Browse entries in the PDBbind-CN Database
HEADER 6Q9O_COMPLEX COMPND 6Q9O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 A 94 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 A 94 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 A 94 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 A 94 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 A 94 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 A 94 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 A 94 VAL VAL VAL HET HU A 8 69 ATOM 1 N SER A 17 7.456 3.501 23.951 1.00 17.89 N ATOM 2 CA SER A 17 7.714 2.872 22.625 1.00 16.12 C ATOM 3 C SER A 17 7.047 1.503 22.509 1.00 14.95 C ATOM 4 O SER A 17 6.941 0.739 23.474 1.00 15.49 O ATOM 5 CB SER A 17 9.214 2.737 22.363 1.00 16.89 C ATOM 6 OG SER A 17 9.486 1.925 21.223 1.00 16.71 O ATOM 7 HG SER A 17 9.067 2.331 20.423 1.00 0.00 H ATOM 8 HN3 SER A 17 7.832 2.889 24.703 1.00 0.00 H ATOM 9 HN2 SER A 17 6.432 3.624 24.082 1.00 0.00 H ATOM 10 HN1 SER A 17 7.925 4.428 23.991 1.00 0.00 H ATOM 11 N GLN A 18 6.615 1.199 21.303 1.00 12.76 N ATOM 12 CA GLN A 18 6.005 -0.084 21.007 1.00 10.63 C ATOM 13 C GLN A 18 7.023 -1.129 20.556 1.00 9.72 C ATOM 14 O GLN A 18 6.649 -2.264 20.259 1.00 10.24 O ATOM 15 CB GLN A 18 4.913 0.135 19.970 1.00 10.57 C ATOM 16 CG GLN A 18 3.779 0.996 20.516 1.00 10.82 C ATOM 17 CD GLN A 18 3.138 0.344 21.742 1.00 9.71 C ATOM 18 OE1 GLN A 18 2.526 -0.710 21.631 1.00 9.59 O ATOM 19 NE2 GLN A 18 3.322 0.936 22.913 1.00 11.24 N ATOM 20 HE22 GLN A 18 3.848 1.832 22.966 1.00 0.00 H ATOM 21 HE21 GLN A 18 2.940 0.505 23.779 1.00 0.00 H ATOM 22 H GLN A 18 6.714 1.899 20.540 1.00 0.00 H ATOM 23 N ILE A 19 8.300 -0.753 20.539 1.00 9.19 N ATOM 24 CA ILE A 19 9.360 -1.675 20.158 1.00 9.33 C ATOM 25 C ILE A 19 10.220 -2.019 21.371 1.00 9.43 C ATOM 26 O ILE A 19 10.985 -1.174 21.843 1.00 9.93 O ATOM 27 CB ILE A 19 10.262 -1.102 19.030 1.00 9.17 C ATOM 28 CG1 ILE A 19 9.457 -0.455 17.883 1.00 9.30 C ATOM 29 CG2 ILE A 19 11.218 -2.192 18.546 1.00 10.69 C ATOM 30 CD1 ILE A 19 8.489 -1.379 17.152 1.00 8.75 C ATOM 31 H ILE A 19 8.546 0.222 20.804 1.00 0.00 H ATOM 32 N PRO A 20 10.107 -3.260 21.895 1.00 9.49 N ATOM 33 CA PRO A 20 10.957 -3.616 23.053 1.00 10.65 C ATOM 34 C PRO A 20 12.466 -3.435 22.793 1.00 10.48 C ATOM 35 O PRO A 20 12.939 -3.661 21.679 1.00 10.09 O ATOM 36 CB PRO A 20 10.623 -5.089 23.284 1.00 11.15 C ATOM 37 CG PRO A 20 9.204 -5.212 22.777 1.00 10.88 C ATOM 38 CD PRO A 20 9.178 -4.352 21.540 1.00 10.00 C ATOM 39 N ALA A 21 13.218 -3.047 23.827 1.00 11.71 N ATOM 40 CA ALA A 21 14.667 -2.843 23.679 1.00 12.03 C ATOM 41 C ALA A 21 15.389 -4.083 23.160 1.00 11.65 C ATOM 42 O ALA A 21 16.282 -3.988 22.313 1.00 12.06 O ATOM 43 CB ALA A 21 15.299 -2.383 24.992 1.00 13.59 C ATOM 44 H ALA A 21 12.771 -2.887 24.752 1.00 0.00 H ATOM 45 N SER A 22 14.994 -5.256 23.655 1.00 11.32 N ATOM 46 CA SER A 22 15.600 -6.497 23.207 1.00 11.71 C ATOM 47 C SER A 22 15.366 -6.732 21.714 1.00 10.67 C ATOM 48 O SER A 22 16.180 -7.370 21.048 1.00 11.32 O ATOM 49 CB SER A 22 15.074 -7.661 24.037 1.00 12.62 C ATOM 50 OG SER A 22 13.693 -7.518 24.304 1.00 13.80 O ATOM 51 HG SER A 22 13.381 -8.287 24.843 1.00 0.00 H ATOM 52 H SER A 22 14.241 -5.283 24.372 1.00 0.00 H ATOM 53 N GLU A 23 14.245 -6.229 21.190 1.00 9.14 N ATOM 54 CA GLU A 23 13.975 -6.335 19.767 1.00 8.43 C ATOM 55 C GLU A 23 14.879 -5.390 18.976 1.00 7.16 C ATOM 56 O GLU A 23 15.430 -5.759 17.946 1.00 7.84 O ATOM 57 CB GLU A 23 12.499 -6.089 19.468 1.00 8.27 C ATOM 58 CG GLU A 23 12.180 -6.252 17.998 1.00 8.17 C ATOM 59 CD GLU A 23 10.707 -6.245 17.691 1.00 7.27 C ATOM 60 OE1 GLU A 23 9.928 -5.872 18.587 1.00 9.31 O ATOM 61 OE2 GLU A 23 10.343 -6.626 16.545 1.00 7.52 O ATOM 62 H GLU A 23 13.557 -5.755 21.809 1.00 0.00 H ATOM 63 N GLN A 24 15.076 -4.170 19.487 1.00 7.25 N ATOM 64 CA GLN A 24 15.963 -3.213 18.833 1.00 7.40 C ATOM 65 C GLN A 24 17.379 -3.757 18.741 1.00 6.89 C ATOM 66 O GLN A 24 18.121 -3.395 17.835 1.00 7.51 O ATOM 67 CB GLN A 24 15.977 -1.902 19.606 1.00 8.07 C ATOM 68 CG GLN A 24 14.593 -1.261 19.717 1.00 9.90 C ATOM 69 CD GLN A 24 14.553 -0.071 20.647 1.00 11.92 C ATOM 70 OE1 GLN A 24 15.550 0.590 20.868 1.00 14.83 O ATOM 71 NE2 GLN A 24 13.382 0.215 21.189 1.00 14.85 N ATOM 72 HE22 GLN A 24 12.552 -0.374 20.975 1.00 0.00 H ATOM 73 HE21 GLN A 24 13.290 1.030 21.829 1.00 0.00 H ATOM 74 H GLN A 24 14.589 -3.899 20.365 1.00 0.00 H ATOM 75 N GLU A 25 17.746 -4.620 19.689 1.00 7.14 N ATOM 76 CA GLU A 25 19.095 -5.176 19.788 1.00 8.07 C ATOM 77 C GLU A 25 19.267 -6.484 19.008 1.00 8.45 C ATOM 78 O GLU A 25 20.353 -7.058 18.987 1.00 10.11 O ATOM 79 CB GLU A 25 19.455 -5.390 21.259 1.00 8.72 C ATOM 80 CG GLU A 25 19.571 -4.080 22.000 1.00 9.24 C ATOM 81 CD GLU A 25 19.491 -4.216 23.510 1.00 11.62 C ATOM 82 OE1 GLU A 25 19.759 -5.317 24.039 1.00 13.72 O ATOM 83 OE2 GLU A 25 19.130 -3.209 24.160 1.00 12.23 O ATOM 84 H GLU A 25 17.038 -4.912 20.393 1.00 0.00 H ATOM 85 N THR A 26 18.215 -6.970 18.369 1.00 7.61 N ATOM 86 CA THR A 26 18.288 -8.250 17.669 1.00 8.26 C ATOM 87 C THR A 26 19.205 -8.157 16.458 1.00 7.42 C ATOM 88 O THR A 26 19.093 -7.220 15.658 1.00 7.62 O ATOM 89 CB THR A 26 16.897 -8.681 17.276 1.00 8.64 C ATOM 90 OG1 THR A 26 16.193 -9.024 18.473 1.00 11.16 O ATOM 91 CG2 THR A 26 16.908 -9.915 16.357 1.00 9.57 C ATOM 92 HG1 THR A 26 16.154 -8.235 19.069 1.00 0.00 H ATOM 93 H THR A 26 17.324 -6.433 18.365 1.00 0.00 H ATOM 94 N LEU A 27 20.120 -9.122 16.348 1.00 7.90 N ATOM 95 CA LEU A 27 21.054 -9.212 15.239 1.00 8.23 C ATOM 96 C LEU A 27 20.419 -9.905 14.046 1.00 8.11 C ATOM 97 O LEU A 27 19.825 -10.983 14.173 1.00 8.76 O ATOM 98 CB LEU A 27 22.356 -9.905 15.700 1.00 9.56 C ATOM 99 CG LEU A 27 23.226 -9.021 16.637 1.00 11.37 C ATOM 100 CD1 LEU A 27 24.209 -9.827 17.486 1.00 15.09 C ATOM 101 CD2 LEU A 27 23.978 -7.968 15.860 1.00 13.87 C ATOM 102 H LEU A 27 20.167 -9.846 17.093 1.00 0.00 H ATOM 103 N VAL A 28 20.582 -9.286 12.877 1.00 7.84 N ATOM 104 CA VAL A 28 19.884 -9.702 11.658 1.00 7.64 C ATOM 105 C VAL A 28 20.815 -9.619 10.456 1.00 7.70 C ATOM 106 O VAL A 28 21.795 -8.878 10.465 1.00 8.31 O ATOM 107 CB VAL A 28 18.626 -8.824 11.386 1.00 8.20 C ATOM 108 CG1 VAL A 28 17.645 -8.941 12.527 1.00 8.58 C ATOM 109 CG2 VAL A 28 18.976 -7.368 11.152 1.00 9.30 C ATOM 110 H VAL A 28 21.231 -8.475 12.828 1.00 0.00 H ATOM 111 N ARG A 29 20.469 -10.379 9.417 1.00 8.18 N ATOM 112 CA ARG A 29 21.197 -10.388 8.144 1.00 9.15 C ATOM 113 C ARG A 29 20.242 -9.909 7.052 1.00 8.90 C ATOM 114 O ARG A 29 19.386 -10.659 6.589 1.00 8.99 O ATOM 115 CB ARG A 29 21.730 -11.788 7.818 1.00 10.32 C ATOM 116 CG ARG A 29 22.813 -12.282 8.763 1.00 13.37 C ATOM 117 CD ARG A 29 23.573 -13.518 8.237 1.00 17.87 C ATOM 118 NE ARG A 29 24.695 -13.888 9.113 1.00 21.23 N ATOM 119 CZ ARG A 29 24.635 -14.833 10.047 1.00 23.07 C ATOM 120 NH1 ARG A 29 23.521 -15.535 10.229 1.00 23.47 N ATOM 121 NH2 ARG A 29 25.699 -15.093 10.795 1.00 23.19 N ATOM 122 HE ARG A 29 25.593 -13.378 8.994 1.00 0.00 H ATOM 123 HH12 ARG A 29 23.485 -16.272 10.962 1.00 0.00 H ATOM 124 HH11 ARG A 29 22.686 -15.347 9.638 1.00 0.00 H ATOM 125 HH22 ARG A 29 25.653 -15.832 11.526 1.00 0.00 H ATOM 126 HH21 ARG A 29 26.579 -14.558 10.651 1.00 0.00 H ATOM 127 H ARG A 29 19.639 -10.998 9.514 1.00 0.00 H ATOM 128 N PRO A 30 20.375 -8.641 6.636 1.00 8.91 N ATOM 129 CA PRO A 30 19.519 -8.149 5.553 1.00 9.15 C ATOM 130 C PRO A 30 19.699 -8.986 4.293 1.00 9.59 C ATOM 131 O PRO A 30 20.825 -9.390 3.979 1.00 10.42 O ATOM 132 CB PRO A 30 20.035 -6.726 5.336 1.00 9.28 C ATOM 133 CG PRO A 30 20.535 -6.314 6.698 1.00 9.70 C ATOM 134 CD PRO A 30 21.188 -7.562 7.229 1.00 9.23 C ATOM 135 N LYS A 31 18.599 -9.252 3.598 1.00 10.08 N ATOM 136 CA LYS A 31 18.648 -9.886 2.281 1.00 