Browse entries in the PDBbind-CN Database
HEADER 4OGT_COMPLEX COMPND 4OGT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 GLY ALA VAL THR THR SER GLN ILE PRO ALA SER GLU GLN SEQRES 2 A 99 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU SEQRES 3 A 99 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET SEQRES 4 A 99 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR SEQRES 5 A 99 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR SEQRES 6 A 99 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SEQRES 7 A 99 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET SEQRES 8 A 99 ILE TYR ARG ASN LEU VAL VAL VAL HET UNN A 198 79 ATOM 1 N GLY A 12 -5.893 12.718 4.209 1.00 32.22 N ATOM 2 CA GLY A 12 -6.574 12.564 2.934 1.00 27.01 C ATOM 3 C GLY A 12 -7.939 13.225 2.938 1.00 24.86 C ATOM 4 O GLY A 12 -8.944 12.609 2.592 1.00 25.23 O ATOM 5 HN3 GLY A 12 -6.464 12.282 4.961 1.00 0.00 H ATOM 6 HN2 GLY A 12 -5.765 13.730 4.412 1.00 0.00 H ATOM 7 HN1 GLY A 12 -4.964 12.252 4.163 1.00 0.00 H ATOM 8 N ALA A 13 -7.973 14.490 3.341 1.00 25.39 N ATOM 9 CA ALA A 13 -9.217 15.242 3.404 1.00 25.63 C ATOM 10 C ALA A 13 -8.898 16.721 3.328 1.00 27.46 C ATOM 11 O ALA A 13 -7.870 17.163 3.842 1.00 31.60 O ATOM 12 CB ALA A 13 -9.956 14.933 4.704 1.00 27.52 C ATOM 13 H ALA A 13 -7.086 14.956 3.619 1.00 0.00 H ATOM 14 N VAL A 14 -9.763 17.494 2.683 1.00 26.57 N ATOM 15 CA VAL A 14 -9.609 18.944 2.680 1.00 27.81 C ATOM 16 C VAL A 14 -10.932 19.631 3.005 1.00 27.99 C ATOM 17 O VAL A 14 -11.988 19.249 2.493 1.00 27.71 O ATOM 18 CB VAL A 14 -9.032 19.480 1.347 1.00 27.97 C ATOM 19 CG1 VAL A 14 -7.624 18.945 1.116 1.00 29.11 C ATOM 20 CG2 VAL A 14 -9.932 19.128 0.181 1.00 27.16 C ATOM 21 H VAL A 14 -10.560 17.061 2.174 1.00 0.00 H ATOM 22 N THR A 15 -10.866 20.639 3.868 1.00 27.69 N ATOM 23 CA THR A 15 -12.059 21.320 4.345 1.00 27.64 C ATOM 24 C THR A 15 -12.035 22.816 4.068 1.00 25.19 C ATOM 25 O THR A 15 -11.002 23.382 3.705 1.00 27.59 O ATOM 26 CB THR A 15 -12.234 21.110 5.850 1.00 31.40 C ATOM 27 OG1 THR A 15 -11.039 21.525 6.521 1.00 33.63 O ATOM 28 CG2 THR A 15 -12.494 19.642 6.148 1.00 31.84 C ATOM 29 HG1 THR A 15 -11.146 21.391 7.496 1.00 0.00 H ATOM 30 H THR A 15 -9.935 20.950 4.212 1.00 0.00 H ATOM 31 N THR A 16 -13.191 23.448 4.243 1.00 23.23 N ATOM 32 CA THR A 16 -13.343 24.871 3.984 1.00 22.80 C ATOM 33 C THR A 16 -14.304 25.525 4.980 1.00 24.23 C ATOM 34 O THR A 16 -15.246 24.891 5.451 1.00 24.24 O ATOM 35 CB THR A 16 -13.877 25.109 2.566 1.00 21.48 C ATOM 36 OG1 THR A 16 -14.237 26.487 2.414 1.00 23.75 O ATOM 37 CG2 THR A 16 -15.098 24.235 2.303 1.00 21.22 C ATOM 38 HG1 THR A 16 -14.581 26.638 1.498 1.00 0.00 H ATOM 39 H THR A 16 -14.014 22.907 4.576 1.00 0.00 H ATOM 40 N SER A 17 -14.074 26.801 5.278 1.00 24.46 N ATOM 41 CA SER A 17 -14.978 27.552 6.138 1.00 24.51 C ATOM 42 C SER A 17 -16.245 28.020 5.417 1.00 22.95 C ATOM 43 O SER A 17 -17.173 28.532 6.046 1.00 25.83 O ATOM 44 CB SER A 17 -14.250 28.747 6.772 1.00 28.18 C ATOM 45 OG SER A 17 -13.599 29.524 5.779 1.00 31.72 O ATOM 46 HG SER A 17 -14.270 29.863 5.135 1.00 0.00 H ATOM 47 H SER A 17 -13.232 27.271 4.889 1.00 0.00 H ATOM 48 N GLN A 18 -16.291 27.836 4.098 1.00 22.10 N ATOM 49 CA GLN A 18 -17.433 28.296 3.307 1.00 20.89 C ATOM 50 C GLN A 18 -18.645 27.369 3.413 1.00 22.45 C ATOM 51 O GLN A 18 -19.763 27.749 3.057 1.00 25.78 O ATOM 52 CB GLN A 18 -17.039 28.433 1.834 1.00 19.24 C ATOM 53 CG GLN A 18 -16.021 29.520 1.549 1.00 20.94 C ATOM 54 CD GLN A 18 -15.818 29.713 0.056 1.00 23.28 C ATOM 55 OE1 GLN A 18 -16.738 29.495 -0.732 1.00 24.43 O ATOM 56 NE2 GLN A 18 -14.613 30.117 -0.339 1.00 23.92 N ATOM 57 HE22 GLN A 18 -13.866 30.289 0.364 1.00 0.00 H ATOM 58 HE21 GLN A 18 -14.418 30.261 -1.350 1.00 0.00 H ATOM 59 H GLN A 18 -15.500 27.356 3.622 1.00 0.00 H ATOM 60 N ILE A 19 -18.408 26.153 3.887 1.00 20.98 N ATOM 61 CA ILE A 19 -19.425 25.111 3.961 1.00 21.40 C ATOM 62 C ILE A 19 -19.469 24.677 5.418 1.00 21.48 C ATOM 63 O ILE A 19 -18.429 24.649 6.070 1.00 22.76 O ATOM 64 CB ILE A 19 -19.013 23.898 3.093 1.00 21.20 C ATOM 65 CG1 ILE A 19 -18.735 24.323 1.647 1.00 24.10 C ATOM 66 CG2 ILE A 19 -20.067 22.797 3.127 1.00 20.90 C ATOM 67 CD1 ILE A 19 -19.971 24.677 0.862 1.00 25.00 C ATOM 68 H ILE A 19 -17.449 25.932 4.223 1.00 0.00 H ATOM 69 N PRO A 20 -20.667 24.367 5.946 1.00 22.94 N ATOM 70 CA PRO A 20 -20.718 23.903 7.342 1.00 21.02 C ATOM 71 C PRO A 20 -19.868 22.652 7.543 1.00 21.25 C ATOM 72 O PRO A 20 -19.835 21.783 6.671 1.00 20.37 O ATOM 73 CB PRO A 20 -22.198 23.560 7.537 1.00 23.86 C ATOM 74 CG PRO A 20 -22.911 24.471 6.613 1.00 25.72 C ATOM 75 CD PRO A 20 -22.015 24.601 5.398 1.00 23.51 C ATOM 76 N ALA A 21 -19.186 22.564 8.681 1.00 20.97 N ATOM 77 CA ALA A 21 -18.294 21.439 8.938 1.00 21.09 C ATOM 78 C ALA A 21 -19.009 20.094 8.816 1.00 22.21 C ATOM 79 O ALA A 21 -18.471 19.146 8.243 1.00 21.89 O ATOM 80 CB ALA A 21 -17.662 21.576 10.311 1.00 22.39 C ATOM 81 H ALA A 21 -19.290 23.309 9.399 1.00 0.00 H ATOM 82 N SER A 22 -20.220 20.018 9.358 1.00 21.75 N ATOM 83 CA SER A 22 -20.975 18.766 9.358 1.00 21.40 C ATOM 84 C SER A 22 -21.333 18.299 7.948 1.00 21.61 C ATOM 85 O SER A 22 -21.398 17.097 7.675 1.00 21.66 O ATOM 86 CB SER A 22 -22.242 18.907 10.206 1.00 23.97 C ATOM 87 OG SER A 22 -22.999 17.712 10.183 1.00 25.80 O ATOM 88 HG SER A 22 -23.812 17.827 10.737 1.00 0.00 H ATOM 89 H SER A 22 -20.639 20.866 9.791 1.00 0.00 H ATOM 90 N GLU A 23 -21.563 19.253 7.053 1.00 20.17 N ATOM 91 CA GLU A 23 -21.886 18.915 5.675 1.00 19.23 C ATOM 92 C GLU A 23 -20.703 18.214 5.010 1.00 20.05 C ATOM 93 O GLU A 23 -20.880 17.341 4.152 1.00 20.80 O ATOM 94 CB GLU A 23 -22.307 20.159 4.888 1.00 18.04 C ATOM 95 CG GLU A 23 -22.709 19.824 3.448 1.00 17.93 C ATOM 96 CD GLU A 23 -23.303 20.985 2.681 1.00 21.03 C ATOM 97 OE1 GLU A 23 -23.443 22.088 3.238 1.00 21.62 O ATOM 98 OE2 GLU A 23 -23.626 20.788 1.489 1.00 21.98 O ATOM 99 H GLU A 23 -21.512 20.251 7.340 1.00 0.00 H ATOM 100 N GLN A 24 -19.496 18.581 5.418 1.00 20.05 N ATOM 101 CA GLN A 24 -18.294 18.005 4.824 1.00 20.95 C ATOM 102 C GLN A 24 -18.024 16.587 5.339 1.00 21.56 C ATOM 103 O GLN A 24 -17.122 15.898 4.855 1.00 20.51 O ATOM 104 CB GLN A 24 -17.106 18.944 5.043 1.00 19.34 C ATOM 105 CG GLN A 24 -17.433 20.363 4.590 1.00 20.55 C ATOM 106 CD GLN A 24 -16.344 21.357 4.882 1.00 22.11 C ATOM 107 OE1 GLN A 24 -15.223 21.232 4.390 1.00 24.29 O ATOM 108 NE2 GLN A 24 -16.665 22.360 5.694 1.00 21.00 N ATOM 109 HE22 GLN A 24 -17.626 22.424 6.086 1.00 0.00 H ATOM 110 HE21 GLN A 24 -15.955 23.080 5.937 1.00 0.00 H ATOM 111 H GLN A 24 -19.405 19.290 6.173 1.00 0.00 H ATOM 112 N GLU A 25 -18.821 16.153 6.316 1.00 21.57 N ATOM 113 CA GLU A 25 -18.764 14.778 6.802 1.00 21.81 C ATOM 114 C GLU A 25 -19.843 13.898 6.168 1.00 21.84 C ATOM 115 O GLU A 25 -19.952 12.716 6.498 1.00 22.80 O ATOM 116 CB