Browse entries in the PDBbind-CN Database
HEADER 6QHG_COMPLEX COMPND 6QHG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY PRO GLY ALA GLY THR VAL GLY GLY PHE ILE LYS ARG SEQRES 2 A 119 GLN GLN SER LYS VAL VAL GLN ASN LYS VAL VAL TYR TYR SEQRES 3 A 119 GLY VAL GLY ILE TRP ARG GLY PHE MSE ASP GLY TYR GLN SEQRES 4 A 119 VAL HIS LEU GLU ILE GLU ASN ASP ILE GLY GLN PRO PRO SEQRES 5 A 119 ARG LEU ARG ASN VAL THR THR ASN CYS GLN SER SER PRO SEQRES 6 A 119 TRP ASP LEU SER ILE PRO ILE ARG GLN TRP ALA GLU ASP SEQRES 7 A 119 MSE GLY VAL THR ASN ASN GLN ASP TYR SER SER LYS SER SEQRES 8 A 119 SER ARG GLY ALA ARG TYR TRP MSE HIS SER PHE ARG MSE SEQRES 9 A 119 GLN GLY PRO SER LYS PRO PHE GLY CYS PRO VAL TYR ILE SEQRES 10 A 119 ILE LYS HET MSE A1738 9 HET MSE A1782 9 HET MSE A1802 9 HET MSE A1807 9 HET MGT A 338 50 ATOM 1 N GLY A1704 1.561 11.388 78.985 1.00 26.49 N ATOM 2 CA GLY A1704 2.592 12.386 78.767 1.00 21.18 C ATOM 3 C GLY A1704 3.460 12.606 79.990 1.00 17.89 C ATOM 4 O GLY A1704 4.301 11.775 80.315 1.00 19.50 O ATOM 5 HN3 GLY A1704 0.944 11.694 79.764 1.00 0.00 H ATOM 6 HN2 GLY A1704 2.005 10.480 79.229 1.00 0.00 H ATOM 7 HN1 GLY A1704 0.998 11.278 78.118 1.00 0.00 H ATOM 8 N PRO A1705 3.263 13.732 80.670 1.00 14.64 N ATOM 9 CA PRO A1705 4.062 14.021 81.865 1.00 14.03 C ATOM 10 C PRO A1705 3.927 12.912 82.894 1.00 14.46 C ATOM 11 O PRO A1705 2.829 12.425 83.174 1.00 15.27 O ATOM 12 CB PRO A1705 3.458 15.331 82.385 1.00 14.75 C ATOM 13 CG PRO A1705 2.860 15.966 81.189 1.00 16.45 C ATOM 14 CD PRO A1705 2.353 14.834 80.333 1.00 13.21 C ATOM 15 N GLY A1706 5.062 12.513 83.454 1.00 14.40 N ATOM 16 CA GLY A1706 5.088 11.475 84.461 1.00 15.58 C ATOM 17 C GLY A1706 4.932 10.069 83.933 1.00 15.74 C ATOM 18 O GLY A1706 4.912 9.127 84.737 1.00 15.20 O ATOM 19 H GLY A1706 5.955 12.958 83.161 1.00 0.00 H ATOM 20 N ALA A1707 4.803 9.896 82.616 1.00 17.05 N ATOM 21 CA ALA A1707 4.706 8.564 82.042 1.00 19.69 C ATOM 22 C ALA A1707 5.927 7.744 82.432 1.00 17.27 C ATOM 23 O ALA A1707 7.072 8.161 82.220 1.00 17.02 O ATOM 24 CB ALA A1707 4.587 8.646 80.517 1.00 21.58 C ATOM 25 H ALA A1707 4.771 10.727 81.991 1.00 0.00 H ATOM 26 N GLY A1708 5.678 6.585 83.030 1.00 14.89 N ATOM 27 CA GLY A1708 6.730 5.689 83.417 1.00 13.53 C ATOM 28 C GLY A1708 7.199 5.837 84.845 1.00 8.13 C ATOM 29 O GLY A1708 7.809 4.906 85.370 1.00 10.85 O ATOM 30 H GLY A1708 4.692 6.319 83.224 1.00 0.00 H ATOM 31 N THR A1709 6.954 6.981 85.485 1.00 7.42 N ATOM 32 CA THR A1709 7.383 7.163 86.867 1.00 3.99 C ATOM 33 C THR A1709 6.881 6.012 87.727 1.00 5.27 C ATOM 34 O THR A1709 5.708 5.622 87.654 1.00 6.83 O ATOM 35 CB THR A1709 6.840 8.487 87.413 1.00 4.63 C ATOM 36 OG1 THR A1709 7.440 9.582 86.712 1.00 5.21 O ATOM 37 CG2 THR A1709 7.128 8.633 88.909 1.00 6.48 C ATOM 38 HG1 THR A1709 7.086 10.435 87.069 1.00 0.00 H ATOM 39 H THR A1709 6.453 7.749 84.995 1.00 0.00 H ATOM 40 N VAL A1710 7.777 5.459 88.536 1.00 6.00 N ATOM 41 CA VAL A1710 7.419 4.381 89.448 1.00 4.92 C ATOM 42 C VAL A1710 8.159 4.567 90.764 1.00 4.37 C ATOM 43 O VAL A1710 9.310 5.010 90.787 1.00 5.70 O ATOM 44 CB VAL A1710 7.681 2.993 88.830 1.00 7.55 C ATOM 45 CG1 VAL A1710 9.160 2.815 88.485 1.00 6.81 C ATOM 46 CG2 VAL A1710 7.191 1.925 89.780 1.00 11.95 C ATOM 47 H VAL A1710 8.758 5.804 88.518 1.00 0.00 H ATOM 48 N GLY A1711 7.486 4.245 91.862 1.00 3.88 N ATOM 49 CA GLY A1711 8.091 4.378 93.172 1.00 3.62 C ATOM 50 C GLY A1711 7.025 4.268 94.238 1.00 4.51 C ATOM 51 O GLY A1711 5.910 3.818 93.973 1.00 7.62 O ATOM 52 H GLY A1711 6.511 3.892 91.781 1.00 0.00 H ATOM 53 N GLY A1712 7.378 4.692 95.439 1.00 2.20 N ATOM 54 CA GLY A1712 6.421 4.650 96.528 1.00 2.99 C ATOM 55 C GLY A1712 7.036 5.242 97.775 1.00 3.50 C ATOM 56 O GLY A1712 8.225 5.564 97.821 1.00 3.29 O ATOM 57 H GLY A1712 8.339 5.055 95.603 1.00 0.00 H ATOM 58 N PHE A1713 6.202 5.388 98.793 1.00 4.36 N ATOM 59 CA PHE A1713 6.688 5.915 100.061 1.00 3.08 C ATOM 60 C PHE A1713 7.503 4.858 100.788 1.00 5.02 C ATOM 61 O PHE A1713 7.034 3.730 100.998 1.00 8.25 O ATOM 62 CB PHE A1713 5.528 6.400 100.924 1.00 4.08 C ATOM 63 CG PHE A1713 4.946 7.699 100.458 1.00 5.66 C ATOM 64 CD1 PHE A1713 5.518 8.905 100.844 1.00 5.66 C ATOM 65 CD2 PHE A1713 3.843 7.720 99.609 1.00 7.52 C ATOM 66 CE1 PHE A1713 4.995 10.109 100.406 1.00 6.54 C ATOM 67 CE2 PHE A1713 3.311 8.925 99.165 1.00 7.98 C ATOM 68 CZ PHE A1713 3.891 10.121 99.565 1.00 7.90 C ATOM 69 H PHE A1713 5.201 5.127 98.687 1.00 0.00 H ATOM 70 N ILE A1714 8.734 5.211 101.132 1.00 3.61 N ATOM 71 CA ILE A1714 9.520 4.383 102.037 1.00 4.16 C ATOM 72 C ILE A1714 9.318 4.817 103.485 1.00 5.57 C ATOM 73 O ILE A1714 9.432 3.994 104.397 1.00 6.91 O ATOM 74 CB ILE A1714 11.012 4.353 101.650 1.00 10.52 C ATOM 75 CG1 ILE A1714 11.617 5.751 101.747 1.00 11.44 C ATOM 76 CG2 ILE A1714 11.182 3.800 100.244 1.00 16.09 C ATOM 77 CD1 ILE A1714 12.942 5.789 102.475 1.00 15.89 C ATOM 78 H ILE A1714 9.143 6.088 100.752 1.00 0.00 H ATOM 79 N LYS A1715 9.022 6.094 103.716 1.00 5.02 N ATOM 80 CA LYS A1715 8.589 6.583 105.022 1.00 3.73 C ATOM 81 C LYS A1715 7.198 7.167 104.825 1.00 3.66 C ATOM 82 O LYS A1715 7.041 8.227 104.208 1.00 3.42 O ATOM 83 CB LYS A1715 9.554 7.624 105.587 1.00 6.15 C ATOM 84 CG LYS A1715 9.136 8.177 106.957 1.00 7.58 C ATOM 85 CD LYS A1715 10.120 9.232 107.457 1.00 7.45 C ATOM 86 CE LYS A1715 9.613 9.931 108.722 1.00 9.92 C ATOM 87 NZ LYS A1715 9.258 8.968 109.807 1.00 13.90 N ATOM 88 HZ1 LYS A1715 8.508 8.330 109.471 1.00 0.00 H ATOM 89 HZ2 LYS A1715 10.098 8.412 110.064 1.00 0.00 H ATOM 90 HZ3 LYS A1715 8.921 9.494 110.639 1.00 0.00 H ATOM 91 H LYS A1715 9.103 6.773 102.932 1.00 0.00 H ATOM 92 N ARG A1716 6.194 6.455 105.312 1.00 7.46 N ATOM 93 CA ARG A1716 4.827 6.931 105.212 1.00 10.63 C ATOM 94 C ARG A1716 4.615 8.083 106.176 1.00 8.83 C ATOM 95 O ARG A1716 5.176 8.104 107.274 1.00 11.64 O ATOM 96 CB ARG A1716 3.869 5.794 105.562 1.00 15.03 C ATOM 97 CG ARG A1716 4.168 4.513 104.799 1.00 20.45 C ATOM 98 CD ARG A1716 3.595 3.296 105.509 1.00 24.29 C ATOM 99 NE ARG A1716 2.138 3.335 105.579 1.00 26.91 N ATOM 100 CZ ARG A1716 1.335 2.834 104.647 1.00 29.12 C ATOM 101 NH1 ARG A1716 1.849 2.253 103.570 1.00 29.58 N ATOM 102 NH2 ARG A1716 0.018 2.911 104.794 1.00 30.56 N ATOM 103 HE ARG A1716 1.701 3.783 106.410 1.00 0.00 H ATOM 104 HH12 ARG A1716 1.220 1.861 102.840 1.00 0.00 H ATOM 105 HH11 ARG A1716 2.881 2.190 103.456 1.00 0.00 H ATOM 106 HH22 ARG A1716 -0.611 2.519 104.064 1.00 0.00 H ATOM 107 HH21 ARG A1716 -0.385 3.364 105.639 1.00 0.00 H ATOM 108 H ARG A1716 6.387 5.543 105.772 1.00 0.00 H ATOM 109 N GLN A1717 3.810 9.054 105.758 1.00 8.16 N ATOM 110 CA GLN A1717 3.365 10.068 106.695 1.00 8.20 C ATOM 111 C GLN A1717 2.486 9.424 107.764 1.00 10.36 C ATOM 112 O GLN A1717 1.914 8.346 107.577 1.00 13.00 O ATOM 113 CB GLN A1717 2.563 11.149 105.971 1.00 7.32 C ATOM 114 CG GLN A1717 3.420 12.101 105.146 1.00 8.22 C ATOM 115 CD GLN A1717 2.609 13.217 104.534 1.00 7.83 C ATOM 116 OE1 GLN A1717 1.778 12.991 103.651 1.00 8.66 O ATOM 117 NE2 GLN A1717 2.824 14.432 105.016 1.00 7.41 N ATOM 118 HE22 GLN A1717 3.535 14.578 105.761 1.00 0.00 H ATOM 119 HE21 GLN A1717 2.282 15.240 104.649 1.00 0.00 H ATOM 120 H GLN A1717 3.501 9.087 104.766 1.00 0.00 H ATOM 121 N GLN A1718 2.392 10.095 108.902 1.00 11.52 N ATOM 122 CA GLN A1718 1.401 9.703 109.888 1.00 12.86 C ATOM 123 C GLN A1718 0.008 9.988 109.336 1.00 11.34 C ATOM 124 O GLN A1718 -0.167 10.792 108.419 1.00 11.30 O ATOM 125 CB GLN A1718 1.630 10.473 111.186 1.00 16.94 C ATOM 126 CG GLN A1718 3.024 10.264 111.765 1.00 19.70 C ATOM 127 CD GLN A1718 3.401 11.312 112.789 1.00 25.12 C ATOM 128 OE1 GLN A1718 4.222 12.192 112.517 1.00 27.62 O ATOM 129 NE2 GLN A1718 2.806 11.226 113.975 1.00 28.11 N ATOM 130 HE22 GLN A1718 2.120 10.466 114.159 1.00 0.00 H ATOM 131 HE21 GLN A1718 3.027 11.918 114.719 1.00 0.00 H ATOM 132 H GLN A1718 3.025 10.899 109.088 1.00 0.00 H ATOM 133 N SER A1719 -0.995 9.308 109.886 1.00 11.94 N ATOM 134 CA SER A1719 -2.339 9.476 109.352 1.00 13.96 C ATOM 135 C SER A1719 -3.377 9.239 110.434 1.00 13.71 C ATOM 136 O SER A1719 -3.126 8.561 111.433 1.00 14.05 O ATOM 137 CB SER A1719 -2.607 8.542 108.163 1.00 15.25 C ATOM 138 OG SER A1719 -2.698 7.191 108.586 1.00 17.21 O ATOM 139 HG SER A1719 -3.440 7.099 109.235 1.00 0.00 H ATOM 140 H SER A1719 -0.821 8.666 110.686 1.00 0.00 H ATOM 141 N LYS A1720 -4.555 9.817 110.213 1.00 12.55 N ATOM 142 CA LYS A1720 -5.732 9.490 110.999 1.00 12.75 C ATOM 143 C LYS A1720 -6.959 9.661 110.114 1.00 12.89 C ATOM 144 O LYS A1720 -6.894 10.234 109.025 1.00 14.67 O ATOM 145 CB LYS A1720 -5.813 10.319 112.284 1.00 17.45 C ATOM 146 CG LYS A1720 -5.990 11.800 112.079 1.00 21.17 C ATOM 147 CD LYS A1720 -6.043 12.512 113.420 1.00 26.37 C ATOM 148 CE LYS A1720 -4.793 12.237 114.238 1.00 30.23 C ATOM 149 NZ LYS A1720 -4.818 12.959 115.541 1.00 33.23 N ATOM 150 HZ1 LYS A1720 -4.878 13.983 115.368 1.00 0.00 H ATOM 151 HZ2 LYS A1720 -5.645 12.650 116.091 1.00 0.00 H ATOM 152 HZ3 LYS A1720 -3.949 12.746 116.071 1.00 0.00 H ATOM 153 H LYS A1720 -4.635 10.524 109.455 1.00 0.00 H ATOM 154 N VAL A1721 -8.084 9.140 110.584 1.00 12.55 N ATOM 155 CA VAL A1721 -9.348 9.250 109.867 1.00 12.19 C ATOM 156 C VAL A1721 -10.161 10.362 110.512 1.00 13.04 C ATOM 157 O VAL A1721 -10.410 10.341 111.723 1.00 16.37 O ATOM 158 CB VAL A1721 -10.112 7.917 109.870 1.00 15.15 C ATOM 159 CG1 VAL A1721 -11.450 8.071 109.160 1.00 15.99 C ATOM 160 CG2 VAL A1721 -9.263 6.839 109.207 1.00 15.49 C ATOM 161 H VAL A1721 -8.064 8.637 111.494 1.00 0.00 H ATOM 162 N VAL A1722 -10.552 11.346 109.707 1.00 12.92 N ATOM 163 CA VAL A1722 -11.341 12.480 110.163 1.00 16.95 C ATOM 164 C VAL A1722 -12.473 12.671 109.172 1.00 18.07 C ATOM 165 O VAL A1722 -12.229 12.779 107.964 1.00 17.94 O ATOM 166 CB VAL A1722 -10.499 13.765 110.258 1.00 18.21 C ATOM 167 CG1 VAL A1722 -11.369 14.922 110.717 1.00 19.42 C ATOM 168 CG2 VAL A1722 -9.332 13.570 111.210 1.00 21.79 C ATOM 169 H VAL A1722 -10.281 11.303 108.704 1.00 0.00 H ATOM 170 N GLN A1723 -13.705 12.712 109.679 1.00 21.40 N ATOM 171 CA GLN A1723 -14.876 12.901 108.829 1.00 25.53 C ATOM 172 C GLN A1723 -14.886 11.877 107.694 1.00 23.52 C ATOM 173 O GLN A1723 -15.121 12.200 106.527 1.00 23.48 O ATOM 174 CB GLN A1723 -14.953 14.342 108.316 1.00 29.96 C ATOM 175 CG GLN A1723 -16.356 14.865 108.076 1.00 33.20 C ATOM 176 CD GLN A1723 -17.227 14.861 109.323 1.00 35.63 C ATOM 177 OE1 GLN A1723 -18.436 14.624 109.245 1.00 34.66 O ATOM 178 NE2 GLN A1723 -16.623 