11.19 C ATOM 137 C LYS A 31 19.357 -8.927 1.284 1.00 11.00 C ATOM 138 O LYS A 31 19.554 -7.748 1.582 1.00 10.31 O ATOM 139 CB LYS A 31 17.229 -10.268 1.844 1.00 12.23 C ATOM 140 CG LYS A 31 16.575 -11.325 2.741 1.00 13.82 C ATOM 141 CD LYS A 31 15.121 -11.632 2.362 1.00 16.46 C ATOM 142 CE LYS A 31 14.430 -12.481 3.423 1.00 19.09 C ATOM 143 NZ LYS A 31 12.965 -12.716 3.155 1.00 21.54 N ATOM 144 HZ1 LYS A 31 12.470 -11.802 3.119 1.00 0.00 H ATOM 145 HZ2 LYS A 31 12.855 -13.208 2.245 1.00 0.00 H ATOM 146 HZ3 LYS A 31 12.564 -13.299 3.917 1.00 0.00 H ATOM 147 H LYS A 31 17.674 -9.002 4.003 1.00 0.00 H ATOM 148 N PRO A 32 19.766 -9.433 0.098 1.00 12.25 N ATOM 149 CA PRO A 32 20.668 -8.658 -0.766 1.00 12.38 C ATOM 150 C PRO A 32 20.170 -7.256 -1.162 1.00 11.41 C ATOM 151 O PRO A 32 20.958 -6.318 -1.184 1.00 12.08 O ATOM 152 CB PRO A 32 20.815 -9.559 -1.999 1.00 13.34 C ATOM 153 CG PRO A 32 20.716 -10.924 -1.430 1.00 14.69 C ATOM 154 CD PRO A 32 19.658 -10.831 -0.366 1.00 13.06 C ATOM 155 N LEU A 33 18.875 -7.119 -1.443 1.00 11.34 N ATOM 156 CA LEU A 33 18.347 -5.816 -1.851 1.00 11.59 C ATOM 157 C LEU A 33 18.339 -4.804 -0.706 1.00 11.28 C ATOM 158 O LEU A 33 18.735 -3.651 -0.900 1.00 12.51 O ATOM 159 CB LEU A 33 16.963 -5.965 -2.483 1.00 12.39 C ATOM 160 CG LEU A 33 16.980 -6.698 -3.830 1.00 13.27 C ATOM 161 CD1 LEU A 33 15.591 -7.207 -4.138 1.00 15.60 C ATOM 162 CD2 LEU A 33 17.486 -5.773 -4.929 1.00 16.09 C ATOM 163 H LEU A 33 18.239 -7.938 -1.372 1.00 0.00 H ATOM 164 N LEU A 34 17.908 -5.230 0.484 1.00 10.07 N ATOM 165 CA LEU A 34 17.996 -4.347 1.634 1.00 9.86 C ATOM 166 C LEU A 34 19.457 -4.029 1.960 1.00 10.53 C ATOM 167 O LEU A 34 19.799 -2.893 2.289 1.00 11.09 O ATOM 168 CB LEU A 34 17.281 -4.953 2.842 1.00 10.00 C ATOM 169 CG LEU A 34 17.354 -4.112 4.134 1.00 9.24 C ATOM 170 CD1 LEU A 34 16.795 -2.691 3.953 1.00 10.73 C ATOM 171 CD2 LEU A 34 16.647 -4.804 5.257 1.00 9.90 C ATOM 172 H LEU A 34 17.512 -6.186 0.587 1.00 0.00 H ATOM 173 N LEU A 35 20.325 -5.031 1.874 1.00 11.46 N ATOM 174 CA LEU A 35 21.741 -4.803 2.145 1.00 13.30 C ATOM 175 C LEU A 35 22.333 -3.725 1.221 1.00 14.75 C ATOM 176 O LEU A 35 23.058 -2.844 1.667 1.00 15.28 O ATOM 177 CB LEU A 35 22.533 -6.105 2.055 1.00 13.90 C ATOM 178 CG LEU A 35 24.000 -6.000 2.491 1.00 14.46 C ATOM 179 CD1 LEU A 35 24.117 -5.625 3.979 1.00 16.28 C ATOM 180 CD2 LEU A 35 24.747 -7.299 2.223 1.00 15.84 C ATOM 181 H LEU A 35 19.994 -5.982 1.613 1.00 0.00 H ATOM 182 N LYS A 36 21.987 -3.792 -0.063 1.00 16.08 N ATOM 183 CA LYS A 36 22.431 -2.813 -1.058 1.00 17.82 C ATOM 184 C LYS A 36 21.977 -1.404 -0.685 1.00 17.64 C ATOM 185 O LYS A 36 22.735 -0.434 -0.777 1.00 18.22 O ATOM 186 CB LYS A 36 21.889 -3.200 -2.434 1.00 19.20 C ATOM 187 CG LYS A 36 22.361 -2.297 -3.571 1.00 21.89 C ATOM 188 CD LYS A 36 21.679 -2.640 -4.880 1.00 25.67 C ATOM 189 CE LYS A 36 22.281 -1.845 -6.033 1.00 27.73 C ATOM 190 NZ LYS A 36 21.779 -2.294 -7.366 1.00 29.10 N ATOM 191 HZ1 LYS A 36 22.022 -3.295 -7.507 1.00 0.00 H ATOM 192 HZ2 LYS A 36 20.746 -2.178 -7.403 1.00 0.00 H ATOM 193 HZ3 LYS A 36 22.221 -1.720 -8.113 1.00 0.00 H ATOM 194 H LYS A 36 21.375 -4.573 -0.373 1.00 0.00 H ATOM 195 N LEU A 37 20.729 -1.300 -0.259 1.00 17.04 N ATOM 196 CA LEU A 37 20.191 -0.052 0.205 1.00 16.42 C ATOM 197 C LEU A 37 21.006 0.527 1.380 1.00 15.67 C ATOM 198 O LEU A 37 21.375 1.700 1.375 1.00 15.77 O ATOM 199 CB LEU A 37 18.733 -0.281 0.566 1.00 16.85 C ATOM 200 CG LEU A 37 17.847 0.899 0.904 1.00 16.83 C ATOM 201 CD1 LEU A 37 16.380 0.491 0.718 1.00 16.74 C ATOM 202 CD2 LEU A 37 18.135 1.385 2.318 1.00 17.58 C ATOM 203 H LEU A 37 20.122 -2.144 -0.260 1.00 0.00 H ATOM 204 N LEU A 38 21.289 -0.297 2.389 1.00 14.69 N ATOM 205 CA LEU A 38 22.033 0.165 3.571 1.00 14.48 C ATOM 206 C LEU A 38 23.450 0.621 3.221 1.00 15.37 C ATOM 207 O LEU A 38 23.931 1.643 3.721 1.00 15.29 O ATOM 208 CB LEU A 38 22.079 -0.933 4.639 1.00 13.99 C ATOM 209 CG LEU A 38 20.741 -1.528 5.111 1.00 11.60 C ATOM 210 CD1 LEU A 38 20.978 -2.667 6.066 1.00 13.57 C ATOM 211 CD2 LEU A 38 19.816 -0.474 5.731 1.00 13.16 C ATOM 212 H LEU A 38 20.977 -1.288 2.339 1.00 0.00 H ATOM 213 N LYS A 39 24.111 -0.133 2.352 1.00 16.42 N ATOM 214 CA LYS A 39 25.469 0.214 1.961 1.00 17.92 C ATOM 215 C LYS A 39 25.505 1.535 1.192 1.00 18.32 C ATOM 216 O LYS A 39 26.493 2.274 1.276 1.00 18.94 O ATOM 217 CB LYS A 39 26.114 -0.928 1.178 1.00 18.65 C ATOM 218 CG LYS A 39 26.238 -2.211 2.000 1.00 20.33 C ATOM 219 CD LYS A 39 27.139 -3.243 1.354 1.00 23.95 C ATOM 220 CE LYS A 39 27.360 -4.427 2.286 1.00 25.88 C ATOM 221 NZ LYS A 39 28.468 -5.318 1.836 1.00 28.30 N ATOM 222 HZ1 LYS A 39 28.248 -5.693 0.891 1.00 0.00 H ATOM 223 HZ2 LYS A 39 29.354 -4.775 1.796 1.00 0.00 H ATOM 224 HZ3 LYS A 39 28.573 -6.105 2.507 1.00 0.00 H ATOM 225 H LYS A 39 23.656 -0.977 1.948 1.00 0.00 H ATOM 226 N SER A 40 24.421 1.852 0.481 1.00 18.28 N ATOM 227 CA SER A 40 24.340 3.112 -0.274 1.00 18.84 C ATOM 228 C SER A 40 24.393 4.357 0.617 1.00 19.02 C ATOM 229 O SER A 40 24.713 5.447 0.140 1.00 19.74 O ATOM 230 CB SER A 40 23.101 3.139 -1.176 1.00 19.00 C ATOM 231 OG SER A 40 21.943 3.567 -0.474 1.00 19.62 O ATOM 232 HG SER A 40 21.766 2.947 0.278 1.00 0.00 H ATOM 233 H SER A 40 23.616 1.194 0.460 1.00 0.00 H ATOM 234 N VAL A 41 24.088 4.196 1.903 1.00 18.60 N ATOM 235 CA VAL A 41 24.197 5.298 2.856 1.00 18.83 C ATOM 236 C VAL A 41 25.290 5.072 3.902 1.00 19.29 C ATOM 237 O VAL A 41 25.230 5.627 4.999 1.00 19.99 O ATOM 238 CB VAL A 41 22.838 5.660 3.521 1.00 18.33 C ATOM 239 CG1 VAL A 41 21.911 6.294 2.495 1.00 19.30 C ATOM 240 CG2 VAL A 41 22.178 4.447 4.189 1.00 18.86 C ATOM 241 H VAL A 41 23.765 3.265 2.236 1.00 0.00 H ATOM 242 N GLY A 42 26.268 4.235 3.555 1.00 19.91 N ATOM 243 CA GLY A 42 27.500 4.127 4.334 1.00 20.68 C ATOM 244 C GLY A 42 27.692 2.916 5.227 1.00 20.85 C ATOM 245 O GLY A 42 28.726 2.809 5.896 1.00 21.54 O ATOM 246 H GLY A 42 26.151 3.643 2.708 1.00 0.00 H ATOM 247 N ALA A 43 26.719 2.001 5.249 1.00 20.89 N ATOM 248 CA ALA A 43 26.842 0.771 6.034 1.00 21.19 C ATOM 249 C ALA A 43 27.922 -0.128 5.438 1.00 21.67 C ATOM 250 O ALA A 43 28.120 -0.144 4.220 1.00 21.48 O ATOM 251 CB ALA A 43 25.513 0.046 6.104 1.00 20.74 C ATOM 252 H ALA A 43 25.854 2.166 4.696 1.00 0.00 H ATOM 253 N GLN A 44 28.601 -0.889 6.298 1.00 22.06 N ATOM 254 CA GLN A 44 29.835 -1.592 5.915 1.00 22.74 C ATOM 255 C GLN A 44 29.841 -3.109 6.160 1.00 22.08 C ATOM 256 O GLN A 44 30.821 -3.785 5.825 1.00 23.26 O ATOM 257 CB GLN A 44 31.034 -0.977 6.656 1.00 23.74 C ATOM 258 CG GLN A 44 31.238 0.526 6.454 1.00 25.98 C ATOM 259 CD GLN A 44 31.856 0.871 5.109 1.00 29.41 C ATOM 260 OE1 GLN A 44 32.927 0.368 4.752 1.00 31.89 O ATOM 261 NE2 GLN A 44 31.193 1.751 4.364 1.00 30.88 N ATOM 262 HE22 GLN A 44 30.295 2.149 4.705 1.00 0.00 H ATOM 263 HE21 GLN A 44 31.573 2.041 3.441 1.00 0.00 H ATOM 264 H GLN A 44 28.246 -0.988 7.271 1.00 0.00 H ATOM 265 N LYS A 45 28.768 -3.635 6.746 1.00 20.44 N ATOM 266 CA LYS A 45 28.739 -5.007 7.266 1.00 19.02 C ATOM 267 C LYS A 45 27.675 -5.857 6.572 1.00 16.74 C ATOM 268 O LYS A 45 26.912 -5.353 5.747 1.00 15.76 O ATOM 269 CB LYS A 45 28.436 -4.987 8.770 1.00 20.26 C ATOM 270 CG LYS A 45 29.302 -4.074 9.620 1.00 21.73 C ATOM 271 CD LYS A 45 28.879 -4.159 11.084 1.00 23.41 C ATOM 272 CE LYS A 45 27.591 -3.391 11.395 1.00 23.43 C ATOM 273 NZ LYS A 45 27.466 -3.198 12.875 1.00 24.69 N ATOM 274 HZ1 LYS A 45 27.437 -4.126 13.343 1.00 0.00 H ATOM 275 HZ2 LYS A 45 28.284 -2.658 13.223 1.00 0.00 H ATOM 276 HZ3 LYS A 45 26.591 -2.676 13.083 1.00 0.00 H ATOM 277 H LYS A 45 27.914 -3.049 6.839 1.00 0.00 H ATOM 278 N ASP A 46 27.617 -7.141 6.926 1.00 15.01 N ATOM 279 CA ASP A 46 26.530 -8.033 6.511 1.00 14.38 C ATOM 280 C ASP A 46 25.495 -8.266 7.610 1.00 