GLU A 25 -18.920 14.735 8.327 1.00 22.18 C ATOM 117 CG GLU A 25 -17.889 15.553 9.101 1.00 24.23 C ATOM 118 CD GLU A 25 -16.480 15.019 8.955 1.00 30.80 C ATOM 119 OE1 GLU A 25 -16.316 13.797 8.747 1.00 34.94 O ATOM 120 OE2 GLU A 25 -15.531 15.827 9.039 1.00 34.54 O ATOM 121 H GLU A 25 -19.502 16.813 6.743 1.00 0.00 H ATOM 122 N THR A 26 -20.640 14.473 5.268 1.00 21.67 N ATOM 123 CA THR A 26 -21.710 13.728 4.602 1.00 22.27 C ATOM 124 C THR A 26 -21.159 12.485 3.894 1.00 21.19 C ATOM 125 O THR A 26 -20.183 12.581 3.146 1.00 21.11 O ATOM 126 CB THR A 26 -22.460 14.617 3.574 1.00 21.69 C ATOM 127 OG1 THR A 26 -23.027 15.756 4.242 1.00 22.35 O ATOM 128 CG2 THR A 26 -23.575 13.832 2.873 1.00 21.88 C ATOM 129 HG1 THR A 26 -23.663 15.448 4.936 1.00 0.00 H ATOM 130 H THR A 26 -20.498 15.476 5.033 1.00 0.00 H ATOM 131 N LEU A 27 -21.774 11.327 4.151 1.00 20.36 N ATOM 132 CA LEU A 27 -21.380 10.064 3.515 1.00 20.63 C ATOM 133 C LEU A 27 -22.009 9.928 2.140 1.00 21.12 C ATOM 134 O LEU A 27 -23.215 10.117 1.982 1.00 22.74 O ATOM 135 CB LEU A 27 -21.785 8.869 4.380 1.00 23.54 C ATOM 136 CG LEU A 27 -21.015 8.722 5.688 1.00 27.32 C ATOM 137 CD1 LEU A 27 -21.566 7.562 6.502 1.00 28.54 C ATOM 138 CD2 LEU A 27 -19.542 8.517 5.382 1.00 29.00 C ATOM 139 H LEU A 27 -22.563 11.320 4.828 1.00 0.00 H ATOM 140 N VAL A 28 -21.190 9.586 1.149 1.00 18.17 N ATOM 141 CA VAL A 28 -21.649 9.558 -0.234 1.00 17.58 C ATOM 142 C VAL A 28 -21.078 8.359 -0.985 1.00 19.28 C ATOM 143 O VAL A 28 -19.999 7.860 -0.659 1.00 19.52 O ATOM 144 CB VAL A 28 -21.268 10.856 -0.995 1.00 21.28 C ATOM 145 CG1 VAL A 28 -21.911 12.085 -0.345 1.00 21.62 C ATOM 146 CG2 VAL A 28 -19.757 11.012 -1.074 1.00 21.77 C ATOM 147 H VAL A 28 -20.204 9.334 1.365 1.00 0.00 H ATOM 148 N ARG A 29 -21.816 7.902 -1.993 1.00 20.27 N ATOM 149 CA ARG A 29 -21.368 6.824 -2.863 1.00 22.39 C ATOM 150 C ARG A 29 -21.278 7.366 -4.276 1.00 21.45 C ATOM 151 O ARG A 29 -22.300 7.525 -4.950 1.00 23.12 O ATOM 152 CB ARG A 29 -22.331 5.637 -2.801 1.00 25.56 C ATOM 153 CG ARG A 29 -22.413 5.006 -1.419 1.00 30.70 C ATOM 154 CD ARG A 29 -22.935 3.581 -1.445 1.00 37.79 C ATOM 155 NE ARG A 29 -22.887 2.988 -0.108 1.00 43.56 N ATOM 156 CZ ARG A 29 -23.903 2.988 0.751 1.00 46.80 C ATOM 157 NH1 ARG A 29 -25.061 3.541 0.415 1.00 47.87 N ATOM 158 NH2 ARG A 29 -23.763 2.429 1.947 1.00 48.56 N ATOM 159 HE ARG A 29 -21.999 2.536 0.191 1.00 0.00 H ATOM 160 HH12 ARG A 29 -25.853 3.539 1.089 1.00 0.00 H ATOM 161 HH11 ARG A 29 -25.177 3.976 -0.522 1.00 0.00 H ATOM 162 HH22 ARG A 29 -24.558 2.430 2.618 1.00 0.00 H ATOM 163 HH21 ARG A 29 -22.858 1.990 2.213 1.00 0.00 H ATOM 164 H ARG A 29 -22.748 8.331 -2.166 1.00 0.00 H ATOM 165 N PRO A 30 -20.053 7.684 -4.718 1.00 21.71 N ATOM 166 CA PRO A 30 -19.846 8.229 -6.062 1.00 19.99 C ATOM 167 C PRO A 30 -20.401 7.327 -7.149 1.00 21.66 C ATOM 168 O PRO A 30 -20.289 6.101 -7.100 1.00 22.67 O ATOM 169 CB PRO A 30 -18.325 8.306 -6.175 1.00 18.98 C ATOM 170 CG PRO A 30 -17.872 8.494 -4.743 1.00 18.20 C ATOM 171 CD PRO A 30 -18.793 7.609 -3.959 1.00 20.79 C ATOM 172 N LYS A 31 -21.025 7.963 -8.129 1.00 20.01 N ATOM 173 CA LYS A 31 -21.454 7.285 -9.336 1.00 22.74 C ATOM 174 C LYS A 31 -20.197 6.940 -10.150 1.00 22.72 C ATOM 175 O LYS A 31 -19.109 7.402 -9.815 1.00 23.04 O ATOM 176 CB LYS A 31 -22.450 8.185 -10.079 1.00 24.75 C ATOM 177 CG LYS A 31 -23.849 8.167 -9.459 1.00 26.81 C ATOM 178 CD LYS A 31 -24.745 9.254 -10.046 1.00 31.11 C ATOM 179 CE LYS A 31 -26.034 9.410 -9.251 1.00 35.14 C ATOM 180 NZ LYS A 31 -27.157 8.611 -9.806 1.00 39.50 N ATOM 181 HZ1 LYS A 31 -27.348 8.915 -10.782 1.00 0.00 H ATOM 182 HZ2 LYS A 31 -26.900 7.603 -9.799 1.00 0.00 H ATOM 183 HZ3 LYS A 31 -28.006 8.758 -9.224 1.00 0.00 H ATOM 184 H LYS A 31 -21.213 8.981 -8.029 1.00 0.00 H ATOM 185 N PRO A 32 -20.328 6.109 -11.205 1.00 22.16 N ATOM 186 CA PRO A 32 -19.125 5.549 -11.840 1.00 22.27 C ATOM 187 C PRO A 32 -18.021 6.520 -12.294 1.00 23.78 C ATOM 188 O PRO A 32 -16.852 6.203 -12.068 1.00 24.38 O ATOM 189 CB PRO A 32 -19.695 4.789 -13.036 1.00 23.63 C ATOM 190 CG PRO A 32 -21.029 4.332 -12.544 1.00 24.23 C ATOM 191 CD PRO A 32 -21.553 5.460 -11.709 1.00 24.51 C ATOM 192 N LEU A 33 -18.353 7.648 -12.920 1.00 22.64 N ATOM 193 CA LEU A 33 -17.296 8.544 -13.393 1.00 24.69 C ATOM 194 C LEU A 33 -16.535 9.172 -12.236 1.00 22.11 C ATOM 195 O LEU A 33 -15.304 9.187 -12.228 1.00 23.17 O ATOM 196 CB LEU A 33 -17.827 9.631 -14.332 1.00 26.59 C ATOM 197 CG LEU A 33 -16.772 10.638 -14.813 1.00 27.11 C ATOM 198 CD1 LEU A 33 -15.590 9.954 -15.503 1.00 25.18 C ATOM 199 CD2 LEU A 33 -17.400 11.659 -15.749 1.00 29.84 C ATOM 200 H LEU A 33 -19.353 7.890 -13.071 1.00 0.00 H ATOM 201 N LEU A 34 -17.268 9.689 -11.261 1.00 21.69 N ATOM 202 CA LEU A 34 -16.626 10.271 -10.095 1.00 20.76 C ATOM 203 C LEU A 34 -15.742 9.231 -9.406 1.00 21.45 C ATOM 204 O LEU A 34 -14.597 9.514 -9.050 1.00 22.06 O ATOM 205 CB LEU A 34 -17.669 10.834 -9.126 1.00 20.62 C ATOM 206 CG LEU A 34 -17.107 11.409 -7.826 1.00 20.63 C ATOM 207 CD1 LEU A 34 -16.084 12.496 -8.117 1.00 22.86 C ATOM 208 CD2 LEU A 34 -18.235 11.957 -6.963 1.00 21.33 C ATOM 209 H LEU A 34 -18.306 9.678 -11.331 1.00 0.00 H ATOM 210 N LEU A 35 -16.266 8.020 -9.252 1.00 22.93 N ATOM 211 CA LEU A 35 -15.520 6.946 -8.594 1.00 22.83 C ATOM 212 C LEU A 35 -14.219 6.620 -9.331 1.00 23.42 C ATOM 213 O LEU A 35 -13.186 6.411 -8.717 1.00 25.12 O ATOM 214 CB LEU A 35 -16.385 5.690 -8.461 1.00 22.24 C ATOM 215 CG LEU A 35 -15.830 4.588 -7.554 1.00 22.88 C ATOM 216 CD1 LEU A 35 -15.650 5.110 -6.128 1.00 23.02 C ATOM 217 CD2 LEU A 35 -16.735 3.373 -7.558 1.00 23.89 C ATOM 218 H LEU A 35 -17.225 7.831 -9.606 1.00 0.00 H ATOM 219 N LYS A 36 -14.270 6.584 -10.659 1.00 24.45 N ATOM 220 CA LYS A 36 -13.075 6.333 -11.458 1.00 24.83 C ATOM 221 C LYS A 36 -11.991 7.370 -11.211 1.00 24.02 C ATOM 222 O LYS A 36 -10.823 7.037 -11.066 1.00 26.23 O ATOM 223 CB LYS A 36 -13.430 6.249 -12.939 1.00 25.41 C ATOM 224 CG LYS A 36 -12.223 6.070 -13.867 1.00 29.99 C ATOM 225 CD LYS A 36 -11.878 4.625 -14.098 1.00 35.25 C ATOM 226 H LYS A 36 -15.180 6.738 -11.138 1.00 0.00 H ATOM 227 N LEU A 37 -12.389 8.634 -11.168 1.00 23.73 N ATOM 228 CA LEU A 37 -11.442 9.727 -10.963 1.00 23.35 C ATOM 229 C LEU A 37 -10.720 9.571 -9.635 1.00 24.02 C ATOM 230 O LEU A 37 -9.502 9.729 -9.559 1.00 26.73 O ATOM 231 CB LEU A 37 -12.139 11.102 -11.028 1.00 22.97 C ATOM 232 CG LEU A 37 -12.807 11.508 -12.342 1.00 25.78 C ATOM 233 CD1 LEU A 37 -13.072 13.004 -12.344 1.00 27.10 C ATOM 234 CD2 LEU A 37 -11.942 11.114 -13.514 1.00 28.00 C ATOM 235 H LEU A 37 -13.399 8.852 -11.283 1.00 0.00 H ATOM 236 N LEU A 38 -11.476 9.227 -8.601 1.00 22.74 N ATOM 237 CA LEU A 38 -10.906 9.076 -7.269 1.00 24.47 C ATOM 238 C LEU A 38 -9.945 7.887 -7.207 1.00 26.74 C ATOM 239 O LEU A 38 -8.864 7.979 -6.621 1.00 26.89 O ATOM 240 CB LEU A 38 -12.016 8.926 -6.225 1.00 24.38 C ATOM 241 CG LEU A 38 -13.157 9.954 -6.207 1.00 25.25 C ATOM 242 CD1 LEU A 38 -14.014 9.751 -4.971 1.00 25.32 C ATOM 243 CD2 LEU A 38 -12.680 11.396 -6.291 1.00 24.88 C ATOM 244 H LEU A 38 -12.493 9.062 -8.744 1.00 0.00 H ATOM 245 N LYS A 39 -10.333 6.774 -7.820 1.00 28.24 N ATOM 246 CA LYS A 39 -9.503 5.577 -7.786 1.00 29.30 C ATOM 247 C LYS A 39 -8.196 5.751 -8.561 1.00 32.04 C ATOM 248 O LYS A 39 -7.199 5.093 -8.259 1.00 33.49 O ATOM 249 CB LYS A 39 -10.285 4.352 -8.276 1.00 31.46 C ATOM 250 CG LYS A 39 -11.468 4.008 -7.383 1.00 32.75 C ATOM 251 CD LYS A 39 -11.831 2.536 -7.457 1.00 35.17 C ATOM 252 CE LYS A 39 -12.992 2.209 -6.523 1.00 35.56 C ATOM 253 NZ LYS A 39 -13.341 0.762 -6.557 1.00 38.41 N ATOM 254 HZ1 LYS A 39 -13.615 0.495 -7.524 1.00 0.00 H ATOM 255 HZ2 LYS A 39 -12.517 0.201 -6.262 1.00 0.00 H ATOM 256 HZ3 LYS A 39 -14.134 0.583 -5.909 1.00 0.00 H ATOM 257 H LYS A 39 -11.239 6.757 -8.330 1.00 0.00 H ATOM 258 N SER A 40 -8.198 6.653 -9.539 1.00 30.70 N ATOM 259 CA SER A 40 -7.008 6.903 -10.351 1.00 33.57 C ATOM 260 C SER A 40 -5.886 7.562 -9.547 1.00 34.58 C ATOM 261 O SER A 40 -4.718 7.518 -9.943 1.00 37.90 O ATOM 262 CB SER A 40 -7.352 7.774 -11.559 1.00 34.15 C ATOM 263 OG SER A 40 -7.577 9.115 -11.164 1.00 34.75 O ATOM 264 HG SER A 40 -8.330 9.147 -10.522 1.00 0.00 H ATOM 265 H SER A 40 -9.066 7.193 -9.730 1.00 0.00 H ATOM 266 N VAL A 41 -6.241 8.182 -8.427 1.00 32.39 N ATOM 267 CA VAL A 41 -5.239 8.778 -7.550 1.00 32.43 C ATOM 268 C VAL A 41 -5.144 8.055 -6.208 1.00 33.94 C ATOM 269 O VAL A 41 -4.734 8.640 -5.203 1.00 34.86 O ATOM 270 CB VAL A 41 -5.463 10.296 -7.348 1.00 31.26 C ATOM 271 CG1 VAL A 41 -5.194 11.040 -8.650 1.00 30.11 C ATOM 272 CG2 VAL A 41 -6.867 10.576 -6.837 1.00 29.27 C ATOM 273 H VAL A 41 -7.247 8.243 -8.172 1.00 0.00 H ATOM 274 N GLY A 42 -5.531 6.783 -6.199 1.00 34.91 N ATOM 275 CA GLY A 42 -5.252 5.916 -5.068 1.00 36.23 C ATOM 276 C GLY A 42 -6.394 5.561 -4.133 1.00 34.73 C ATOM 277 O GLY A 42 -6.186 4.815 -3.175 1.00 37.03 O ATOM 278 H GLY A 42 -6.044 6.401 -7.019 1.00 0.00 H ATOM 279 N ALA A 43 -7.592 6.080 -4.388 1.00 31.13 N ATOM 280 CA ALA A 43 -8.738 5.744 -3.545 1.00 30.57 C ATOM 281 C ALA A 43 -9.096 4.267 -3.695 1.00 33.11 C ATOM 282 O ALA A 43 -9.021 3.715 -4.794 1.00 33.59 O ATOM 283 CB ALA A 43 -9.929 6.628 -3.875 1.00 28.74 C ATOM 284 H ALA A 43 -7.714 6.729 -5.192 1.00 0.00 H ATOM 285 N GLN A 44 -9.473 3.622 -2.596 1.00 35.77 N ATOM 286 CA GLN A 44 -9.697 2.177 -2.614 1.00 39.32 C ATOM 287 C GLN A 44 -11.090 1.745 -2.143 1.00 41.36 C ATOM 288 O GLN A 44 -11.324 0.562 -1.901 1.00 44.31 O ATOM 289 CB GLN A 44 -8.625 1.465 -1.782 1.00 40.94 C ATOM 290 H GLN A 44 -9.611 4.152 -1.712 1.00 0.00 H ATOM 291 N LYS A 45 -12.019 2.690 -2.025 1.00 39.69 N ATOM 292 CA LYS A 45 -13.341 2.375 -1.484 1.00 38.60 C ATOM 293 C LYS A 45 -14.494 2.861 -2.365 1.00 34.49 C ATOM 294 O LYS A 45 -14.278 3.542 -3.369 1.00 35.19 O ATOM 295 CB LYS A 45 -13.474 2.962 -0.080 1.00 40.66 C ATOM 296 CG LYS A 45 -12.737 4.274 0.060 1.00 42.20 C ATOM 297 CD LYS A 45 -13.101 5.013 1.326 1.00 44.98 C ATOM 298 CE LYS A 45 -12.101 4.737 2.433 1.00 47.04 C ATOM 299 NZ LYS A 45 -12.089 5.856 3.419 1.00 46.99 N ATOM 300 HZ1 LYS A 45 -11.824 6.739 2.937 1.00 0.00 H ATOM 301 HZ2 LYS A 45 -13.036 5.958 3.837 1.00 0.00 H ATOM 302 HZ3 LYS A 45 -11.399 5.649 4.169 1.00 0.00 H ATOM 303 H LYS A 45 -11.803 3.663 -2.321 1.00 0.00 H ATOM 304 N ASP A 46 -15.716 2.502 -1.975 1.00 32.19 N ATOM 305 CA ASP A 46 -16.915 2.917 -2.698 1.00 32.41 C ATOM 306 C ASP A 46 -17.693 4.007 -1.967 1.00 28.55 C ATOM 307 O ASP A 46 -18.516 4.695 -2.568 1.00 28.05 O ATOM 308 CB ASP A 46 -17.844 1.725 -2.944 1.00 36.25 C ATOM 309 CG ASP A 46 -17.260 0.716 -3.908 1.00 42.58 C ATOM 310 OD1 ASP A 46 -16.343 1.082 -4.678 1.00 42.27 O ATOM 311 OD2 ASP A 46 -17.728 -0.442 -3.901 1.00 46.81 O ATOM 312 H ASP A 46 -15.820 1.907 -1.128 1.00 0.00 H ATOM 313 N THR A 47 -17.441 4.155 -0.669 1.00 27.04 N ATOM 314 CA THR A 47 -18.144 5.149 0.139 1.00 27.33 C ATOM 315 C THR A 47 -17.147 6.096 0.801 1.00 25.87 C ATOM 316 O THR A 47 -16.123 5.656 1.320 1.00 26.84 O ATOM 317 CB THR A 47 -19.012 4.471 1.211 1.00 29.58 C ATOM 318 OG1 THR A 47 -19.916 3.555 0.578 1.00 31.95 O ATOM 319 CG2 THR A 47 -19.804 5.505 2.013 1.00 30.53 C ATOM 320 HG1 THR A 47 -20.476 3.117 1.267 1.00 0.00 H ATOM 321 H THR A 47 -16.726 3.548 -0.219 1.00 0.00 H ATOM 322 N TYR A 48 -17.453 7.392 0.772 1.00 22.61 N ATOM 323 CA TYR A 48 -16.534 8.432 1.225 1.00 23.99 C ATOM 324 C TYR A 48 -17.281 9.515 1.982 1.00 21.84 C ATOM 325 O TYR A 48 -18.495 9.643 1.848 1.00 21.09 O ATOM 326 CB TYR A 48 -15.869 9.096 0.015 1.00 24.66 C ATOM 327 CG TYR A 48 -15.080 8.155 -0.860 1.00 26.37 C ATOM 328 CD1 TYR A 48 -13.705 8.052 -0.723 1.00 29.95 C ATOM 329 CD2 TYR A 48 -15.707 7.371 -1.822 1.00 27.39 C ATOM 330 CE1 TYR A 48 -12.971 7.199 -1.514 1.00 31.38 C ATOM 331 CE2 TYR A 48 -14.982 6.503 -2.616 1.00 28.37 C ATOM 332 CZ TYR A 48 -13.613 6.422 -2.456 1.00 31.23 C ATOM 333 OH TYR A 48 -12.873 5.566 -3.238 1.00 33.58 O ATOM 334 HH TYR A 48 -13.184 4.637 -3.094 1.00 0.00 H ATOM 335 H TYR A 48 -18.386 7.675 0.411 1.00 0.00 H ATOM 336 N THR A 49 -16.550 10.303 2.770 1.00 21.70 N ATOM 337 CA THR A 49 -17.077 11.580 3.249 1.00 21.27 C ATOM 338 C THR A 49 -16.793 12.628 2.182 1.00 21.08 C ATOM 339 O THR A 49 -15.873 12.460 1.382 1.00 20.95 O ATOM 340 CB THR A 49 -16.411 12.031 4.567 1.00 22.90 C ATOM 341 OG1 THR A 49 -15.008 12.239 4.348 1.00 24.90 O ATOM 342 CG2 THR A 49 -16.608 10.985 5.652 1.00 25.60 C ATOM 343 HG1 THR A 49 -14.582 12.528 5.194 1.00 0.00 H ATOM 344 H THR A 49 -15.593 10.006 3.048 1.00 0.00 H ATOM 345 N MET A 50 -17.578 13.702 2.155 1.00 20.33 N ATOM 346 CA MET A 50 -17.350 14.769 1.178 1.00 18.51 C ATOM 347 C MET A 50 -15.937 15.366 1.248 1.00 18.20 C ATOM 348 O MET A 50 -15.325 15.628 0.216 1.00 18.75 O ATOM 349 CB MET A 50 -18.425 15.859 1.271 1.00 17.48 C ATOM 350 CG MET A 50 -19.771 15.450 0.666 1.00 15.75 C ATOM 351 SD MET A 50 -19.704 15.206 -1.129 1.00 20.05 S ATOM 352 CE MET A 50 -19.548 16.887 -1.708 1.00 20.06 C ATOM 353 H MET A 50 -18.361 13.785 2.834 1.00 0.00 H ATOM 354 N LYS A 51 -15.391 15.554 2.450 1.00 18.11 N ATOM 355 CA LYS A 51 -14.055 16.128 2.571 1.00 18.83 C ATOM 356 C LYS A 51 -12.995 15.228 1.926 1.00 19.72 C ATOM 357 O LYS A 51 -11.968 15.710 1.441 1.00 20.01 O ATOM 358 CB LYS A 51 -13.712 16.440 4.034 1.00 20.92 C ATOM 359 CG LYS A 51 -13.620 15.227 4.943 1.00 21.83 C ATOM 360 CD LYS A 51 -13.264 15.642 6.365 1.00 22.87 C ATOM 361 CE LYS A 51 -12.852 14.442 7.197 1.00 24.52 C ATOM 362 NZ LYS A 51 -13.949 13.443 7.313 1.00 24.73 N ATOM 363 HZ1 LYS A 51 -14.773 13.886 7.766 1.00 0.00 H ATOM 364 HZ2 LYS A 51 -14.212 13.107 6.365 1.00 0.00 H ATOM 365 HZ3 LYS A 51 -13.625 12.640 7.889 1.00 0.00 H ATOM 366 H