15.137 110.476 1.00 37.14 N ATOM 179 HE22 GLN A1723 -15.601 15.331 110.495 1.00 0.00 H ATOM 180 HE21 GLN A1723 -17.173 15.159 111.359 1.00 0.00 H ATOM 181 H GLN A1723 -13.835 12.607 110.705 1.00 0.00 H ATOM 182 N ASN A1724 -14.575 10.629 108.051 1.00 22.69 N ATOM 183 CA ASN A1724 -14.608 9.489 107.133 1.00 23.40 C ATOM 184 C ASN A1724 -13.590 9.603 106.000 1.00 21.22 C ATOM 185 O ASN A1724 -13.777 9.026 104.925 1.00 21.43 O ATOM 186 CB ASN A1724 -16.022 9.195 106.617 1.00 25.77 C ATOM 187 CG ASN A1724 -16.913 8.577 107.685 1.00 28.75 C ATOM 188 OD1 ASN A1724 -17.858 9.208 108.169 1.00 29.19 O ATOM 189 ND2 ASN A1724 -16.600 7.342 108.074 1.00 28.13 N ATOM 190 HD22 ASN A1724 -15.795 6.848 107.639 1.00 0.00 H ATOM 191 HD21 ASN A1724 -17.161 6.872 108.813 1.00 0.00 H ATOM 192 H ASN A1724 -14.293 10.457 109.037 1.00 0.00 H ATOM 193 N LYS A1725 -12.496 10.328 106.234 1.00 18.76 N ATOM 194 CA LYS A1725 -11.432 10.471 105.249 1.00 17.83 C ATOM 195 C LYS A1725 -10.077 10.366 105.934 1.00 14.41 C ATOM 196 O LYS A1725 -9.892 10.870 107.044 1.00 14.68 O ATOM 197 CB LYS A1725 -11.511 11.822 104.536 1.00 19.92 C ATOM 198 CG LYS A1725 -12.814 12.079 103.807 1.00 24.76 C ATOM 199 CD LYS A1725 -12.656 13.271 102.892 1.00 27.55 C ATOM 200 CE LYS A1725 -13.831 14.218 102.991 1.00 25.99 C ATOM 201 NZ LYS A1725 -14.093 14.654 104.390 1.00 27.13 N ATOM 202 HZ1 LYS A1725 -14.300 13.822 104.978 1.00 0.00 H ATOM 203 HZ2 LYS A1725 -13.254 15.143 104.762 1.00 0.00 H ATOM 204 HZ3 LYS A1725 -14.907 15.301 104.403 1.00 0.00 H ATOM 205 H LYS A1725 -12.399 10.808 107.151 1.00 0.00 H ATOM 206 N VAL A1726 -9.122 9.717 105.268 1.00 13.69 N ATOM 207 CA VAL A1726 -7.772 9.655 105.813 1.00 13.39 C ATOM 208 C VAL A1726 -7.099 11.007 105.624 1.00 12.55 C ATOM 209 O VAL A1726 -7.212 11.635 104.562 1.00 17.07 O ATOM 210 CB VAL A1726 -6.975 8.508 105.170 1.00 15.20 C ATOM 211 CG1 VAL A1726 -6.809 8.731 103.675 1.00 17.87 C ATOM 212 CG2 VAL A1726 -5.622 8.345 105.856 1.00 15.19 C ATOM 213 H VAL A1726 -9.340 9.256 104.362 1.00 0.00 H ATOM 214 N VAL A1727 -6.437 11.488 106.671 1.00 9.64 N ATOM 215 CA VAL A1727 -5.653 12.718 106.603 1.00 9.96 C ATOM 216 C VAL A1727 -4.212 12.392 106.969 1.00 12.22 C ATOM 217 O VAL A1727 -3.956 11.715 107.972 1.00 13.13 O ATOM 218 CB VAL A1727 -6.234 13.843 107.482 1.00 15.12 C ATOM 219 CG1 VAL A1727 -7.702 14.077 107.144 1.00 17.90 C ATOM 220 CG2 VAL A1727 -6.077 13.545 108.958 1.00 18.06 C ATOM 221 H VAL A1727 -6.479 10.970 107.572 1.00 0.00 H ATOM 222 N TYR A1728 -3.280 12.850 106.140 1.00 11.52 N ATOM 223 CA TYR A1728 -1.860 12.588 106.314 1.00 11.61 C ATOM 224 C TYR A1728 -1.170 13.807 106.914 1.00 11.81 C ATOM 225 O TYR A1728 -1.564 14.951 106.670 1.00 13.26 O ATOM 226 CB TYR A1728 -1.222 12.243 104.966 1.00 12.62 C ATOM 227 CG TYR A1728 -1.676 10.920 104.392 1.00 12.40 C ATOM 228 CD1 TYR A1728 -1.185 9.721 104.895 1.00 14.01 C ATOM 229 CD2 TYR A1728 -2.581 10.868 103.340 1.00 12.98 C ATOM 230 CE1 TYR A1728 -1.582 8.508 104.373 1.00 14.03 C ATOM 231 CE2 TYR A1728 -2.991 9.654 102.810 1.00 16.71 C ATOM 232 CZ TYR A1728 -2.488 8.478 103.332 1.00 17.24 C ATOM 233 OH TYR A1728 -2.887 7.266 102.813 1.00 19.61 O ATOM 234 HH TYR A1728 -3.867 7.172 102.913 1.00 0.00 H ATOM 235 H TYR A1728 -3.581 13.424 105.327 1.00 0.00 H ATOM 236 N TYR A1729 -0.125 13.554 107.701 1.00 11.20 N ATOM 237 CA TYR A1729 0.624 14.635 108.331 1.00 10.17 C ATOM 238 C TYR A1729 2.001 14.118 108.720 1.00 10.62 C ATOM 239 O TYR A1729 2.277 12.919 108.658 1.00 9.11 O ATOM 240 CB TYR A1729 -0.130 15.232 109.531 1.00 12.05 C ATOM 241 CG TYR A1729 -0.339 14.281 110.692 1.00 14.27 C ATOM 242 CD1 TYR A1729 -1.375 13.354 110.684 1.00 15.70 C ATOM 243 CD2 TYR A1729 0.483 14.330 111.810 1.00 13.92 C ATOM 244 CE1 TYR A1729 -1.575 12.493 111.754 1.00 17.42 C ATOM 245 CE2 TYR A1729 0.292 13.472 112.882 1.00 16.31 C ATOM 246 CZ TYR A1729 -0.735 12.559 112.852 1.00 17.43 C ATOM 247 OH TYR A1729 -0.924 11.708 113.927 1.00 20.60 O ATOM 248 HH TYR A1729 -1.699 11.118 113.747 1.00 0.00 H ATOM 249 H TYR A1729 0.161 12.568 107.869 1.00 0.00 H ATOM 250 N GLY A1730 2.867 15.041 109.119 1.00 8.72 N ATOM 251 CA GLY A1730 4.240 14.682 109.392 1.00 7.12 C ATOM 252 C GLY A1730 5.059 14.591 108.115 1.00 6.10 C ATOM 253 O GLY A1730 4.714 15.161 107.076 1.00 6.66 O ATOM 254 H GLY A1730 2.556 16.027 109.236 1.00 0.00 H ATOM 255 N VAL A1731 6.162 13.847 108.202 1.00 5.47 N ATOM 256 CA VAL A1731 7.151 13.753 107.128 1.00 5.24 C ATOM 257 C VAL A1731 6.907 12.484 106.324 1.00 4.78 C ATOM 258 O VAL A1731 6.701 11.403 106.894 1.00 5.53 O ATOM 259 CB VAL A1731 8.587 13.772 107.685 1.00 5.82 C ATOM 260 CG1 VAL A1731 9.607 13.504 106.579 1.00 7.05 C ATOM 261 CG2 VAL A1731 8.882 15.100 108.374 1.00 7.81 C ATOM 262 H VAL A1731 6.327 13.307 109.076 1.00 0.00 H ATOM 263 N GLY A1732 6.925 12.613 105.004 1.00 3.20 N ATOM 264 CA GLY A1732 6.900 11.466 104.108 1.00 2.54 C ATOM 265 C GLY A1732 8.113 11.477 103.200 1.00 1.83 C ATOM 266 O GLY A1732 8.582 12.538 102.792 1.00 2.66 O ATOM 267 H GLY A1732 6.958 13.568 104.594 1.00 0.00 H ATOM 268 N ILE A1733 8.620 10.288 102.890 1.00 2.54 N ATOM 269 CA ILE A1733 9.736 10.148 101.958 1.00 2.98 C ATOM 270 C ILE A1733 9.318 9.178 100.873 1.00 2.09 C ATOM 271 O ILE A1733 8.991 8.022 101.164 1.00 3.05 O ATOM 272 CB ILE A1733 11.028 9.659 102.628 1.00 3.63 C ATOM 273 CG1 ILE A1733 11.447 10.604 103.758 1.00 6.52 C ATOM 274 CG2 ILE A1733 12.123 9.539 101.571 1.00 4.96 C ATOM 275 CD1 ILE A1733 12.625 10.088 104.556 1.00 8.92 C ATOM 276 H ILE A1733 8.211 9.435 103.322 1.00 0.00 H ATOM 277 N TRP A1734 9.345 9.640 99.632 1.00 2.60 N ATOM 278 CA TRP A1734 9.009 8.849 98.461 1.00 1.68 C ATOM 279 C TRP A1734 10.295 8.602 97.686 1.00 1.64 C ATOM 280 O TRP A1734 11.110 9.513 97.509 1.00 3.61 O ATOM 281 CB TRP A1734 8.010 9.627 97.597 1.00 3.28 C ATOM 282 CG TRP A1734 7.497 8.924 96.368 1.00 3.66 C ATOM 283 CD1 TRP A1734 6.298 8.276 96.236 1.00 4.98 C ATOM 284 CD2 TRP A1734 8.142 8.832 95.084 1.00 5.90 C ATOM 285 NE1 TRP A1734 6.167 7.780 94.962 1.00 7.37 N ATOM 286 CE2 TRP A1734 7.279 8.110 94.234 1.00 7.83 C ATOM 287 CE3 TRP A1734 9.362 9.288 94.572 1.00 6.51 C ATOM 288 CZ2 TRP A1734 7.600 7.830 92.902 1.00 8.11 C ATOM 289 CZ3 TRP A1734 9.679 9.005 93.244 1.00 7.50 C ATOM 290 CH2 TRP A1734 8.803 8.283 92.429 1.00 7.27 C ATOM 291 HE1 TRP A1734 5.353 7.240 94.607 1.00 0.00 H ATOM 292 H TRP A1734 9.624 10.631 99.487 1.00 0.00 H ATOM 293 N ARG A1735 10.494 7.369 97.237 1.00 2.65 N ATOM 294 CA ARG A1735 11.643 7.046 96.408 1.00 3.34 C ATOM 295 C ARG A1735 11.181 6.270 95.192 1.00 2.53 C ATOM 296 O ARG A1735 10.258 5.454 95.271 1.00 2.97 O ATOM 297 CB ARG A1735 12.684 6.234 97.149 1.00 6.42 C ATOM 298 CG ARG A1735 13.398 7.042 98.203 1.00 9.41 C ATOM 299 CD ARG A1735 14.784 6.552 98.399 1.00 11.51 C ATOM 300 NE ARG A1735 15.337 7.075 99.634 1.00 13.90 N ATOM 301 CZ ARG A1735 16.130 6.368 100.427 1.00 20.11 C ATOM 302 NH1 ARG A1735 16.442 5.125 100.090 1.00 20.71 N ATOM 303 NH2 ARG A1735 16.599 6.894 101.549 1.00 23.47 N ATOM 304 HE ARG A1735 15.100 8.049 99.910 1.00 0.00 H ATOM 305 HH12 ARG A1735 17.063 4.560 100.704 1.00 0.00 H ATOM 306 HH11 ARG A1735 16.066 4.714 99.212 1.00 0.00 H ATOM 307 HH22 ARG A1735 17.221 6.333 102.166 1.00 0.00 H ATOM 308 HH21 ARG A1735 16.346 7.868 101.813 1.00 0.00 H ATOM 309 H ARG A1735 9.815 6.620 97.483 1.00 0.00 H ATOM 310 N GLY A1736 11.846 6.514 94.078 1.00 2.87 N ATOM 311 CA GLY A1736 11.486 5.824 92.867 1.00 4.35 C ATOM 312 C GLY A1736 12.393 6.180 91.722 1.00 2.05 C ATOM 313 O GLY A1736 13.549 6.581 91.918 1.00 2.12 O ATOM 314 H GLY A1736 12.626 7.202 94.075 1.00 0.00 H ATOM 315 N PHE A1737 11.866 6.026 90.510 1.00 3.73 N ATOM 316 CA PHE A1737 12.623 6.243 89.290 1.00 2.33 C ATOM 317 C PHE A1737 11.831 7.124 88.343 1.00 2.64 C ATOM 318 O PHE A1737 10.618 6.961 88.191 1.00 3.28 O ATOM 319 CB PHE A1737 12.896 4.911 88.590 1.00 4.97 C ATOM 320 CG PHE A1737 13.861 4.035 89.318 1.00 4.07 C ATOM 321 CD1 PHE A1737 13.425 3.191 90.327 1.00 7.72 C ATOM 322 CD2 PHE A1737 15.206 4.034 88.980 1.00 7.16 C ATOM 323 CE1 PHE A1737 14.317 2.366 90.993 1.00 10.47 C ATOM 324 CE2 PHE A1737 16.106 3.219 89.650 1.00 9.52 C ATOM 325 CZ PHE A1737 15.661 2.388 90.662 1.00 11.54 C ATOM 326 H PHE A1737 10.870 5.738 90.433 1.00 0.00 H HETATM 327 N MSE A1738 12.540 8.036 87.689 1.00 2.36 N HETATM 328 CA MSE A1738 11.977 8.865 86.639 1.00 4.31 C HETATM 329 C MSE A1738 12.995 8.887 85.513 1.00 5.17 C HETATM 330 O MSE A1738 14.124 9.325 85.713 1.00 5.60 O HETATM 331 CB MSE A1738 11.721 10.281 87.150 1.00 5.13 C HETATM 332 CG MSE A1738 10.631 10.355 88.199 1.00 4.82 C HETATM 333 SE MSE A1738 10.498 12.143 88.923 1.00 10.90 S HETATM 334 CE MSE A1738 8.982 11.855 90.113 1.00 9.08 C HETATM 335 H MSE A1738 13.541 8.162 87.940 1.00 0.00 H ATOM 336 N ASP A1739 12.609 8.392 84.337 1.00 6.06 N ATOM 337 CA ASP A1739 13.482 8.415 83.161 1.00 6.13 C ATOM 338 C ASP A1739 14.798 7.678 83.409 1.00 6.76 C ATOM 339 O ASP A1739 15.857 8.079 82.915 1.00 9.12 O ATOM 340 CB ASP A1739 13.731 9.850 82.685 1.00 9.56 C ATOM 341 CG ASP A1739 14.224 9.919 81.254 1.00 15.25 C ATOM 342 OD1 ASP A1739 15.012 10.839 80.942 1.00 20.03 O ATOM 343 OD2 ASP A1739 13.818 9.068 80.436 1.00 18.15 O ATOM 344 H ASP A1739 11.659 7.977 84.252 1.00 0.00 H ATOM 345 N GLY A1740 14.753 6.608 84.198 1.00 5.82 N ATOM 346 CA GLY A1740 15.943 5.846 84.504 1.00 6.89 C ATOM 347 C GLY A1740 16.745 6.336 85.687 1.00 6.76 C ATOM 348 O GLY A1740 17.639 5.609 86.150 1.00 8.78 O ATOM 349 H GLY A1740 13.842 6.313 84.604 1.00 0.00 H ATOM 350 N TYR A1741 16.460 7.532 86.197 1.00 4.65 N ATOM 351 CA TYR A1741 17.220 8.109 87.292 1.00 3.57 C ATOM 352 C TYR A1741 16.526 7.845 88.619 1.00 3.56 C ATOM 353 O TYR A1741 15.300 7.746 88.689 1.00 3.76 O ATOM 354 CB TYR A1741 17.394 9.618 87.094 1.00 5.32 C ATOM 355 CG TYR A1741 18.242 9.934 85.882 1.00 7.62 C ATOM 356 CD1 TYR A1741 19.627 9.809 85.927 1.00 8.16 C ATOM 357 CD2 TYR A1741 17.659 10.332 84.686 1.00 10.63 C ATOM 358 CE1 TYR A1741 20.412 10.081 84.812 1.00 9.69 C ATOM 359 CE2 TYR A1741 18.431 10.604 83.570 1.00 11.52 C ATOM 360 CZ TYR A1741 19.804 10.474 83.638 1.00 12.13 C ATOM 361 OH TYR A1741 20.566 10.752 82.522 1.00 18.20 O ATOM 362 HH TYR A1741 21.523 10.612 82.734 1.00 0.00 H ATOM 363 H TYR A1741 15.666 8.072 85.798 1.00 0.00 H ATOM 364 N GLN A1742 17.320 7.730 89.673 1.00 3.19 N ATOM 365 CA GLN A1742 16.760 7.593 91.011 1.00 4.87 C ATOM 366 C GLN A1742 16.341 8.958 91.526 1.00 3.15 C ATOM 367 O GLN A1742 