12.77 C ATOM 281 O ASP A 46 24.375 -8.672 7.318 1.00 13.45 O ATOM 282 CB ASP A 46 27.068 -9.406 6.080 1.00 15.70 C ATOM 283 CG ASP A 46 27.780 -9.372 4.746 1.00 18.19 C ATOM 284 OD1 ASP A 46 27.729 -8.337 4.058 1.00 19.78 O ATOM 285 OD2 ASP A 46 28.400 -10.403 4.391 1.00 23.37 O ATOM 286 H ASP A 46 28.376 -7.527 7.523 1.00 0.00 H ATOM 287 N THR A 47 25.893 -8.039 8.859 1.00 11.89 N ATOM 288 CA THR A 47 25.048 -8.289 10.039 1.00 11.99 C ATOM 289 C THR A 47 24.886 -7.007 10.814 1.00 11.03 C ATOM 290 O THR A 47 25.840 -6.245 10.972 1.00 12.66 O ATOM 291 CB THR A 47 25.665 -9.279 11.038 1.00 12.62 C ATOM 292 OG1 THR A 47 26.917 -8.761 11.510 1.00 14.27 O ATOM 293 CG2 THR A 47 25.831 -10.652 10.421 1.00 13.62 C ATOM 294 HG1 THR A 47 26.765 -7.891 11.957 1.00 0.00 H ATOM 295 H THR A 47 26.852 -7.665 9.010 1.00 0.00 H ATOM 296 N TYR A 48 23.674 -6.768 11.308 1.00 9.83 N ATOM 297 CA TYR A 48 23.289 -5.509 11.925 1.00 8.72 C ATOM 298 C TYR A 48 22.369 -5.778 13.081 1.00 8.00 C ATOM 299 O TYR A 48 21.670 -6.784 13.100 1.00 9.19 O ATOM 300 CB TYR A 48 22.498 -4.651 10.918 1.00 9.10 C ATOM 301 CG TYR A 48 23.322 -4.215 9.740 1.00 9.57 C ATOM 302 CD1 TYR A 48 23.458 -5.038 8.618 1.00 9.92 C ATOM 303 CD2 TYR A 48 24.042 -3.024 9.775 1.00 12.78 C ATOM 304 CE1 TYR A 48 24.246 -4.663 7.544 1.00 11.35 C ATOM 305 CE2 TYR A 48 24.848 -2.651 8.711 1.00 13.85 C ATOM 306 CZ TYR A 48 24.943 -3.471 7.601 1.00 12.47 C ATOM 307 OH TYR A 48 25.739 -3.086 6.550 1.00 14.80 O ATOM 308 HH TYR A 48 25.701 -3.774 5.839 1.00 0.00 H ATOM 309 H TYR A 48 22.962 -7.524 11.250 1.00 0.00 H ATOM 310 N THR A 49 22.281 -4.841 14.013 1.00 7.87 N ATOM 311 CA THR A 49 21.143 -4.855 14.930 1.00 8.09 C ATOM 312 C THR A 49 19.947 -4.202 14.216 1.00 7.46 C ATOM 313 O THR A 49 20.115 -3.403 13.278 1.00 7.42 O ATOM 314 CB THR A 49 21.415 -4.074 16.220 1.00 8.06 C ATOM 315 OG1 THR A 49 21.779 -2.748 15.847 1.00 8.80 O ATOM 316 CG2 THR A 49 22.520 -4.720 17.039 1.00 9.54 C ATOM 317 HG1 THR A 49 21.962 -2.216 16.661 1.00 0.00 H ATOM 318 H THR A 49 23.012 -4.105 14.091 1.00 0.00 H ATOM 319 N MET A 50 18.738 -4.504 14.681 1.00 6.95 N ATOM 320 CA MET A 50 17.554 -3.843 14.132 1.00 6.72 C ATOM 321 C MET A 50 17.655 -2.322 14.262 1.00 6.99 C ATOM 322 O MET A 50 17.279 -1.598 13.343 1.00 7.39 O ATOM 323 CB MET A 50 16.288 -4.360 14.795 1.00 6.62 C ATOM 324 CG MET A 50 15.889 -5.750 14.357 1.00 7.65 C ATOM 325 SD MET A 50 15.473 -5.921 12.592 1.00 9.24 S ATOM 326 CE MET A 50 13.830 -5.200 12.559 1.00 9.79 C ATOM 327 H MET A 50 18.634 -5.211 15.436 1.00 0.00 H ATOM 328 N LYS A 51 18.183 -1.824 15.380 1.00 7.63 N ATOM 329 CA LYS A 51 18.331 -0.379 15.542 1.00 8.08 C ATOM 330 C LYS A 51 19.264 0.223 14.479 1.00 7.62 C ATOM 331 O LYS A 51 19.017 1.347 14.002 1.00 8.39 O ATOM 332 CB LYS A 51 18.756 0.014 16.982 1.00 9.00 C ATOM 333 CG LYS A 51 20.075 -0.544 17.515 1.00 9.09 C ATOM 334 CD LYS A 51 20.421 -0.035 18.927 1.00 11.08 C ATOM 335 CE LYS A 51 19.535 -0.676 19.977 1.00 11.03 C ATOM 336 NZ LYS A 51 19.827 -0.108 21.326 1.00 10.66 N ATOM 337 HZ1 LYS A 51 20.822 -0.287 21.568 1.00 0.00 H ATOM 338 HZ2 LYS A 51 19.651 0.917 21.315 1.00 0.00 H ATOM 339 HZ3 LYS A 51 19.211 -0.559 22.032 1.00 0.00 H ATOM 340 H LYS A 51 18.490 -2.465 16.139 1.00 0.00 H ATOM 341 N GLU A 52 20.325 -0.492 14.108 1.00 7.55 N ATOM 342 CA GLU A 52 21.194 -0.032 13.028 1.00 7.78 C ATOM 343 C GLU A 52 20.430 -0.012 11.707 1.00 6.97 C ATOM 344 O GLU A 52 20.514 0.957 10.949 1.00 6.95 O ATOM 345 CB GLU A 52 22.424 -0.936 12.881 1.00 8.50 C ATOM 346 CG GLU A 52 23.522 -0.749 13.931 1.00 10.34 C ATOM 347 CD GLU A 52 24.670 -1.737 13.788 1.00 12.83 C ATOM 348 OE1 GLU A 52 24.425 -2.889 13.466 1.00 12.05 O ATOM 349 OE2 GLU A 52 25.854 -1.373 13.997 1.00 17.00 O ATOM 350 H GLU A 52 20.537 -1.387 14.593 1.00 0.00 H ATOM 351 N VAL A 53 19.734 -1.102 11.390 1.00 6.51 N ATOM 352 CA VAL A 53 18.972 -1.150 10.145 1.00 6.50 C ATOM 353 C VAL A 53 18.017 0.037 10.062 1.00 6.12 C ATOM 354 O VAL A 53 17.949 0.718 9.033 1.00 6.52 O ATOM 355 CB VAL A 53 18.218 -2.485 9.985 1.00 6.44 C ATOM 356 CG1 VAL A 53 17.342 -2.455 8.740 1.00 7.61 C ATOM 357 CG2 VAL A 53 19.197 -3.653 9.912 1.00 7.28 C ATOM 358 H VAL A 53 19.733 -1.921 12.031 1.00 0.00 H ATOM 359 N LEU A 54 17.273 0.277 11.140 1.00 6.02 N ATOM 360 CA LEU A 54 16.317 1.375 11.157 1.00 6.38 C ATOM 361 C LEU A 54 16.988 2.728 10.915 1.00 6.23 C ATOM 362 O LEU A 54 16.523 3.538 10.098 1.00 6.35 O ATOM 363 CB LEU A 54 15.583 1.403 12.491 1.00 7.03 C ATOM 364 CG LEU A 54 14.450 2.416 12.579 1.00 7.96 C ATOM 365 CD1 LEU A 54 13.249 1.969 11.740 1.00 9.25 C ATOM 366 CD2 LEU A 54 14.039 2.598 14.016 1.00 10.10 C ATOM 367 H LEU A 54 17.376 -0.327 11.980 1.00 0.00 H ATOM 368 N PHE A 55 18.091 2.972 11.617 1.00 6.46 N ATOM 369 CA PHE A 55 18.815 4.234 11.486 1.00 6.58 C ATOM 370 C PHE A 55 19.305 4.457 10.056 1.00 6.59 C ATOM 371 O PHE A 55 19.133 5.551 9.502 1.00 7.06 O ATOM 372 CB PHE A 55 20.004 4.243 12.453 1.00 7.37 C ATOM 373 CG PHE A 55 20.736 5.558 12.513 1.00 8.21 C ATOM 374 CD1 PHE A 55 20.257 6.587 13.317 1.00 8.58 C ATOM 375 CD2 PHE A 55 21.893 5.781 11.767 1.00 10.06 C ATOM 376 CE1 PHE A 55 20.932 7.816 13.392 1.00 9.27 C ATOM 377 CE2 PHE A 55 22.559 7.015 11.838 1.00 9.92 C ATOM 378 CZ PHE A 55 22.063 8.017 12.643 1.00 10.38 C ATOM 379 H PHE A 55 18.446 2.248 12.274 1.00 0.00 H ATOM 380 N TYR A 56 19.913 3.443 9.442 1.00 7.38 N ATOM 381 CA TYR A 56 20.353 3.582 8.061 1.00 7.68 C ATOM 382 C TYR A 56 19.183 3.787 7.108 1.00 7.18 C ATOM 383 O TYR A 56 19.303 4.561 6.153 1.00 7.78 O ATOM 384 CB TYR A 56 21.207 2.399 7.637 1.00 8.40 C ATOM 385 CG TYR A 56 22.595 2.415 8.209 1.00 10.11 C ATOM 386 CD1 TYR A 56 23.492 3.416 7.846 1.00 13.26 C ATOM 387 CD2 TYR A 56 23.034 1.409 9.076 1.00 11.35 C ATOM 388 CE1 TYR A 56 24.768 3.440 8.350 1.00 15.17 C ATOM 389 CE2 TYR A 56 24.327 1.424 9.600 1.00 14.06 C ATOM 390 CZ TYR A 56 25.184 2.444 9.221 1.00 14.82 C ATOM 391 OH TYR A 56 26.467 2.498 9.710 1.00 19.31 O ATOM 392 HH TYR A 56 26.929 3.288 9.333 1.00 0.00 H ATOM 393 H TYR A 56 20.074 2.550 9.950 1.00 0.00 H ATOM 394 N LEU A 57 18.056 3.105 7.333 1.00 6.93 N ATOM 395 CA LEU A 57 16.872 3.368 6.527 1.00 7.09 C ATOM 396 C LEU A 57 16.391 4.807 6.667 1.00 6.80 C ATOM 397 O LEU A 57 15.982 5.430 5.668 1.00 7.65 O ATOM 398 CB LEU A 57 15.751 2.379 6.852 1.00 7.66 C ATOM 399 CG LEU A 57 15.902 0.988 6.257 1.00 8.98 C ATOM 400 CD1 LEU A 57 14.869 0.060 6.845 1.00 9.50 C ATOM 401 CD2 LEU A 57 15.775 1.038 4.763 1.00 11.48 C ATOM 402 H LEU A 57 18.024 2.386 8.084 1.00 0.00 H ATOM 403 N GLY A 58 16.441 5.353 7.882 1.00 6.98 N ATOM 404 CA GLY A 58 16.114 6.760 8.048 1.00 6.98 C ATOM 405 C GLY A 58 17.045 7.669 7.249 1.00 6.66 C ATOM 406 O GLY A 58 16.601 8.623 6.612 1.00 7.47 O ATOM 407 H GLY A 58 16.712 4.777 8.705 1.00 0.00 H ATOM 408 N GLN A 59 18.345 7.372 7.287 1.00 7.24 N ATOM 409 CA GLN A 59 19.309 8.119 6.483 1.00 7.75 C ATOM 410 C GLN A 59 19.001 8.030 4.986 1.00 7.71 C ATOM 411 O GLN A 59 19.106 9.020 4.254 1.00 8.71 O ATOM 412 CB GLN A 59 20.735 7.676 6.793 1.00 8.41 C ATOM 413 CG GLN A 59 21.207 7.968 8.215 1.00 8.40 C ATOM 414 CD GLN A 59 21.529 9.438 8.495 1.00 8.64 C ATOM 415 OE1 GLN A 59 21.568 10.282 7.598 1.00 10.38 O ATOM 416 NE2 GLN A 59 21.754 9.744 9.760 1.00 9.36 N ATOM 417 HE22 GLN A 59 21.712 9.004 10.489 1.00 0.00 H ATOM 418 HE21 GLN A 59 21.973 10.725 10.027 1.00 0.00 H ATOM 419 H GLN A 59 18.677 6.598 7.897 1.00 0.00 H ATOM 420 N TYR A 60 18.651 6.836 4.529 1.00 7.86 N ATOM 421 CA TYR A 60 18.260 6.618 3.140 1.00 7.94 C ATOM 422 C TYR A 60 17.042 7.457 2.751 1.00 7.64 C ATOM 423 O TYR A 60 17.034 8.112 1.709 1.00 8.31 O ATOM 424 CB TYR A 60 17.993 5.132 2.919 1.00 8.36 C ATOM 425 CG TYR A 60 17.543 4.786 1.526 1.00 7.84 C ATOM 