4.320 1.00 20.03 N ATOM 728 CA ASN A1873 66.154 44.612 -3.379 1.00 22.99 C ATOM 729 C ASN A1873 67.171 45.313 -2.481 1.00 26.21 C ATOM 730 O ASN A1873 68.202 44.741 -2.125 1.00 25.68 O ATOM 731 CB ASN A1873 65.085 43.930 -2.521 1.00 22.99 C ATOM 732 CG ASN A1873 63.951 43.358 -3.348 1.00 23.23 C ATOM 733 OD1 ASN A1873 63.096 44.093 -3.842 1.00 23.57 O ATOM 734 ND2 ASN A1873 63.939 42.040 -3.505 1.00 22.99 N ATOM 735 HD22 ASN A1873 64.682 41.458 -3.069 1.00 0.00 H ATOM 736 HD21 ASN A1873 63.186 41.590 -4.064 1.00 0.00 H ATOM 737 H ASN A1873 67.076 42.739 -3.972 1.00 0.00 H ATOM 738 N GLU A1874 66.866 46.555 -2.116 1.00 29.98 N ATOM 739 CA GLU A1874 67.707 47.318 -1.199 1.00 33.19 C ATOM 740 C GLU A1874 67.592 46.756 0.217 1.00 32.58 C ATOM 741 O GLU A1874 66.583 46.144 0.571 1.00 33.37 O ATOM 742 CB GLU A1874 67.321 48.802 -1.213 1.00 37.24 C ATOM 743 CG GLU A1874 67.317 49.456 -2.589 1.00 41.76 C ATOM 744 CD GLU A1874 68.492 50.388 -2.804 1.00 47.95 C ATOM 745 OE1 GLU A1874 69.543 50.190 -2.158 1.00 49.49 O ATOM 746 OE2 GLU A1874 68.361 51.321 -3.625 1.00 51.49 O ATOM 747 H GLU A1874 66.003 46.995 -2.495 1.00 0.00 H ATOM 748 N ASP A1875 68.628 46.965 1.024 1.00 30.66 N ATOM 749 CA ASP A1875 68.643 46.464 2.396 1.00 28.76 C ATOM 750 C ASP A1875 67.608 47.174 3.267 1.00 28.68 C ATOM 751 O ASP A1875 67.184 46.646 4.295 1.00 28.79 O ATOM 752 CB ASP A1875 70.036 46.620 3.010 1.00 26.96 C ATOM 753 CG ASP A1875 71.076 45.764 2.316 1.00 24.86 C ATOM 754 OD1 ASP A1875 70.775 44.593 2.002 1.00 24.08 O ATOM 755 OD2 ASP A1875 72.196 46.264 2.082 1.00 24.33 O ATOM 756 H ASP A1875 69.448 47.498 0.670 1.00 0.00 H ATOM 757 N ASP A1876 67.202 48.369 2.850 1.00 28.63 N ATOM 758 CA ASP A1876 66.233 49.149 3.611 1.00 29.03 C ATOM 759 C ASP A1876 64.839 49.082 2.991 1.00 28.91 C ATOM 760 O ASP A1876 63.908 49.725 3.472 1.00 29.24 O ATOM 761 CB ASP A1876 66.696 50.606 3.732 1.00 29.41 C ATOM 762 CG ASP A1876 66.889 51.276 2.386 1.00 29.55 C ATOM 763 OD1 ASP A1876 66.906 50.570 1.358 1.00 29.85 O ATOM 764 OD2 ASP A1876 67.037 52.516 2.359 1.00 29.64 O ATOM 765 H ASP A1876 67.583 48.756 1.963 1.00 0.00 H ATOM 766 N SER A1877 64.701 48.299 1.925 1.00 28.71 N ATOM 767 CA SER A1877 63.397 48.092 1.301 1.00 28.85 C ATOM 768 C SER A1877 62.560 47.130 2.138 1.00 30.04 C ATOM 769 O SER A1877 63.087 46.443 3.011 1.00 30.40 O ATOM 770 CB SER A1877 63.554 47.556 -0.124 1.00 27.25 C ATOM 771 OG SER A1877 64.141 46.266 -0.124 1.00 26.62 O ATOM 772 HG SER A1877 65.036 46.312 0.297 1.00 0.00 H ATOM 773 H SER A1877 65.537 47.825 1.528 1.00 0.00 H ATOM 774 