17.056 9.948 91.359 1.00 3.33 O ATOM 368 CB GLN A1742 17.786 6.990 91.971 1.00 5.37 C ATOM 369 CG GLN A1742 18.210 5.584 91.613 1.00 10.90 C ATOM 370 CD GLN A1742 19.244 5.021 92.562 1.00 17.90 C ATOM 371 OE1 GLN A1742 19.495 5.575 93.637 1.00 20.77 O ATOM 372 NE2 GLN A1742 19.850 3.908 92.172 1.00 20.73 N ATOM 373 HE22 GLN A1742 19.606 3.476 91.258 1.00 0.00 H ATOM 374 HE21 GLN A1742 20.569 3.467 92.780 1.00 0.00 H ATOM 375 H GLN A1742 18.352 7.738 89.544 1.00 0.00 H ATOM 376 N VAL A1743 15.177 9.004 92.160 1.00 3.88 N ATOM 377 CA VAL A1743 14.627 10.245 92.696 1.00 3.70 C ATOM 378 C VAL A1743 14.115 9.982 94.103 1.00 3.70 C ATOM 379 O VAL A1743 13.432 8.981 94.356 1.00 6.78 O ATOM 380 CB VAL A1743 13.499 10.811 91.804 1.00 5.23 C ATOM 381 CG1 VAL A1743 12.970 12.101 92.396 1.00 7.46 C ATOM 382 CG2 VAL A1743 13.997 11.064 90.394 1.00 6.43 C ATOM 383 H VAL A1743 14.636 8.124 92.280 1.00 0.00 H ATOM 384 N HIS A1744 14.428 10.902 95.009 1.00 2.66 N ATOM 385 CA HIS A1744 14.049 10.872 96.417 1.00 2.68 C ATOM 386 C HIS A1744 13.321 12.187 96.667 1.00 2.21 C ATOM 387 O HIS A1744 13.844 13.256 96.344 1.00 2.59 O ATOM 388 CB HIS A1744 15.343 10.752 97.242 1.00 3.46 C ATOM 389 CG HIS A1744 15.221 11.088 98.700 1.00 4.39 C ATOM 390 ND1 HIS A1744 15.340 10.137 99.693 1.00 6.90 N ATOM 391 CD2 HIS A1744 15.082 12.277 99.337 1.00 5.31 C ATOM 392 CE1 HIS A1744 15.234 10.719 100.876 1.00 6.63 C ATOM 393 NE2 HIS A1744 15.077 12.018 100.689 1.00 5.89 N ATOM 394 H HIS A1744 14.992 11.714 94.686 1.00 0.00 H ATOM 395 N LEU A1745 12.086 12.110 97.170 1.00 2.27 N ATOM 396 CA LEU A1745 11.254 13.294 97.385 1.00 1.60 C ATOM 397 C LEU A1745 10.735 13.275 98.810 1.00 2.39 C ATOM 398 O LEU A1745 10.162 12.274 99.247 1.00 5.47 O ATOM 399 CB LEU A1745 10.067 13.301 96.413 1.00 2.94 C ATOM 400 CG LEU A1745 10.402 13.227 94.923 1.00 2.42 C ATOM 401 CD1 LEU A1745 9.152 13.012 94.066 1.00 4.88 C ATOM 402 CD2 LEU A1745 11.134 14.489 94.486 1.00 3.41 C ATOM 403 H LEU A1745 11.702 11.176 97.417 1.00 0.00 H ATOM 404 N GLU A1746 10.912 14.380 99.531 1.00 1.67 N ATOM 405 CA GLU A1746 10.389 14.499 100.883 1.00 2.15 C ATOM 406 C GLU A1746 9.273 15.526 100.914 1.00 2.30 C ATOM 407 O GLU A1746 9.384 16.599 100.308 1.00 2.59 O ATOM 408 CB GLU A1746 11.466 14.922 101.870 1.00 2.89 C ATOM 409 CG GLU A1746 12.658 13.990 101.891 1.00 2.50 C ATOM 410 CD GLU A1746 13.721 14.457 102.845 1.00 3.58 C ATOM 411 OE1 GLU A1746 14.802 13.847 102.843 1.00 6.01 O ATOM 412 OE2 GLU A1746 13.483 15.422 103.600 1.00 5.90 O ATOM 413 H GLU A1746 11.437 15.177 99.118 1.00 0.00 H ATOM 414 N ILE A1747 8.198 15.183 101.623 1.00 2.28 N ATOM 415 CA ILE A1747 7.072 16.082 101.831 1.00 2.57 C ATOM 416 C ILE A1747 6.805 16.209 103.326 1.00 3.72 C ATOM 417 O ILE A1747 7.154 15.338 104.123 1.00 4.66 O ATOM 418 CB ILE A1747 5.807 15.632 101.073 1.00 2.60 C ATOM 419 CG1 ILE A1747 5.342 14.251 101.567 1.00 4.09 C ATOM 420 CG2 ILE A1747 6.099 15.605 99.580 1.00 4.02 C ATOM 421 CD1 ILE A1747 4.026 13.756 100.931 1.00 3.62 C ATOM 422 H ILE A1747 8.162 14.233 102.045 1.00 0.00 H ATOM 423 N GLU A1748 6.186 17.323 103.707 1.00 4.37 N ATOM 424 CA GLU A1748 5.794 17.492 105.099 1.00 4.54 C ATOM 425 C GLU A1748 4.585 18.409 105.170 1.00 5.11 C ATOM 426 O GLU A1748 4.391 19.271 104.306 1.00 4.92 O ATOM 427 CB GLU A1748 6.919 18.084 105.954 1.00 7.91 C ATOM 428 CG GLU A1748 7.261 19.511 105.590 1.00 9.95 C ATOM 429 CD GLU A1748 8.249 20.132 106.551 1.00 17.65 C ATOM 430 OE1 GLU A1748 8.999 19.375 107.208 1.00 18.45 O ATOM 431 OE2 GLU A1748 8.269 21.377 106.651 1.00 19.80 O ATOM 432 H GLU A1748 5.983 18.071 103.013 1.00 0.00 H ATOM 433 N ASN A1749 3.777 18.212 106.212 1.00 5.75 N ATOM 434 CA ASN A1749 2.710 19.149 106.541 1.00 6.65 C ATOM 435 C ASN A1749 2.182 18.847 107.932 1.00 7.65 C ATOM 436 O ASN A1749 2.262 17.713 108.411 1.00 9.32 O ATOM 437 CB ASN A1749 1.557 19.093 105.530 1.00 4.94 C ATOM 438 CG ASN A1749 0.932 17.714 105.420 1.00 6.36 C ATOM 439 OD1 ASN A1749 1.403 16.879 104.662 1.00 6.77 O ATOM 440 ND2 ASN A1749 -0.164 17.484 106.151 1.00 6.33 N ATOM 441 HD22 ASN A1749 -0.531 18.223 106.784 1.00 0.00 H ATOM 442 HD21 ASN A1749 -0.649 16.566 106.087 1.00 0.00 H ATOM 443 H ASN A1749 3.911 17.368 106.805 1.00 0.00 H ATOM 444 N ASP A1750 1.652 19.885 108.573 1.00 10.86 N ATOM 445 CA ASP A1750 0.813 19.693 109.743 1.00 13.41 C ATOM 446 C ASP A1750 -0.581 19.272 109.299 1.00 12.29 C ATOM 447 O ASP A1750 -0.972 19.462 108.143 1.00 12.40 O ATOM 448 CB ASP A1750 0.701 20.990 110.544 1.00 18.75 C ATOM 449 CG ASP A1750 1.955 21.304 111.323 1.00 24.31 C ATOM 450 OD1 ASP A1750 2.086 22.455 111.795 1.00 28.36 O ATOM 451 OD2 ASP A1750 2.808 20.404 111.466 1.00 25.06 O ATOM 452 H ASP A1750 1.841 20.849 108.231 1.00 0.00 H ATOM 453 N ILE A1751 -1.338 18.693 110.235 1.00 13.94 N ATOM 454 CA ILE A1751 -2.724 18.351 109.943 1.00 13.78 C ATOM 455 C ILE A1751 -3.451 19.599 109.462 1.00 12.50 C ATOM 456 O ILE A1751 -3.392 20.661 110.096 1.00 12.71 O ATOM 457 CB ILE A1751 -3.411 17.741 111.174 1.00 17.33 C ATOM 458 CG1 ILE A1751 -2.710 16.450 111.606 1.00 20.48 C ATOM 459 CG2 ILE A1751 -4.880 17.473 110.880 1.00 20.41 C ATOM 460 CD1 ILE A1751 -3.487 15.605 112.609 1.00 23.41 C ATOM 461 H ILE A1751 -0.938 18.486 111.172 1.00 0.00 H ATOM 462 N GLY A1752 -4.107 19.487 108.316 1.00 12.03 N ATOM 463 CA GLY A1752 -4.848 20.579 107.737 1.00 9.45 C ATOM 464 C GLY A1752 -4.126 21.333 106.636 1.00 8.49 C ATOM 465 O GLY A1752 -4.782 22.053 105.872 1.00 12.27 O ATOM 466 H GLY A1752 -4.086 18.576 107.815 1.00 0.00 H ATOM 467 N GLN A1753 -2.752 21.204 106.540 1.00 8.73 N ATOM 468 CA GLN A1753 -2.117 21.919 105.445 1.00 9.49 C ATOM 469 C GLN A1753 -1.750 20.933 104.347 1.00 8.75 C ATOM 470 O GLN A1753 -1.367 19.795 104.641 1.00 9.76 O ATOM 471 CB GLN A1753 -0.850 22.631 105.933 1.00 13.88 C ATOM 472 CG GLN A1753 -0.057 23.429 104.869 1.00 18.38 C ATOM 473 CD GLN A1753 -0.697 24.771 104.491 1.00 21.22 C ATOM 474 OE1 GLN A1753 -1.827 25.061 104.865 1.00 20.37 O ATOM 475 NE2 GLN A1753 0.038 25.591 103.750 1.00 26.31 N ATOM 476 HE22 GLN A1753 0.993 25.308 103.453 1.00 0.00 H ATOM 477 HE21 GLN A1753 -0.342 26.517 103.467 1.00 0.00 H ATOM 478 H GLN A1753 -2.205 20.629 107.212 1.00 0.00 H ATOM 479 N PRO A1754 -1.895 21.305 103.078 1.00 9.05 N ATOM 480 CA PRO A1754 -1.497 20.395 102.011 1.00 9.19 C ATOM 481 C PRO A1754 -0.017 20.075 102.112 1.00 7.64 C ATOM 482 O PRO A1754 0.780 20.895 102.604 1.00 7.43 O ATOM 483 CB PRO A1754 -1.821 21.186 100.736 1.00 10.59 C ATOM 484 CG PRO A1754 -2.940 22.104 101.155 1.00 10.43 C ATOM 485 CD PRO A1754 -2.563 22.511 102.556 1.00 9.61 C ATOM 486 N PRO A1755 0.390 18.881 101.683 1.00 5.26 N ATOM 487 CA PRO A1755 1.809 18.509 101.782 1.00 4.92 C ATOM 488 C PRO A1755 2.676 19.433 100.941 1.00 5.40 C ATOM 489 O PRO A1755 2.310 19.825 99.829 1.00 5.55 O ATOM 490 CB PRO A1755 1.845 17.072 101.250 1.00 5.65 C ATOM 491 CG PRO A1755 0.568 16.924 100.438 1.00 6.00 C ATOM 492 CD PRO A1755 -0.435 17.803 101.114 1.00 6.15 C ATOM 493 N ARG A1756 3.831 19.782 101.506 1.00 4.90 N ATOM 494 CA ARG A1756 4.798 20.695 100.907 1.00 4.45 C ATOM 495 C ARG A1756 6.040 19.920 100.492 1.00 4.05 C ATOM 496 O ARG A1756 6.530 19.074 101.242 1.00 4.24 O ATOM 497 CB ARG A1756 5.225 21.762 101.921 1.00 5.37 C ATOM 498 CG ARG A1756 4.086 22.651 102.421 1.00 7.55 C ATOM 499 CD ARG A1756 4.436 23.306 103.746 1.00 11.45 C ATOM 500 NE ARG A1756 3.576 24.453 104.032 1.00 16.89 N ATOM 501 CZ ARG A1756 3.682 25.204 105.122 1.00 19.20 C ATOM 502 NH1 ARG A1756 4.603 24.915 106.036 1.00 20.43 N ATOM 503 NH2 ARG A1756 2.865 26.236 105.302 1.00 23.60 N ATOM 504 HE ARG A1756 2.837 24.695 103.341 1.00 0.00 H ATOM 505 HH12 ARG A1756 4.689 25.501 106.891 1.00 0.00 H ATOM 506 HH11 ARG A1756 5.238 24.103 105.896 1.00 0.00 H ATOM 507 HH22 ARG A1756 2.949 26.823 106.156 1.00 0.00 H ATOM 508 HH21 ARG A1756 2.141 26.457 104.589 1.00 0.00 H ATOM 509 H ARG A1756 4.058 19.376 102.436 1.00 0.00 H ATOM 510 N LEU A1757 6.554 20.223 99.304 1.00 3.66 N ATOM 511 CA LEU A1757 7.794 19.601 98.830 1.00 3.90 C ATOM 512 C LEU A1757 8.997 20.259 99.511 1.00 2.69 C ATOM 513 O LEU A1757 9.239 21.454 99.326 1.00 3.74 O ATOM 514 CB LEU A1757 7.887 19.744 97.313 1.00 2.76 C ATOM 515 CG LEU A1757 9.079 19.026 96.659 1.00 3.52 C ATOM 516 CD1 LEU A1757 8.969 17.507 96.845 1.00 4.70 C ATOM 517 CD2 LEU A1757 9.189 19.385 95.177 1.00 4.68 C ATOM 518 H LEU A1757 6.067 20.915 98.699 1.00 0.00 H ATOM 519 N ARG A1758 9.749 19.485 100.307 1.00 2.76 N ATOM 520 CA ARG A1758 10.861 20.039 101.078 1.00 2.81 C ATOM 521 C ARG A1758 12.238 19.533 100.661 1.00 1.90 C ATOM 522 O ARG A1758 13.240 20.122 101.078 1.00 2.92 O ATOM 523 CB ARG A1758 10.659 19.818 102.592 1.00 4.35 C ATOM 524 CG ARG A1758 10.979 18.416 103.066 1.00 5.86 C ATOM 525 CD ARG A1758 10.940 18.298 104.580 1.00 6.67 C ATOM 526 NE ARG A1758 11.682 17.124 105.022 1.00 6.81 N ATOM 527 CZ ARG A1758 11.834 16.755 106.290 1.00 7.96 C ATOM 528 NH1 ARG A1758 11.262 17.452 107.271 1.00 8.66 N ATOM 529 NH2 ARG A1758 12.562 15.677 106.570 1.00 8.02 N ATOM 530 HE ARG A1758 12.125 16.531 104.291 1.00 0.00 H ATOM 531 HH12 ARG A1758 11.386 17.156 108.260 1.00 0.00 H ATOM 532 HH11 ARG A1758 10.691 18.292 107.048 1.00 0.00 H ATOM 533 HH22 ARG A1758 12.689 15.377 107.558 1.00 0.00 H ATOM 534 HH21 ARG A1758 13.004 15.134 105.801 1.00 0.00 H ATOM 535 H ARG A1758 9.537 18.469 100.377 1.00 0.00 H ATOM 536 N ASN A1759 12.322 18.473 99.860 1.00 2.08 N ATOM 537 CA ASN A1759 13.619 17.968 99.405 1.00 1.55 C ATOM 538 C ASN A1759 13.430 17.210 98.101 1.00 1.69 C ATOM 539 O ASN A1759 12.518 16.385 97.989 1.00 2.39 O ATOM 540 CB ASN A1759 14.213 17.032 100.468 1.00 3.04 C ATOM 541 CG ASN A1759 15.578 16.461 100.077 1.00 2.97 C ATOM 542 OD1 ASN A1759 15.689 15.663 99.153 1.00 3.75 O ATOM 543 ND2 ASN A1759 16.613 16.835 100.825 1.00 4.93 N ATOM 544 HD22 ASN A1759 16.476 17.515 101.600 1.00 0.00 H ATOM 545 HD21 ASN A1759 17.559 16.447 100.635 1.00 0.00 H ATOM 546 H ASN A1759 11.451 17.995 99.552 1.00 0.00 H ATOM 547 N VAL A1760 14.287 17.492 97.125 1.00 2.13 N ATOM 548 CA VAL A1760 14.485 16.639 95.958 1.00 0.86 C ATOM 549 C VAL A1760 15.940 16.191 95.959 1.00 2.00 C ATOM 550 O VAL A1760 16.843 17.026 96.029 1.00 2.23 O ATOM 551 CB VAL A1760 14.199 17.397 94.649 1.00 1.79 C ATOM 552 CG1 VAL A1760 14.500 16.490 93.449 1.00 4.10 C ATOM 553 CG2 VAL A1760 12.759 17.916 94.595 1.00 2.83 C ATOM 554 H VAL A1760 14.846 18.366 97.197 1.00 0.00 H ATOM 555 N THR A1761 16.170 14.882 95.869 1.00 