426 CD1 TYR A 60 18.469 4.533 0.510 1.00 9.03 C ATOM 427 CD2 TYR A 60 16.183 4.673 1.222 1.00 8.82 C ATOM 428 CE1 TYR A 60 18.058 4.194 -0.774 1.00 9.98 C ATOM 429 CE2 TYR A 60 15.762 4.335 -0.050 1.00 8.70 C ATOM 430 CZ TYR A 60 16.700 4.098 -1.048 1.00 9.35 C ATOM 431 OH TYR A 60 16.281 3.753 -2.312 1.00 10.33 O ATOM 432 HH TYR A 60 15.714 4.477 -2.680 1.00 0.00 H ATOM 433 H TYR A 60 18.655 6.027 5.183 1.00 0.00 H ATOM 434 N ILE A 61 16.020 7.446 3.601 1.00 7.63 N ATOM 435 CA ILE A 61 14.805 8.229 3.356 1.00 7.77 C ATOM 436 C ILE A 61 15.146 9.711 3.225 1.00 8.27 C ATOM 437 O ILE A 61 14.603 10.411 2.355 1.00 8.62 O ATOM 438 CB ILE A 61 13.772 7.967 4.463 1.00 7.75 C ATOM 439 CG1 ILE A 61 13.193 6.561 4.272 1.00 8.00 C ATOM 440 CG2 ILE A 61 12.672 9.051 4.470 1.00 8.66 C ATOM 441 CD1 ILE A 61 12.473 6.022 5.481 1.00 8.50 C ATOM 442 H ILE A 61 16.084 6.867 4.462 1.00 0.00 H ATOM 443 N MET A 62 16.056 10.193 4.069 1.00 8.47 N ATOM 444 CA MET A 62 16.412 11.596 3.957 1.00 8.93 C ATOM 445 C MET A 62 17.243 11.900 2.722 1.00 9.69 C ATOM 446 O MET A 62 16.963 12.891 2.041 1.00 10.63 O ATOM 447 CB MET A 62 17.070 12.121 5.212 1.00 8.57 C ATOM 448 CG MET A 62 16.122 12.209 6.365 1.00 6.30 C ATOM 449 SD MET A 62 16.917 12.855 7.845 1.00 6.82 S ATOM 450 CE MET A 62 18.066 11.528 8.208 1.00 6.63 C ATOM 451 H MET A 62 16.498 9.583 4.786 1.00 0.00 H ATOM 452 N THR A 63 18.214 11.064 2.374 1.00 9.96 N ATOM 453 CA THR A 63 19.033 11.368 1.186 1.00 11.21 C ATOM 454 C THR A 63 18.220 11.288 -0.098 1.00 11.06 C ATOM 455 O THR A 63 18.449 12.067 -1.029 1.00 12.21 O ATOM 456 CB THR A 63 20.298 10.484 1.022 1.00 12.26 C ATOM 457 OG1 THR A 63 19.938 9.115 0.835 1.00 13.55 O ATOM 458 CG2 THR A 63 21.242 10.627 2.178 1.00 12.37 C ATOM 459 HG1 THR A 63 19.427 8.799 1.622 1.00 0.00 H ATOM 460 H THR A 63 18.395 10.205 2.932 1.00 0.00 H ATOM 461 N LYS A 64 17.273 10.365 -0.161 1.00 11.09 N ATOM 462 CA LYS A 64 16.426 10.231 -1.350 1.00 11.80 C ATOM 463 C LYS A 64 15.197 11.156 -1.296 1.00 12.01 C ATOM 464 O LYS A 64 14.409 11.198 -2.241 1.00 12.49 O ATOM 465 CB LYS A 64 15.978 8.775 -1.530 1.00 12.65 C ATOM 466 CG LYS A 64 17.092 7.741 -1.720 1.00 14.91 C ATOM 467 CD LYS A 64 17.787 7.851 -3.070 1.00 19.01 C ATOM 468 CE LYS A 64 16.900 7.424 -4.242 1.00 20.43 C ATOM 469 NZ LYS A 64 16.816 5.956 -4.481 1.00 22.12 N ATOM 470 HZ1 LYS A 64 17.766 5.584 -4.681 1.00 0.00 H ATOM 471 HZ2 LYS A 64 16.430 5.490 -3.635 1.00 0.00 H ATOM 472 HZ3 LYS A 64 16.193 5.773 -5.294 1.00 0.00 H ATOM 473 H LYS A 64 17.128 9.725 0.646 1.00 0.00 H ATOM 474 N ARG A 65 15.030 11.865 -0.182 1.00 11.98 N ATOM 475 CA ARG A 65 13.891 12.775 0.055 1.00 12.76 C ATOM 476 C ARG A 65 12.557 12.107 -0.207 1.00 11.55 C ATOM 477 O ARG A 65 11.699 12.625 -0.934 1.00 12.49 O ATOM 478 CB ARG A 65 14.053 14.090 -0.700 1.00 14.65 C ATOM 479 CG ARG A 65 15.093 14.943 -0.037 1.00 17.45 C ATOM 480 CD ARG A 65 15.694 15.892 -1.002 1.00 21.67 C ATOM 481 NE ARG A 65 14.792 17.004 -1.232 1.00 23.42 N ATOM 482 CZ ARG A 65 15.055 17.997 -2.068 1.00 25.07 C ATOM 483 NH1 ARG A 65 14.183 18.977 -2.230 1.00 26.29 N ATOM 484 NH2 ARG A 65 16.189 17.992 -2.748 1.00 25.59 N ATOM 485 HE ARG A 65 13.891 17.023 -0.713 1.00 0.00 H ATOM 486 HH12 ARG A 65 14.392 19.756 -2.887 1.00 0.00 H ATOM 487 HH11 ARG A 65 13.288 18.970 -1.700 1.00 0.00 H ATOM 488 HH22 ARG A 65 16.404 18.768 -3.407 1.00 0.00 H ATOM 489 HH21 ARG A 65 16.866 17.212 -2.624 1.00 0.00 H ATOM 490 H ARG A 65 15.745 11.773 0.567 1.00 0.00 H ATOM 491 N LEU A 66 12.374 10.955 0.423 1.00 9.70 N ATOM 492 CA LEU A 66 11.140 10.235 0.258 1.00 9.57 C ATOM 493 C LEU A 66 10.036 10.778 1.146 1.00 9.32 C ATOM 494 O LEU A 66 8.864 10.523 0.886 1.00 9.83 O ATOM 495 CB LEU A 66 11.349 8.754 0.518 1.00 9.30 C ATOM 496 CG LEU A 66 12.385 8.033 -0.347 1.00 9.82 C ATOM 497 CD1 LEU A 66 12.451 6.561 -0.018 1.00 10.22 C ATOM 498 CD2 LEU A 66 12.155 8.227 -1.843 1.00 11.21 C ATOM 499 H LEU A 66 13.122 10.572 1.036 1.00 0.00 H ATOM 500 N TYR A 67 10.399 11.515 2.197 1.00 9.98 N ATOM 501 CA TYR A 67 9.385 12.130 3.055 1.00 10.20 C ATOM 502 C TYR A 67 8.744 13.318 2.332 1.00 10.70 C ATOM 503 O TYR A 67 9.378 13.974 1.498 1.00 10.95 O ATOM 504 CB TYR A 67 9.986 12.542 4.413 1.00 11.15 C ATOM 505 CG TYR A 67 11.059 13.599 4.289 1.00 11.57 C ATOM 506 CD1 TYR A 67 10.739 14.954 4.378 1.00 12.68 C ATOM 507 CD2 TYR A 67 12.395 13.248 4.081 1.00 13.09 C ATOM 508 CE1 TYR A 67 11.712 15.932 4.229 1.00 13.74 C ATOM 509 CE2 TYR A 67 13.375 14.214 3.945 1.00 14.18 C ATOM 510 CZ TYR A 67 13.031 15.555 4.023 1.00 14.41 C ATOM 511 OH TYR A 67 14.001 16.523 3.886 1.00 16.16 O ATOM 512 HH TYR A 67 13.586 17.418 3.967 1.00 0.00 H ATOM 513 H TYR A 67 11.408 11.653 2.408 1.00 0.00 H ATOM 514 N ASP A 68 7.476 13.577 2.636 1.00 11.12 N ATOM 515 CA ASP A 68 6.747 14.727 2.094 1.00 11.90 C ATOM 516 C ASP A 68 7.311 15.988 2.767 1.00 11.83 C ATOM 517 O ASP A 68 7.309 16.111 3.987 1.00 12.21 O ATOM 518 CB ASP A 68 5.235 14.537 2.347 1.00 12.22 C ATOM 519 CG ASP A 68 4.358 15.695 1.846 1.00 14.17 C ATOM 520 OD1 ASP A 68 4.826 16.831 1.701 1.00 16.02 O ATOM 521 OD2 ASP A 68 3.143 15.453 1.641 1.00 17.34 O ATOM 522 H ASP A 68 6.980 12.935 3.287 1.00 0.00 H ATOM 523 N GLU A 69 7.814 16.921 1.967 1.00 13.47 N ATOM 524 CA GLU A 69 8.443 18.116 2.518 1.00 15.74 C ATOM 525 C GLU A 69 7.497 18.970 3.364 1.00 15.25 C ATOM 526 O GLU A 69 7.932 19.678 4.262 1.00 16.52 O ATOM 527 CB GLU A 69 9.051 18.952 1.390 1.00 17.57 C ATOM 528 CG GLU A 69 10.093 18.193 0.576 1.00 22.66 C ATOM 529 CD GLU A 69 10.848 19.059 -0.430 1.00 27.15 C ATOM 530 OE1 GLU A 69 10.327 20.118 -0.866 1.00 29.89 O ATOM 531 OE2 GLU A 69 11.973 18.659 -0.791 1.00 28.64 O ATOM 532 H GLU A 69 7.759 16.798 0.936 1.00 0.00 H ATOM 533 N LYS A 70 6.205 18.893 3.069 1.00 14.23 N ATOM 534 CA LYS A 70 5.178 19.639 3.794 1.00 14.82 C ATOM 535 C LYS A 70 4.466 18.852 4.882 1.00 13.35 C ATOM 536 O LYS A 70 3.710 19.435 5.667 1.00 15.41 O ATOM 537 CB LYS A 70 4.104 20.135 2.827 1.00 15.98 C ATOM 538 CG LYS A 70 4.547 21.166 1.814 1.00 19.43 C ATOM 539 CD LYS A 70 3.332 21.739 1.091 1.00 23.75 C ATOM 540 CE LYS A 70 3.719 22.531 -0.148 1.00 26.13 C ATOM 541 NZ LYS A 70 2.520 22.933 -0.934 1.00 28.53 N ATOM 542 HZ1 LYS A 70 2.003 22.082 -1.234 1.00 0.00 H ATOM 543 HZ2 LYS A 70 1.902 23.525 -0.343 1.00 0.00 H ATOM 544 HZ3 LYS A 70 2.821 23.471 -1.772 1.00 0.00 H ATOM 545 H LYS A 70 5.910 18.274 2.287 1.00 0.00 H ATOM 546 N GLN A 71 4.635 17.531 4.879 1.00 10.64 N ATOM 547 CA GLN A 71 4.035 16.651 5.878 1.00 9.23 C ATOM 548 C GLN A 71 5.078 15.593 6.192 1.00 8.63 C ATOM 549 O GLN A 71 5.045 14.477 5.669 1.00 7.81 O ATOM 550 CB GLN A 71 2.750 16.015 5.337 1.00 9.25 C ATOM 551 CG GLN A 71 1.628 17.028 5.023 1.00 11.23 C ATOM 552 CD GLN A 71 1.092 17.751 6.265 1.00 11.74 C ATOM 553 OE1 GLN A 71 1.227 17.277 7.380 1.00 12.77 O ATOM 554 NE2 GLN A 71 0.446 18.887 6.054 1.00 14.51 N ATOM 555 HE22 GLN A 71 0.352 19.260 5.088 1.00 0.00 H ATOM 556 HE21 GLN A 71 0.033 19.407 6.855 1.00 0.00 H ATOM 557 H GLN A 71 5.221 17.107 4.131 1.00 0.00 H ATOM 558 N GLN A 72 6.030 15.974 7.033 1.00 8.18 N ATOM 559 CA GLN A 72 7.312 15.264 7.141 1.00 8.79 C ATOM 560 C GLN A 72 7.228 13.954 7.897 1.00 8.10 C ATOM 561 O GLN A 72 8.221 13.250 8.007 1.00 8.54 O ATOM 562 CB GLN A 72 8.382 16.197 7.719 1.00 10.83 C ATOM 563 CG GLN A 72 8.508 17.465 6.895 1.00 12.49 C ATOM 564 CD GLN A 72 9.835 18.142 7.000 1.00 16.54 C ATOM 565 OE1 GLN A 72 10.603 17.889 7.917 1.00 16.00 O ATOM 566 NE2 GLN A 72 10.129 19.010 6.028 1.00 18.86 N ATOM 567 HE22 GLN A 72 9.442 19.192 5.268 1.00 0.00 H ATOM 568 HE21 GLN A 72 11.044 19.503 6.031 1.00 0.00 H ATOM 569 H GLN A 72 5.863 16.804 7.637 1.00 0.00 H ATOM 570 N HIS A 73 6.042 13.623 8.403 1.00 7.36 N ATOM 