LYS A 51 -15.920 15.290 3.306 1.00 0.00 H ATOM 367 N GLU A 52 -13.253 13.919 1.918 1.00 19.45 N ATOM 368 CA GLU A 52 -12.369 12.953 1.260 1.00 20.84 C ATOM 369 C GLU A 52 -12.500 13.078 -0.252 1.00 19.96 C ATOM 370 O GLU A 52 -11.502 13.031 -0.978 1.00 19.37 O ATOM 371 CB GLU A 52 -12.716 11.519 1.663 1.00 24.32 C ATOM 372 CG GLU A 52 -12.288 11.093 3.059 1.00 30.48 C ATOM 373 CD GLU A 52 -12.489 9.606 3.266 1.00 36.24 C ATOM 374 OE1 GLU A 52 -13.629 9.127 3.086 1.00 36.97 O ATOM 375 OE2 GLU A 52 -11.503 8.907 3.582 1.00 40.24 O ATOM 376 H GLU A 52 -14.110 13.573 2.395 1.00 0.00 H ATOM 377 N VAL A 53 -13.735 13.215 -0.725 1.00 18.97 N ATOM 378 CA VAL A 53 -13.973 13.422 -2.149 1.00 18.17 C ATOM 379 C VAL A 53 -13.247 14.681 -2.630 1.00 19.47 C ATOM 380 O VAL A 53 -12.597 14.665 -3.677 1.00 20.72 O ATOM 381 CB VAL A 53 -15.480 13.495 -2.484 1.00 18.04 C ATOM 382 CG1 VAL A 53 -15.678 13.790 -3.972 1.00 18.56 C ATOM 383 CG2 VAL A 53 -16.163 12.189 -2.110 1.00 19.33 C ATOM 384 H VAL A 53 -14.542 13.174 -0.071 1.00 0.00 H ATOM 385 N LEU A 54 -13.337 15.764 -1.859 1.00 18.17 N ATOM 386 CA LEU A 54 -12.650 16.999 -2.224 1.00 18.48 C ATOM 387 C LEU A 54 -11.127 16.817 -2.271 1.00 20.79 C ATOM 388 O LEU A 54 -10.469 17.350 -3.166 1.00 21.73 O ATOM 389 CB LEU A 54 -13.045 18.160 -1.295 1.00 18.63 C ATOM 390 CG LEU A 54 -14.274 18.982 -1.707 1.00 18.46 C ATOM 391 CD1 LEU A 54 -14.046 19.700 -3.041 1.00 19.33 C ATOM 392 CD2 LEU A 54 -15.534 18.125 -1.763 1.00 19.14 C ATOM 393 H LEU A 54 -13.903 15.729 -0.987 1.00 0.00 H ATOM 394 N PHE A 55 -10.569 16.061 -1.321 1.00 18.33 N ATOM 395 CA PHE A 55 -9.133 15.770 -1.339 1.00 19.36 C ATOM 396 C PHE A 55 -8.719 15.040 -2.614 1.00 20.70 C ATOM 397 O PHE A 55 -7.775 15.450 -3.293 1.00 21.60 O ATOM 398 CB PHE A 55 -8.697 14.941 -0.122 1.00 19.77 C ATOM 399 CG PHE A 55 -7.291 14.395 -0.234 1.00 20.74 C ATOM 400 CD1 PHE A 55 -6.194 15.201 0.036 1.00 23.33 C ATOM 401 CD2 PHE A 55 -7.068 13.079 -0.620 1.00 22.62 C ATOM 402 CE1 PHE A 55 -4.901 14.705 -0.077 1.00 24.85 C ATOM 403 CE2 PHE A 55 -5.779 12.578 -0.736 1.00 24.51 C ATOM 404 CZ PHE A 55 -4.694 13.392 -0.461 1.00 23.67 C ATOM 405 H PHE A 55 -11.162 15.674 -0.559 1.00 0.00 H ATOM 406 N TYR A 56 -9.410 13.946 -2.922 1.00 19.57 N ATOM 407 CA TYR A 56 -9.037 13.123 -4.063 1.00 20.79 C ATOM 408 C TYR A 56 -9.254 13.873 -5.372 1.00 21.30 C ATOM 409 O TYR A 56 -8.454 13.749 -6.297 1.00 22.62 O ATOM 410 CB TYR A 56 -9.790 11.789 -4.063 1.00 21.89 C ATOM 411 CG TYR A 56 -9.258 10.770 -3.079 1.00 25.59 C ATOM 412 CD1 TYR A 56 -7.952 10.299 -3.168 1.00 28.31 C ATOM 413 CD2 TYR A 56 -10.070 10.262 -2.071 1.00 26.45 C ATOM 414 CE1 TYR A 56 -7.466 9.359 -2.269 1.00 31.05 C ATOM 415 CE2 TYR A 56 -9.596 9.324 -1.176 1.00 29.56 C ATOM 416 CZ TYR A 56 -8.294 8.876 -1.279 1.00 31.92 C ATOM 417 OH TYR A 56 -7.823 7.939 -0.384 1.00 35.56 O ATOM 418 HH TYR A 56 -8.370 7.116 -0.451 1.00 0.00 H ATOM 419 H TYR A 56 -10.228 13.675 -2.340 1.00 0.00 H ATOM 420 N LEU A 57 -10.322 14.663 -5.451 1.00 21.62 N ATOM 421 CA LEU A 57 -10.571 15.466 -6.646 1.00 21.90 C ATOM 422 C LEU A 57 -9.499 16.533 -6.809 1.00 21.49 C ATOM 423 O LEU A 57 -9.082 16.847 -7.924 1.00 22.14 O ATOM 424 CB LEU A 57 -11.956 16.112 -6.608 1.00 22.29 C ATOM 425 CG LEU A 57 -13.145 15.237 -6.997 1.00 21.85 C ATOM 426 CD1 LEU A 57 -14.436 16.014 -6.810 1.00 23.34 C ATOM 427 CD2 LEU A 57 -13.022 14.749 -8.445 1.00 21.06 C ATOM 428 H LEU A 57 -10.987 14.709 -4.653 1.00 0.00 H ATOM 429 N GLY A 58 -9.046 17.089 -5.689 1.00 20.67 N ATOM 430 CA GLY A 58 -7.938 18.019 -5.716 1.00 21.58 C ATOM 431 C GLY A 58 -6.691 17.330 -6.251 1.00 22.49 C ATOM 432 O GLY A 58 -5.968 17.895 -7.066 1.00 22.76 O ATOM 433 H GLY A 58 -9.494 16.852 -4.781 1.00 0.00 H ATOM 434 N GLN A 59 -6.439 16.104 -5.800 1.00 21.67 N ATOM 435 CA GLN A 59 -5.269 15.350 -6.258 1.00 22.69 C ATOM 436 C GLN A 59 -5.365 15.036 -7.743 1.00 23.73 C ATOM 437 O GLN A 59 -4.369 15.075 -8.461 1.00 25.06 O ATOM 438 CB GLN A 59 -5.112 14.051 -5.467 1.00 23.94 C ATOM 439 CG GLN A 59 -4.759 14.266 -4.010 1.00 23.49 C ATOM 440 CD GLN A 59 -3.473 15.041 -3.836 1.00 25.11 C ATOM 441 OE1 GLN A 59 -3.479 16.173 -3.348 1.00 29.19 O ATOM 442 NE2 GLN A 59 -2.361 14.432 -4.211 1.00 22.80 N ATOM 443 HE22 GLN A 59 -2.404 13.476 -4.618 1.00 0.00 H ATOM 444 HE21 GLN A 59 -1.444 14.909 -4.099 1.00 0.00 H ATOM 445 H GLN A 59 -7.085 15.672 -5.109 1.00 0.00 H ATOM 446 N TYR A 60 -6.576 14.716 -8.182 1.00 21.97 N ATOM 447 CA TYR A 60 -6.840 14.462 -9.585 1.00 23.06 C ATOM 448 C TYR A 60 -6.527 15.708 -10.415 1.00 23.80 C ATOM 449 O TYR A 60 -5.833 15.630 -11.425 1.00 24.47 O ATOM 450 CB TYR A 60 -8.294 14.034 -9.784 1.00 19.97 C ATOM 451 CG TYR A 60 -8.644 13.892 -11.238 1.00 21.85 C ATOM 452 CD1 TYR A 60 -8.317 12.738 -11.928 1.00 23.28 C ATOM 453 CD2 TYR A 60 -9.275 14.919 -11.924 1.00 23.75 C ATOM 454 CE1 TYR A 60 -8.614 12.602 -13.266 1.00 24.82 C ATOM 455 CE2 TYR A 60 -9.580 14.791 -13.267 1.00 24.98 C ATOM 456 CZ TYR A 60 -9.246 13.630 -13.929 1.00 27.10 C ATOM 457 OH TYR A 60 -9.543 13.489 -15.263 1.00 29.25 O ATOM 458 HH TYR A 60 -9.085 14.199 -15.779 1.00 0.00 H ATOM 459 H TYR A 60 -7.358 14.645 -7.500 1.00 0.00 H ATOM 460 N ILE A 61 -7.032 16.855 -9.967 1.00 23.85 N ATOM 461 CA ILE A 61 -6.802 18.125 -10.652 1.00 23.00 C ATOM 462 C ILE A 61 -5.309 18.446 -10.803 1.00 24.86 C ATOM 463 O ILE A 61 -4.855 18.874 -11.864 1.00 25.41 O ATOM 464 CB ILE A 61 -7.530 19.281 -9.926 1.00 23.82 C ATOM 465 CG1 ILE A 61 -9.041 19.196 -10.168 1.00 22.92 C ATOM 466 CG2 ILE A 61 -6.988 20.632 -10.370 1.00 24.64 C ATOM 467 CD1 ILE A 61 -9.865 20.165 -9.316 1.00 21.99 C ATOM 468 H ILE A 61 -7.609 16.847 -9.102 1.00 0.00 H ATOM 469 N MET A 62 -4.543 18.234 -9.739 1.00 24.33 N ATOM 470 CA MET A 62 -3.131 18.555 -9.810 1.00 26.22 C ATOM 471 C MET A 62 -2.351 17.529 -10.643 1.00 28.70 C ATOM 472 O MET A 62 -1.428 17.909 -11.364 1.00 31.04 O ATOM 473 CB MET A 62 -2.550 18.783 -8.406 1.00 25.48 C ATOM 474 CG MET A 62 -3.182 20.000 -7.711 1.00 25.04 C ATOM 475 SD MET A 62 -2.748 20.238 -5.972 1.00 24.98 S ATOM 476 CE MET A 62 -3.280 18.673 -5.289 1.00 30.91 C ATOM 477 H MET A 62 -4.951 17.843 -8.866 1.00 0.00 H ATOM 478 N THR A 63 -2.742 16.261 -10.571 1.00 29.29 N ATOM 479 CA THR A 63 -2.077 15.207 -11.318 1.00 31.15 C ATOM 480 C THR A 63 -2.314 15.397 -12.813 1.00 29.83 C ATOM 481 O THR A 63 -1.411 15.183 -13.624 1.00 33.38 O ATOM 482 CB THR A 63 -2.551 13.810 -10.854 1.00 33.02 C ATOM 483 OG1 THR A 63 -2.217 13.634 -9.470 1.00 35.20 O ATOM 484 CG2 THR A 63 -1.891 12.711 -11.663 1.00 35.78 C ATOM 485 HG1 THR A 63 -2.666 14.333 -8.932 1.00 0.00 H ATOM 486 H THR A 63 -3.548 16.016 -9.962 1.00 0.00 H ATOM 487 N LYS A 64 -3.522 15.828 -13.169 1.00 27.81 N ATOM 488 CA LYS A 64 -3.869 16.060 -14.572 1.00 30.59 C ATOM 489 C LYS A 64 -3.436 17.433 -15.088 1.00 31.59 C ATOM 