2.68 N ATOM 556 CA THR A1761 17.522 14.342 95.742 1.00 3.08 C ATOM 557 C THR A1761 17.523 13.339 94.600 1.00 2.68 C ATOM 558 O THR A1761 16.627 12.497 94.512 1.00 3.32 O ATOM 559 CB THR A1761 17.978 13.690 97.064 1.00 3.33 C ATOM 560 OG1 THR A1761 18.034 14.688 98.092 1.00 3.26 O ATOM 561 CG2 THR A1761 19.357 13.079 96.925 1.00 3.53 C ATOM 562 HG1 THR A1761 18.327 14.270 98.940 1.00 0.00 H ATOM 563 H THR A1761 15.364 14.225 95.890 1.00 0.00 H ATOM 564 N THR A1762 18.501 13.445 93.702 1.00 2.99 N ATOM 565 CA THR A1762 18.519 12.578 92.531 1.00 2.64 C ATOM 566 C THR A1762 19.959 12.270 92.163 1.00 2.18 C ATOM 567 O THR A1762 20.882 13.005 92.524 1.00 2.17 O ATOM 568 CB THR A1762 17.779 13.233 91.351 1.00 2.25 C ATOM 569 OG1 THR A1762 17.818 12.383 90.197 1.00 3.26 O ATOM 570 CG2 THR A1762 18.379 14.591 91.003 1.00 3.80 C ATOM 571 HG1 THR A1762 17.383 11.520 90.410 1.00 0.00 H ATOM 572 H THR A1762 19.254 14.149 93.837 1.00 0.00 H ATOM 573 N ASN A1763 20.141 11.163 91.444 1.00 2.55 N ATOM 574 CA ASN A1763 21.432 10.862 90.845 1.00 3.83 C ATOM 575 C ASN A1763 21.552 11.376 89.421 1.00 3.20 C ATOM 576 O ASN A1763 22.546 11.070 88.748 1.00 5.10 O ATOM 577 CB ASN A1763 21.734 9.360 90.927 1.00 3.69 C ATOM 578 CG ASN A1763 20.817 8.511 90.043 1.00 3.53 C ATOM 579 OD1 ASN A1763 19.854 8.993 89.450 1.00 3.04 O ATOM 580 ND2 ASN A1763 21.120 7.224 89.970 1.00 7.90 N ATOM 581 HD22 ASN A1763 21.943 6.853 90.486 1.00 0.00 H ATOM 582 HD21 ASN A1763 20.535 6.584 89.396 1.00 0.00 H ATOM 583 H ASN A1763 19.348 10.504 91.309 1.00 0.00 H ATOM 584 N CYS A1764 20.588 12.173 88.954 1.00 3.26 N ATOM 585 CA CYS A1764 20.672 12.774 87.622 1.00 3.54 C ATOM 586 C CYS A1764 21.550 14.017 87.705 1.00 3.89 C ATOM 587 O CYS A1764 21.089 15.118 88.013 1.00 6.98 O ATOM 588 CB CYS A1764 19.285 13.122 87.096 1.00 5.69 C ATOM 589 SG CYS A1764 19.325 13.881 85.459 1.00 6.94 S ATOM 590 H CYS A1764 19.759 12.371 89.550 1.00 0.00 H ATOM 591 N GLN A1765 22.837 13.856 87.414 1.00 3.39 N ATOM 592 CA GLN A1765 23.756 14.982 87.538 1.00 3.28 C ATOM 593 C GLN A1765 23.862 15.793 86.255 1.00 3.43 C ATOM 594 O GLN A1765 24.020 17.015 86.311 1.00 4.40 O ATOM 595 CB GLN A1765 25.137 14.467 87.918 1.00 4.28 C ATOM 596 CG GLN A1765 26.187 15.551 88.064 1.00 6.04 C ATOM 597 CD GLN A1765 27.428 15.006 88.719 1.00 7.29 C ATOM 598 OE1 GLN A1765 27.585 15.073 89.939 1.00 8.14 O ATOM 599 NE2 GLN A1765 28.299 14.411 87.916 1.00 7.98 N ATOM 600 HE22 GLN A1765 28.124 14.379 86.891 1.00 0.00 H ATOM 601 HE21 GLN A1765 29.157 13.976 88.311 1.00 0.00 H ATOM 602 H GLN A1765 23.188 12.929 87.099 1.00 0.00 H ATOM 603 N SER A1766 23.788 15.135 85.099 1.00 4.17 N ATOM 604 CA SER A1766 24.093 15.816 83.845 1.00 5.36 C ATOM 605 C SER A1766 22.972 16.748 83.388 1.00 3.80 C ATOM 606 O SER A1766 23.238 17.702 82.651 1.00 3.35 O ATOM 607 CB SER A1766 24.437 14.802 82.760 1.00 11.32 C ATOM 608 OG SER A1766 23.455 13.783 82.711 1.00 18.80 O ATOM 609 HG SER A1766 23.417 13.321 83.586 1.00 0.00 H ATOM 610 H SER A1766 23.512 14.132 85.090 1.00 0.00 H ATOM 611 N SER A1767 21.719 16.489 83.788 1.00 3.03 N ATOM 612 CA SER A1767 20.606 17.339 83.361 1.00 2.90 C ATOM 613 C SER A1767 19.398 17.208 84.281 1.00 2.50 C ATOM 614 O SER A1767 18.305 16.831 83.825 1.00 3.91 O ATOM 615 CB SER A1767 20.212 17.009 81.921 1.00 4.57 C ATOM 616 OG SER A1767 19.924 15.627 81.762 1.00 8.00 O ATOM 617 HG SER A1767 19.174 15.377 82.357 1.00 0.00 H ATOM 618 H SER A1767 21.535 15.675 84.409 1.00 0.00 H ATOM 619 N PRO A1768 19.533 17.554 85.566 1.00 2.33 N ATOM 620 CA PRO A1768 18.418 17.346 86.505 1.00 1.87 C ATOM 621 C PRO A1768 17.186 18.163 86.177 1.00 1.50 C ATOM 622 O PRO A1768 16.086 17.795 86.612 1.00 2.27 O ATOM 623 CB PRO A1768 19.017 17.753 87.859 1.00 3.21 C ATOM 624 CG PRO A1768 20.157 18.677 87.500 1.00 3.07 C ATOM 625 CD PRO A1768 20.727 18.085 86.248 1.00 3.16 C ATOM 626 N TRP A1769 17.338 19.262 85.429 1.00 2.46 N ATOM 627 CA TRP A1769 16.187 20.030 84.968 1.00 2.08 C ATOM 628 C TRP A1769 15.214 19.184 84.164 1.00 2.85 C ATOM 629 O TRP A1769 14.023 19.520 84.108 1.00 4.02 O ATOM 630 CB TRP A1769 16.662 21.245 84.170 1.00 3.08 C ATOM 631 CG TRP A1769 17.827 20.981 83.234 1.00 2.76 C ATOM 632 CD1 TRP A1769 17.757 20.595 81.926 1.00 4.40 C ATOM 633 CD2 TRP A1769 19.223 21.121 83.534 1.00 2.49 C ATOM 634 NE1 TRP A1769 19.027 20.481 81.391 1.00 3.21 N ATOM 635 CE2 TRP A1769 19.943 20.804 82.357 1.00 3.46 C ATOM 636 CE3 TRP A1769 19.935 21.484 84.684 1.00 3.11 C ATOM 637 CZ2 TRP A1769 21.340 20.829 82.306 1.00 2.87 C ATOM 638 CZ3 TRP A1769 21.321 21.506 84.628 1.00 2.65 C ATOM 639 CH2 TRP A1769 22.005 21.182 83.444 1.00 3.43 C ATOM 640 HE1 TRP A1769 19.250 20.197 80.416 1.00 0.00 H ATOM 641 H TRP A1769 18.296 19.575 85.171 1.00 0.00 H ATOM 642 N ASP A1770 15.680 18.087 83.560 1.00 3.88 N ATOM 643 CA ASP A1770 14.780 17.173 82.861 1.00 4.14 C ATOM 644 C ASP A1770 13.804 16.478 83.799 1.00 4.51 C ATOM 645 O ASP A1770 12.833 15.880 83.324 1.00 6.42 O ATOM 646 CB ASP A1770 15.571 16.119 82.089 1.00 9.64 C ATOM 647 CG ASP A1770 16.304 16.695 80.895 1.00 14.79 C ATOM 648 OD1 ASP A1770 15.964 17.810 80.437 1.00 18.12 O ATOM 649 OD2 ASP A1770 17.214 16.009 80.403 1.00 16.48 O ATOM 650 H ASP A1770 16.699 17.881 83.588 1.00 0.00 H ATOM 651 N LEU A1771 14.020 16.552 85.107 1.00 3.06 N ATOM 652 CA LEU A1771 13.091 15.951 86.051 1.00 3.40 C ATOM 653 C LEU A1771 11.973 16.888 86.474 1.00 3.38 C ATOM 654 O LEU A1771 11.046 16.438 87.158 1.00 3.24 O ATOM 655 CB LEU A1771 13.840 15.485 87.295 1.00 6.64 C ATOM 656 CG LEU A1771 14.904 14.428 87.028 1.00 9.27 C ATOM 657 CD1 LEU A1771 15.733 14.192 88.275 1.00 11.52 C ATOM 658 CD2 LEU A1771 14.261 13.136 86.552 1.00 9.42 C ATOM 659 H LEU A1771 14.864 17.046 85.461 1.00 0.00 H ATOM 660 N SER A1772 12.015 18.162 86.070 1.00 3.17 N ATOM 661 CA SER A1772 10.990 19.103 86.525 1.00 3.21 C ATOM 662 C SER A1772 9.600 18.678 86.089 1.00 4.67 C ATOM 663 O SER A1772 8.660 18.740 86.886 1.00 5.14 O ATOM 664 CB SER A1772 11.305 20.511 86.031 1.00 4.49 C ATOM 665 OG SER A1772 12.537 20.944 86.591 1.00 6.54 O ATOM 666 HG SER A1772 12.741 21.858 86.270 1.00 0.00 H ATOM 667 H SER A1772 12.773 18.483 85.435 1.00 0.00 H ATOM 668 N ILE A1773 9.453 18.233 84.839 1.00 4.72 N ATOM 669 CA ILE A1773 8.136 17.796 84.362 1.00 4.55 C ATOM 670 C ILE A1773 7.610 16.589 85.130 1.00 3.46 C ATOM 671 O ILE A1773 6.472 16.649 85.630 1.00 4.12 O ATOM 672 CB ILE A1773 8.141 17.627 82.831 1.00 7.05 C ATOM 673 CG1 ILE A1773 8.143 18.992 82.141 1.00 8.77 C ATOM 674 CG2 ILE A1773 6.946 16.786 82.373 1.00 8.90 C ATOM 675 CD1 ILE A1773 8.485 18.938 80.664 1.00 10.66 C ATOM 676 H ILE A1773 10.274 18.196 84.202 1.00 0.00 H ATOM 677 N PRO A1774 8.348 15.480 85.266 1.00 2.98 N ATOM 678 CA PRO A1774 7.775 14.363 86.031 1.00 3.00 C ATOM 679 C PRO A1774 7.602 14.661 87.509 1.00 2.85 C ATOM 680 O PRO A1774 6.655 14.147 88.115 1.00 2.66 O ATOM 681 CB PRO A1774 8.727 13.187 85.759 1.00 3.23 C ATOM 682 CG PRO A1774 10.015 13.838 85.298 1.00 3.12 C ATOM 683 CD PRO A1774 9.575 15.068 84.546 1.00 3.24 C ATOM 684 N ILE A1775 8.455 15.495 88.113 1.00 3.15 N ATOM 685 CA ILE A1775 8.215 15.884 89.502 1.00 2.56 C ATOM 686 C ILE A1775 6.932 16.701 89.615 1.00 1.63 C ATOM 687 O ILE A1775 6.125 16.476 90.523 1.00 2.80 O ATOM 688 CB ILE A1775 9.437 16.602 90.107 1.00 3.54 C ATOM 689 CG1 ILE A1775 10.594 15.615 90.267 1.00 2.14 C ATOM 690 CG2 ILE A1775 9.080 17.217 91.459 1.00 4.49 C ATOM 691 CD1 ILE A1775 11.927 16.289 90.590 1.00 4.91 C ATOM 692 H ILE A1775 9.281 15.863 87.600 1.00 0.00 H ATOM 693 N ARG A1776 6.713 17.644 88.693 1.00 2.58 N ATOM 694 CA ARG A1776 5.466 18.408 88.713 1.00 3.39 C ATOM 695 C ARG A1776 4.262 17.484 88.616 1.00 2.59 C ATOM 696 O ARG A1776 3.260 17.676 89.320 1.00 3.67 O ATOM 697 CB ARG A1776 5.412 19.428 87.571 1.00 4.87 C ATOM 698 CG ARG A1776 4.109 20.266 87.611 1.00 7.13 C ATOM 699 CD ARG A1776 3.618 20.794 86.255 1.00 12.40 C ATOM 700 NE ARG A1776 3.284 19.726 85.314 1.00 11.69 N ATOM 701 CZ ARG A1776 2.151 19.021 85.310 1.00 12.02 C ATOM 702 NH1 ARG A1776 1.190 19.251 86.203 1.00 10.79 N ATOM 703 NH2 ARG A1776 1.984 18.070 84.396 1.00 10.27 N ATOM 704 HE ARG A1776 3.990 19.496 84.586 1.00 0.00 H ATOM 705 HH12 ARG A1776 0.315 18.689 86.181 1.00 0.00 H ATOM 706 HH11 ARG A1776 1.315 19.992 86.922 1.00 0.00 H ATOM 707 HH22 ARG A1776 1.106 17.512 84.380 1.00 0.00 H ATOM 708 HH21 ARG A1776 2.731 17.884 83.697 1.00 0.00 H ATOM 709 H ARG A1776 7.428 17.834 87.962 1.00 0.00 H ATOM 710 N GLN A1777 4.340 16.471 87.751 1.00 2.49 N ATOM 711 CA GLN A1777 3.199 15.579 87.582 1.00 2.38 C ATOM 712 C GLN A1777 2.990 14.714 88.812 1.00 2.26 C ATOM 713 O GLN A1777 1.851 14.514 89.252 1.00 3.01 O ATOM 714 CB GLN A1777 3.372 14.702 86.343 1.00 3.35 C ATOM 715 CG GLN A1777 2.091 13.937 86.038 1.00 6.35 C ATOM 716 CD GLN A1777 0.935 14.880 85.795 1.00 7.63 C ATOM 717 OE1 GLN A1777 0.969 15.691 84.868 1.00 10.18 O ATOM 718 NE2 GLN A1777 -0.091 14.795 86.641 1.00 6.41 N ATOM 719 HE22 GLN A1777 -0.075 14.094 87.409 1.00 0.00 H ATOM 720 HE21 GLN A1777 -0.908 15.430 86.533 1.00 0.00 H ATOM 721 H GLN A1777 5.209 16.319 87.201 1.00 0.00 H ATOM 722 N TRP A1778 4.082 14.191 89.380 1.00 2.22 N ATOM 723 CA TRP A1778 3.997 13.456 90.636 1.00 2.75 C ATOM 724 C TRP A1778 3.321 14.301 91.708 1.00 3.37 C ATOM 725 O TRP A1778 2.427 13.835 92.430 1.00 3.72 O ATOM 726 CB TRP A1778 5.414 13.070 91.072 1.00 3.11 C ATOM 727 CG TRP A1778 5.466 12.394 92.392 1.00 2.91 C ATOM 728 CD1 TRP A1778 5.377 11.050 92.624 1.00 4.38 C ATOM 729 CD2 TRP A1778 5.630 13.010 93.669 1.00 4.53 C ATOM 730 NE1 TRP A1778 5.465 10.793 93.973 1.00 4.79 N ATOM 731 CE2 TRP A1778 5.624 11.978 94.636 1.00 4.75 C ATOM 732 CE3 TRP A1778 5.795 14.332 94.093 1.00 5.19 C ATOM 733 CZ2 TRP A1778 5.766 12.228 95.994 1.00 7.20 C ATOM 734 CZ3 TRP A1778 5.937 14.575 95.453 1.00 7.30 C ATOM 735 CH2 TRP A1778 5.913 13.531 96.382 1.00 7.38 C ATOM 736 HE1 TRP A1778 5.418 9.853 94.415 1.00 0.00 H ATOM 737 H TRP A1778 5.006 14.311 88.918 1.00 0.00 H ATOM 738 N ALA A1779 3.728 15.562 91.802 1.00 2.44 N ATOM 739 CA ALA A1779 3.189 16.449 92.821 1.00 2.33 C ATOM 740 C ALA A1779 1.728 16.772 92.557 1.00 2.51 C ATOM 741 O ALA A1779 0.928 16.840 93.500 1.00 4.12 O ATOM 742 CB ALA A1779 4.022 17.721 92.870 1.00 2.20 C ATOM 743 H ALA A1779 4.443 15.920 91.137 1.00 0.00 H ATOM 744 N GLU A1780 1.359 16.979 91.286 1.00 3.38 N ATOM 745 CA GLU A1780 -0.055 17.188 90.973 1.00 4.13 C ATOM 746 C GLU A1780 -0.886 16.004 91.448 1.00 3.63 C ATOM 