571 CA HIS A 73 5.771 12.321 9.001 1.00 7.24 C ATOM 572 C HIS A 73 5.225 11.309 7.989 1.00 7.12 C ATOM 573 O HIS A 73 4.953 10.169 8.354 1.00 7.42 O ATOM 574 CB HIS A 73 4.802 12.460 10.180 1.00 7.81 C ATOM 575 CG HIS A 73 3.474 13.008 9.787 1.00 8.48 C ATOM 576 ND1 HIS A 73 3.339 14.254 9.212 1.00 9.04 N ATOM 577 CD2 HIS A 73 2.235 12.476 9.850 1.00 9.06 C ATOM 578 CE1 HIS A 73 2.061 14.467 8.953 1.00 9.77 C ATOM 579 NE2 HIS A 73 1.369 13.410 9.336 1.00 10.11 N ATOM 580 H HIS A 73 5.275 14.324 8.370 1.00 0.00 H ATOM 581 N ILE A 74 5.054 11.726 6.733 1.00 6.76 N ATOM 582 CA ILE A 74 4.584 10.836 5.687 1.00 7.07 C ATOM 583 C ILE A 74 5.705 10.537 4.714 1.00 7.12 C ATOM 584 O ILE A 74 6.358 11.458 4.217 1.00 8.46 O ATOM 585 CB ILE A 74 3.371 11.430 4.932 1.00 7.82 C ATOM 586 CG1 ILE A 74 2.264 11.838 5.915 1.00 8.81 C ATOM 587 CG2 ILE A 74 2.879 10.451 3.848 1.00 8.91 C ATOM 588 CD1 ILE A 74 1.622 10.692 6.723 1.00 10.05 C ATOM 589 H ILE A 74 5.263 12.717 6.497 1.00 0.00 H ATOM 590 N VAL A 75 5.921 9.247 4.451 1.00 7.30 N ATOM 591 CA VAL A 75 6.894 8.816 3.457 1.00 7.63 C ATOM 592 C VAL A 75 6.172 8.283 2.238 1.00 7.92 C ATOM 593 O VAL A 75 5.325 7.405 2.354 1.00 8.54 O ATOM 594 CB VAL A 75 7.851 7.752 4.036 1.00 7.54 C ATOM 595 CG1 VAL A 75 8.684 7.098 2.929 1.00 8.70 C ATOM 596 CG2 VAL A 75 8.740 8.391 5.084 1.00 9.39 C ATOM 597 H VAL A 75 5.379 8.528 4.971 1.00 0.00 H ATOM 598 N TYR A 76 6.529 8.820 1.076 1.00 8.52 N ATOM 599 CA TYR A 76 6.064 8.279 -0.205 1.00 8.95 C ATOM 600 C TYR A 76 7.218 7.500 -0.807 1.00 9.11 C ATOM 601 O TYR A 76 8.228 8.079 -1.213 1.00 10.07 O ATOM 602 CB TYR A 76 5.569 9.385 -1.150 1.00 10.09 C ATOM 603 CG TYR A 76 4.315 10.045 -0.636 1.00 9.64 C ATOM 604 CD1 TYR A 76 3.080 9.441 -0.809 1.00 10.51 C ATOM 605 CD2 TYR A 76 4.360 11.269 0.022 1.00 11.71 C ATOM 606 CE1 TYR A 76 1.934 10.021 -0.323 1.00 11.39 C ATOM 607 CE2 TYR A 76 3.202 11.867 0.499 1.00 12.70 C ATOM 608 CZ TYR A 76 2.002 11.224 0.330 1.00 11.47 C ATOM 609 OH TYR A 76 0.842 11.808 0.806 1.00 12.95 O ATOM 610 HH TYR A 76 0.071 11.220 0.605 1.00 0.00 H ATOM 611 H TYR A 76 7.157 9.649 1.075 1.00 0.00 H ATOM 612 N CYS A 77 7.050 6.187 -0.854 1.00 9.19 N ATOM 613 CA CYS A 77 8.111 5.294 -1.292 1.00 8.74 C ATOM 614 C CYS A 77 7.822 4.593 -2.617 1.00 9.31 C ATOM 615 O CYS A 77 8.635 3.795 -3.080 1.00 9.44 O ATOM 616 CB CYS A 77 8.492 4.300 -0.175 1.00 9.14 C ATOM 617 SG CYS A 77 7.078 3.492 0.635 1.00 9.31 S ATOM 618 H CYS A 77 6.134 5.784 -0.570 1.00 0.00 H ATOM 619 N SER A 78 6.693 4.909 -3.253 1.00 9.93 N ATOM 620 CA SER A 78 6.429 4.421 -4.610 1.00 10.73 C ATOM 621 C SER A 78 7.548 4.836 -5.565 1.00 9.88 C ATOM 622 O SER A 78 8.136 5.907 -5.429 1.00 11.17 O ATOM 623 CB SER A 78 5.097 4.971 -5.128 1.00 11.91 C ATOM 624 OG SER A 78 5.008 6.373 -4.970 1.00 17.02 O ATOM 625 HG SER A 78 4.135 6.688 -5.316 1.00 0.00 H ATOM 626 H SER A 78 5.989 5.511 -2.779 1.00 0.00 H ATOM 627 N ASN A 79 7.852 3.977 -6.529 1.00 10.18 N ATOM 628 CA ASN A 79 8.878 4.262 -7.542 1.00 10.42 C ATOM 629 C ASN A 79 10.280 4.352 -6.957 1.00 10.89 C ATOM 630 O ASN A 79 11.169 4.987 -7.534 1.00 13.03 O ATOM 631 CB ASN A 79 8.516 5.516 -8.357 1.00 10.50 C ATOM 632 CG ASN A 79 7.116 5.449 -8.893 1.00 10.48 C ATOM 633 OD1 ASN A 79 6.700 4.409 -9.402 1.00 11.44 O ATOM 634 ND2 ASN A 79 6.360 6.528 -8.746 1.00 10.75 N ATOM 635 HD22 ASN A 79 6.756 7.385 -8.310 1.00 0.00 H ATOM 636 HD21 ASN A 79 5.371 6.518 -9.067 1.00 0.00 H ATOM 637 H ASN A 79 7.346 3.069 -6.569 1.00 0.00 H ATOM 638 N ASP A 80 10.462 3.727 -5.795 1.00 10.53 N ATOM 639 CA ASP A 80 11.754 3.628 -5.166 1.00 9.95 C ATOM 640 C ASP A 80 11.874 2.195 -4.697 1.00 9.35 C ATOM 641 O ASP A 80 10.875 1.574 -4.312 1.00 9.31 O ATOM 642 CB ASP A 80 11.882 4.595 -3.980 1.00 10.19 C ATOM 643 CG ASP A 80 13.297 4.664 -3.450 1.00 9.98 C ATOM 644 OD1 ASP A 80 14.038 5.560 -3.876 1.00 12.32 O ATOM 645 OD2 ASP A 80 13.688 3.815 -2.624 1.00 9.33 O ATOM 646 H ASP A 80 9.641 3.295 -5.325 1.00 0.00 H ATOM 647 N LEU A 81 13.098 1.673 -4.695 1.00 8.84 N ATOM 648 CA LEU A 81 13.344 0.342 -4.169 1.00 8.86 C ATOM 649 C LEU A 81 12.721 0.140 -2.788 1.00 8.37 C ATOM 650 O LEU A 81 12.205 -0.937 -2.503 1.00 9.03 O ATOM 651 CB LEU A 81 14.853 0.078 -4.103 1.00 10.30 C ATOM 652 CG LEU A 81 15.290 -1.270 -3.488 1.00 12.63 C ATOM 653 CD1 LEU A 81 14.715 -2.483 -4.240 1.00 14.09 C ATOM 654 CD2 LEU A 81 16.803 -1.354 -3.358 1.00 15.84 C ATOM 655 H LEU A 81 13.891 2.227 -5.076 1.00 0.00 H ATOM 656 N LEU A 82 12.763 1.162 -1.925 1.00 8.62 N ATOM 657 CA LEU A 82 12.144 1.000 -0.605 1.00 8.53 C ATOM 658 C LEU A 82 10.669 0.603 -0.672 1.00 8.30 C ATOM 659 O LEU A 82 10.227 -0.250 0.103 1.00 8.67 O ATOM 660 CB LEU A 82 12.319 2.259 0.238 1.00 8.96 C ATOM 661 CG LEU A 82 11.696 2.207 1.634 1.00 9.68 C ATOM 662 CD1 LEU A 82 12.366 1.136 2.468 1.00 11.81 C ATOM 663 CD2 LEU A 82 11.828 3.547 2.325 1.00 11.84 C ATOM 664 H LEU A 82 13.227 2.056 -2.186 1.00 0.00 H ATOM 665 N GLY A 83 9.908 1.232 -1.565 1.00 8.58 N ATOM 666 CA GLY A 83 8.507 0.885 -1.729 1.00 9.55 C ATOM 667 C GLY A 83 8.308 -0.560 -2.160 1.00 9.39 C ATOM 668 O GLY A 83 7.378 -1.236 -1.701 1.00 10.42 O ATOM 669 H GLY A 83 10.322 1.983 -2.154 1.00 0.00 H ATOM 670 N ASP A 84 9.179 -1.042 -3.044 1.00 9.64 N ATOM 671 CA ASP A 84 9.088 -2.433 -3.483 1.00 10.27 C ATOM 672 C ASP A 84 9.416 -3.393 -2.344 1.00 9.48 C ATOM 673 O ASP A 84 8.776 -4.445 -2.197 1.00 10.07 O ATOM 674 CB ASP A 84 10.054 -2.744 -4.629 1.00 11.74 C ATOM 675 CG ASP A 84 9.928 -1.814 -5.785 1.00 13.81 C ATOM 676 OD1 ASP A 84 8.818 -1.700 -6.318 1.00 14.97 O ATOM 677 OD2 ASP A 84 10.961 -1.225 -6.179 1.00 16.26 O ATOM 678 H ASP A 84 9.927 -0.427 -3.423 1.00 0.00 H ATOM 679 N LEU A 85 10.422 -3.041 -1.548 1.00 8.90 N ATOM 680 CA LEU A 85 10.825 -3.905 -0.438 1.00 9.29 C ATOM 681 C LEU A 85 9.782 -3.928 0.665 1.00 8.51 C ATOM 682 O LEU A 85 9.538 -4.966 1.271 1.00 9.96 O ATOM 683 CB LEU A 85 12.175 -3.463 0.117 1.00 9.75 C ATOM 684 CG LEU A 85 13.340 -3.626 -0.859 1.00 10.86 C ATOM 685 CD1 LEU A 85 14.619 -3.288 -0.162 1.00 13.53 C ATOM 686 CD2 LEU A 85 13.411 -5.034 -1.487 1.00 13.31 C ATOM 687 H LEU A 85 10.925 -2.146 -1.716 1.00 0.00 H ATOM 688 N PHE A 86 9.159 -2.774 0.920 1.00 8.66 N ATOM 689 CA PHE A 86 8.156 -2.668 1.965 1.00 9.41 C ATOM 690 C PHE A 86 6.783 -3.158 1.503 1.00 9.91 C ATOM 691 O PHE A 86 5.950 -3.543 2.323 1.00 11.18 O ATOM 692 CB PHE A 86 8.054 -1.224 2.459 1.00 9.12 C ATOM 693 CG PHE A 86 9.041 -0.851 3.554 1.00 8.54 C ATOM 694 CD1 PHE A 86 10.146 -1.647 3.885 1.00 9.04 C ATOM 695 CD2 PHE A 86 8.842 0.312 4.269 1.00 9.13 C ATOM 696 CE1 PHE A 86 11.011 -1.279 4.924 1.00 9.85 C ATOM 697 CE2 PHE A 86 9.702 0.690 5.308 1.00 9.63 C ATOM 698 CZ PHE A 86 10.785 -0.120 5.638 1.00 10.07 C ATOM 699 H PHE A 86 9.398 -1.932 0.357 1.00 0.00 H ATOM 700 N GLY A 87 6.545 -3.126 0.189 1.00 10.03 N ATOM 701 CA GLY A 87 5.268 -3.536 -0.391 1.00 10.94 C ATOM 702 C GLY A 87 4.140 -2.535 -0.248 1.00 10.81 C ATOM 703 O GLY A 87 2.976 -2.917 -0.326 1.00 12.39 O ATOM 704 H GLY A 87 7.299 -2.796 -0.447 1.00 0.00 H ATOM 705 N VAL A 88 4.473 -1.262 -0.039 1.00 10.35 N ATOM 706 CA VAL A 88 3.471 -0.193 0.072 1.00 10.23 C ATOM 707 C VAL A 88 3.926 1.034 -0.715 1.00 9.81 C ATOM 708 O VAL A 88 5.123 1.244 -0.896 1.00 9.79 O ATOM 709 CB VAL A 88 3.211 0.223 1.553 1.00 10.16 C ATOM 710 CG1 VAL A 88 2.730 -0.952 2.387 1.00 12.21 C ATOM 711 CG2 VAL A 88 4.457 0.827 2.183 1.00 10.45 C ATOM 712 H VAL A 88 5.480 -1.016 0.049 1.00 0.00 H ATOM 713 N PRO A 89 2.975 1.885 -1.150 1.00 9.94 N ATOM 714 CA PRO A 89 3.347 3.120 -1.841 1.00 9.81 C ATOM 715 C PRO A 89 3.710 4.244 -0.877 1.00 9.46 C ATOM 716 O PRO A 89 4.347 5.204 -1.274 1.00 9.36 O ATOM 717 CB PRO A 89 2.086 3.466 -2.633 1.00 10.55 C ATOM 718 CG