490 O LYS A 64 -3.687 17.765 -16.250 1.00 33.16 O ATOM 491 CB LYS A 64 -5.372 15.879 -14.801 1.00 31.86 C ATOM 492 CG LYS A 64 -5.913 14.526 -14.379 1.00 35.21 C ATOM 493 CD LYS A 64 -5.239 13.383 -15.112 1.00 40.90 C ATOM 494 CE LYS A 64 -5.578 13.410 -16.586 1.00 45.24 C ATOM 495 NZ LYS A 64 -5.293 12.101 -17.241 1.00 49.63 N ATOM 496 HZ1 LYS A 64 -4.282 11.877 -17.141 1.00 0.00 H ATOM 497 HZ2 LYS A 64 -5.861 11.357 -16.787 1.00 0.00 H ATOM 498 HZ3 LYS A 64 -5.538 12.159 -18.250 1.00 0.00 H ATOM 499 H LYS A 64 -4.236 16.004 -12.433 1.00 0.00 H ATOM 500 N ARG A 65 -2.788 18.219 -14.231 1.00 30.74 N ATOM 501 CA ARG A 65 -2.246 19.525 -14.614 1.00 34.03 C ATOM 502 C ARG A 65 -3.326 20.523 -15.018 1.00 32.25 C ATOM 503 O ARG A 65 -3.130 21.324 -15.934 1.00 33.50 O ATOM 504 CB ARG A 65 -1.219 19.380 -15.740 1.00 41.09 C ATOM 505 CG ARG A 65 -0.019 18.550 -15.355 1.00 45.53 C ATOM 506 CD ARG A 65 0.924 19.355 -14.490 1.00 50.13 C ATOM 507 NE ARG A 65 2.028 19.899 -15.274 1.00 57.55 N ATOM 508 CZ ARG A 65 2.851 20.846 -14.840 1.00 61.40 C ATOM 509 NH1 ARG A 65 2.684 21.363 -13.631 1.00 61.19 N ATOM 510 NH2 ARG A 65 3.833 21.283 -15.616 1.00 65.16 N ATOM 511 HE ARG A 65 2.179 19.522 -16.231 1.00 0.00 H ATOM 512 HH12 ARG A 65 3.328 22.105 -13.289 1.00 0.00 H ATOM 513 HH11 ARG A 65 1.909 21.027 -13.024 1.00 0.00 H ATOM 514 HH22 ARG A 65 4.476 22.025 -15.273 1.00 0.00 H ATOM 515 HH21 ARG A 65 3.960 20.884 -16.568 1.00 0.00 H ATOM 516 H ARG A 65 -2.662 17.893 -13.251 1.00 0.00 H ATOM 517 N LEU A 66 -4.461 20.473 -14.331 1.00 27.53 N ATOM 518 CA LEU A 66 -5.593 21.338 -14.645 1.00 28.91 C ATOM 519 C LEU A 66 -5.571 22.667 -13.884 1.00 28.85 C ATOM 520 O LEU A 66 -6.434 23.521 -14.092 1.00 29.05 O ATOM 521 CB LEU A 66 -6.909 20.600 -14.377 1.00 27.96 C ATOM 522 CG LEU A 66 -7.065 19.293 -15.161 1.00 27.26 C ATOM 523 CD1 LEU A 66 -8.422 18.649 -14.907 1.00 26.49 C ATOM 524 CD2 LEU A 66 -6.844 19.536 -16.644 1.00 29.63 C ATOM 525 H LEU A 66 -4.546 19.797 -13.545 1.00 0.00 H ATOM 526 N TYR A 67 -4.592 22.843 -12.999 1.00 26.73 N ATOM 527 CA TYR A 67 -4.502 24.067 -12.209 1.00 26.72 C ATOM 528 C TYR A 67 -3.051 24.550 -12.082 1.00 28.31 C ATOM 529 O TYR A 67 -2.503 24.632 -10.986 1.00 27.91 O ATOM 530 CB TYR A 67 -5.136 23.844 -10.830 1.00 25.56 C ATOM 531 CG TYR A 67 -5.307 25.102 -10.008 1.00 25.89 C ATOM 532 CD1 TYR A 67 -5.905 26.233 -10.546 1.00 27.10 C ATOM 533 CD2 TYR A 67 -4.885 25.152 -8.684 1.00 27.92 C ATOM 534 CE1 TYR A 67 -6.067 27.385 -9.794 1.00 28.09 C ATOM 535 CE2 TYR A 67 -5.043 26.296 -7.928 1.00 27.38 C ATOM 536 CZ TYR A 67 -5.633 27.409 -8.484 1.00 27.96 C ATOM 537 OH TYR A 67 -5.792 28.556 -7.730 1.00 29.13 O ATOM 538 HH TYR A 67 -4.905 28.879 -7.431 1.00 0.00 H ATOM 539 H TYR A 67 -3.880 22.096 -12.869 1.00 0.00 H ATOM 540 N ASP A 68 -2.423 24.856 -13.214 1.00 31.21 N ATOM 541 CA ASP A 68 -1.030 25.300 -13.215 1.00 33.51 C ATOM 542 C ASP A 68 -0.881 26.772 -12.853 1.00 35.09 C ATOM 543 O ASP A 68 0.149 27.178 -12.319 1.00 38.78 O ATOM 544 CB ASP A 68 -0.373 25.068 -14.582 1.00 34.44 C ATOM 545 CG ASP A 68 -0.020 23.611 -14.837 1.00 40.37 C ATOM 546 OD1 ASP A 68 -0.042 22.798 -13.892 1.00 37.64 O ATOM 547 OD2 ASP A 68 0.296 23.281 -15.999 1.00 43.90 O ATOM 548 H ASP A 68 -2.933 24.778 -14.117 1.00 0.00 H ATOM 549 N GLU A 69 -1.892 27.577 -13.162 1.00 35.49 N ATOM 550 CA GLU A 69 -1.822 29.008 -12.867 1.00 38.89 C ATOM 551 C GLU A 69 -2.393 29.304 -11.489 1.00 36.06 C ATOM 552 O GLU A 69 -3.581 29.588 -11.338 1.00 33.93 O ATOM 553 CB GLU A 69 -2.531 29.837 -13.936 1.00 44.30 C ATOM 554 CG GLU A 69 -1.706 30.068 -15.194 1.00 52.16 C ATOM 555 CD GLU A 69 -1.793 28.905 -16.151 1.00 55.63 C ATOM 556 OE1 GLU A 69 -2.744 28.106 -16.016 1.00 55.94 O ATOM 557 OE2 GLU A 69 -0.916 28.788 -17.033 1.00 58.08 O ATOM 558 H GLU A 69 -2.741 27.186 -13.618 1.00 0.00 H ATOM 559 N LYS A 70 -1.519 29.246 -10.492 1.00 38.14 N ATOM 560 CA LYS A 70 -1.921 29.272 -9.094 1.00 37.53 C ATOM 561 C LYS A 70 -2.471 30.625 -8.654 1.00 40.18 C ATOM 562 O LYS A 70 -3.164 30.727 -7.645 1.00 37.98 O ATOM 563 CB LYS A 70 -0.726 28.898 -8.216 1.00 38.96 C ATOM 564 CG LYS A 70 -0.053 27.601 -8.613 1.00 39.04 C ATOM 565 CD LYS A 70 -1.002 26.434 -8.464 1.00 35.23 C ATOM 566 CE LYS A 70 -0.270 25.114 -8.628 1.00 35.25 C ATOM 567 NZ LYS A 70 -1.197 23.964 -8.498 1.00 31.57 N ATOM 568 HZ1 LYS A 70 -1.641 23.982 -7.557 1.00 0.00 H ATOM 569 HZ2 LYS A 70 -1.932 24.028 -9.231 1.00 0.00 H ATOM 570 HZ3 LYS A 70 -0.666 23.077 -8.615 1.00 0.00 H ATOM 571 H LYS A 70 -0.506 29.179 -10.719 1.00 0.00 H ATOM 572 N GLN A 71 -2.160 31.659 -9.426 1.00 43.39 N ATOM 573 CA GLN A 71 -2.503 33.027 -9.064 1.00 45.93 C ATOM 574 C GLN A 71 -3.912 33.435 -9.502 1.00 45.39 C ATOM 575 O GLN A 71 -4.443 34.443 -9.039 1.00 45.57 O ATOM 576 CB GLN A 71 -1.467 33.998 -9.651 1.00 50.72 C ATOM 577 CG GLN A 71 -1.463 34.098 -11.181 1.00 55.16 C ATOM 578 CD GLN A 71 -0.931 32.851 -11.878 1.00 57.18 C ATOM 579 OE1 GLN A 71 -1.361 32.517 -12.981 1.00 57.60 O ATOM 580 NE2 GLN A 71 0.015 32.168 -11.242 1.00 58.34 N ATOM 581 HE22 GLN A 71 0.349 32.487 -10.310 1.00 0.00 H ATOM 582 HE21 GLN A 71 0.421 31.315 -11.676 1.00 0.00 H ATOM 583 H GLN A 71 -1.655 31.486 -10.319 1.00 0.00 H ATOM 584 N GLN A 72 -4.518 32.638 -10.378 1.00 43.25 N ATOM 585 CA GLN A 72 -5.721 33.057 -11.100 1.00 45.36 C ATOM 586 C GLN A 72 -7.015 32.387 -10.627 1.00 42.15 C ATOM 587 O GLN A 72 -8.109 32.883 -10.895 1.00 44.59 O ATOM 588 CB GLN A 72 -5.507 32.868 -12.609 1.00 48.46 C ATOM 589 CG GLN A 72 -6.528 31.993 -13.325 1.00 50.59 C ATOM 590 CD GLN A 72 -6.135 31.708 -14.767 1.00 55.42 C ATOM 591 OE1 GLN A 72 -5.270 30.874 -15.028 1.00 56.48 O ATOM 592 NE2 GLN A 72 -6.762 32.408 -15.709 1.00 58.33 N ATOM 593 HE22 GLN A 72 -7.488 33.104 -15.443 1.00 0.00 H ATOM 594 HE21 GLN A 72 -6.526 32.259 -16.711 1.00 0.00 H ATOM 595 H GLN A 72 -4.126 31.691 -10.555 1.00 0.00 H ATOM 596 N HIS A 73 -6.877 31.263 -9.930 1.00 35.77 N ATOM 597 CA HIS A 73 -8.005 30.565 -9.292 1.00 33.48 C ATOM 598 C HIS A 73 -9.069 29.988 -10.231 1.00 32.83 C ATOM 599 O HIS A 73 -10.119 29.541 -9.775 1.00 30.44 O ATOM 600 CB HIS A 73 -8.667 31.442 -8.227 1.00 34.49 C ATOM 601 CG HIS A 73 -7.713 31.963 -7.213 1.00 35.21 C ATOM 602 ND1 HIS A 73 -7.099 33.200 -7.329 1.00 38.90 N ATOM 603 CD2 HIS A 73 -7.240 31.431 -6.054 1.00 33.51 C ATOM 604 CE1 HIS A 73 -6.301 33.397 -6.294 1.00 38.07 C ATOM 605 NE2 HIS A 73 -6.376 32.339 -5.507 1.00 34.30 N ATOM 606 H HIS A 73 -5.925 30.857 -9.831 1.00 0.00 H ATOM 607 N ILE A 74 -8.801 29.974 -11.532 1.00 33.41 N ATOM 608 CA ILE A 74 -9.700 29.301 -12.466 1.00 35.47 C ATOM 609 C ILE A 74 -9.138 27.933 -12.829 1.00 35.14 C ATOM 610 O ILE A 74 -7.948 27.803 -13.106 1.00 34.97 O ATOM 611 CB ILE A 74 -9.884 30.112 -13.753 1.00 36.36 C ATOM 612 CG1 ILE A 74 -10.418 31.511 -13.438 1.00 38.10 C ATOM 613 CG2 