747 O GLU A1780 -1.883 16.179 92.160 1.00 4.20 O ATOM 748 CB GLU A1780 -0.271 17.440 89.475 1.00 4.47 C ATOM 749 CG GLU A1780 -1.708 17.908 89.202 1.00 4.62 C ATOM 750 CD GLU A1780 -2.081 18.011 87.735 1.00 7.54 C ATOM 751 OE1 GLU A1780 -1.324 17.525 86.864 1.00 9.82 O ATOM 752 OE2 GLU A1780 -3.163 18.575 87.450 1.00 8.55 O ATOM 753 H GLU A1780 2.071 16.991 90.528 1.00 0.00 H ATOM 754 N ASP A1781 -0.469 14.785 91.083 1.00 4.95 N ATOM 755 CA ASP A1781 -1.182 13.584 91.507 1.00 5.87 C ATOM 756 C ASP A1781 -1.335 13.543 93.023 1.00 6.60 C ATOM 757 O ASP A1781 -2.388 13.150 93.538 1.00 9.93 O ATOM 758 CB ASP A1781 -0.431 12.327 91.050 1.00 7.57 C ATOM 759 CG ASP A1781 -0.325 12.190 89.536 1.00 9.12 C ATOM 760 OD1 ASP A1781 0.451 11.312 89.083 1.00 12.73 O ATOM 761 OD2 ASP A1781 -0.995 12.928 88.796 1.00 8.34 O ATOM 762 H ASP A1781 0.378 14.692 90.487 1.00 0.00 H HETATM 763 N MSE A1782 -0.286 13.930 93.750 1.00 7.29 N HETATM 764 CA MSE A1782 -0.269 13.843 95.215 1.00 8.82 C HETATM 765 C MSE A1782 -0.851 15.036 95.970 1.00 10.49 C HETATM 766 O MSE A1782 -0.946 14.991 97.200 1.00 13.23 O HETATM 767 CB MSE A1782 1.161 13.615 95.716 1.00 10.65 C HETATM 768 CG MSE A1782 1.759 12.321 95.251 1.00 15.48 C HETATM 769 SE MSE A1782 1.087 10.874 96.370 1.00 17.95 S HETATM 770 CE MSE A1782 1.142 11.736 98.090 1.00 19.77 C HETATM 771 H MSE A1782 0.551 14.307 93.261 1.00 0.00 H ATOM 772 N GLY A1783 -1.225 16.098 95.257 1.00 6.12 N ATOM 773 CA GLY A1783 -1.643 17.316 95.932 1.00 5.10 C ATOM 774 C GLY A1783 -0.525 18.045 96.652 1.00 5.68 C ATOM 775 O GLY A1783 -0.784 18.798 97.598 1.00 7.78 O ATOM 776 H GLY A1783 -1.218 16.056 94.218 1.00 0.00 H ATOM 777 N VAL A1784 0.711 17.858 96.213 1.00 4.23 N ATOM 778 CA VAL A1784 1.880 18.443 96.864 1.00 3.86 C ATOM 779 C VAL A1784 2.165 19.811 96.262 1.00 4.35 C ATOM 780 O VAL A1784 2.176 19.972 95.036 1.00 5.88 O ATOM 781 CB VAL A1784 3.092 17.513 96.697 1.00 4.27 C ATOM 782 CG1 VAL A1784 4.395 18.223 97.115 1.00 5.09 C ATOM 783 CG2 VAL A1784 2.876 16.223 97.486 1.00 4.30 C ATOM 784 H VAL A1784 0.855 17.269 95.368 1.00 0.00 H ATOM 785 N THR A1785 2.423 20.794 97.123 1.00 3.34 N ATOM 786 CA THR A1785 2.712 22.157 96.710 1.00 3.42 C ATOM 787 C THR A1785 4.209 22.445 96.752 1.00 3.08 C ATOM 788 O THR A1785 4.987 21.758 97.421 1.00 4.28 O ATOM 789 CB THR A1785 1.991 23.149 97.626 1.00 5.73 C ATOM 790 OG1 THR A1785 2.498 23.017 98.958 1.00 6.88 O ATOM 791 CG2 THR A1785 0.490 22.869 97.627 1.00 6.60 C ATOM 792 HG1 THR A1785 3.469 23.208 98.961 1.00 0.00 H ATOM 793 H THR A1785 2.417 20.576 98.140 1.00 0.00 H ATOM 794 N ASN A1786 4.596 23.498 96.038 1.00 3.89 N ATOM 795 CA ASN A1786 5.993 23.919 95.928 1.00 3.79 C ATOM 796 C ASN A1786 6.077 25.445 95.998 1.00 4.68 C ATOM 797 O ASN A1786 6.774 26.095 95.218 1.00 5.12 O ATOM 798 CB ASN A1786 6.629 23.300 94.674 1.00 3.43 C ATOM 799 CG ASN A1786 8.094 23.650 94.496 1.00 2.56 C ATOM 800 OD1 ASN A1786 8.532 23.841 93.365 1.00 1.99 O ATOM 801 ND2 ASN A1786 8.857 23.719 95.592 1.00 2.36 N ATOM 802 HD22 ASN A1786 8.438 23.549 96.529 1.00 0.00 H ATOM 803 HD21 ASN A1786 9.869 23.943 95.508 1.00 0.00 H ATOM 804 H ASN A1786 3.872 24.048 95.534 1.00 0.00 H ATOM 805 N ASN A1787 5.353 26.033 96.964 1.00 5.27 N ATOM 806 CA ASN A1787 5.454 27.464 97.252 1.00 6.32 C ATOM 807 C ASN A1787 6.359 27.770 98.430 1.00 5.63 C ATOM 808 O ASN A1787 6.891 28.885 98.514 1.00 9.40 O ATOM 809 CB ASN A1787 4.081 28.041 97.619 1.00 10.21 C ATOM 810 CG ASN A1787 3.000 27.590 96.690 1.00 15.26 C ATOM 811 OD1 ASN A1787 3.164 27.614 95.468 1.00 17.51 O ATOM 812 ND2 ASN A1787 1.882 27.153 97.259 1.00 18.67 N ATOM 813 HD22 ASN A1787 1.792 27.153 98.295 1.00 0.00 H ATOM 814 HD21 ASN A1787 1.097 26.811 96.668 1.00 0.00 H ATOM 815 H ASN A1787 4.699 25.452 97.526 1.00 0.00 H ATOM 816 N GLN A1788 6.536 26.813 99.331 1.00 6.82 N ATOM 817 CA GLN A1788 7.211 27.048 100.599 1.00 6.70 C ATOM 818 C GLN A1788 8.717 27.146 100.401 1.00 6.44 C ATOM 819 O GLN A1788 9.323 26.357 99.666 1.00 5.94 O ATOM 820 CB GLN A1788 6.902 25.895 101.555 1.00 10.11 C ATOM 821 CG GLN A1788 7.442 26.074 102.962 1.00 13.23 C ATOM 822 CD GLN A1788 6.646 27.076 103.775 1.00 19.52 C ATOM 823 OE1 GLN A1788 5.546 27.482 103.386 1.00 22.05 O ATOM 824 NE2 GLN A1788 7.197 27.480 104.911 1.00 19.57 N ATOM 825 HE22 GLN A1788 8.126 27.111 105.199 1.00 0.00 H ATOM 826 HE21 GLN A1788 6.701 28.166 105.515 1.00 0.00 H ATOM 827 H GLN A1788 6.179 25.858 99.124 1.00 0.00 H ATOM 828 N ASP A1789 9.326 28.115 101.075 1.00 6.28 N ATOM 829 CA ASP A1789 10.765 28.314 101.006 1.00 4.63 C ATOM 830 C ASP A1789 11.424 27.533 102.138 1.00 5.72 C ATOM 831 O ASP A1789 11.127 27.763 103.315 1.00 9.70 O ATOM 832 CB ASP A1789 11.079 29.799 101.154 1.00 6.25 C ATOM 833 CG ASP A1789 12.559 30.086 101.135 1.00 7.82 C ATOM 834 OD1 ASP A1789 13.330 29.295 100.548 1.00 6.30 O ATOM 835 OD2 ASP A1789 12.948 31.126 101.698 1.00 9.72 O ATOM 836 H ASP A1789 8.757 28.750 101.670 1.00 0.00 H ATOM 837 N TYR A1790 12.327 26.624 101.783 1.00 4.45 N ATOM 838 CA TYR A1790 13.100 25.861 102.752 1.00 6.09 C ATOM 839 C TYR A1790 14.561 26.273 102.788 1.00 5.87 C ATOM 840 O TYR A1790 15.381 25.562 103.376 1.00 8.55 O ATOM 841 CB TYR A1790 12.973 24.361 102.471 1.00 5.52 C ATOM 842 CG TYR A1790 11.619 23.831 102.860 1.00 5.18 C ATOM 843 CD1 TYR A1790 11.340 23.497 104.178 1.00 6.47 C ATOM 844 CD2 TYR A1790 10.610 23.691 101.921 1.00 6.63 C ATOM 845 CE1 TYR A1790 10.096 23.031 104.545 1.00 5.95 C ATOM 846 CE2 TYR A1790 9.368 23.222 102.277 1.00 5.79 C ATOM 847 CZ TYR A1790 9.114 22.893 103.587 1.00 6.83 C ATOM 848 OH TYR A1790 7.876 22.425 103.942 1.00 10.60 O ATOM 849 HH TYR A1790 7.862 22.237 104.914 1.00 0.00 H ATOM 850 H TYR A1790 12.488 26.451 100.770 1.00 0.00 H ATOM 851 N SER A1791 14.910 27.407 102.177 1.00 6.42 N ATOM 852 CA SER A1791 16.323 27.742 102.015 1.00 8.36 C ATOM 853 C SER A1791 17.044 27.923 103.347 1.00 10.99 C ATOM 854 O SER A1791 18.240 27.622 103.447 1.00 15.84 O ATOM 855 CB SER A1791 16.492 28.974 101.122 1.00 8.71 C ATOM 856 OG SER A1791 15.857 30.113 101.665 1.00 8.72 O ATOM 857 HG SER A1791 14.889 29.933 101.765 1.00 0.00 H ATOM 858 H SER A1791 14.177 28.051 101.817 1.00 0.00 H ATOM 859 N SER A1792 16.361 28.402 104.379 1.00 10.77 N ATOM 860 CA SER A1792 17.035 28.531 105.666 1.00 16.24 C ATOM 861 C SER A1792 16.947 27.269 106.517 1.00 15.47 C ATOM 862 O SER A1792 17.618 27.191 107.553 1.00 17.11 O ATOM 863 CB SER A1792 16.523 29.752 106.442 1.00 19.14 C ATOM 864 OG SER A1792 15.137 29.651 106.706 1.00 23.92 O ATOM 865 HG SER A1792 14.643 29.592 105.850 1.00 0.00 H ATOM 866 H SER A1792 15.365 28.680 104.272 1.00 0.00 H ATOM 867 N LYS A1793 16.161 26.279 106.095 1.00 11.03 N ATOM 868 CA LYS A1793 15.954 25.045 106.842 1.00 11.94 C ATOM 869 C LYS A1793 16.592 23.841 106.166 1.00 10.47 C ATOM 870 O LYS A1793 16.282 22.701 106.528 1.00 14.95 O ATOM 871 CB LYS A1793 14.458 24.787 107.020 1.00 15.08 C ATOM 872 CG LYS A1793 13.671 25.984 107.522 1.00 21.57 C ATOM 873 CD LYS A1793 12.179 25.810 107.243 1.00 27.24 C ATOM 874 CE LYS A1793 11.601 27.060 106.589 1.00 30.19 C ATOM 875 NZ LYS A1793 10.290 26.825 105.913 1.00 32.33 N ATOM 876 HZ1 LYS A1793 10.409 26.109 105.168 1.00 0.00 H ATOM 877 HZ2 LYS A1793 9.597 26.489 106.611 1.00 0.00 H ATOM 878 HZ3 LYS A1793 9.955 27.714 105.491 1.00 0.00 H ATOM 879 H LYS A1793 15.670 26.393 105.185 1.00 0.00 H ATOM 880 N SER A1794 17.462 24.061 105.187 1.00 8.00 N ATOM 881 CA SER A1794 18.019 22.990 104.381 1.00 6.31 C ATOM 882 C SER A1794 19.528 22.913 104.569 1.00 6.96 C ATOM 883 O SER A1794 20.204 23.927 104.768 1.00 9.32 O ATOM 884 CB SER A1794 17.702 23.222 102.904 1.00 6.72 C ATOM 885 OG SER A1794 16.298 23.256 102.711 1.00 8.03 O ATOM 886 HG SER A1794 15.910 23.992 103.248 1.00 0.00 H ATOM 887 H SER A1794 17.756 25.039 104.990 1.00 0.00 H ATOM 888 N SER A1795 20.054 21.699 104.488 1.00 7.53 N ATOM 889 CA SER A1795 21.492 21.509 104.590 1.00 9.23 C ATOM 890 C SER A1795 22.196 22.138 103.394 1.00 7.02 C ATOM 891 O SER A1795 21.676 22.161 102.274 1.00 5.81 O ATOM 892 CB SER A1795 21.816 20.020 104.627 1.00 15.10 C ATOM 893 OG SER A1795 21.228 19.407 105.756 1.00 20.41 O ATOM 894 HG SER A1795 21.451 18.442 105.760 1.00 0.00 H ATOM 895 H SER A1795 19.433 20.876 104.350 1.00 0.00 H ATOM 896 N ARG A1796 23.395 22.650 103.642 1.00 6.80 N ATOM 897 CA ARG A1796 24.200 23.182 102.556 1.00 6.17 C ATOM 898 C ARG A1796 24.521 22.090 101.544 1.00 6.22 C ATOM 899 O ARG A1796 24.537 20.896 101.852 1.00 9.91 O ATOM 900 CB ARG A1796 25.496 23.754 103.106 1.00 6.62 C ATOM 901 CG ARG A1796 25.225 24.977 103.881 1.00 10.24 C ATOM 902 CD ARG A1796 26.477 25.715 104.186 1.00 13.42 C ATOM 903 NE ARG A1796 26.132 27.067 104.577 1.00 16.42 N ATOM 904 CZ ARG A1796 27.019 28.013 104.847 1.00 13.97 C ATOM 905 NH1 ARG A1796 28.320 27.753 104.752 1.00 13.66 N ATOM 906 NH2 ARG A1796 26.599 29.219 105.195 1.00 14.58 N ATOM 907 HE ARG A1796 25.123 27.310 104.650 1.00 0.00 H ATOM 908 HH12 ARG A1796 29.016 28.496 104.964 1.00 0.00 H ATOM 909 HH11 ARG A1796 28.642 26.806 104.466 1.00 0.00 H ATOM 910 HH22 ARG A1796 27.288 29.968 105.409 1.00 0.00 H ATOM 911 HH21 ARG A1796 25.580 29.418 105.255 1.00 0.00 H ATOM 912 H ARG A1796 23.759 22.670 104.616 1.00 0.00 H ATOM 913 N GLY A1797 24.773 22.517 100.311 1.00 6.32 N ATOM 914 CA GLY A1797 25.130 21.598 99.255 1.00 6.18 C ATOM 915 C GLY A1797 24.110 21.462 98.153 1.00 5.34 C ATOM 916 O GLY A1797 24.358 20.704 97.212 1.00 5.24 O ATOM 917 H GLY A1797 24.712 23.534 100.102 1.00 0.00 H ATOM 918 N ALA A1798 22.961 22.134 98.245 1.00 4.28 N ATOM 919 CA ALA A1798 21.989 22.065 97.162 1.00 3.71 C ATOM 920 C ALA A1798 22.623 22.621 95.896 1.00 2.49 C ATOM 921 O ALA A1798 23.403 23.575 95.937 1.00 5.14 O ATOM 922 CB ALA A1798 20.736 22.867 97.523 1.00 3.92 C ATOM 923 H ALA A1798 22.759 22.707 99.089 1.00 0.00 H ATOM 924 N ARG A1799 22.317 21.999 94.765 1.00 1.53 N ATOM 925 CA ARG A1799 22.849 22.459 93.490 1.00 1.60 C ATOM 926 C ARG A1799 21.829 23.236 92.673 1.00 1.35 C ATOM 927 O ARG A1799 22.221 23.997 91.778 1.00 2.92 O ATOM 928 CB ARG A1799 23.406 21.278 92.677 1.00 2.58 C ATOM 929 CG ARG A1799 24.530 20.576 93.416 1.00 4.56 C ATOM 930 CD ARG A1799 25.329 19.676 92.526 1.00 4.55 C ATOM 931 NE ARG A1799 26.013 18.698 93.360 1.00 4.75 N ATOM 932 CZ ARG A1799 26.691 17.659 92.895 1.00 5.92 C ATOM 933 NH1 ARG A1799 26.806 17.476 91.587 1.00 5.88 N ATOM 934 NH2 ARG A1799 27.238 16.797 93.742 1.00 7.14 N ATOM 935 HE ARG A1799 25.966 18.824 94.391 