PRO A 89 0.986 2.907 -1.852 1.00 11.40 C ATOM 719 CD PRO A 89 1.526 1.628 -1.235 1.00 10.33 C ATOM 720 N SER A 90 3.269 4.141 0.371 1.00 9.13 N ATOM 721 CA SER A 90 3.480 5.211 1.346 1.00 9.22 C ATOM 722 C SER A 90 3.198 4.658 2.724 1.00 8.72 C ATOM 723 O SER A 90 2.530 3.623 2.853 1.00 9.65 O ATOM 724 CB SER A 90 2.536 6.392 1.074 1.00 10.46 C ATOM 725 OG SER A 90 1.179 5.982 1.135 1.00 13.45 O ATOM 726 HG SER A 90 0.592 6.759 0.957 1.00 0.00 H ATOM 727 H SER A 90 2.762 3.281 0.662 1.00 0.00 H ATOM 728 N PHE A 91 3.684 5.357 3.751 1.00 8.40 N ATOM 729 CA PHE A 91 3.383 4.997 5.132 1.00 7.97 C ATOM 730 C PHE A 91 3.595 6.206 6.018 1.00 7.57 C ATOM 731 O PHE A 91 4.300 7.141 5.648 1.00 7.83 O ATOM 732 CB PHE A 91 4.221 3.786 5.617 1.00 8.20 C ATOM 733 CG PHE A 91 5.714 3.995 5.561 1.00 7.15 C ATOM 734 CD1 PHE A 91 6.410 4.463 6.678 1.00 7.50 C ATOM 735 CD2 PHE A 91 6.434 3.715 4.406 1.00 8.06 C ATOM 736 CE1 PHE A 91 7.799 4.644 6.643 1.00 7.25 C ATOM 737 CE2 PHE A 91 7.814 3.899 4.360 1.00 8.21 C ATOM 738 CZ PHE A 91 8.502 4.371 5.479 1.00 7.71 C ATOM 739 H PHE A 91 4.293 6.179 3.562 1.00 0.00 H ATOM 740 N SER A 92 2.978 6.167 7.189 1.00 7.71 N ATOM 741 CA SER A 92 3.238 7.130 8.249 1.00 8.10 C ATOM 742 C SER A 92 4.394 6.636 9.107 1.00 7.65 C ATOM 743 O SER A 92 4.405 5.468 9.533 1.00 7.83 O ATOM 744 CB SER A 92 2.005 7.284 9.117 1.00 9.48 C ATOM 745 OG SER A 92 2.331 7.980 10.303 1.00 10.25 O ATOM 746 HG SER A 92 1.520 8.075 10.862 1.00 0.00 H ATOM 747 H SER A 92 2.278 5.417 7.358 1.00 0.00 H ATOM 748 N VAL A 93 5.353 7.517 9.381 1.00 7.08 N ATOM 749 CA VAL A 93 6.517 7.150 10.182 1.00 7.20 C ATOM 750 C VAL A 93 6.161 6.876 11.639 1.00 7.18 C ATOM 751 O VAL A 93 6.992 6.350 12.381 1.00 7.65 O ATOM 752 CB VAL A 93 7.628 8.197 10.088 1.00 7.34 C ATOM 753 CG1 VAL A 93 8.030 8.409 8.635 1.00 7.89 C ATOM 754 CG2 VAL A 93 7.214 9.494 10.758 1.00 7.80 C ATOM 755 H VAL A 93 5.271 8.488 9.017 1.00 0.00 H ATOM 756 N LYS A 94 4.947 7.251 12.047 1.00 7.57 N ATOM 757 CA LYS A 94 4.465 6.975 13.391 1.00 8.44 C ATOM 758 C LYS A 94 4.119 5.501 13.602 1.00 8.13 C ATOM 759 O LYS A 94 3.933 5.066 14.737 1.00 8.88 O ATOM 760 CB LYS A 94 3.197 7.798 13.693 1.00 10.26 C ATOM 761 CG LYS A 94 3.221 9.256 13.281 1.00 12.81 C ATOM 762 CD LYS A 94 4.133 10.019 14.189 1.00 14.41 C ATOM 763 CE LYS A 94 4.060 11.523 13.913 1.00 14.12 C ATOM 764 NZ LYS A 94 5.054 12.257 14.727 1.00 14.76 N ATOM 765 HZ1 LYS A 94 4.864 12.092 15.736 1.00 0.00 H ATOM 766 HZ2 LYS A 94 6.009 11.919 14.493 1.00 0.00 H ATOM 767 HZ3 LYS A 94 4.985 13.274 14.522 1.00 0.00 H ATOM 768 H LYS A 94 4.326 7.756 11.383 1.00 0.00 H ATOM 769 N GLU A 95 3.989 4.760 12.511 1.00 7.83 N ATOM 770 CA GLU A 95 3.536 3.383 12.573 1.00 8.54 C ATOM 771 C GLU A 95 4.714 2.447 12.827 1.00 7.03 C ATOM 772 O GLU A 95 5.147 1.707 11.938 1.00 7.49 O ATOM 773 CB GLU A 95 2.794 3.020 11.281 1.00 9.27 C ATOM 774 CG GLU A 95 1.491 3.784 11.091 1.00 12.87 C ATOM 775 CD GLU A 95 0.490 3.503 12.199 1.00 18.14 C ATOM 776 OE1 GLU A 95 0.488 2.368 12.747 1.00 20.56 O ATOM 777 OE2 GLU A 95 -0.305 4.419 12.528 1.00 22.34 O ATOM 778 H GLU A 95 4.218 5.177 11.586 1.00 0.00 H ATOM 779 N HIS A 96 5.256 2.499 14.041 1.00 7.19 N ATOM 780 CA HIS A 96 6.532 1.842 14.297 1.00 6.50 C ATOM 781 C HIS A 96 6.482 0.338 14.120 1.00 6.36 C ATOM 782 O HIS A 96 7.367 -0.248 13.507 1.00 6.58 O ATOM 783 CB HIS A 96 7.067 2.199 15.680 1.00 7.18 C ATOM 784 CG HIS A 96 7.405 3.644 15.811 1.00 7.33 C ATOM 785 ND1 HIS A 96 7.820 4.203 16.998 1.00 9.05 N ATOM 786 CD2 HIS A 96 7.415 4.637 14.888 1.00 7.43 C ATOM 787 CE1 HIS A 96 8.059 5.487 16.802 1.00 9.05 C ATOM 788 NE2 HIS A 96 7.828 5.773 15.532 1.00 7.63 N ATOM 789 H HIS A 96 4.770 3.008 14.807 1.00 0.00 H ATOM 790 N ARG A 97 5.438 -0.301 14.647 1.00 6.71 N ATOM 791 CA ARG A 97 5.300 -1.732 14.488 1.00 6.99 C ATOM 792 C ARG A 97 5.146 -2.124 13.023 1.00 6.96 C ATOM 793 O ARG A 97 5.772 -3.080 12.573 1.00 7.46 O ATOM 794 CB ARG A 97 4.150 -2.268 15.338 1.00 7.50 C ATOM 795 CG ARG A 97 3.874 -3.782 15.179 1.00 7.99 C ATOM 796 CD ARG A 97 5.143 -4.649 15.334 1.00 8.03 C ATOM 797 NE ARG A 97 5.821 -4.405 16.593 1.00 7.31 N ATOM 798 CZ ARG A 97 7.016 -4.889 16.912 1.00 6.49 C ATOM 799 NH1 ARG A 97 7.704 -5.604 16.030 1.00 6.80 N ATOM 800 NH2 ARG A 97 7.541 -4.609 18.098 1.00 7.95 N ATOM 801 HE ARG A 97 5.337 -3.809 17.295 1.00 0.00 H ATOM 802 HH12 ARG A 97 8.639 -5.982 16.283 1.00 0.00 H ATOM 803 HH11 ARG A 97 7.308 -5.787 15.086 1.00 0.00 H ATOM 804 HH22 ARG A 97 8.476 -4.985 18.354 1.00 0.00 H ATOM 805 HH21 ARG A 97 7.017 -4.014 18.771 1.00 0.00 H ATOM 806 H ARG A 97 4.718 0.232 15.176 1.00 0.00 H ATOM 807 N LYS A 98 4.324 -1.393 12.263 1.00 7.47 N ATOM 808 CA LYS A 98 4.193 -1.703 10.838 1.00 8.14 C ATOM 809 C LYS A 98 5.537 -1.595 10.120 1.00 7.38 C ATOM 810 O LYS A 98 5.861 -2.424 9.258 1.00 7.70 O ATOM 811 CB LYS A 98 3.165 -0.777 10.173 1.00 9.25 C ATOM 812 CG LYS A 98 2.855 -1.145 8.734 1.00 12.48 C ATOM 813 CD LYS A 98 1.997 -0.091 8.055 1.00 17.18 C ATOM 814 CE LYS A 98 1.729 -0.460 6.611 1.00 21.70 C ATOM 815 NZ LYS A 98 0.817 -1.637 6.530 1.00 24.97 N ATOM 816 HZ1 LYS A 98 1.257 -2.448 7.009 1.00 0.00 H ATOM 817 HZ2 LYS A 98 -0.086 -1.407 6.992 1.00 0.00 H ATOM 818 HZ3 LYS A 98 0.646 -1.874 5.532 1.00 0.00 H ATOM 819 H LYS A 98 3.782 -0.610 12.681 1.00 0.00 H ATOM 820 N ILE A 99 6.321 -0.576 10.460 1.00 7.13 N ATOM 821 CA ILE A 99 7.638 -0.409 9.855 1.00 7.26 C ATOM 822 C ILE A 99 8.552 -1.597 10.190 1.00 6.29 C ATOM 823 O ILE A 99 9.218 -2.153 9.307 1.00 6.40 O ATOM 824 CB ILE A 99 8.259 0.940 10.258 1.00 6.95 C ATOM 825 CG1 ILE A 99 7.472 2.081 9.596 1.00 7.79 C ATOM 826 CG2 ILE A 99 9.739 0.998 9.878 1.00 8.27 C ATOM 827 CD1 ILE A 99 7.750 3.451 10.197 1.00 8.56 C ATOM 828 H ILE A 99 5.991 0.111 11.167 1.00 0.00 H ATOM 829 N TYR A 100 8.598 -1.990 11.461 1.00 6.17 N ATOM 830 CA TYR A 100 9.375 -3.172 11.825 1.00 6.26 C ATOM 831 C TYR A 100 8.927 -4.386 11.025 1.00 6.01 C ATOM 832 O TYR A 100 9.758 -5.112 10.483 1.00 6.47 O ATOM 833 CB TYR A 100 9.322 -3.426 13.342 1.00 6.60 C ATOM 834 CG TYR A 100 10.505 -2.847 14.078 1.00 6.69 C ATOM 835 CD1 TYR A 100 10.694 -1.459 14.163 1.00 7.47 C ATOM 836 CD2 TYR A 100 11.444 -3.686 14.674 1.00 7.55 C ATOM 837 CE1 TYR A 100 11.800 -0.919 14.826 1.00 9.21 C ATOM 838 CE2 TYR A 100 12.561 -3.164 15.330 1.00 8.82 C ATOM 839 CZ TYR A 100 12.729 -1.782 15.404 1.00 8.83 C ATOM 840 OH TYR A 100 13.835 -1.307 16.077 1.00 11.16 O ATOM 841 HH TYR A 100 13.833 -0.317 16.055 1.00 0.00 H ATOM 842 H TYR A 100 8.083 -1.458 12.191 1.00 0.00 H ATOM 843 N THR A 101 7.625 -4.595 10.894 1.00 6.28 N ATOM 844 CA THR A 101 7.123 -5.730 10.132 1.00 7.17 C ATOM 845 C THR A 101 7.579 -5.669 8.675 1.00 6.99 C ATOM 846 O THR A 101 7.983 -6.686 8.099 1.00 8.37 O ATOM 847 CB THR A 101 5.601 -5.809 10.233 1.00 7.87 C ATOM 848 OG1 THR A 101 5.261 -6.037 11.604 1.00 8.38 O ATOM 849 CG2 THR A 101 5.032 -6.918 9.350 1.00 9.69 C ATOM 850 HG1 THR A 101 4.277 -6.092 11.694 1.00 0.00 H ATOM 851 H THR A 101 6.953 -3.940 11.341 1.00 0.00 H ATOM 852 N MET A 102 7.517 -4.478 8.079 1.00 6.87 N ATOM 853 CA MET A 102 7.978 -4.329 6.696 1.00 7.58 C ATOM 854 C MET A 102 9.482 -4.588 6.546 1.00 7.47 C ATOM 855 O MET A 102 9.929 -5.146 5.543 1.00 8.71 O ATOM 856 CB MET A 102 7.560 -2.968 6.143 1.00 8.13 C ATOM 857 CG MET A 102 6.037 -2.818 6.014 1.00 8.72 C ATOM 858 SD MET A 102 5.496 -1.279 5.249 1.00 9.79 S ATOM 859 CE MET A 102 5.968 -0.051 6.475 1.00 10.14 C ATOM 860 H MET A 102 7.142 -3.656 8.595 1.00 0.00 H ATOM 861 N ILE A 103 10.264 -4.204 7.546 1.00 7.44 N ATOM 862 CA ILE A 103 11.697 -4.490 7.551 1.00 7.56 C ATOM 863 C ILE A 103 11.957 -5.998 7.644 1.00 7.33 C ATOM 864 O ILE A 103 12.799 -6.537 6.916 1.00 7.68 O ATOM 865 CB ILE