N GLU A1878 61.257 47.084 1.872 1.00 30.74 N ATOM 775 CA GLU A1878 60.355 46.223 2.633 1.00 31.35 C ATOM 776 C GLU A1878 60.652 44.745 2.398 1.00 30.01 C ATOM 777 O GLU A1878 60.659 43.951 3.339 1.00 30.45 O ATOM 778 CB GLU A1878 58.898 46.533 2.284 1.00 32.95 C ATOM 779 CG GLU A1878 58.416 47.867 2.828 1.00 35.37 C ATOM 780 CD GLU A1878 58.567 47.965 4.336 1.00 37.57 C ATOM 781 OE1 GLU A1878 58.086 47.053 5.043 1.00 38.37 O ATOM 782 OE2 GLU A1878 59.176 48.947 4.812 1.00 38.01 O ATOM 783 H GLU A1878 60.873 47.673 1.106 1.00 0.00 H ATOM 784 N VAL A1879 60.894 44.381 1.143 1.00 28.11 N ATOM 785 CA VAL A1879 61.272 43.013 0.807 1.00 26.26 C ATOM 786 C VAL A1879 62.655 42.702 1.371 1.00 25.51 C ATOM 787 O VAL A1879 62.889 41.621 1.914 1.00 25.16 O ATOM 788 CB VAL A1879 61.265 42.779 -0.718 1.00 24.96 C ATOM 789 CG1 VAL A1879 61.874 41.427 -1.060 1.00 23.89 C ATOM 790 CG2 VAL A1879 59.850 42.886 -1.263 1.00 25.03 C ATOM 791 H VAL A1879 60.812 45.087 0.384 1.00 0.00 H ATOM 792 N GLY A1880 63.562 43.667 1.250 1.00 24.93 N ATOM 793 CA GLY A1880 64.919 43.518 1.743 1.00 24.00 C ATOM 794 C GLY A1880 64.984 43.278 3.239 1.00 24.00 C ATOM 795 O GLY A1880 65.703 42.391 3.702 1.00 24.02 O ATOM 796 H GLY A1880 63.290 44.558 0.787 1.00 0.00 H ATOM 797 N LYS A1881 64.230 44.068 3.998 1.00 23.64 N ATOM 798 CA LYS A1881 64.196 43.928 5.450 1.00 23.42 C ATOM 799 C LYS A1881 63.577 42.596 5.859 1.00 22.53 C ATOM 800 O LYS A1881 64.004 41.977 6.833 1.00 23.21 O ATOM 801 CB LYS A1881 63.425 45.086 6.087 1.00 24.40 C ATOM 802 CG LYS A1881 64.164 46.415 6.048 1.00 25.10 C ATOM 803 CD LYS A1881 63.434 47.488 6.841 1.00 26.01 C ATOM 804 CE LYS A1881 62.070 47.791 6.245 1.00 26.16 C ATOM 805 NZ LYS A1881 61.385 48.890 6.977 1.00 26.88 N ATOM 806 HZ1 LYS A1881 61.256 48.615 7.972 1.00 0.00 H ATOM 807 HZ2 LYS A1881 61.965 49.752 6.927 1.00 0.00 H ATOM 808 HZ3 LYS A1881 60.457 49.069 6.542 1.00 0.00 H ATOM 809 H LYS A1881 63.650 44.804 3.546 1.00 0.00 H ATOM 810 N ALA A1882 62.571 42.158 5.108 1.00 20.80 N ATOM 811 CA ALA A1882 61.948 40.864 5.353 1.00 19.22 C ATOM 812 C ALA A1882 62.911 39.740 4.986 1.00 18.17 C ATOM 813 O ALA A1882 62.940 38.695 5.636 1.00 18.50 O ATOM 814 CB ALA A1882 60.652 40.737 4.569 1.00 18.34 C ATOM 815 H ALA A1882 62.221 42.752 4.329 1.00 0.00 H ATOM 816 N GLY A1883 63.702 39.970 3.942 1.00 16.45 N ATOM 817 CA GLY A1883 64.672 38.995 3.479 1.00 14.95 C ATOM 818 C GLY A1883 65.794 38.760 4.469 1.00 14.83 C ATOM 819 O GLY A1883 66.245 37.629 4.651 1.00 14.92 O ATOM 820 H GLY A1883 63.623 40.878 3.441 1.00 0.00 H ATOM 821 N