1.00 0.00 H ATOM 936 HH12 ARG A1799 27.338 16.661 91.221 1.00 0.00 H ATOM 937 HH11 ARG A1799 26.364 18.148 90.927 1.00 0.00 H ATOM 938 HH22 ARG A1799 27.771 15.980 93.381 1.00 0.00 H ATOM 939 HH21 ARG A1799 27.134 16.938 94.767 1.00 0.00 H ATOM 940 H ARG A1799 21.688 21.171 94.789 1.00 0.00 H ATOM 941 N TYR A1800 20.540 23.081 92.987 1.00 1.97 N ATOM 942 CA TYR A1800 19.461 23.800 92.323 1.00 1.35 C ATOM 943 C TYR A1800 18.377 24.030 93.354 1.00 1.03 C ATOM 944 O TYR A1800 18.398 23.463 94.455 1.00 1.43 O ATOM 945 CB TYR A1800 18.875 23.019 91.130 1.00 2.11 C ATOM 946 CG TYR A1800 19.941 22.514 90.196 1.00 1.60 C ATOM 947 CD1 TYR A1800 20.580 21.301 90.448 1.00 2.64 C ATOM 948 CD2 TYR A1800 20.369 23.272 89.109 1.00 4.12 C ATOM 949 CE1 TYR A1800 21.616 20.849 89.636 1.00 1.96 C ATOM 950 CE2 TYR A1800 21.391 22.816 88.280 1.00 5.27 C ATOM 951 CZ TYR A1800 22.000 21.603 88.551 1.00 3.76 C ATOM 952 OH TYR A1800 23.018 21.145 87.742 1.00 5.80 O ATOM 953 HH TYR A1800 23.336 20.270 88.078 1.00 0.00 H ATOM 954 H TYR A1800 20.294 22.412 93.745 1.00 0.00 H ATOM 955 N TRP A1801 17.412 24.870 92.978 1.00 1.06 N ATOM 956 CA TRP A1801 16.266 25.182 93.815 1.00 1.58 C ATOM 957 C TRP A1801 15.017 25.071 92.965 1.00 1.93 C ATOM 958 O TRP A1801 14.967 25.604 91.850 1.00 3.13 O ATOM 959 CB TRP A1801 16.399 26.594 94.406 1.00 1.29 C ATOM 960 CG TRP A1801 17.505 26.634 95.353 1.00 2.13 C ATOM 961 CD1 TRP A1801 18.808 26.899 95.069 1.00 1.94 C ATOM 962 CD2 TRP A1801 17.439 26.342 96.751 1.00 1.81 C ATOM 963 NE1 TRP A1801 19.569 26.804 96.216 1.00 4.08 N ATOM 964 CE2 TRP A1801 18.752 26.464 97.262 1.00 2.29 C ATOM 965 CE3 TRP A1801 16.396 26.006 97.629 1.00 3.02 C ATOM 966 CZ2 TRP A1801 19.054 26.259 98.609 1.00 3.41 C ATOM 967 CZ3 TRP A1801 16.697 25.791 98.967 1.00 3.92 C ATOM 968 CH2 TRP A1801 18.017 25.925 99.442 1.00 3.68 C ATOM 969 HE1 TRP A1801 20.595 26.964 96.277 1.00 0.00 H ATOM 970 H TRP A1801 17.483 25.322 92.044 1.00 0.00 H HETATM 971 N MSE A1802 14.010 24.400 93.503 1.00 2.34 N HETATM 972 CA MSE A1802 12.748 24.247 92.800 1.00 2.51 C HETATM 973 C MSE A1802 11.687 25.096 93.478 1.00 3.15 C HETATM 974 O MSE A1802 11.493 25.008 94.689 1.00 4.19 O HETATM 975 CB MSE A1802 12.330 22.776 92.771 1.00 4.85 C HETATM 976 CG MSE A1802 11.071 22.524 91.970 1.00 5.94 C HETATM 977 SE MSE A1802 10.651 20.649 91.730 1.00 12.78 S HETATM 978 CE MSE A1802 11.576 20.336 90.046 1.00 11.53 C HETATM 979 H MSE A1802 14.125 23.975 94.445 1.00 0.00 H ATOM 980 N HIS A1803 11.007 25.926 92.688 1.00 2.91 N ATOM 981 CA HIS A1803 9.910 26.727 93.209 1.00 3.95 C ATOM 982 C HIS A1803 8.883 26.856 92.097 1.00 5.69 C ATOM 983 O HIS A1803 9.252 27.100 90.943 1.00 6.66 O ATOM 984 CB HIS A1803 10.405 28.101 93.674 1.00 5.39 C ATOM 985 CG HIS A1803 9.313 28.969 94.210 1.00 9.37 C ATOM 986 ND1 HIS A1803 8.711 29.954 93.458 1.00 12.51 N ATOM 987 CD2 HIS A1803 8.681 28.966 95.407 1.00 11.70 C ATOM 988 CE1 HIS A1803 7.768 30.537 94.177 1.00 11.23 C ATOM 989 NE2 HIS A1803 7.734 29.961 95.365 1.00 13.82 N ATOM 990 H HIS A1803 11.264 26.002 91.683 1.00 0.00 H ATOM 991 N SER A1804 7.607 26.659 92.438 1.00 6.18 N ATOM 992 CA SER A1804 6.551 26.573 91.431 1.00 7.38 C ATOM 993 C SER A1804 6.857 25.500 90.387 1.00 10.38 C ATOM 994 O SER A1804 6.494 25.632 89.211 1.00 10.95 O ATOM 995 CB SER A1804 6.260 27.931 90.786 1.00 11.09 C ATOM 996 OG SER A1804 6.087 28.913 91.790 1.00 16.14 O ATOM 997 HG SER A1804 5.328 28.658 92.372 1.00 0.00 H ATOM 998 H SER A1804 7.359 26.565 93.444 1.00 0.00 H ATOM 999 N PHE A1805 7.548 24.442 90.825 1.00 7.47 N ATOM 1000 CA PHE A1805 7.890 23.288 89.991 1.00 9.26 C ATOM 1001 C PHE A1805 8.786 23.645 88.814 1.00 9.87 C ATOM 1002 O PHE A1805 8.813 22.944 87.799 1.00 12.59 O ATOM 1003 CB PHE A1805 6.652 22.501 89.572 1.00 9.09 C ATOM 1004 CG PHE A1805 5.851 22.035 90.740 1.00 9.43 C ATOM 1005 CD1 PHE A1805 6.319 21.004 91.537 1.00 10.35 C ATOM 1006 CD2 PHE A1805 4.658 22.653 91.075 1.00 9.97 C ATOM 1007 CE1 PHE A1805 5.606 20.583 92.630 1.00 12.25 C ATOM 1008 CE2 PHE A1805 3.932 22.229 92.172 1.00 12.11 C ATOM 1009 CZ PHE A1805 4.405 21.189 92.950 1.00 11.07 C ATOM 1010 H PHE A1805 7.861 24.439 91.817 1.00 0.00 H ATOM 1011 N ARG A1806 9.545 24.721 88.956 1.00 8.65 N ATOM 1012 CA ARG A1806 10.577 25.078 88.001 1.00 7.53 C ATOM 1013 C ARG A1806 11.908 25.181 88.727 1.00 5.36 C ATOM 1014 O ARG A1806 11.973 25.567 89.897 1.00 5.63 O ATOM 1015 CB ARG A1806 10.226 26.376 87.300 1.00 11.16 C ATOM 1016 CG ARG A1806 8.938 26.253 86.495 1.00 13.04 C ATOM 1017 CD ARG A1806 8.607 27.529 85.782 1.00 13.70 C ATOM 1018 NE ARG A1806 9.639 27.882 84.814 1.00 13.00 N ATOM 1019 CZ ARG A1806 9.721 29.066 84.222 1.00 15.94 C ATOM 1020 NH1 ARG A1806 8.827 30.008 84.498 1.00 20.12 N ATOM 1021 NH2 ARG A1806 10.688 29.307 83.352 1.00 15.41 N ATOM 1022 HE ARG A1806 10.352 27.164 84.574 1.00 0.00 H ATOM 1023 HH12 ARG A1806 8.890 30.937 84.034 1.00 0.00 H ATOM 1024 HH11 ARG A1806 8.063 29.817 85.178 1.00 0.00 H ATOM 1025 HH22 ARG A1806 10.751 30.236 82.889 1.00 0.00 H ATOM 1026 HH21 ARG A1806 11.385 28.568 83.131 1.00 0.00 H ATOM 1027 H ARG A1806 9.396 25.333 89.783 1.00 0.00 H HETATM 1028 N MSE A1807 12.969 24.832 88.017 1.00 4.08 N HETATM 1029 CA MSE A1807 14.276 24.711 88.627 1.00 4.19 C HETATM 1030 C MSE A1807 15.162 25.892 88.251 1.00 4.04 C HETATM 1031 O MSE A1807 15.217 26.294 87.080 1.00 6.08 O HETATM 1032 CB MSE A1807 14.923 23.416 88.153 1.00 9.92 C HETATM 1033 CG MSE A1807 15.958 22.883 89.088 1.00 14.11 C HETATM 1034 SE MSE A1807 16.589 21.135 88.533 1.00 19.02 S HETATM 1035 CE MSE A1807 15.076 20.011 88.988 1.00 13.49 C HETATM 1036 H MSE A1807 12.861 24.641 87.000 1.00 0.00 H ATOM 1037 N GLN A1808 15.842 26.447 89.252 1.00 3.45 N ATOM 1038 CA GLN A1808 16.846 27.483 89.058 1.00 3.45 C ATOM 1039 C GLN A1808 18.142 27.090 89.755 1.00 3.76 C ATOM 1040 O GLN A1808 18.167 26.211 90.620 1.00 3.55 O ATOM 1041 CB GLN A1808 16.351 28.844 89.561 1.00 3.78 C ATOM 1042 CG GLN A1808 15.127 29.331 88.794 1.00 6.27 C ATOM 1043 CD GLN A1808 14.704 30.713 89.197 1.00 9.12 C ATOM 1044 OE1 GLN A1808 13.915 30.885 90.124 1.00 14.43 O ATOM 1045 NE2 GLN A1808 15.222 31.712 88.504 1.00 13.41 N ATOM 1046 HE22 GLN A1808 15.886 31.517 87.728 1.00 0.00 H ATOM 1047 HE21 GLN A1808 14.966 32.693 88.735 1.00 0.00 H ATOM 1048 H GLN A1808 15.646 26.124 90.221 1.00 0.00 H ATOM 1049 N GLY A1809 19.230 27.741 89.357 1.00 4.14 N ATOM 1050 CA GLY A1809 20.535 27.421 89.886 1.00 5.48 C ATOM 1051 C GLY A1809 20.761 28.008 91.265 1.00 5.10 C ATOM 1052 O GLY A1809 19.879 28.634 91.872 1.00 4.48 O ATOM 1053 H GLY A1809 19.140 28.497 88.649 1.00 0.00 H ATOM 1054 N PRO A1810 21.983 27.814 91.777 1.00 5.15 N ATOM 1055 CA PRO A1810 22.277 28.172 93.177 1.00 7.11 C ATOM 1056 C PRO A1810 22.232 29.666 93.481 1.00 7.53 C ATOM 1057 O PRO A1810 22.227 30.037 94.665 1.00 11.45 O ATOM 1058 CB PRO A1810 23.674 27.569 93.419 1.00 9.31 C ATOM 1059 CG PRO A1810 24.239 27.346 92.072 1.00 10.53 C ATOM 1060 CD PRO A1810 23.105 27.116 91.126 1.00 6.35 C ATOM 1061 N SER A1811 22.178 30.533 92.471 1.00 8.41 N ATOM 1062 CA SER A1811 22.057 31.962 92.729 1.00 7.60 C ATOM 1063 C SER A1811 20.635 32.383 93.080 1.00 8.76 C ATOM 1064 O SER A1811 20.414 33.561 93.398 1.00 10.72 O ATOM 1065 CB SER A1811 22.551 32.757 91.521 1.00 11.18 C ATOM 1066 OG SER A1811 21.682 32.589 90.412 1.00 16.65 O ATOM 1067 HG SER A1811 21.642 31.630 90.167 1.00 0.00 H ATOM 1068 H SER A1811 22.223 30.187 91.491 1.00 0.00 H ATOM 1069 N LYS A1812 19.673 31.459 93.040 1.00 6.70 N ATOM 1070 CA LYS A1812 18.274 31.742 93.367 1.00 6.51 C ATOM 1071 C LYS A1812 17.805 30.812 94.480 1.00 3.35 C ATOM 1072 O LYS A1812 16.918 29.975 94.276 1.00 4.60 O ATOM 1073 CB LYS A1812 17.378 31.609 92.138 1.00 7.96 C ATOM 1074 CG LYS A1812 17.793 32.493 90.981 1.00 10.54 C ATOM 1075 CD LYS A1812 17.291 33.914 91.140 1.00 14.64 C ATOM 1076 CE LYS A1812 17.481 34.702 89.852 1.00 19.99 C ATOM 1077 NZ LYS A1812 16.823 36.036 89.926 1.00 24.54 N ATOM 1078 HZ1 LYS A1812 15.803 35.910 90.088 1.00 0.00 H ATOM 1079 HZ2 LYS A1812 17.235 36.581 90.710 1.00 0.00 H ATOM 1080 HZ3 LYS A1812 16.973 36.545 89.032 1.00 0.00 H ATOM 1081 H LYS A1812 19.930 30.490 92.763 1.00 0.00 H ATOM 1082 N PRO A1813 18.385 30.933 95.677 1.00 3.71 N ATOM 1083 CA PRO A1813 18.080 29.982 96.768 1.00 4.94 C ATOM 1084 C PRO A1813 16.744 30.289 97.442 1.00 5.58 C ATOM 1085 O PRO A1813 16.642 30.944 98.489 1.00 8.07 O ATOM 1086 CB PRO A1813 19.264 30.176 97.717 1.00 6.21 C ATOM 1087 CG PRO A1813 19.602 31.629 97.555 1.00 6.62 C ATOM 1088 CD PRO A1813 19.388 31.932 96.091 1.00 5.55 C ATOM 1089 N PHE A1814 15.677 29.820 96.809 1.00 3.79 N ATOM 1090 CA PHE A1814 14.330 30.000 97.322 1.00 2.99 C ATOM 1091 C PHE A1814 13.516 28.780 96.920 1.00 3.33 C ATOM 1092 O PHE A1814 13.509 28.395 95.744 1.00 4.78 O ATOM 1093 CB PHE A1814 13.688 31.254 96.723 1.00 5.28 C ATOM 1094 CG PHE A1814 12.386 31.630 97.368 1.00 8.76 C ATOM 1095 CD1 PHE A1814 11.192 31.085 96.924 1.00 10.27 C ATOM 1096 CD2 PHE A1814 12.358 32.524 98.426 1.00 13.47 C ATOM 1097 CE1 PHE A1814 9.984 31.434 97.523 1.00 12.95 C ATOM 1098 CE2 PHE A1814 11.161 32.875 99.029 1.00 13.28 C ATOM 1099 CZ PHE A1814 9.974 32.326 98.576 1.00 13.61 C ATOM 1100 H PHE A1814 15.809 29.306 95.915 1.00 0.00 H ATOM 1101 N GLY A1815 12.829 28.185 97.890 1.00 3.74 N ATOM 1102 CA GLY A1815 11.979 27.052 97.598 1.00 3.94 C ATOM 1103 C GLY A1815 12.542 25.760 98.145 1.00 2.74 C ATOM 1104 O GLY A1815 13.006 25.698 99.286 1.00 4.06 O ATOM 1105 H GLY A1815 12.903 28.537 98.866 1.00 0.00 H ATOM 1106 N CYS A1816 12.485 24.718 97.331 1.00 2.43 N ATOM 1107 CA CYS A1816 12.891 23.384 97.740 1.00 1.70 C ATOM 1108 C CYS A1816 14.285 23.097 97.213 1.00 1.32 C ATOM 1109 O CYS A1816 14.530 23.264 96.017 1.00 1.59 O ATOM 1110 CB CYS A1816 11.908 22.377 97.145 1.00 2.04 C ATOM 1111 SG CYS A1816 12.330 20.670 97.441 1.00 3.47 S ATOM 1112 H CYS A1816 12.136 24.859 96.361 1.00 0.00 H ATOM 1113 N PRO A1817 15.214 22.670 98.056 1.00 0.71 N ATOM 1114 CA PRO A1817 16.557 22.338 97.564 1.00 1.78 C ATOM 1115 C PRO A1817 16.545 21.090 96.697 1.00 0.95 C ATOM 1116 O PRO A1817 15.782 20.142 96.926 1.00 1.03 O ATOM 1117 CB PRO A1817 17.336 22.073 98.853 1.00 2.61 C ATOM 1118 CG PRO A1817 16.277 21.560 99.811 1.00 1.62 C ATOM 1119 CD PRO A1817 15.061 22.390 99.497 1.00 2.60 C ATOM 1120 N VAL A1818 17.434 21.092 95.708 1.00 1.07 N ATOM 1121 CA VAL A1818 17.670 19.948 94.831 1.00 2.05 C ATOM 1122 C VAL A1818 19.105 19.508 95.075 1.00 