A 103 12.420 -3.724 8.692 1.00 7.46 C ATOM 866 CG1 ILE A 103 12.383 -2.216 8.435 1.00 8.56 C ATOM 867 CG2 ILE A 103 13.853 -4.227 8.870 1.00 8.99 C ATOM 868 CD1 ILE A 103 12.826 -1.391 9.631 1.00 9.00 C ATOM 869 H ILE A 103 9.847 -3.687 8.346 1.00 0.00 H ATOM 870 N TYR A 104 11.188 -6.686 8.495 1.00 7.63 N ATOM 871 CA TYR A 104 11.341 -8.138 8.675 1.00 8.35 C ATOM 872 C TYR A 104 11.176 -8.937 7.389 1.00 9.32 C ATOM 873 O TYR A 104 11.771 -9.997 7.278 1.00 10.53 O ATOM 874 CB TYR A 104 10.403 -8.696 9.759 1.00 8.45 C ATOM 875 CG TYR A 104 10.876 -8.435 11.170 1.00 7.66 C ATOM 876 CD1 TYR A 104 12.111 -8.907 11.618 1.00 9.09 C ATOM 877 CD2 TYR A 104 10.087 -7.719 12.065 1.00 7.12 C ATOM 878 CE1 TYR A 104 12.551 -8.656 12.911 1.00 9.35 C ATOM 879 CE2 TYR A 104 10.522 -7.460 13.363 1.00 7.45 C ATOM 880 CZ TYR A 104 11.760 -7.936 13.779 1.00 8.12 C ATOM 881 OH TYR A 104 12.254 -7.680 15.045 1.00 9.19 O ATOM 882 HH TYR A 104 11.634 -8.052 15.721 1.00 0.00 H ATOM 883 H TYR A 104 10.463 -6.181 9.044 1.00 0.00 H ATOM 884 N ARG A 105 10.376 -8.430 6.446 1.00 10.00 N ATOM 885 CA ARG A 105 10.201 -9.034 5.104 1.00 11.79 C ATOM 886 C ARG A 105 11.534 -9.247 4.407 1.00 10.46 C ATOM 887 O ARG A 105 11.656 -10.073 3.493 1.00 12.45 O ATOM 888 CB ARG A 105 9.399 -8.095 4.151 1.00 13.21 C ATOM 889 CG ARG A 105 7.964 -7.746 4.504 1.00 15.24 C ATOM 890 CD ARG A 105 7.484 -6.505 3.713 1.00 17.96 C ATOM 891 NE ARG A 105 7.336 -6.741 2.270 1.00 19.75 N ATOM 892 CZ ARG A 105 6.247 -7.249 1.697 1.00 22.60 C ATOM 893 NH1 ARG A 105 5.196 -7.587 2.434 1.00 23.27 N ATOM 894 NH2 ARG A 105 6.212 -7.420 0.381 1.00 25.32 N ATOM 895 HE ARG A 105 8.137 -6.494 1.654 1.00 0.00 H ATOM 896 HH12 ARG A 105 4.348 -7.983 1.980 1.00 0.00 H ATOM 897 HH11 ARG A 105 5.220 -7.455 3.465 1.00 0.00 H ATOM 898 HH22 ARG A 105 5.363 -7.817 -0.069 1.00 0.00 H ATOM 899 HH21 ARG A 105 7.034 -7.157 -0.200 1.00 0.00 H ATOM 900 H ARG A 105 9.846 -7.563 6.666 1.00 0.00 H ATOM 901 N ASN A 106 12.520 -8.447 4.800 1.00 9.58 N ATOM 902 CA ASN A 106 13.727 -8.237 4.029 1.00 9.59 C ATOM 903 C ASN A 106 15.003 -8.689 4.726 1.00 9.24 C ATOM 904 O ASN A 106 16.077 -8.228 4.387 1.00 9.62 O ATOM 905 CB ASN A 106 13.805 -6.746 3.671 1.00 9.95 C ATOM 906 CG ASN A 106 12.721 -6.354 2.716 1.00 10.79 C ATOM 907 OD1 ASN A 106 12.788 -6.688 1.545 1.00 12.73 O ATOM 908 ND2 ASN A 106 11.699 -5.666 3.208 1.00 11.32 N ATOM 909 HD22 ASN A 106 11.685 -5.403 4.214 1.00 0.00 H ATOM 910 HD21 ASN A 106 10.911 -5.389 2.588 1.00 0.00 H ATOM 911 H ASN A 106 12.419 -7.947 5.706 1.00 0.00 H ATOM 912 N LEU A 107 14.871 -9.603 5.683 1.00 9.10 N ATOM 913 CA LEU A 107 16.038 -10.070 6.418 1.00 9.69 C ATOM 914 C LEU A 107 15.822 -11.475 6.951 1.00 9.49 C ATOM 915 O LEU A 107 14.703 -11.991 6.935 1.00 9.84 O ATOM 916 CB LEU A 107 16.373 -9.103 7.564 1.00 10.17 C ATOM 917 CG LEU A 107 15.290 -8.991 8.644 1.00 11.08 C ATOM 918 CD1 LEU A 107 15.303 -10.118 9.667 1.00 11.94 C ATOM 919 CD2 LEU A 107 15.377 -7.651 9.358 1.00 12.10 C ATOM 920 H LEU A 107 13.930 -9.986 5.907 1.00 0.00 H ATOM 921 N VAL A 108 16.904 -12.065 7.449 1.00 9.63 N ATOM 922 CA VAL A 108 16.865 -13.317 8.211 1.00 10.79 C ATOM 923 C VAL A 108 17.501 -13.013 9.565 1.00 10.44 C ATOM 924 O VAL A 108 18.547 -12.364 9.645 1.00 11.67 O ATOM 925 CB VAL A 108 17.603 -14.474 7.473 1.00 11.78 C ATOM 926 CG1 VAL A 108 17.603 -15.775 8.282 1.00 14.15 C ATOM 927 CG2 VAL A 108 16.979 -14.720 6.120 1.00 14.46 C ATOM 928 H VAL A 108 17.828 -11.614 7.290 1.00 0.00 H ATOM 929 N VAL A 109 16.869 -13.461 10.642 1.00 10.41 N ATOM 930 CA VAL A 109 17.406 -13.244 11.985 1.00 12.17 C ATOM 931 C VAL A 109 18.584 -14.184 12.231 1.00 12.73 C ATOM 932 O VAL A 109 18.542 -15.356 11.844 1.00 13.93 O ATOM 933 CB VAL A 109 16.309 -13.466 13.052 1.00 12.86 C ATOM 934 CG1 VAL A 109 16.865 -13.279 14.467 1.00 13.90 C ATOM 935 CG2 VAL A 109 15.150 -12.524 12.805 1.00 14.47 C ATOM 936 H VAL A 109 15.973 -13.977 10.529 1.00 0.00 H ATOM 937 N VAL A 110 19.642 -13.678 12.847 1.00 13.42 N ATOM 938 CA VAL A 110 20.748 -14.547 13.271 1.00 14.96 C ATOM 939 C VAL A 110 20.282 -15.546 14.347 1.00 16.04 C ATOM 940 O VAL A 110 20.574 -16.752 14.280 1.00 17.74 O ATOM 941 CB VAL A 110 21.945 -13.711 13.787 1.00 14.93 C ATOM 942 CG1 VAL A 110 23.078 -14.612 14.258 1.00 15.66 C ATOM 943 CG2 VAL A 110 22.450 -12.790 12.713 1.00 14.79 C ATOM 944 H VAL A 110 19.690 -12.656 13.032 1.00 0.00 H TER 945 VAL A 110 HETATM 946 O HOH 1 26.764 0.880 14.377 1.00 25.68 O HETATM 947 O HOH 2 28.604 3.145 8.372 1.00 26.65 O HETATM 948 O HOH 3 16.134 15.339 3.101 1.00 20.06 O HETATM 949 O HOH 4 2.830 -6.677 12.182 1.00 20.29 O HETATM 950 O HOH 5 4.276 3.559 -8.874 1.00 14.49 O HETATM 951 O HOH 6 28.407 -0.785 8.922 1.00 35.88 O HETATM 952 O HOH 7 21.788 -6.989 23.678 1.00 27.89 O HETATM 953 O HOH 8 2.992 7.783 -3.969 1.00 19.01 O HETATM 954 O HOH 9 9.701 3.431 19.040 1.00 17.11 O HETATM 955 O HOH 10 17.911 -1.220 22.879 1.00 14.57 O HETATM 956 O HOH 11 18.913 -2.529 26.726 1.00 13.86 O HETATM 957 O HOH 12 13.630 1.125 17.203 1.00 16.28 O HETATM 958 O HOH 13 20.859 11.032 4.993 1.00 16.97 O HETATM 959 O HOH 14 13.557 7.698 -5.461 1.00 20.02 O HETATM 960 O HOH 15 1.281 17.394 1.313 1.00 26.92 O HETATM 961 O HOH 16 0.253 7.167 11.842 1.00 15.56 O HETATM 962 O HOH 17 23.505 -1.541 17.556 1.00 13.16 O HETATM 963 O HOH 18 4.563 -3.340 18.883 1.00 9.32 O HETATM 964 O HOH 19 22.913 -6.989 19.912 1.00 19.93 O HETATM 965 O HOH 20 1.333 1.941 4.630 1.00 23.85 O HETATM 966 O HOH 21 14.523 10.180 -4.769 1.00 28.05 O HETATM 967 O HOH 22 16.934 5.844 14.641 1.00 14.81 O HETATM 968 O HOH 23 8.483 -6.906 -1.049 1.00 31.01 O HETATM 969 O HOH 24 20.651 -5.340 26.621 1.00 18.18 O HETATM 970 O HOH 25 0.447 -2.105 -0.973 1.00 36.31 O HETATM 971 O HOH 26 4.325 6.347 17.122 1.00 15.74 O HETATM 972 O HOH 27 23.366 -9.792 5.031 1.00 15.76 O HETATM 973 O HOH 28 4.786 3.488 23.338 1.00 21.06 O HETATM 974 O HOH 29 24.968 0.010 -2.306 1.00 36.10 O HETATM 975 O HOH 30 2.060 -2.379 19.497 1.00 11.94 O HETATM 976 O HOH 31 17.844 3.359 15.476 1.00 9.77 O HETATM 977 O HOH 32 17.788 -9.481 21.826 1.00 17.79 O HETATM 978 O HOH 33 6.012 8.461 17.550 1.00 13.59 O HETATM 979 O HOH 34 12.185 -2.595 26.371 1.00 22.16 O HETATM 980 O HOH 35 5.139 11.236 17.315 1.00 23.88 O HETATM 981 O HOH 36 16.793 -17.291 12.819 1.00 27.74 O HETATM 982 O HOH 37 6.859 -5.322 -4.017 1.00 12.31 O HETATM 983 O HOH 38 2.286 0.391 13.549 1.00 10.72 O HETATM 984 O HOH 39 9.036 13.737 -1.285 1.00 25.26 O HETATM 985 O HOH 40 4.067 16.914 9.782 1.00 21.05 O HETATM 986 O HOH 41 -1.612 11.356 -0.506 1.00 31.55 O HETATM 987 O HOH 42 9.485 -9.268 17.067 1.00 9.62 O HETATM 988 O HOH 43 15.212 3.110 -5.913 1.00 19.73 O HETATM 989 O HOH 44 10.777 -7.948 -0.001 1.00 28.50 O HETATM 990 O HOH 45 9.992 14.152 10.026 1.00 11.73 O HETATM 991 O HOH 46 23.683 -6.882 -1.742 1.00 25.54 O HETATM 992 O HOH 47 7.152 12.419 12.667 1.00 14.51 O HETATM 993 O HOH 48 13.406 19.293 4.272 1.00 26.52 O HETATM 994 O HOH 49 16.891 -9.179 -1.456 1.00 18.02 O HETATM 995 O HOH 50 16.589 2.127 23.054 1.00 22.65 O HETATM 996 O HOH 51 17.915 16.633 -4.594 1.00 26.65 O HETATM 997 O HOH 52 6.361 3.221 19.282 1.00 15.70 O HETATM 998 O HOH 53 10.791 12.418 12.091 1.00 14.25 O HETATM 999 O HOH 54 20.820 -14.943 9.400 1.00 37.58 O HETATM 1000 O HOH 55 27.071 -6.410 13.637 1.00 29.98 O HETATM 1001 O HOH 56 5.652 0.938 -3.784 1.00 23.66 O HETATM 1002 O HOH 57 6.391 1.446 -6.990 1.00 23.34 O HETATM 1003 O HOH 58 18.170 2.352 -4.107 1.00 23.46 O HETATM 1004 O HOH 59 22.211 -17.659 11.974 1.00 27.23 O HETATM 1005 O HOH 60 5.726 18.509 8.575 1.00 20.41 O HETATM 1006 O HOH 61 26.368 -2.527 16.711 1.00 26.00 O HETATM 1007 O HOH 62 28.851 -8.637 9.224 1.00 20.31 O HETATM 1008 O HOH 63 3.230 1.012 