HIS A1884 66.249 39.833 5.108 1.00 14.87 N ATOM 822 CA HIS A1884 67.309 39.734 6.103 1.00 14.85 C ATOM 823 C HIS A1884 66.834 38.958 7.327 1.00 16.55 C ATOM 824 O HIS A1884 67.609 38.235 7.955 1.00 17.27 O ATOM 825 CB HIS A1884 67.795 41.125 6.513 1.00 14.17 C ATOM 826 CG HIS A1884 68.609 41.813 5.460 1.00 13.49 C ATOM 827 ND1 HIS A1884 69.738 41.253 4.910 1.00 12.87 N ATOM 828 CD2 HIS A1884 68.456 43.022 4.867 1.00 13.41 C ATOM 829 CE1 HIS A1884 70.249 42.084 4.016 1.00 12.47 C ATOM 830 NE2 HIS A1884 69.492 43.162 3.971 1.00 13.07 N ATOM 831 H HIS A1884 65.839 40.764 4.893 1.00 0.00 H ATOM 832 N ILE A1885 65.555 39.108 7.658 1.00 16.71 N ATOM 833 CA ILE A1885 64.962 38.363 8.761 1.00 17.31 C ATOM 834 C ILE A1885 64.922 36.875 8.432 1.00 18.65 C ATOM 835 O ILE A1885 65.312 36.036 9.246 1.00 19.92 O ATOM 836 CB ILE A1885 63.536 38.854 9.083 1.00 15.98 C ATOM 837 CG1 ILE A1885 63.563 40.312 9.546 1.00 15.28 C ATOM 838 CG2 ILE A1885 62.892 37.974 10.145 1.00 15.15 C ATOM 839 CD1 ILE A1885 62.195 40.872 9.885 1.00 13.20 C ATOM 840 H ILE A1885 64.965 39.772 7.118 1.00 0.00 H ATOM 841 N MET A1886 64.457 36.556 7.229 1.00 18.95 N ATOM 842 CA MET A1886 64.341 35.168 6.793 1.00 19.41 C ATOM 843 C MET A1886 65.697 34.502 6.607 1.00 19.75 C ATOM 844 O MET A1886 65.866 33.326 6.931 1.00 20.56 O ATOM 845 CB MET A1886 63.546 35.082 5.490 1.00 18.42 C ATOM 846 CG MET A1886 62.075 35.405 5.644 1.00 18.31 C ATOM 847 SD MET A1886 61.308 34.473 6.982 1.00 26.04 S ATOM 848 CE MET A1886 61.578 32.788 6.436 1.00 39.02 C ATOM 849 H MET A1886 64.168 37.316 6.580 1.00 0.00 H ATOM 850 N ARG A1887 66.656 35.251 6.073 1.00 19.14 N ATOM 851 CA ARG A1887 67.995 34.720 5.850 1.00 18.88 C ATOM 852 C ARG A1887 68.678 34.388 7.171 1.00 20.62 C ATOM 853 O ARG A1887 69.313 33.342 7.306 1.00 21.03 O ATOM 854 CB ARG A1887 68.843 35.711 5.052 1.00 17.90 C ATOM 855 CG ARG A1887 70.266 35.240 4.798 1.00 16.83 C ATOM 856 CD ARG A1887 71.087 36.324 4.121 1.00 15.93 C ATOM 857 NE ARG A1887 70.919 37.614 4.783 1.00 16.35 N ATOM 858 CZ ARG A1887 71.554 37.974 5.894 1.00 17.07 C ATOM 859 NH1 ARG A1887 72.407 37.140 6.475 1.00 17.76 N ATOM 860 NH2 ARG A1887 71.336 39.169 6.427 1.00 16.85 N ATOM 861 HE ARG A1887 70.259 38.296 4.358 1.00 0.00 H ATOM 862 HH12 ARG A1887 72.902 37.425 7.344 1.00 0.00 H ATOM 863 HH11 ARG A1887 72.580 36.202 6.061 1.00 0.00 H ATOM 864 HH22 ARG A1887 71.833 39.449 7.296 1.00 0.00 H ATOM 865 HH21 ARG A1887 70.668 39.826 5.976 1.00 0.00 H ATOM 866 H ARG A1887 66.447 36.235 5.809 1.00 0.00 H ATOM 867 N ARG A1888 68.544 35.283 8.145 1.00 21.67 