0.71 C ATOM 1123 O VAL A1818 20.047 20.254 94.780 1.00 1.29 O ATOM 1124 CB VAL A1818 17.450 20.289 93.349 1.00 2.04 C ATOM 1125 CG1 VAL A1818 17.680 19.057 92.479 1.00 3.28 C ATOM 1126 CG2 VAL A1818 16.030 20.838 93.120 1.00 2.76 C ATOM 1127 H VAL A1818 17.992 21.955 95.550 1.00 0.00 H ATOM 1128 N TYR A1819 19.270 18.315 95.625 1.00 1.60 N ATOM 1129 CA TYR A1819 20.582 17.733 95.871 1.00 1.05 C ATOM 1130 C TYR A1819 20.877 16.680 94.820 1.00 1.43 C ATOM 1131 O TYR A1819 19.984 15.972 94.348 1.00 1.89 O ATOM 1132 CB TYR A1819 20.627 17.074 97.253 1.00 2.49 C ATOM 1133 CG TYR A1819 20.363 18.038 98.379 1.00 2.38 C ATOM 1134 CD1 TYR A1819 21.393 18.796 98.929 1.00 2.09 C ATOM 1135 CD2 TYR A1819 19.079 18.212 98.878 1.00 2.64 C ATOM 1136 CE1 TYR A1819 21.148 19.697 99.956 1.00 2.20 C ATOM 1137 CE2 TYR A1819 18.825 19.112 99.904 1.00 2.35 C ATOM 1138 CZ TYR A1819 19.862 19.851 100.444 1.00 2.15 C ATOM 1139 OH TYR A1819 19.625 20.747 101.463 1.00 4.04 O ATOM 1140 HH TYR A1819 20.475 21.182 101.723 1.00 0.00 H ATOM 1141 H TYR A1819 18.426 17.770 95.893 1.00 0.00 H ATOM 1142 N ILE A1820 22.153 16.562 94.471 1.00 1.65 N ATOM 1143 CA ILE A1820 22.604 15.595 93.481 1.00 2.35 C ATOM 1144 C ILE A1820 23.545 14.640 94.202 1.00 4.01 C ATOM 1145 O ILE A1820 24.515 15.082 94.826 1.00 5.30 O ATOM 1146 CB ILE A1820 23.326 16.294 92.320 1.00 2.45 C ATOM 1147 CG1 ILE A1820 22.458 17.412 91.726 1.00 4.64 C ATOM 1148 CG2 ILE A1820 23.759 15.274 91.287 1.00 4.63 C ATOM 1149 CD1 ILE A1820 21.135 16.950 91.130 1.00 4.24 C ATOM 1150 H ILE A1820 22.855 17.183 94.921 1.00 0.00 H ATOM 1151 N ILE A1821 23.252 13.344 94.143 1.00 5.14 N ATOM 1152 CA ILE A1821 24.079 12.346 94.815 1.00 9.36 C ATOM 1153 C ILE A1821 24.333 11.170 93.884 1.00 15.48 C ATOM 1154 O ILE A1821 23.391 10.597 93.326 1.00 15.20 O ATOM 1155 CB ILE A1821 23.462 11.857 96.140 1.00 13.40 C ATOM 1156 CG1 ILE A1821 23.241 13.029 97.098 1.00 14.43 C ATOM 1157 CG2 ILE A1821 24.355 10.788 96.785 1.00 15.12 C ATOM 1158 CD1 ILE A1821 22.728 12.615 98.471 1.00 17.14 C ATOM 1159 H ILE A1821 22.416 13.035 93.607 1.00 0.00 H ATOM 1160 N LYS A1822 25.602 10.798 93.750 1.00 22.11 N ATOM 1161 CA LYS A1822 26.020 9.597 93.038 1.00 43.20 C ATOM 1162 C LYS A1822 27.302 9.064 93.667 1.00 75.64 C ATOM 1163 O LYS A1822 27.832 9.662 94.605 1.00 33.86 O ATOM 1164 CB LYS A1822 26.260 9.890 91.559 1.00 56.80 C ATOM 1165 CG LYS A1822 25.256 9.231 90.638 1.00 62.54 C ATOM 1166 CD LYS A1822 25.779 9.147 89.215 1.00 79.24 C ATOM 1167 CE LYS A1822 26.216 10.505 88.695 1.00 36.85 C ATOM 1168 NZ LYS A1822 26.662 10.412 87.279 1.00 34.12 N ATOM 1169 OXT LYS A1822 27.838 8.035 93.257 1.00 91.00 O ATOM 1170 HZ1 LYS A1822 27.464 9.753 87.212 1.00 0.00 H ATOM 1171 HZ2 LYS A1822 25.877 10.065 86.692 1.00 0.00 H ATOM 1172 HZ3 LYS A1822 26.956 11.353 86.947 1.00 0.00 H ATOM 1173 H LYS A1822 26.337 11.397 94.177 1.00 0.00 H TER 1174 LYS A1822 HETATM 1175 O HOH 1 15.480 12.744 82.078 1.00 36.32 O HETATM 1176 O HOH 2 -2.243 9.028 113.487 1.00 31.74 O HETATM 1177 O HOH 3 9.689 31.284 91.857 1.00 30.00 O HETATM 1178 O HOH 4 4.803 18.401 84.165 1.00 22.98 O HETATM 1179 O HOH 5 4.238 28.754 93.744 1.00 36.87 O HETATM 1180 O HOH 6 -0.009 26.675 95.921 1.00 32.22 O HETATM 1181 O HOH 7 15.798 8.251 103.366 1.00 24.30 O HETATM 1182 O HOH 8 0.248 21.325 86.986 1.00 25.21 O HETATM 1183 O HOH 9 17.615 13.767 81.278 1.00 30.80 O HETATM 1184 O HOH 10 0.517 2.935 94.720 1.00 38.66 O HETATM 1185 O HOH 11 8.735 23.049 108.373 1.00 31.26 O HETATM 1186 O HOH 12 22.214 17.663 107.229 1.00 29.43 O HETATM 1187 O HOH 13 -4.803 6.644 101.321 1.00 22.92 O HETATM 1188 O HOH 14 23.072 11.294 82.650 1.00 23.78 O HETATM 1189 O HOH 15 11.592 32.914 102.868 1.00 28.73 O HETATM 1190 O HOH 16 -0.687 11.741 80.108 1.00 35.23 O HETATM 1191 O HOH 17 -18.426 11.683 108.002 1.00 21.04 O HETATM 1192 O HOH 18 3.268 5.768 83.003 1.00 31.24 O HETATM 1193 O HOH 19 24.099 25.812 96.947 1.00 17.35 O HETATM 1194 O HOH 20 19.266 14.912 100.319 1.00 23.03 O HETATM 1195 O HOH 21 20.282 26.162 102.971 1.00 31.22 O HETATM 1196 O HOH 22 -19.963 16.581 109.928 1.00 30.56 O HETATM 1197 O HOH 23 -2.848 20.357 97.721 1.00 29.79 O HETATM 1198 O HOH 24 9.131 1.418 104.675 1.00 19.24 O HETATM 1199 O HOH 25 4.756 21.284 112.961 1.00 41.59 O HETATM 1200 O HOH 26 11.244 9.090 80.910 1.00 25.42 O HETATM 1201 O HOH 27 -3.078 17.914 104.019 1.00 19.38 O HETATM 1202 O HOH 28 25.937 23.998 95.433 1.00 26.19 O HETATM 1203 O HOH 29 7.591 22.113 85.574 1.00 26.53 O HETATM 1204 O HOH 30 24.694 21.878 85.835 1.00 13.57 O HETATM 1205 O HOH 31 11.587 16.401 81.042 1.00 19.57 O HETATM 1206 O HOH 32 -3.785 12.169 95.570 1.00 14.52 O HETATM 1207 O HOH 33 5.830 11.548 87.488 1.00 6.34 O HETATM 1208 O HOH 34 0.640 20.238 92.883 1.00 7.65 O HETATM 1209 O HOH 35 2.382 27.607 107.529 1.00 32.74 O HETATM 1210 O HOH 36 4.360 24.888 99.341 1.00 12.87 O HETATM 1211 O HOH 37 13.510 28.844 104.752 1.00 19.70 O HETATM 1212 O HOH 38 16.571 5.690 103.935 1.00 20.42 O HETATM 1213 O HOH 39 -5.247 6.591 109.137 1.00 21.75 O HETATM 1214 O HOH 40 -1.578 13.560 99.372 1.00 21.44 O HETATM 1215 O HOH 41 -11.477 15.086 106.831 1.00 26.59 O HETATM 1216 O HOH 42 5.346 27.094 87.283 1.00 33.74 O HETATM 1217 O HOH 43 22.498 30.214 89.477 1.00 12.78 O HETATM 1218 O HOH 44 -4.750 13.801 92.434 1.00 15.51 O HETATM 1219 O HOH 45 24.685 23.880 90.709 1.00 12.18 O HETATM 1220 O HOH 46 11.107 28.747 89.888 1.00 14.38 O HETATM 1221 O HOH 47 17.925 2.958 85.733 1.00 24.59 O HETATM 1222 O HOH 48 3.992 5.660 85.571 1.00 39.12 O HETATM 1223 O HOH 49 14.631 21.004 103.217 1.00 7.03 O HETATM 1224 O HOH 50 3.388 4.468 97.831 1.00 18.03 O HETATM 1225 O HOH 51 23.939 18.718 88.515 1.00 4.83 O HETATM 1226 O HOH 52 -0.239 11.040 86.473 1.00 31.81 O HETATM 1227 O HOH 53 23.275 8.999 87.150 1.00 24.79 O HETATM 1228 O HOH 54 -8.224 11.933 102.058 1.00 35.95 O HETATM 1229 O HOH 55 14.400 29.517 93.357 1.00 5.49 O HETATM 1230 O HOH 56 21.794 24.011 100.277 1.00 16.69 O HETATM 1231 O HOH 57 3.005 8.631 86.618 1.00 31.04 O HETATM 1232 O HOH 58 8.482 18.393 109.697 1.00 29.64 O HETATM 1233 O HOH 59 24.427 18.269 101.131 1.00 25.14 O HETATM 1234 O HOH 60 -5.059 19.255 89.292 1.00 7.62 O HETATM 1235 O HOH 61 26.774 20.161 96.059 1.00 12.61 O HETATM 1236 O HOH 62 8.768 2.485 84.543 1.00 23.80 O HETATM 1237 O HOH 63 6.126 9.986 109.162 1.00 15.69 O HETATM 1238 O HOH 64 15.514 16.826 104.790 1.00 11.36 O HETATM 1239 O HOH 65 19.712 5.531 87.942 1.00 11.39 O HETATM 1240 O HOH 66 9.264 9.495 84.667 1.00 7.44 O HETATM 1241 O HOH 67 -2.247 21.739 112.358 1.00 17.57 O HETATM 1242 O HOH 68 -2.735 11.335 97.950 1.00 22.44 O HETATM 1243 O HOH 69 5.104 26.497 108.236 1.00 37.39 O HETATM 1244 O HOH 70 18.559 19.383 104.363 1.00 12.14 O HETATM 1245 O HOH 71 1.926 22.406 107.475 1.00 21.65 O HETATM 1246 O HOH 72 14.384 9.111 77.718 1.00 36.64 O HETATM 1247 O HOH 73 24.000 18.129 96.232 1.00 7.36 O HETATM 1248 O HOH 74 8.205 23.915 98.540 1.00 4.58 O HETATM 1249 O HOH 75 -0.236 6.379 107.566 1.00 45.24 O HETATM 1250 O HOH 76 -17.667 13.139 105.896 1.00 28.50 O HETATM 1251 O HOH 77 25.064 19.258 85.015 1.00 9.10 O HETATM 1252 O HOH 78 25.680 19.878 104.189 1.00 20.83 O HETATM 1253 O HOH 79 -0.187 15.085 103.221 1.00 14.09 O HETATM 1254 O HOH 80 -14.785 9.439 110.586 1.00 22.28 O HETATM 1255 O HOH 81 26.694 14.524 96.517 1.00 17.55 O HETATM 1256 O HOH 82 12.936 13.072 83.099 1.00 26.57 O HETATM 1257 O HOH 83 15.082 5.317 93.942 1.00 17.63 O HETATM 1258 O HOH 84 21.789 2.479 93.684 1.00 38.00 O HETATM 1259 O HOH 85 6.006 31.512 99.180 1.00 26.38 O HETATM 1260 O HOH 86 23.672 6.376 90.935 1.00 34.39 O HETATM 1261 O HOH 87 25.571 25.130 99.475 1.00 35.99 O HETATM 1262 O HOH 88 0.997 -1.388 103.760 1.00 21.32 O HETATM 1263 O HOH 89 18.511 7.560 81.982 1.00 25.62 O HETATM 1264 O HOH 90 3.936 6.551 93.640 1.00 24.03 O HETATM 1265 O HOH 91 19.312 12.301 80.454 1.00 38.27 O HETATM 1266 O HOH 92 11.573 18.802 82.784 1.00 7.25 O HETATM 1267 O HOH 93 -12.924 9.256 112.613 1.00 28.82 O HETATM 1268 O HOH 94 19.342 24.939 108.117 1.00 27.12 O HETATM 1269 O HOH 95 7.601 13.238 82.265 1.00 15.93 O HETATM 1270 O HOH 96 -4.606 2.878 102.773 1.00 33.51 O HETATM 1271 O HOH 97 6.816 7.023 109.414 1.00 28.55 O HETATM 1272 O HOH 98 -14.127 12.620 112.562 1.00 31.08 O HETATM 1273 O HOH 99 3.909 3.541 88.629 1.00 44.71 O HETATM 1274 O HOH 100 22.310 27.836 96.596 1.00 14.53 O HETATM 1275 O HOH 101 16.275 18.305 77.566 1.00 26.02 O HETATM 1276 O HOH 102 7.739 29.998 102.664 1.00 15.37 O HETATM 1277 O HOH 103 -12.688 8.913 102.201 1.00 40.24 O HETATM 1278 O HOH 104 -0.558 23.462 112.594 1.00 39.03 O HETATM 1279 O HOH 105 26.550 17.019 96.593 1.00 15.18 O HETATM 1280 O HOH 106 -3.636 17.179 106.550 1.00 16.85 O HETATM 1281 O HOH 107 16.248 18.715 103.062 1.00 8.09 O HETATM 1282 O HOH 108 21.007 34.599 88.365 1.00 31.98 O HETATM 1283 O HOH 109 2.479 24.869 94.504 1.00 14.91 O HETATM 1284 O HOH 110 5.475 31.534 96.437 1.00 24.28 O HETATM 1285 O HOH 111 20.419 3.452 89.306 1.00 22.23 O HETATM 1286 O HOH 112 0.161 18.307 112.755 1.00 21.43 O HETATM 1287 O HOH 113 3.219 10.887 88.124 1.00 20.40 O HETATM 1288 O HOH 114 1.236 23.516 85.348 1.00 24.33 O HETATM 1289 O HOH 115 1.905 20.120 90.308 1.00 7.66 O HETATM 1290 O HOH 116 -2.317 21.418 87.682 1.00 22.89 O HETATM 1291 O HOH 117 11.946 13.112 114.365 1.00 27.89 O HETATM 1292 O HOH 118 23.869 12.086 85.252 1.00 20.54 O HETATM 1293 O HOH 119 -4.511 14.147 103.745 1.00 23.48 O HETATM 1294 O HOH 120 -10.393 8.772 102.731 1.00 22.96 O HETATM 1295 O HOH 121 11.364 21.204 107.409 1.00 22.18 O HETATM 1296 O HOH 122 -7.958 7.425 113.041 1.00 29.08 O HETATM 1297 O HOH 123 13.294 28.032 91.293 1.00 6.73 O HETATM 1298 O HOH 124 4.662 2.250 102.129 1.00 36.82 O HETATM 1299 O HOH 125 13.032 23.613 85.256 1.00 15.27 O HETATM 1300 O HOH 126 -3.583 18.441 98.673 1.00 23.43 O HETATM 1301 O HOH 127 0.069 7.390 111.969 1.00 20.86 O HETATM 1302 O HOH 128 1.591 22.367 89.043 1.00 19.47 O HETATM 1303 O HOH 129 -3.644 4.126 100.241 1.00 26.86 O HETATM 1304 O HOH 130 2.119 10.806 92.490 1.00 20.44 O HETATM 1305 O HOH 131 3.520 26.171 92.810 1.00 26.26 O HETATM 1306 O HOH 132 4.416 4.314 91.364 1.00 17.02 O HETATM 1307 O HOH 133 12.450 33.367 91.115 1.00 29.85 O HETATM 1308 O HOH 134 6.973 4.211 107.230 1.00 24.79 O HETATM 1309 O HOH 135 2.245 3.691 108.617 1.00 36.43 O HETATM 1310 O HOH 136 4.824 20.069 109.187 1.00 29.85 O HETATM 1311 O HOH 137 2.752 6.476 96.013 1.00 39.38 O HETATM 1312 O HOH 138 -2.016 19.147 92.978 1.00 11.60 O HETATM 1313 O HOH 139 -2.871 5.459 111.361 1.00 30.22 O HETATM 1314 O HOH 140 16.449 22.276 109.611 1.00 30.31 O HETATM 1315 O HOH 141 17.964 9.678 94.885 1.00 15.34 O HETATM 1316 O HOH 142 -19.302 9.748 110.934 1.00 23.84 O HETATM 1317 O HOH 143 -5.003 7.971 97.029 1.00 34.66 O HETATM 1318 O HOH 144 13.164 31.977 93.062 1.00 21.21 O HETATM 1319 O HOH 145 4.094 15.366 113.127 1.00 29.08 O HETATM 1320 O HOH 146 30.951 9.947 93.706 1.00 45.37 O HETATM 1321 O HOH 147 13.741 20.770 105.712 1.00 18.31 O HETATM 1322 O HOH 148 20.301 17.230 103.402 1.00 30.76 O HETATM 1323 O HOH 149 17.152 37.858 92.728 1.00 36.97 O HETATM 1324 O HOH 150 -17.295 18.329 109.526 1.00 27.01 O HETATM 1325 O HOH 151 18.436 30.036 109.243 1.00 36.36 O HETATM 1326 O HOH 152 3.174 8.488 92.829 1.00 40.08 O HETATM 1327 O HOH 153 13.348 22.447 82.363 1.00 22.05 O HETATM 1328 O HOH 154 20.365 9.541 94.667 1.00 30.14 O HETATM 1329 O HOH 155 -5.910 12.616 101.490 1.00 27.43 O HETATM 1330 O HOH 156 16.406 7.546 95.571 1.00 21.22 O HETATM 1331 O HOH 157 3.704 6.483 110.054 1.00 28.02 O HETATM 1332 O HOH 158 -6.285 16.109 114.869 1.00 33.78 O HETATM 1333 O HOH 159 4.709 22.176 108.306 1.00 28.16 O HETATM 1334 O HOH 160 17.600 19.367 106.916 1.00 22.15 O HETATM 1335 O HOH 161 11.788 29.567 87.176 1.00 12.79 O HETATM 1336 O HOH 162 3.489 -0.823 102.595 1.00 30.76 O HETATM 1337 O HOH 163 -5.582 5.957 112.127 1.00 42.02 O HETATM 1338 O HOH 164 28.319 21.388 92.492 1.00 30.73 O HETATM 1339 O HOH 165 21.641 15.810 105.270 1.00 35.21 O HETATM 1340 O HOH 166 1.421 5.669 110.019 1.00 34.61 O HETATM 1341 O HOH 167 5.722 17.903 109.712 1.00 30.58 O HETATM 1342 O HOH 168 3.283 14.522 115.623 1.00 32.71 O HETATM 1343 O HOH 169 15.003 18.477 106.936 1.00 18.76 O HETATM 1344 O HOH 170 21.732 6.960 86.293 1.00 25.26 O HETATM 1345 O HOH 171 -3.145 15.448 100.201 1.00 36.81 O HETATM 1346 O HOH 172 6.457 1.788 105.055 1.00 35.76 O HETATM 1347 O HOH 173 -3.417 4.495 105.357 1.00 33.98 O HETATM 1348 O HOH 174 2.468 22.893 83.359 1.00 36.16 O HETATM 1349 O HOH 175 18.701 9.683 97.930 1.00 26.61 O HETATM 1350 O HOH 176 19.430 17.419 108.482 1.00 43.99 O HETATM 1351 O HOH 177 11.810 32.187 86.783 1.00 37.33 O HETATM 1352 O HOH 178 20.488 6.522 83.719 1.00 27.19 O HETATM 1353 O HOH 179 19.166 10.550 99.974 1.00 28.87 O HETATM 1354 O HOH 180 0.278 22.915 93.380 1.00 19.71 O HETATM 1355 O HOH 181 10.317 9.483 78.801 1.00 33.67 O HETATM 1356 O HOH 182 5.003 2.888 81.862 1.00 24.16 O HETATM 1357 O HOH 183 -5.857 8.344 99.205 1.00 23.64 O HETATM 1358 O HOH 184 7.180 14.421 79.617 1.00 33.92 O HETATM 1359 O HOH 185 24.852 17.728 105.729 1.00 24.64 O HETATM 1360 O HOH 186 26.388 21.960 89.877 1.00 17.84 O HETATM 1361 O HOH 187 8.837 24.703 82.378 1.00 28.87 O HETATM 1362 O HOH 188 -2.770 15.716 102.820 1.00 21.90 O HETATM 1363 O HOH 189 -0.640 20.656 114.285 1.00 35.73 O HETATM 1364 O HOH 190 10.910 21.406 82.171 1.00 12.89 O HETATM 1365 O HOH 191 19.231 7.559 98.219 1.00 45.88 O HETATM 1366 O HOH 192 3.475 8.679 90.410 1.00 46.17 O HETATM 1367 O HOH 193 17.012 25.880 111.526 1.00 27.97 O HETATM 1368 O HOH 194 2.424 -1.156 106.035 1.00 35.49 O HETATM 1369 O HOH 195 9.916 11.377 82.899 1.00 18.08 O HETATM 1370 O HOH 196 28.082 23.154 97.287 1.00 18.13 O HETATM 1371 O HOH 197 26.633 24.172 92.894 1.00 19.46 O HETATM 1372 O HOH 198 23.768 16.313 99.083 1.00 30.09 O HETATM 1373 O HOH 199 -9.826 10.436 100.868 1.00 55.82 O HETATM 1374 O HOH 200 7.098 32.395 101.397 1.00 23.28 O HETATM 1375 O HOH 201 4.909 0.154 107.302 1.00 33.37 O HETATM 1376 O HOH 202 21.124 16.291 101.464 1.00 30.32 O HETATM 1377 O HOH 203 -4.849 10.781 100.101 1.00 24.32 O HETATM 1378 O HOH 204 -6.945 16.172 103.882 1.00 31.87 O HETATM 1379 O HOH 205 -9.556 14.122 101.437 1.00 44.24 O HETATM 1380 O HOH 206 9.166 33.687 102.506 1.00 29.44 O HETATM 1381 O HOH 207 26.199 14.480 99.116 1.00 30.77 O HETATM 1382 O HOH 208 9.431 14.876 80.307 1.00 24.37 O HETATM 1383 O HOH 209 4.328 2.073 109.499 1.00 38.88 O HETATM 1384 O HOH 210 8.667 22.514 83.020 1.00 29.88 O HETATM 1385 O HOH 211 4.628 19.392 80.716 1.00 27.14 O HETATM 1386 O HOH 212 3.843 2.424 84.618 1.00 33.52 O HETATM 1387 O HOH 213 -1.724 22.765 94.749 1.00 29.41 O HETATM 1388 O HOH 214 22.713 16.721 109.521 1.00 37.23 O HETATM 1389 O HOH 215 6.204 21.941 81.359 1.00 33.02 O HETATM 1390 O HOH 216 0.218 23.361 91.050 1.00 43.56 O HETATM 1391 O HOH 217 11.294 20.215 78.584 1.00 26.50 O HETATM 1392 O HOH 218 -8.525 8.344 99.490 1.00 28.85 O HETATM 1393 PG MGT A 219 -2.191 0.108 102.562 1.00 0.19 P HETATM 1394 O1G MGT A 219 -3.600 0.177 103.094 1.00 -0.61 O HETATM 1395 O2G MGT A 219 -1.937 -1.284 102.036 1.00 -0.61 O HETATM 1396 O3G MGT A 219 -1.194 0.447 103.649 1.00 -0.61 O HETATM 1397 O3B MGT A 219 -2.065 1.131 101.360 1.00 -0.15 O HETATM 1398 PB MGT A 219 -0.840 2.056 100.951 1.00 0.36 P HETATM 1399 O1B MGT A 219 -1.000 3.424 101.574 1.00 -0.57 O HETATM 1400 O2B MGT A 219 0.478 1.442 101.375 1.00 -0.57 O HETATM 1401 O3A MGT A 219 -0.929 2.135 99.368 1.00 -0.12 O HETATM 1402 PA MGT A 219 0.004 2.954 98.389 1.00 0.33 P HETATM 1403 O1A MGT A 219 1.414 2.980 98.920 1.00 -0.57 O HETATM 1404 O2A MGT A 219 -0.033 2.315 97.020 1.00 -0.57 O HETATM 1405 O5' MGT A 219 -0.505 4.440 98.278 1.00 -0.24 O HETATM 1406 C5' MGT A 219 -1.526 4.756 97.360 1.00 0.11 C HETATM 1407 C4' MGT A 219 -1.759 6.244 97.397 1.00 0.12 C HETATM 1408 O4' MGT A 219 -2.277 6.701 98.860 1.00 -0.34 O HETATM 1409 C1' MGT A 219 -1.737 7.866 99.106 1.00 0.19 C HETATM 1410 C2' MGT A 219 -1.045 8.267 97.811 1.00 0.14 C HETATM 1411 C3' MGT A 219 -0.653 6.897 97.247 1.00 0.11 C HETATM 1412 O3' MGT A 219 -0.271 7.025 95.814 1.00 -0.39 O HETATM 1413 H5 MGT A 219 -0.955 7.488 95.345 1.00 0.21 H HETATM 1414 H4 MGT A 219 0.170 6.437 97.814 1.00 0.06 H HETATM 1415 O2' MGT A 219 -1.952 8.868 97.006 1.00 -0.38 O HETATM 1416 H7 MGT A 219 -2.184 9.715 97.369 1.00 0.21 H HETATM 1417 H6 MGT A 219 -0.174 8.918 97.977 1.00 0.07 H HETATM 1418 N9 MGT A 219 -0.743 7.742 100.142 1.00 -0.17 N HETATM 1419 C8 MGT A 219 -0.200 6.498 100.734 1.00 0.16 C HETATM 1420 N7 MGT A 219 0.781 6.914 101.761 1.00 -0.23 N HETATM 1421 CM7 MGT A 219 1.541 6.029 102.574 1.00 0.04 C HETATM 1422 H11 MGT A 219 2.187 6.612 103.246 1.00 0.06 H HETATM 1423 H12 MGT A 219 2.163 5.386 101.934 1.00 0.06 H HETATM 1424 H13 MGT A 219 0.861 5.404 103.171 1.00 0.06 H HETATM 1425 C5 MGT A 219 0.790 8.329 101.757 1.00 0.29 C HETATM 1426 C6 MGT A 219 1.563 9.322 102.573 1.00 0.28 C HETATM 1427 O6 MGT A 219 2.357 8.967 103.421 1.00 -0.36 O HETATM 1428 N1 MGT A 219 1.361 10.697 102.353 1.00 -0.25 N HETATM 1429 C2 MGT A 219 0.431 11.160 101.369 1.00 0.19 C HETATM 1430 N2 MGT A 219 0.246 12.548 101.173 1.00 -0.34 N HETATM 1431 H15 MGT A 219 -0.423 12.883 100.465 1.00 0.18 H HETATM 1432 H16 MGT A 219 0.780 13.224 101.738 1.00 0.18 H HETATM 1433 N3 MGT A 219 -0.316 10.211 100.582 1.00 -0.21 N HETATM 1434 C4 MGT A 219 -0.118 8.809 100.796 1.00 0.30 C HETATM 1435 H17 MGT A 219 -0.986 10.539 99.872 1.00 0.24 H HETATM 1436 H14 MGT A 219 1.876 11.362 102.894 1.00 0.18 H HETATM 1437 H9 MGT A 219 0.294 5.893 99.960 1.00 0.09 H HETATM 1438 H10 MGT A 219 -1.009 5.913 101.196 1.00 0.09 H HETATM 1439 H8 MGT A 219 -2.501 8.602 99.396 1.00 0.10 H HETATM 1440 H3 MGT A 219 -2.485 6.521 96.618 1.00 0.07 H HETATM 1441 H1 MGT A 219 -2.451 4.229 97.638 1.00 0.06 H HETATM 1442 H2 MGT A 219 -1.221 4.453 96.347 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 327 317 328 335 CONECT 328 327 329 331 CONECT 329 328 330 336 CONECT 330 329 CONECT 331 328 332 CONECT 332 331 333 CONECT 333 332 334 CONECT 334 333 CONECT 335 327 CONECT 763 756 764 771 CONECT 764 763 765 767 CONECT 765 764 766 772 CONECT 766 765 CONECT 767 764 768 CONECT 768 767 769 CONECT 769 768 770 CONECT 770 769 CONECT 771 763 CONECT 971 957 972 979 CONECT 972 971 973 975 CONECT 973 972 974 980 CONECT 974 973 CONECT 975 972 976 CONECT 976 975 977 CONECT 977 976 978 CONECT 978 977 CONECT 979 971 CONECT 1028 1013 1029 1036 CONECT 1029 1028 1030 1032 CONECT 1030 1029 1031 1037 CONECT 1031 1030 CONECT 1032 1029 1033 CONECT 1033 1032 1034 CONECT 1034 1033 1035 CONECT 1035 1034 CONECT 1036 1028 CONECT 1393 1394 1395 1396 1397 CONECT 1394 1393 CONECT 1395 1393 CONECT 1396 1393 CONECT 1397 1393 1398 CONECT 1398 1397 1399 1400 1401 CONECT 1399 1398 CONECT 1400 1398 CONECT 1401 1398 1402 CONECT 1402 1401 1403 1404 1405 CONECT 1403 1402 CONECT 1404 1402 CONECT 1405 1402 1406 CONECT 1406 1405 1407 1441 1442 CONECT 1407 1406 1408 1411 1440 CONECT 1408 1407 1409 CONECT 1409 1408 1410 1418 1439 CONECT 1410 1409 1411 1415 1417 CONECT 1411 1407 1410 1412 1414 CONECT 1412 1411 1413 CONECT 1413 1412 CONECT 1414 1411 CONECT 1415 1410 1416 CONECT 1416 1415 CONECT 1417 1410 CONECT 1418 1409 1419 1434 CONECT 1419 1418 1420 1437 1438 CONECT 1420 1419 1421 1425 CONECT 1421 1420 1422 1423 1424 CONECT 1422 1421 CONECT 1423 1421 CONECT 1424 1421 CONECT 1425 1420 1426 1434 CONECT 1426 1425 1427 1428 CONECT 1427 1426 CONECT 1428 1426 1429 1436 CONECT 1429 1428 1430 1433 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1429 1434 1435 CONECT 1434 1418 1425 1433 CONECT 1435 1433 CONECT 1436 1428 CONECT 1437 1419 CONECT 1438 1419 CONECT 1439 1409 CONECT 1440 1407 CONECT 1441 1406 CONECT 1442 1406 MASTER 0 0 0 0 0 0 0 0 1441 1 90 10 END
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Structure:
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Related entries of code: 6qhg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5efa
RCSB PDB
PDBbind
MGT
Entry Information
PDB ID
6qhg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cap-binding domain of Rift Valley Fever virus L protein, RVFV CBD
Ligand Name
MGT
EC.Number
E.C.-.-.-.-
Resolution
1.48(Å)
Affinity (Kd/Ki/IC50)
Kd=737uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Plos Pathog. Vol. 15: pp. e1007829-e1007829
Ligand Properties
Formula
C
1
1
H
2
4
N
5
O
1
4
P
3
Molecular Weight
543.255
Exact Mass
543.053
No. of atoms
57
No. of bonds
59
Polar Surface Area
339.26
LOGP Value
-5.15 (
Computed with XLOGP3
)
-3.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)N1CN(c2c1[nH]c(N)[nH+]c2=O)C
InChI String
InChI=1S/C11H26N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18,20-26,31-33H,2-3H2,1H3,(H3,12,13,14,19)/p+1/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
F4ZDJ0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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