ILE A 74 -10.821 29.378 -14.716 1.00 36.25 C ATOM 614 CD1 ILE A 74 -11.819 31.520 -12.872 1.00 37.82 C ATOM 615 H ILE A 74 -7.945 30.446 -11.888 1.00 0.00 H ATOM 616 N VAL A 75 -9.986 26.910 -12.794 1.00 34.94 N ATOM 617 CA VAL A 75 -9.617 25.601 -13.314 1.00 36.14 C ATOM 618 C VAL A 75 -10.288 25.425 -14.666 1.00 37.06 C ATOM 619 O VAL A 75 -11.505 25.557 -14.779 1.00 35.70 O ATOM 620 CB VAL A 75 -10.051 24.447 -12.383 1.00 33.14 C ATOM 621 CG1 VAL A 75 -10.091 23.129 -13.149 1.00 34.31 C ATOM 622 CG2 VAL A 75 -9.115 24.335 -11.197 1.00 32.12 C ATOM 623 H VAL A 75 -10.933 27.047 -12.387 1.00 0.00 H ATOM 624 N TYR A 76 -9.496 25.155 -15.698 1.00 42.13 N ATOM 625 CA TYR A 76 -10.052 24.869 -17.013 1.00 43.64 C ATOM 626 C TYR A 76 -10.086 23.361 -17.237 1.00 40.17 C ATOM 627 O TYR A 76 -9.060 22.685 -17.132 1.00 38.06 O ATOM 628 CB TYR A 76 -9.249 25.564 -18.113 1.00 49.59 C ATOM 629 CG TYR A 76 -9.934 25.555 -19.463 1.00 55.38 C ATOM 630 CD1 TYR A 76 -10.896 26.508 -19.782 1.00 57.94 C ATOM 631 CD2 TYR A 76 -9.622 24.593 -20.419 1.00 56.97 C ATOM 632 CE1 TYR A 76 -11.525 26.503 -21.017 1.00 60.41 C ATOM 633 CE2 TYR A 76 -10.246 24.581 -21.651 1.00 60.15 C ATOM 634 CZ TYR A 76 -11.195 25.539 -21.946 1.00 61.69 C ATOM 635 OH TYR A 76 -11.817 25.529 -23.175 1.00 64.58 O ATOM 636 HH TYR A 76 -12.464 26.277 -23.222 1.00 0.00 H ATOM 637 H TYR A 76 -8.465 25.148 -15.565 1.00 0.00 H ATOM 638 N CYS A 77 -11.269 22.840 -17.545 1.00 38.21 N ATOM 639 CA CYS A 77 -11.481 21.396 -17.582 1.00 36.17 C ATOM 640 C CYS A 77 -12.344 20.960 -18.763 1.00 37.14 C ATOM 641 O CYS A 77 -12.799 19.819 -18.824 1.00 33.74 O ATOM 642 CB CYS A 77 -12.106 20.932 -16.259 1.00 33.74 C ATOM 643 SG CYS A 77 -13.576 21.870 -15.760 1.00 34.57 S ATOM 644 H CYS A 77 -12.062 23.476 -17.765 1.00 0.00 H ATOM 645 N SER A 78 -12.541 21.869 -19.713 1.00 40.22 N ATOM 646 CA SER A 78 -13.425 21.633 -20.850 1.00 42.42 C ATOM 647 C SER A 78 -13.095 20.363 -21.639 1.00 42.06 C ATOM 648 O SER A 78 -13.980 19.749 -22.236 1.00 43.79 O ATOM 649 CB SER A 78 -13.406 22.844 -21.784 1.00 46.00 C ATOM 650 OG SER A 78 -14.490 22.798 -22.689 1.00 50.42 O ATOM 651 HG SER A 78 -14.429 21.974 -23.234 1.00 0.00 H ATOM 652 H SER A 78 -12.047 22.782 -19.643 1.00 0.00 H ATOM 653 N ASN A 79 -11.825 19.970 -21.632 1.00 40.28 N ATOM 654 CA ASN A 79 -11.383 18.818 -22.410 1.00 40.28 C ATOM 655 C ASN A 79 -10.976 17.620 -21.562 1.00 36.23 C ATOM 656 O ASN A 79 -10.418 16.646 -22.068 1.00 38.76 O ATOM 657 CB ASN A 79 -10.248 19.221 -23.345 1.00 44.25 C ATOM 658 CG ASN A 79 -10.698 20.207 -24.398 1.00 49.10 C ATOM 659 OD1 ASN A 79 -11.415 19.843 -25.328 1.00 50.20 O ATOM 660 ND2 ASN A 79 -10.289 21.465 -24.256 1.00 50.99 N ATOM 661 HD22 ASN A 79 -9.683 21.727 -23.453 1.00 0.00 H ATOM 662 HD21 ASN A 79 -10.576 22.186 -24.948 1.00 0.00 H ATOM 663 H ASN A 79 -11.133 20.495 -21.060 1.00 0.00 H ATOM 664 N ASP A 80 -11.266 17.697 -20.269 1.00 32.49 N ATOM 665 CA ASP A 80 -10.951 16.618 -19.353 1.00 30.38 C ATOM 666 C ASP A 80 -12.248 15.950 -18.925 1.00 28.66 C ATOM 667 O ASP A 80 -13.321 16.539 -19.048 1.00 29.16 O ATOM 668 CB ASP A 80 -10.231 17.193 -18.130 1.00 29.27 C ATOM 669 CG ASP A 80 -9.636 16.123 -17.234 1.00 30.71 C ATOM 670 OD1 ASP A 80 -8.511 15.668 -17.525 1.00 33.44 O ATOM 671 OD2 ASP A 80 -10.275 15.764 -16.222 1.00 28.21 O ATOM 672 H ASP A 80 -11.731 18.553 -19.904 1.00 0.00 H ATOM 673 N LEU A 81 -12.143 14.726 -18.416 1.00 28.68 N ATOM 674 CA LEU A 81 -13.270 14.044 -17.790 1.00 27.62 C ATOM 675 C LEU A 81 -13.976 14.921 -16.758 1.00 24.93 C ATOM 676 O LEU A 81 -15.191 14.840 -16.597 1.00 26.51 O ATOM 677 CB LEU A 81 -12.799 12.760 -17.106 1.00 28.11 C ATOM 678 CG LEU A 81 -12.180 11.724 -18.041 1.00 28.80 C ATOM 679 CD1 LEU A 81 -11.704 10.521 -17.251 1.00 31.96 C ATOM 680 CD2 LEU A 81 -13.178 11.300 -19.113 1.00 28.76 C ATOM 681 H LEU A 81 -11.226 14.238 -18.466 1.00 0.00 H ATOM 682 N LEU A 82 -13.211 15.754 -16.057 1.00 24.95 N ATOM 683 CA LEU A 82 -13.773 16.615 -15.019 1.00 24.62 C ATOM 684 C LEU A 82 -14.806 17.574 -15.601 1.00 26.28 C ATOM 685 O LEU A 82 -15.824 17.867 -14.975 1.00 26.20 O ATOM 686 CB LEU A 82 -12.664 17.399 -14.320 1.00 24.29 C ATOM 687 CG LEU A 82 -13.120 18.324 -13.187 1.00 25.99 C ATOM 688 CD1 LEU A 82 -13.870 17.546 -12.111 1.00 24.16 C ATOM 689 CD2 LEU A 82 -11.930 19.059 -12.596 1.00 27.39 C ATOM 690 H LEU A 82 -12.190 15.793 -16.252 1.00 0.00 H ATOM 691 N GLY A 83 -14.544 18.050 -16.812 1.00 26.17 N ATOM 692 CA GLY A 83 -15.473 18.932 -17.490 1.00 31.23 C ATOM 693 C GLY A 83 -16.796 18.246 -17.764 1.00 32.69 C ATOM 694 O GLY A 83 -17.860 18.844 -17.608 1.00 33.12 O ATOM 695 H GLY A 83 -13.655 17.785 -17.283 1.00 0.00 H ATOM 696 N ASP A 84 -16.731 16.983 -18.173 1.00 33.63 N ATOM 697 CA ASP A 84 -17.940 16.206 -18.418 1.00 35.02 C ATOM 698 C ASP A 84 -18.677 15.937 -17.115 1.00 35.12 C ATOM 699 O ASP A 84 -19.902 16.030 -17.051 1.00 37.37 O ATOM 700 CB ASP A 84 -17.603 14.885 -19.114 1.00 35.80 C ATOM 701 CG ASP A 84 -18.285 14.744 -20.462 1.00 38.06 C ATOM 702 OD1 ASP A 84 -19.267 15.474 -20.716 1.00 40.24 O ATOM 703 OD2 ASP A 84 -17.840 13.902 -21.267 1.00 37.68 O ATOM 704 H ASP A 84 -15.801 16.541 -18.321 1.00 0.00 H ATOM 705 N LEU A 85 -17.919 15.613 -16.074 1.00 30.94 N ATOM 706 CA LEU A 85 -18.482 15.333 -14.759 1.00 31.21 C ATOM 707 C LEU A 85 -19.277 16.517 -14.211 1.00 33.31 C ATOM 708 O LEU A 85 -20.391 16.350 -13.711 1.00 35.28 O ATOM 709 CB LEU A 85 -17.363 14.975 -13.780 1.00 30.94 C ATOM 710 CG LEU A 85 -17.756 14.603 -12.351 1.00 32.12 C ATOM 711 CD1 LEU A 85 -18.221 13.155 -12.278 1.00 34.86 C ATOM 712 CD2 LEU A 85 -16.591 14.853 -11.411 1.00 31.09 C ATOM 713 H LEU A 85 -16.888 15.557 -16.201 1.00 0.00 H ATOM 714 N PHE A 86 -18.698 17.711 -14.309 1.00 32.03 N ATOM 715 CA PHE A 86 -19.300 18.909 -13.729 1.00 31.12 C ATOM 716 C PHE A 86 -20.283 19.608 -14.667 1.00 34.92 C ATOM 717 O PHE A 86 -21.163 20.340 -14.217 1.00 37.78 O ATOM 718 CB PHE A 86 -18.214 19.905 -13.306 1.00 28.80 C ATOM 719 CG PHE A 86 -17.575 19.594 -11.979 1.00 27.49 C ATOM 720 CD1 PHE A 86 -16.564 20.403 -11.485 1.00 26.19 C ATOM 721 CD2 PHE A 86 -17.977 18.498 -11.231 1.00 28.17 C ATOM 722 CE1 PHE A 86 -15.966 20.133 -10.257 1.00 26.21 C ATOM 723 CE2 PHE A 86 -17.385 18.219 -10.010 1.00 27.46 C ATOM 724 CZ PHE A 86 -16.376 19.033 -9.522 1.00 26.78 C ATOM 725 H PHE A 86 -17.792 17.794 -14.812 1.00 0.00 H ATOM 726 N GLY A 87 -20.124 19.395 -15.968 1.00 34.25 N ATOM 727 CA GLY A 87 -20.975 20.044 -16.946 1.00 36.40 C ATOM 728 C GLY A 87 -20.605 21.494 -17.207 1.00 37.66 C ATOM 729 O GLY A 87 -21.447 22.284 -17.634 1.00 41.28 O ATOM 730 H GLY A 87 -19.375 18.750 -16.292 1.00 0.00 H ATOM 731 N VAL A 88 -19.349 21.849 -16.945 1.00 36.46 N ATOM 732 CA VAL A 88 -18.857 23.206 -17.185 1.00 35.62 C ATOM 733 C VAL A 88 -17.462 23.191 -17.819 1.00 35.00 C