N ATOM 868 CA ARG A1888 69.120 35.057 9.466 1.00 22.61 C ATOM 869 C ARG A1888 68.415 33.917 10.192 1.00 24.48 C ATOM 870 O ARG A1888 69.039 33.180 10.954 1.00 25.05 O ATOM 871 CB ARG A1888 69.058 36.329 10.310 1.00 21.79 C ATOM 872 CG ARG A1888 70.137 37.347 9.982 1.00 20.14 C ATOM 873 CD ARG A1888 70.139 38.475 10.996 1.00 18.88 C ATOM 874 NE ARG A1888 68.902 39.247 10.953 1.00 17.38 N ATOM 875 CZ ARG A1888 68.764 40.395 10.299 1.00 16.16 C ATOM 876 NH1 ARG A1888 69.791 40.912 9.637 1.00 16.36 N ATOM 877 NH2 ARG A1888 67.601 41.032 10.309 1.00 15.44 N ATOM 878 HE ARG A1888 68.077 38.876 11.466 1.00 0.00 H ATOM 879 HH12 ARG A1888 69.681 41.811 9.126 1.00 0.00 H ATOM 880 HH11 ARG A1888 70.706 40.418 9.629 1.00 0.00 H ATOM 881 HH22 ARG A1888 67.496 41.931 9.796 1.00 0.00 H ATOM 882 HH21 ARG A1888 66.794 40.633 10.830 1.00 0.00 H ATOM 883 H ARG A1888 68.018 36.161 7.962 1.00 0.00 H ATOM 884 N PHE A1889 67.115 33.780 9.955 1.00 26.14 N ATOM 885 CA PHE A1889 66.343 32.701 10.560 1.00 28.87 C ATOM 886 C PHE A1889 66.801 31.344 10.043 1.00 30.65 C ATOM 887 O PHE A1889 66.990 30.408 10.820 1.00 31.58 O ATOM 888 CB PHE A1889 64.849 32.884 10.290 1.00 29.49 C ATOM 889 CG PHE A1889 64.009 31.709 10.710 1.00 30.49 C ATOM 890 CD1 PHE A1889 63.652 31.536 12.037 1.00 31.61 C ATOM 891 CD2 PHE A1889 63.577 30.778 9.778 1.00 30.27 C ATOM 892 CE1 PHE A1889 62.882 30.456 12.427 1.00 32.31 C ATOM 893 CE2 PHE A1889 62.808 29.696 10.162 1.00 30.77 C ATOM 894 CZ PHE A1889 62.459 29.536 11.488 1.00 31.86 C ATOM 895 H PHE A1889 66.638 34.456 9.325 1.00 0.00 H ATOM 896 N PHE A1890 66.971 31.243 8.728 1.00 31.41 N ATOM 897 CA PHE A1890 67.397 29.995 8.110 1.00 32.58 C ATOM 898 C PHE A1890 68.786 29.586 8.585 1.00 35.11 C ATOM 899 O PHE A1890 68.979 28.463 9.046 1.00 35.32 O ATOM 900 CB PHE A1890 67.387 30.106 6.584 1.00 31.41 C ATOM 901 CG PHE A1890 68.066 28.957 5.894 1.00 31.06 C ATOM 902 CD1 PHE A1890 67.428 27.737 5.767 1.00 31.26 C ATOM 903 CD2 PHE A1890 69.347 29.095 5.383 1.00 30.91 C ATOM 904 CE1 PHE A1890 68.050 26.674 5.142 1.00 31.15 C ATOM 905 CE2 PHE A1890 69.976 28.036 4.756 1.00 30.71 C ATOM 906 CZ PHE A1890 69.326 26.824 4.636 1.00 30.78 C ATOM 907 H PHE A1890 66.796 32.074 8.127 1.00 0.00 H ATOM 908 N GLU A1891 69.744 30.502 8.466 1.00 37.50 N ATOM 909 CA GLU A1891 71.126 30.236 8.857 1.00 40.29 C ATOM 910 C GLU A1891 71.228 29.802 10.315 1.00 43.49 C ATOM 911 O GLU A1891 72.027 28.931 10.659 1.00 44.38 O ATOM 912 CB GLU A1891 71.999 31.471 8.622 1.00 40.55 C ATOM 913 CG GLU A1891 72.222 31.813 7.158 1.00 40.20 C ATOM 914 CD GLU