16.193 1.00 12.86 O HETATM 1009 O HOH 64 7.774 16.502 -1.029 1.00 23.13 O HETATM 1010 O HOH 65 13.302 10.742 12.820 1.00 10.96 O HETATM 1011 O HOH 66 15.685 -7.368 0.783 1.00 18.83 O HETATM 1012 O HOH 67 19.254 14.988 -0.333 1.00 36.25 O HETATM 1013 O HOH 68 1.035 3.704 7.473 1.00 15.82 O HETATM 1014 O HOH 69 26.048 -4.727 15.512 1.00 36.13 O HETATM 1015 O HOH 70 4.594 -7.680 5.579 1.00 28.52 O HETATM 1016 O HOH 71 0.682 19.809 2.831 1.00 31.42 O HETATM 1017 O HOH 72 0.672 7.096 -2.010 1.00 18.70 O HETATM 1018 O HOH 73 3.923 3.146 17.529 1.00 23.72 O HETATM 1019 O HOH 74 2.534 -4.543 5.645 1.00 38.00 O HETATM 1020 O HOH 75 10.560 14.240 -3.891 1.00 39.75 O HETATM 1021 O HOH 76 0.632 2.818 21.514 1.00 29.83 O HETATM 1022 O HOH 77 12.292 2.741 18.843 1.00 20.21 O HETATM 1023 O HOH 78 7.850 14.947 11.597 1.00 17.98 O HETATM 1024 O HOH 79 22.515 -8.875 21.721 1.00 33.53 O HETATM 1025 O HOH 80 25.614 -5.191 -1.131 1.00 36.36 O HETATM 1026 O HOH 81 13.325 9.373 15.316 1.00 13.25 O HETATM 1027 O HOH 82 14.796 7.157 16.049 1.00 14.07 O HETATM 1028 O HOH 83 6.037 14.302 -1.407 1.00 31.12 O HETATM 1029 O HOH 84 1.634 -0.959 17.314 1.00 19.84 O HETATM 1030 O HOH 85 9.013 -2.868 26.155 1.00 31.80 O HETATM 1031 O HOH 86 3.824 1.930 -5.626 1.00 28.91 O HETATM 1032 O HOH 87 15.698 -16.676 15.161 1.00 18.83 O HETATM 1033 C2 HU A 8 10.862 4.156 15.131 1.00 0.15 C HETATM 1034 C3 HU A 8 10.407 4.005 13.821 1.00 0.07 C HETATM 1035 C4 HU A 8 10.296 5.112 12.982 1.00 -0.04 C HETATM 1036 C6 HU A 8 10.656 6.375 13.450 1.00 0.01 C HETATM 1037 C11 HU A 8 10.585 7.601 12.568 1.00 0.11 C HETATM 1038 C15 HU A 8 9.989 8.796 12.845 1.00 0.08 C HETATM 1039 C16 HU A 8 9.115 9.266 13.925 1.00 0.17 C HETATM 1040 N17 HU A 8 8.523 8.460 14.761 1.00 -0.22 N HETATM 1041 N19 HU A 8 7.761 9.234 15.539 1.00 -0.15 N HETATM 1042 N20 HU A 8 7.875 10.493 15.125 1.00 -0.07 N HETATM 1043 N21 HU A 8 8.754 10.500 14.028 1.00 -0.16 N HETATM 1044 H19 HU A 8 9.041 11.300 13.446 1.00 0.27 H HETATM 1045 N14 HU A 8 10.301 9.604 11.713 1.00 -0.31 N HETATM 1046 C13 HU A 8 10.995 8.913 10.903 1.00 0.14 C HETATM 1047 C22 HU A 8 11.508 9.410 9.560 1.00 0.04 C HETATM 1048 C24 HU A 8 10.880 10.780 9.177 1.00 -0.03 C HETATM 1049 C27 HU A 8 11.325 11.167 7.743 1.00 -0.05 C HETATM 1050 C30 HU A 8 12.867 11.233 7.653 1.00 -0.05 C HETATM 1051 C33 HU A 8 13.499 9.884 8.066 1.00 -0.05 C HETATM 1052 C36 HU A 8 13.060 9.485 9.497 1.00 -0.03 C HETATM 1053 H22 HU A 8 13.485 8.503 9.751 1.00 0.03 H HETATM 1054 H23 HU A 8 13.420 10.237 10.214 1.00 0.03 H HETATM 1055 H20 HU A 8 14.595 9.976 8.037 1.00 0.03 H HETATM 1056 H21 HU A 8 13.178 9.104 7.360 1.00 0.03 H HETATM 1057 H14 HU A 8 13.234 12.024 8.324 1.00 0.03 H HETATM 1058 H15 HU A 8 13.158 11.466 6.618 1.00 0.03 H HETATM 1059 H12 HU A 8 10.905 12.151 7.487 1.00 0.03 H HETATM 1060 H13 HU A 8 10.953 10.414 7.033 1.00 0.03 H HETATM 1061 H10 HU A 8 11.218 11.550 9.886 1.00 0.03 H HETATM 1062 H11 HU A 8 9.783 10.704 9.213 1.00 0.03 H HETATM 1063 H9 HU A 8 11.188 8.678 8.804 1.00 0.05 H HETATM 1064 N12 HU A 8 11.214 7.683 11.386 1.00 -0.19 N HETATM 1065 C39 HU A 8 11.949 6.664 10.770 1.00 0.11 C HETATM 1066 C46 HU A 8 11.342 5.892 9.751 1.00 -0.02 C HETATM 1067 C45 HU A 8 12.072 4.873 9.133 1.00 0.03 C HETATM 1068 C43 HU A 8 13.391 4.614 9.508 1.00 -0.06 C HETATM 1069 C41 HU A 8 13.992 5.373 10.513 1.00 -0.06 C HETATM 1070 C40 HU A 8 13.268 6.393 11.159 1.00 0.01 C HETATM 1071 C49 HU A 8 13.908 7.200 12.279 1.00 0.07 C HETATM 1072 C52 HU A 8 15.342 7.551 12.097 1.00 0.19 C HETATM 1073 O53 HU A 8 16.217 6.691 12.147 1.00 -0.39 O HETATM 1074 N54 HU A 8 15.528 8.858 11.887 1.00 -0.28 N HETATM 1075 C56 HU A 8 16.834 9.513 11.781 1.00 0.04 C HETATM 1076 C57 HU A 8 16.565 10.987 11.392 1.00 -0.04 C HETATM 1077 H6 HU A 8 17.521 11.522 11.300 1.00 0.03 H HETATM 1078 H7 HU A 8 15.950 11.465 12.169 1.00 0.03 H HETATM 1079 H8 HU A 8 16.032 11.021 10.430 1.00 0.03 H HETATM 1080 C61 HU A 8 17.493 9.495 13.193 1.00 -0.04 C HETATM 1081 H25 HU A 8 17.694 8.455 13.491 1.00 0.03 H HETATM 1082 H26 HU A 8 16.812 9.960 13.921 1.00 0.03 H HETATM 1083 H27 HU A 8 18.438 10.057 13.164 1.00 0.03 H HETATM 1084 C65 HU A 8 17.758 8.871 10.713 1.00 -0.04 C HETATM 1085 H28 HU A 8 17.955 7.822 10.981 1.00 0.03 H HETATM 1086 H29 HU A 8 18.708 9.423 10.671 1.00 0.03 H HETATM 1087 H30 HU A 8 17.266 8.912 9.730 1.00 0.03 H HETATM 1088 H24 HU A 8 14.714 9.432 11.795 1.00 0.19 H HETATM 1089 H4 HU A 8 13.343 8.138 12.382 1.00 0.06 H HETATM 1090 H5 HU A 8 13.820 6.615 13.207 1.00 0.06 H HETATM 1091 H1 HU A 8 15.020 5.177 10.797 1.00 0.05 H HETATM 1092 H2 HU A 8 13.948 3.824 9.019 1.00 0.05 H HETATM 1093 CL1 HU A 8 11.317 3.875 7.931 1.00 -0.08 CL HETATM 1094 H3 HU A 8 10.319 6.090 9.452 1.00 0.06 H HETATM 1095 C7 HU A 8 11.154 6.508 14.753 1.00 -0.05 C HETATM 1096 C9 HU A 8 11.250 5.403 15.604 1.00 -0.03 C HETATM 1097 H18 HU A 8 11.621 5.518 16.616 1.00 0.06 H HETATM 1098 H17 HU A 8 11.470 7.483 15.107 1.00 0.06 H HETATM 1099 H16 HU A 8 9.931 4.992 11.969 1.00 0.06 H HETATM 1100 CL2 HU A 8 9.946 2.433 13.275 1.00 -0.07 CL HETATM 1101 F1 HU A 8 10.951 3.072 15.913 1.00 -0.18 F CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1033 1034 1096 1101 CONECT 1034 1033 1035 1100 CONECT 1035 1034 1036 1099 CONECT 1036 1035 1037 1095 CONECT 1037 1036 1038 1064 CONECT 1038 1037 1039 1045 CONECT 1039 1038 1040 1043 CONECT 1040 1039 1041 CONECT 1041 1040 1042 CONECT 1042 1041 1043 CONECT 1043 1039 1042 1044 CONECT 1044 1043 CONECT 1045 1038 1046 CONECT 1046 1045 1047 1064 CONECT 1047 1046 1048 1052 1063 CONECT 1048 1047 1049 1061 1062 CONECT 1049 1048 1050 1059 1060 CONECT 1050 1049 1051 1057 1058 CONECT 1051 1050 1052 1055 1056 CONECT 1052 1047 1051 1053 1054 CONECT 1053 1052 CONECT 1054 1052 CONECT 1055 1051 CONECT 1056 1051 CONECT 1057 1050 CONECT 1058 1050 CONECT 1059 1049 CONECT 1060 1049 CONECT 1061 1048 CONECT 1062 1048 CONECT 1063 1047 CONECT 1064 1037 1046 1065 CONECT 1065 1064 1066 1070 CONECT 1066 1065 1067 1094 CONECT 1067 1066 1068 1093 CONECT 1068 1067 1069 1092 CONECT 1069 1068 1070 1091 CONECT 1070 1065 1069 1071 CONECT 1071 1070 1072 1089 1090 CONECT 1072 1071 1073 1074 CONECT 1073 1072 CONECT 1074 1072 1075 1088 CONECT 1075 1074 1076 1080 1084 CONECT 1076 1075 1077 1078 1079 CONECT 1077 1076 CONECT 1078 1076 CONECT 1079 1076 CONECT 1080 1075 1081 1082 1083 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1080 CONECT 1084 1075 1085 1086 1087 CONECT 1085 1084 CONECT 1086 1084 CONECT 1087 1084 CONECT 1088 1074 CONECT 1089 1071 CONECT 1090 1071 CONECT 1091 1069 CONECT 1092 1068 CONECT 1093 1067 CONECT 1094 1066 CONECT 1095 1036 1096 1098 CONECT 1096 1033 1095 1097 CONECT 1097 1096 CONECT 1098 1095 CONECT 1099 1035 CONECT 1100 1034 CONECT 1101 1033 MASTER 0 0 0 0 0 0 0 0 1100 1 73 8 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6q9o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
HU8
EC.Number
E.C.2.3.2.27
Resolution
1.21(Å)
Affinity (Kd/Ki/IC50)
IC50=3.4nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemmedchem Vol. 14: pp. 1305-1314
Ligand Properties
Formula
C
2
8
H
3
0
Cl
2
FN
7
O
Molecular Weight
570.489
Exact Mass
569.187
No. of atoms
69
No. of bonds
73
Polar Surface Area
101.38
LOGP Value
6.41 (
Computed with XLOGP3
)
7.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
O=C(NC(C)(C)C)Cc1ccc(cc1n1c(nc(c1c1ccc(c(c1)Cl)F)c1nnn[nH]1)C1CCCCC1)Cl
InChI String
InChI=1S/C28H30Cl2FN7O/c1-28(2,3)33-23(39)14-17-9-11-19(29)15-22(17)38-25(18-10-12-21(31)20(30)13-18)24(26-34-36-37-35-26)32-27(38)16-7-5-4-6-8-16/h9-13,15-16H,4-8,14H2,1-3H3,(H,33,39)(H,34,35,36,37)
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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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