ATOM 734 O VAL A 88 -16.685 22.255 -17.609 1.00 34.66 O ATOM 735 CB VAL A 88 -18.783 24.038 -15.875 1.00 34.42 C ATOM 736 CG1 VAL A 88 -20.155 24.170 -15.227 1.00 34.11 C ATOM 737 CG2 VAL A 88 -17.791 23.422 -14.918 1.00 32.03 C ATOM 738 H VAL A 88 -18.696 21.139 -16.557 1.00 0.00 H ATOM 739 N PRO A 89 -17.130 24.240 -18.587 1.00 35.59 N ATOM 740 CA PRO A 89 -15.803 24.335 -19.208 1.00 37.37 C ATOM 741 C PRO A 89 -14.737 24.794 -18.219 1.00 37.71 C ATOM 742 O PRO A 89 -13.547 24.526 -18.402 1.00 36.92 O ATOM 743 CB PRO A 89 -16.007 25.397 -20.289 1.00 39.83 C ATOM 744 CG PRO A 89 -17.105 26.256 -19.761 1.00 40.93 C ATOM 745 CD PRO A 89 -18.022 25.333 -19.013 1.00 38.72 C ATOM 746 N SER A 90 -15.177 25.473 -17.165 1.00 36.05 N ATOM 747 CA SER A 90 -14.271 26.047 -16.187 1.00 36.06 C ATOM 748 C SER A 90 -15.053 26.393 -14.936 1.00 32.22 C ATOM 749 O SER A 90 -16.278 26.505 -14.970 1.00 31.87 O ATOM 750 CB SER A 90 -13.617 27.313 -16.747 1.00 38.44 C ATOM 751 OG SER A 90 -14.588 28.322 -16.966 1.00 40.81 O ATOM 752 HG SER A 90 -15.032 28.542 -16.109 1.00 0.00 H ATOM 753 H SER A 90 -16.202 25.597 -17.037 1.00 0.00 H ATOM 754 N PHE A 91 -14.343 26.555 -13.827 1.00 31.17 N ATOM 755 CA PHE A 91 -14.963 26.975 -12.582 1.00 30.11 C ATOM 756 C PHE A 91 -13.911 27.605 -11.692 1.00 28.83 C ATOM 757 O PHE A 91 -12.714 27.367 -11.863 1.00 27.53 O ATOM 758 CB PHE A 91 -15.642 25.801 -11.867 1.00 25.93 C ATOM 759 CG PHE A 91 -14.698 24.706 -11.441 1.00 24.29 C ATOM 760 CD1 PHE A 91 -14.160 24.688 -10.162 1.00 23.50 C ATOM 761 CD2 PHE A 91 -14.366 23.682 -12.319 1.00 25.41 C ATOM 762 CE1 PHE A 91 -13.297 23.676 -9.767 1.00 22.91 C ATOM 763 CE2 PHE A 91 -13.509 22.669 -11.936 1.00 25.16 C ATOM 764 CZ PHE A 91 -12.971 22.665 -10.659 1.00 23.38 C ATOM 765 H PHE A 91 -13.319 26.377 -13.849 1.00 0.00 H ATOM 766 N SER A 92 -14.366 28.413 -10.742 1.00 28.25 N ATOM 767 CA SER A 92 -13.468 29.043 -9.788 1.00 27.64 C ATOM 768 C SER A 92 -13.235 28.113 -8.609 1.00 26.80 C ATOM 769 O SER A 92 -14.182 27.552 -8.063 1.00 26.35 O ATOM 770 CB SER A 92 -14.063 30.361 -9.295 1.00 28.84 C ATOM 771 OG SER A 92 -13.369 30.831 -8.151 1.00 27.08 O ATOM 772 HG SER A 92 -13.771 31.684 -7.850 1.00 0.00 H ATOM 773 H SER A 92 -15.387 28.599 -10.679 1.00 0.00 H ATOM 774 N VAL A 93 -11.978 27.959 -8.203 1.00 26.32 N ATOM 775 CA VAL A 93 -11.670 27.119 -7.051 1.00 23.20 C ATOM 776 C VAL A 93 -12.113 27.773 -5.746 1.00 24.06 C ATOM 777 O VAL A 93 -12.104 27.131 -4.701 1.00 25.22 O ATOM 778 CB VAL A 93 -10.168 26.763 -6.960 1.00 23.92 C ATOM 779 CG1 VAL A 93 -9.764 25.888 -8.135 1.00 26.12 C ATOM 780 CG2 VAL A 93 -9.315 28.020 -6.910 1.00 27.90 C ATOM 781 H VAL A 93 -11.209 28.441 -8.711 1.00 0.00 H ATOM 782 N LYS A 94 -12.509 29.041 -5.817 1.00 23.40 N ATOM 783 CA LYS A 94 -12.915 29.786 -4.622 1.00 25.09 C ATOM 784 C LYS A 94 -14.410 29.706 -4.329 1.00 25.39 C ATOM 785 O LYS A 94 -14.857 30.121 -3.260 1.00 25.20 O ATOM 786 CB LYS A 94 -12.606 31.264 -4.789 1.00 29.87 C ATOM 787 CG LYS A 94 -11.187 31.668 -4.727 1.00 32.44 C ATOM 788 CD LYS A 94 -11.176 33.130 -4.392 1.00 38.82 C ATOM 789 CE LYS A 94 -9.792 33.621 -4.277 1.00 43.90 C ATOM 790 NZ LYS A 94 -9.156 33.854 -5.605 1.00 47.37 N ATOM 791 HZ1 LYS A 94 -9.136 32.962 -6.140 1.00 0.00 H ATOM 792 HZ2 LYS A 94 -9.705 34.563 -6.131 1.00 0.00 H ATOM 793 HZ3 LYS A 94 -8.184 34.198 -5.467 1.00 0.00 H ATOM 794 H LYS A 94 -12.531 29.515 -6.742 1.00 0.00 H ATOM 795 N GLU A 95 -15.188 29.232 -5.296 1.00 24.32 N ATOM 796 CA GLU A 95 -16.642 29.149 -5.163 1.00 23.73 C ATOM 797 C GLU A 95 -17.047 27.784 -4.631 1.00 21.28 C ATOM 798 O GLU A 95 -17.492 26.925 -5.387 1.00 22.79 O ATOM 799 CB GLU A 95 -17.317 29.395 -6.517 1.00 25.47 C ATOM 800 CG GLU A 95 -17.095 30.786 -7.083 1.00 28.47 C ATOM 801 CD GLU A 95 -17.864 31.857 -6.330 1.00 30.54 C ATOM 802 OE1 GLU A 95 -18.827 31.513 -5.611 1.00 30.27 O ATOM 803 OE2 GLU A 95 -17.508 33.048 -6.461 1.00 33.39 O ATOM 804 H GLU A 95 -14.747 28.908 -6.180 1.00 0.00 H ATOM 805 N HIS A 96 -16.892 27.588 -3.325 1.00 19.32 N ATOM 806 CA HIS A 96 -17.029 26.264 -2.741 1.00 18.86 C ATOM 807 C HIS A 96 -18.447 25.686 -2.749 1.00 19.08 C ATOM 808 O HIS A 96 -18.620 24.481 -2.953 1.00 19.59 O ATOM 809 CB HIS A 96 -16.397 26.236 -1.343 1.00 19.08 C ATOM 810 CG HIS A 96 -14.940 26.599 -1.335 1.00 20.47 C ATOM 811 ND1 HIS A 96 -14.212 26.744 -0.176 1.00 21.89 N ATOM 812 CD2 HIS A 96 -14.078 26.845 -2.353 1.00 22.45 C ATOM 813 CE1 HIS A 96 -12.963 27.061 -0.477 1.00 23.70 C ATOM 814 NE2 HIS A 96 -12.856 27.127 -1.791 1.00 24.48 N ATOM 815 H HIS A 96 -16.669 28.397 -2.710 1.00 0.00 H ATOM 816 N ARG A 97 -19.457 26.528 -2.545 1.00 20.22 N ATOM 817 CA ARG A 97 -20.835 26.049 -2.636 1.00 20.03 C ATOM 818 C ARG A 97 -21.147 25.553 -4.050 1.00 22.33 C ATOM 819 O ARG A 97 -21.775 24.508 -4.216 1.00 21.83 O ATOM 820 CB ARG A 97 -21.837 27.118 -2.179 1.00 21.73 C ATOM 821 CG ARG A 97 -23.300 26.772 -2.453 1.00 22.15 C ATOM 822 CD ARG A 97 -23.713 25.452 -1.822 1.00 20.90 C ATOM 823 NE ARG A 97 -23.571 25.485 -0.370 1.00 20.82 N ATOM 824 CZ ARG A 97 -23.577 24.404 0.401 1.00 19.40 C ATOM 825 NH1 ARG A 97 -23.720 23.197 -0.135 1.00 19.94 N ATOM 826 NH2 ARG A 97 -23.432 24.529 1.712 1.00 22.19 N ATOM 827 HE ARG A 97 -23.458 26.412 0.089 1.00 0.00 H ATOM 828 HH12 ARG A 97 -23.724 22.354 0.475 1.00 0.00 H ATOM 829 HH11 ARG A 97 -23.828 23.095 -1.164 1.00 0.00 H ATOM 830 HH22 ARG A 97 -23.436 23.684 2.319 1.00 0.00 H ATOM 831 HH21 ARG A 97 -23.314 25.472 2.135 1.00 0.00 H ATOM 832 H ARG A 97 -19.266 27.526 -2.321 1.00 0.00 H ATOM 833 N LYS A 98 -20.686 26.283 -5.060 1.00 23.04 N ATOM 834 CA LYS A 98 -20.888 25.852 -6.444 1.00 23.24 C ATOM 835 C LYS A 98 -20.211 24.506 -6.711 1.00 21.54 C ATOM 836 O LYS A 98 -20.762 23.653 -7.414 1.00 23.10 O ATOM 837 CB LYS A 98 -20.390 26.909 -7.441 1.00 25.81 C ATOM 838 CG LYS A 98 -21.139 28.227 -7.383 1.00 30.37 C ATOM 839 CD LYS A 98 -20.883 29.076 -8.623 1.00 36.72 C ATOM 840 CE LYS A 98 -21.288 30.523 -8.383 1.00 43.31 C ATOM 841 NZ LYS A 98 -22.488 30.614 -7.505 1.00 46.29 N ATOM 842 HZ1 LYS A 98 -23.284 30.119 -7.955 1.00 0.00 H ATOM 843 HZ2 LYS A 98 -22.278 30.173 -6.587 1.00 0.00 H ATOM 844 HZ3 LYS A 98 -22.737 31.614 -7.362 1.00 0.00 H ATOM 845 H LYS A 98 -20.177 27.169 -4.865 1.00 0.00 H ATOM 846 N ILE A 99 -19.020 24.319 -6.151 1.00 19.26 N ATOM 847 CA ILE A 99 -18.285 23.071 -6.318 1.00 19.20 C ATOM 848 C ILE A 99 -19.030 21.915 -5.646 1.00 19.47 C ATOM 849 O ILE A 99 -19.192 20.843 -6.231 1.00 20.89 O ATOM 850 CB ILE A 99 -16.835 23.194 -5.794 1.00 19.89 C ATOM 851 CG1 ILE A 99 -16.047 24.186 -6.662 1.00 22.28 C ATOM 852 CG2 ILE A 99 -16.152 21.828 -5.734 1.00 20.48 C ATOM 853 CD1 ILE A 99 -14.709 24.625 -6.064 1.00 21.64 C ATOM 854 H ILE A 99 -18.602 25.081 -5.580 1.00 0.00 H ATOM 855 N TYR A 100 -19.490 22.136 -4.415 1.00 19.64 N ATOM 856 