A1891 73.195 32.963 6.972 1.00 40.27 C ATOM 915 OE1 GLU A1891 73.817 33.384 7.970 1.00 40.64 O ATOM 916 OE2 GLU A1891 73.336 33.445 5.829 1.00 39.92 O ATOM 917 H GLU A1891 69.501 31.438 8.082 1.00 0.00 H ATOM 918 N SER A1892 70.409 30.409 11.166 1.00 45.43 N ATOM 919 CA SER A1892 70.393 30.074 12.584 1.00 47.17 C ATOM 920 C SER A1892 69.889 28.654 12.814 1.00 48.97 C ATOM 921 O SER A1892 70.567 27.842 13.443 1.00 49.84 O ATOM 922 CB SER A1892 69.528 31.069 13.359 1.00 47.10 C ATOM 923 OG SER A1892 69.453 30.718 14.729 1.00 48.03 O ATOM 924 HG SER A1892 68.889 31.376 15.207 1.00 0.00 H ATOM 925 H SER A1892 69.762 31.142 10.811 1.00 0.00 H ATOM 926 N ARG A1893 68.697 28.361 12.301 1.00 49.79 N ATOM 927 CA ARG A1893 68.085 27.047 12.475 1.00 50.88 C ATOM 928 C ARG A1893 68.880 25.947 11.777 1.00 51.87 C ATOM 929 O ARG A1893 68.957 24.824 12.272 1.00 53.51 O ATOM 930 CB ARG A1893 66.643 27.058 11.960 1.00 50.55 C ATOM 931 CG ARG A1893 65.660 27.761 12.883 1.00 50.96 C ATOM 932 CD ARG A1893 65.372 26.939 14.133 1.00 51.05 C ATOM 933 NE ARG A1893 64.465 25.824 13.867 1.00 50.05 N ATOM 934 CZ ARG A1893 64.729 24.554 14.161 1.00 49.53 C ATOM 935 NH1 ARG A1893 65.877 24.227 14.738 1.00 49.86 N ATOM 936 NH2 ARG A1893 63.842 23.609 13.883 1.00 49.08 N ATOM 937 HE ARG A1893 63.552 26.038 13.418 1.00 0.00 H ATOM 938 HH12 ARG A1893 66.080 23.233 14.966 1.00 0.00 H ATOM 939 HH11 ARG A1893 66.575 24.965 14.962 1.00 0.00 H ATOM 940 HH22 ARG A1893 64.050 22.616 14.114 1.00 0.00 H ATOM 941 HH21 ARG A1893 62.938 23.860 13.434 1.00 0.00 H ATOM 942 H ARG A1893 68.187 29.089 11.761 1.00 0.00 H ATOM 943 N TRP A1894 69.472 26.274 10.633 1.00 52.81 N ATOM 944 CA TRP A1894 70.243 25.299 9.869 1.00 55.43 C ATOM 945 C TRP A1894 71.496 24.861 10.622 1.00 59.61 C ATOM 946 O TRP A1894 71.890 23.696 10.562 1.00 59.78 O ATOM 947 CB TRP A1894 70.630 25.869 8.502 1.00 54.24 C ATOM 948 CG TRP A1894 71.282 24.866 7.605 1.00 53.21 C ATOM 949 CD1 TRP A1894 72.620 24.709 7.385 1.00 53.66 C ATOM 950 CD2 TRP A1894 70.625 23.872 6.812 1.00 51.24 C ATOM 951 NE1 TRP A1894 72.835 23.680 6.500 1.00 52.73 N ATOM 952 CE2 TRP A1894 71.627 23.150 6.134 1.00 50.96 C ATOM 953 CE3 TRP A1894 69.287 23.523 6.609 1.00 49.36 C ATOM 954 CZ2 TRP A1894 71.332 22.099 5.267 1.00 48.82 C ATOM 955 CZ3 TRP A1894 68.996 22.481 5.748 1.00 47.91 C ATOM 956 CH2 TRP A1894 70.014 21.782 5.087 1.00 47.65 C ATOM 957 HE1 TRP A1894 73.764 23.356 6.163 1.00 0.00 H ATOM 958 H TRP A1894 69.384 27.246 10.274 1.00 0.00 H ATOM 959 N GLU A1895 72.114 25.800 11.330 1.00 63.57 N ATOM 960 CA GLU A1895 73.340 25.518 12.068 1.00 67.49 C ATOM 961 C GLU A1895 73.046 24.872 13.418 1.00 71.23 C ATOM 962 O GLU A1895 73.937 24.300 14.044 1.00 71.19 O ATOM 963 CB GLU A1895 74.157 26.799 12.251 1.00 68.07 C ATOM 964 CG GLU A1895 74.808 27.290 10.964 1.00 67.88 C ATOM 965 CD GLU A1895 75.183 28.759 11.016 1.00 68.02 C ATOM 966 OE1 GLU A1895 75.121 29.350 12.114 1.00 68.52 O ATOM 967 OE2 GLU A1895 75.529 29.323 9.955 1.00 67.42 O ATOM 968 H GLU A1895 71.714 26.760 11.359 1.00 0.00 H ATOM 969 N GLU A1896 71.793 24.961 13.857 1.00 74.93 N ATOM 970 CA GLU A1896 71.357 24.282 15.074 1.00 78.88 C ATOM 971 C GLU A1896 71.464 22.772 14.897 1.00 80.42 C ATOM 972 O GLU A1896 72.068 22.075 15.715 1.00 83.22 O ATOM 973 CB GLU A1896 69.917 24.662 15.432 1.00 80.82 C ATOM 974 CG GLU A1896 69.736 26.069 15.968 1.00 82.26 C ATOM 975 CD GLU A1896 68.296 26.360 16.333 1.00 82.72 C ATOM 976 OE1 GLU A1896 67.480 25.415 16.341 1.00 82.93 O ATOM 977 OE2 GLU A1896 67.980 27.535 16.611 1.00 82.63 O ATOM 978 H GLU A1896 71.107 25.529 13.320 1.00 0.00 H ATOM 979 N PHE A1897 70.872 22.277 13.815 1.00 80.11 N ATOM 980 CA PHE A1897 70.869 20.853 13.517 1.00 81.81 C ATOM 981 C PHE A1897 72.276 20.371 13.175 1.00 81.45 C ATOM 982 O PHE A1897 72.816 19.490 13.841 1.00 82.06 O ATOM 983 CB PHE A1897 69.905 20.557 12.367 1.00 83.35 C ATOM 984 CG PHE A1897 69.382 19.148 12.354 1.00 85.12 C ATOM 985 CD1 PHE A1897 68.609 18.670 13.400 1.00 85.97 C ATOM 986 CD2 PHE A1897 69.645 18.307 11.285 1.00 85.28 C ATOM 987 CE1 PHE A1897 68.122 17.376 13.388 1.00 86.14 C ATOM 988 CE2 PHE A1897 69.161 17.012 11.267 1.00 85.55 C ATOM 989 CZ PHE A1897 68.398 16.546 12.320 1.00 85.91 C ATOM 990 H PHE A1897 70.395 22.929 13.160 1.00 0.00 H ATOM 991 N TYR A1898 72.872 20.961 12.144 1.00 80.34 N ATOM 992 CA TYR A1898 74.209 20.565 11.717 1.00 79.63 C ATOM 993 C TYR A1898 75.277 21.447 12.357 1.00 80.54 C ATOM 994 O TYR A1898 75.899 22.272 11.690 1.00 80.63 O ATOM 995 CB TYR A1898 74.321 20.618 10.192 1.00 77.55 C ATOM 996 CG TYR A1898 73.180 19.934 9.472 1.00 76.32 C ATOM 997 CD1 TYR A1898 73.132 18.551 9.360 1.00 76.29 C ATOM 998 CD2 TYR A1898 72.151 20.672 8.903 1.00 75.92 C ATOM 999 CE1 TYR A1898 72.088 17.921 8.701 1.00 76.59 C ATOM 1000 CE2 TYR A1898 71.104 20.052 8.243 1.00 76.18 C ATOM 1001 CZ TYR A1898 71.078 18.678 8.144 1.00 76.83 C ATOM 1002 OH TYR A1898 70.040 18.058 7.489 1.00 77.36 O ATOM 1003 HH TYR A1898 70.176 17.078 7.510 1.00 0.00 H ATOM 1004 H TYR A1898 72.376 21.719 11.633 1.00 0.00 H TER 1005 TYR A1898 HETATM 1006 O HOH 1 50.455 33.883 -19.913 1.00 42.13 O HETATM 1007 O HOH 2 59.064 35.174 -3.992 1.00 12.02 O HETATM 1008 O HOH 3 64.095 38.112 -5.163 1.00 20.44 O HETATM 1009 O HOH 4 55.140 20.319 7.437 1.00 21.08 O HETATM 1010 O HOH 5 53.917 35.715 -15.024 1.00 31.00 O HETATM 1011 O HOH 6 58.519 27.883 -9.480 1.00 45.50 O HETATM 1012 O HOH 7 71.669 18.048 15.598 1.00 51.38 O HETATM 1013 O HOH 8 54.062 33.291 6.442 1.00 15.44 O HETATM 1014 O HOH 9 60.018 34.265 -10.545 1.00 33.16 O HETATM 1015 O HOH 10 64.253 36.119 -3.467 1.00 21.97 O HETATM 1016 O HOH 11 60.780 30.965 -8.085 1.00 22.10 O HETATM 1017 O HOH 12 62.113 34.585 -4.249 1.00 29.51 O HETATM 1018 O HOH 13 64.828 45.244 -17.814 1.00 25.95 O HETATM 1019 O HOH 14 63.250 34.323 -6.991 1.00 29.32 O HETATM 1020 O HOH 15 69.933 34.489 -9.690 1.00 19.59 O HETATM 1021 O HOH 16 73.007 48.960 1.866 1.00 31.77 O HETATM 1022 O HOH 17 73.467 31.585 12.771 1.00 30.23 O HETATM 1023 O HOH 18 71.668 35.933 -6.726 1.00 23.84 O HETATM 1024 O HOH 19 55.080 35.419 -2.288 1.00 25.20 O HETATM 1025 O HOH 20 60.956 33.926 -7.755 1.00 14.21 O HETATM 1026 O HOH 21 68.452 43.360 0.420 1.00 27.81 O HETATM 1027 O HOH 22 78.343 21.682 13.183 1.00 38.28 O HETATM 1028 O HOH 23 59.681 40.666 -18.104 1.00 29.76 O HETATM 1029 O HOH 24 60.656 44.313 -16.948 1.00 23.66 O HETATM 1030 O HOH 25 60.919 13.781 6.949 1.00 47.18 O HETATM 1031 O HOH 26 68.278 54.121 0.135 1.00 25.34 O HETATM 1032 O HOH 27 57.684 30.304 12.009 1.00 27.63 O HETATM 1033 O HOH 28 64.448 48.017 -3.215 1.00 10.00 O HETATM 1034 O HOH 29 60.879 41.450 -15.322 1.00 27.73 O HETATM 1035 O HOH 30 70.992 47.641 -0.783 1.00 29.11 O HETATM 1036 O HOH 31 51.345 31.016 -0.703 1.00 31.24 O HETATM 1037 O HOH 32 74.398 36.643 2.117 1.00 21.89 O HETATM 1038 O HOH 33 63.529 42.242 -17.083 1.00 13.39 O HETATM 1039 O HOH 34 55.398 39.236 -7.589 1.00 18.05 O HETATM 1040 O HOH 35 68.703 38.644 2.802 1.00 26.70 O HETATM 1041 O HOH 36 72.507 32.504 -9.018 1.00 31.30 O HETATM 1042 O HOH 37 60.071 49.112 -0.282 1.00 11.85 O HETATM 1043 O HOH 38 60.255 46.145 -1.537 1.00 32.57 O HETATM 1044 O HOH 39 73.398 38.629 -2.332 1.00 33.23 O HETATM 1045 O HOH 40 67.725 40.775 1.658 1.00 16.97 O HETATM 1046 O HOH 41 55.812 35.424 15.466 1.00 41.62 O HETATM 1047 O HOH 42 57.168 34.262 13.225 1.00 19.55 O HETATM 1048 O HOH 43 64.993 48.079 -6.340 1.00 26.56 O HETATM 1049 O HOH 44 73.901 41.105 -3.220 1.00 28.10 O HETATM 1050 O HOH 45 66.772 11.807 7.090 1.00 41.76 O HETATM 1051 O HOH 46 67.021 11.644 9.561 1.00 42.13 O HETATM 1052 O HOH 47 69.782 19.146 17.266 1.00 55.34 O HETATM 1053 O HOH 48 68.796 11.033 5.473 1.00 45.95 O HETATM 1054 O HOH 49 60.212 31.831 -11.670 1.00 31.31 O HETATM 1055 O HOH 50 54.428 48.467 -8.201 1.00 50.58 O HETATM 1056 O HOH 51 65.480 11.201 13.938 1.00 46.11 O HETATM 1057 C01 UNN A 52 61.405 37.985 -3.270 1.00 0.02 C HETATM 1058 N02 UNN A 52 60.561 39.045 -3.669 1.00 -0.29 N HETATM 1059 C03 UNN A 52 61.091 40.092 -4.507 1.00 0.22 C HETATM 1060 O04 UNN A 52 62.264 40.053 -4.862 1.00 -0.38 O HETATM 1061 C05 UNN A 52 60.172 41.217 -4.927 1.00 0.12 C HETATM 1062 N06 UNN A 52 58.878 40.940 -5.017 1.00 -0.28 N HETATM 1063 C07 UNN A 52 57.986 41.847 -5.375 1.00 0.02 C HETATM 1064 C08 UNN A 52 58.405 43.132 -5.667 1.00 -0.02 C HETATM 1065 C09 UNN A 52 59.774 43.473 -5.584 1.00 0.07 C HETATM 1066 C10 UNN A 52 60.688 42.473 -5.200 1.00 0.00 C HETATM 1067 H7 UNN A 52 61.750 42.677 -5.121 1.00 0.08 H HETATM 1068 CL UNN A 52 60.307 45.093 -5.951 1.00 -0.06 CL HETATM 1069 H6 UNN A 52 57.679 43.882 -5.961 1.00 0.07 H HETATM 1070 H5 UNN A 52 56.936 41.586 -5.439 1.00 0.08 H HETATM 1071 H4 UNN A 52 59.606 39.069 -3.373 1.00 0.18 H HETATM 1072 H1 UNN A 52 60.839 37.283 -2.640 1.00 0.05 H HETATM 1073 H2 UNN A 52 62.254 38.388 -2.699 1.00 0.05 H HETATM 1074 H3 UNN A 52 61.779 37.459 -4.161 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1057 1058 1072 1073 1074 CONECT 1058 1057 1059 1071 CONECT 1059 1058 1060 1061 CONECT 1060 1059 CONECT 1061 1059 1062 1066 CONECT 1062 1061 1063 CONECT 1063 1062 1064 1070 CONECT 1064 1063 1065 1069 CONECT 1065 1064 1066 1068 CONECT 1066 1061 1065 1067 CONECT 1067 1066 CONECT 1068 1065 CONECT 1069 1064 CONECT 1070 1063 CONECT 1071 1058 CONECT 1072 1057 CONECT 1073 1057 CONECT 1074 1057 MASTER 0 0 0 0 0 0 0 0 1073 1 22 8 END
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Pocket-Ligand
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Related entries of code: 5mgl
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%
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
5mgg
RCSB PDB
PDBbind
7MU
Entry Information
PDB ID
5mgl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2A
Ligand Name
7MU
EC.Number
E.C.-.-.-.-
Resolution
2.65(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
7
H
7
ClN
2
O
Molecular Weight
170.596
Exact Mass
170.025
No. of atoms
18
No. of bonds
18
Polar Surface Area
41.99
LOGP Value
1.09 (
Computed with XLOGP3
)
1.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
CNC(=O)c1cc(Cl)ccn1
InChI String
InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
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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