CA TYR A 100 -20.287 21.128 -3.728 1.00 19.54 C ATOM 857 C TYR A 100 -21.531 20.723 -4.523 1.00 20.38 C ATOM 858 O TYR A 100 -21.820 19.531 -4.685 1.00 21.53 O ATOM 859 CB TYR A 100 -20.652 21.596 -2.312 1.00 18.80 C ATOM 860 CG TYR A 100 -19.734 20.990 -1.274 1.00 19.18 C ATOM 861 CD1 TYR A 100 -18.375 21.281 -1.273 1.00 19.49 C ATOM 862 CD2 TYR A 100 -20.215 20.092 -0.327 1.00 21.09 C ATOM 863 CE1 TYR A 100 -17.516 20.710 -0.348 1.00 19.00 C ATOM 864 CE2 TYR A 100 -19.363 19.519 0.616 1.00 18.82 C ATOM 865 CZ TYR A 100 -18.015 19.828 0.593 1.00 19.02 C ATOM 866 OH TYR A 100 -17.164 19.256 1.512 1.00 19.40 O ATOM 867 HH TYR A 100 -16.243 19.583 1.355 1.00 0.00 H ATOM 868 H TYR A 100 -19.278 23.037 -3.940 1.00 0.00 H ATOM 869 N THR A 101 -22.251 21.713 -5.038 1.00 21.89 N ATOM 870 CA THR A 101 -23.439 21.451 -5.850 1.00 23.12 C ATOM 871 C THR A 101 -23.118 20.561 -7.049 1.00 23.74 C ATOM 872 O THR A 101 -23.842 19.601 -7.327 1.00 23.63 O ATOM 873 CB THR A 101 -24.092 22.759 -6.337 1.00 24.54 C ATOM 874 OG1 THR A 101 -24.448 23.561 -5.204 1.00 24.32 O ATOM 875 CG2 THR A 101 -25.342 22.473 -7.158 1.00 24.99 C ATOM 876 HG1 THR A 101 -23.634 23.771 -4.681 1.00 0.00 H ATOM 877 H THR A 101 -21.964 22.697 -4.860 1.00 0.00 H ATOM 878 N MET A 102 -22.026 20.872 -7.745 1.00 22.19 N ATOM 879 CA MET A 102 -21.623 20.094 -8.916 1.00 24.01 C ATOM 880 C MET A 102 -21.258 18.652 -8.550 1.00 22.11 C ATOM 881 O MET A 102 -21.585 17.717 -9.282 1.00 24.25 O ATOM 882 CB MET A 102 -20.474 20.788 -9.659 1.00 24.92 C ATOM 883 CG MET A 102 -20.860 22.141 -10.257 1.00 29.36 C ATOM 884 SD MET A 102 -19.623 22.867 -11.364 1.00 28.06 S ATOM 885 CE MET A 102 -18.370 23.396 -10.194 1.00 30.20 C ATOM 886 H MET A 102 -21.448 21.685 -7.450 1.00 0.00 H ATOM 887 N ILE A 103 -20.602 18.472 -7.407 1.00 19.14 N ATOM 888 CA ILE A 103 -20.218 17.139 -6.953 1.00 20.55 C ATOM 889 C ILE A 103 -21.440 16.290 -6.567 1.00 20.50 C ATOM 890 O ILE A 103 -21.512 15.106 -6.905 1.00 19.74 O ATOM 891 CB ILE A 103 -19.202 17.225 -5.793 1.00 19.94 C ATOM 892 CG1 ILE A 103 -17.881 17.827 -6.295 1.00 19.56 C ATOM 893 CG2 ILE A 103 -18.965 15.851 -5.157 1.00 18.32 C ATOM 894 CD1 ILE A 103 -16.916 18.217 -5.178 1.00 19.47 C ATOM 895 H ILE A 103 -20.358 19.298 -6.825 1.00 0.00 H ATOM 896 N TYR A 104 -22.404 16.909 -5.886 1.00 20.87 N ATOM 897 CA TYR A 104 -23.613 16.217 -5.421 1.00 23.07 C ATOM 898 C TYR A 104 -24.421 15.579 -6.549 1.00 24.66 C ATOM 899 O TYR A 104 -25.097 14.565 -6.355 1.00 23.77 O ATOM 900 CB TYR A 104 -24.516 17.183 -4.645 1.00 22.06 C ATOM 901 CG TYR A 104 -24.115 17.455 -3.210 1.00 21.36 C ATOM 902 CD1 TYR A 104 -23.662 16.434 -2.377 1.00 20.35 C ATOM 903 CD2 TYR A 104 -24.208 18.735 -2.687 1.00 19.14 C ATOM 904 CE1 TYR A 104 -23.313 16.690 -1.060 1.00 18.97 C ATOM 905 CE2 TYR A 104 -23.860 19.001 -1.376 1.00 18.79 C ATOM 906 CZ TYR A 104 -23.407 17.979 -0.575 1.00 19.83 C ATOM 907 OH TYR A 104 -23.065 18.267 0.731 1.00 20.31 O ATOM 908 HH TYR A 104 -23.855 18.629 1.205 1.00 0.00 H ATOM 909 H TYR A 104 -22.296 17.922 -5.676 1.00 0.00 H ATOM 910 N ARG A 105 -24.355 16.174 -7.732 1.00 24.20 N ATOM 911 CA ARG A 105 -25.096 15.652 -8.869 1.00 25.59 C ATOM 912 C ARG A 105 -24.505 14.330 -9.352 1.00 25.58 C ATOM 913 O ARG A 105 -25.122 13.617 -10.152 1.00 25.82 O ATOM 914 CB ARG A 105 -25.134 16.687 -9.995 1.00 28.97 C ATOM 915 CG ARG A 105 -25.908 17.940 -9.619 1.00 31.44 C ATOM 916 CD ARG A 105 -25.908 18.981 -10.721 1.00 34.95 C ATOM 917 NE ARG A 105 -26.738 20.128 -10.359 1.00 37.57 N ATOM 918 CZ ARG A 105 -26.355 21.396 -10.465 1.00 39.52 C ATOM 919 NH1 ARG A 105 -25.149 21.692 -10.932 1.00 40.28 N ATOM 920 NH2 ARG A 105 -27.181 22.371 -10.109 1.00 40.73 N ATOM 921 HE ARG A 105 -27.693 19.939 -9.994 1.00 0.00 H ATOM 922 HH12 ARG A 105 -24.852 22.685 -11.014 1.00 0.00 H ATOM 923 HH11 ARG A 105 -24.500 20.931 -11.216 1.00 0.00 H ATOM 924 HH22 ARG A 105 -26.881 23.363 -10.192 1.00 0.00 H ATOM 925 HH21 ARG A 105 -28.129 22.143 -9.747 1.00 0.00 H ATOM 926 H ARG A 105 -23.767 17.024 -7.848 1.00 0.00 H ATOM 927 N ASN A 106 -23.318 13.998 -8.850 1.00 23.50 N ATOM 928 CA ASN A 106 -22.581 12.840 -9.343 1.00 25.87 C ATOM 929 C ASN A 106 -22.388 11.748 -8.304 1.00 25.78 C ATOM 930 O ASN A 106 -21.429 10.981 -8.366 1.00 25.68 O ATOM 931 CB ASN A 106 -21.223 13.270 -9.891 1.00 25.42 C ATOM 932 CG ASN A 106 -21.339 14.012 -11.197 1.00 26.08 C ATOM 933 OD1 ASN A 106 -21.571 13.407 -12.243 1.00 27.46 O ATOM 934 ND2 ASN A 106 -21.177 15.329 -11.149 1.00 26.54 N ATOM 935 HD22 ASN A 106 -20.982 15.796 -10.240 1.00 0.00 H ATOM 936 HD21 ASN A 106 -21.245 15.893 -12.020 1.00 0.00 H ATOM 937 H ASN A 106 -22.907 14.577 -8.090 1.00 0.00 H ATOM 938 N LEU A 107 -23.305 11.679 -7.350 1.00 24.68 N ATOM 939 CA LEU A 107 -23.209 10.683 -6.302 1.00 22.91 C ATOM 940 C LEU A 107 -24.581 10.393 -5.716 1.00 22.40 C ATOM 941 O LEU A 107 -25.568 11.061 -6.043 1.00 23.54 O ATOM 942 CB LEU A 107 -22.242 11.162 -5.209 1.00 21.17 C ATOM 943 CG LEU A 107 -22.497 12.539 -4.580 1.00 22.96 C ATOM 944 CD1 LEU A 107 -23.619 12.507 -3.544 1.00 24.70 C ATOM 945 CD2 LEU A 107 -21.221 13.100 -3.958 1.00 21.80 C ATOM 946 H LEU A 107 -24.102 12.347 -7.353 1.00 0.00 H ATOM 947 N VAL A 108 -24.630 9.393 -4.845 1.00 22.34 N ATOM 948 CA VAL A 108 -25.814 9.117 -4.048 1.00 21.59 C ATOM 949 C VAL A 108 -25.470 9.391 -2.593 1.00 23.00 C ATOM 950 O VAL A 108 -24.464 8.889 -2.082 1.00 23.02 O ATOM 951 CB VAL A 108 -26.263 7.658 -4.205 1.00 23.51 C ATOM 952 CG1 VAL A 108 -27.412 7.345 -3.270 1.00 26.06 C ATOM 953 CG2 VAL A 108 -26.675 7.397 -5.640 1.00 23.68 C ATOM 954 H VAL A 108 -23.793 8.786 -4.729 1.00 0.00 H ATOM 955 N VAL A 109 -26.282 10.212 -1.933 1.00 22.00 N ATOM 956 CA VAL A 109 -26.069 10.479 -0.520 1.00 22.98 C ATOM 957 C VAL A 109 -26.602 9.316 0.299 1.00 26.06 C ATOM 958 O VAL A 109 -27.764 8.932 0.166 1.00 26.20 O ATOM 959 CB VAL A 109 -26.745 11.786 -0.067 1.00 22.36 C ATOM 960 CG1 VAL A 109 -26.564 11.975 1.442 1.00 22.30 C ATOM 961 CG2 VAL A 109 -26.167 12.970 -0.830 1.00 23.15 C ATOM 962 H VAL A 109 -27.074 10.666 -2.431 1.00 0.00 H ATOM 963 N VAL A 110 -25.739 8.747 1.136 1.00 31.46 N ATOM 964 CA VAL A 110 -26.118 7.624 1.980 1.00 23.22 C ATOM 965 C VAL A 110 -27.118 8.074 3.039 1.00 27.95 C ATOM 966 O VAL A 110 -26.926 9.113 3.678 1.00 29.56 O ATOM 967 CB VAL A 110 -24.889 7.019 2.684 1.00 26.08 C ATOM 968 CG1 VAL A 110 -25.298 5.842 3.567 1.00 29.26 C ATOM 969 CG2 VAL A 110 -23.845 6.597 1.662 1.00 27.57 C ATOM 970 OXT VAL A 110 -28.131 7.415 3.279 1.00 28.87 O ATOM 971 H VAL A 110 -24.768 9.115 1.189 1.00 0.00 H TER 972 VAL A 110 HETATM 973 O HOH 1 -14.614 20.126 1.928 1.00 19.15 O HETATM 974 O HOH 2 -5.934 17.566 -2.733 1.00 22.95 O HETATM 975 O HOH 3 -25.160 15.401 5.993 1.00 24.66 O HETATM 976 O HOH 4 -18.855 12.345 -23.205 1.00 22.53 O HETATM 977 O HOH 5 -24.949 22.289 -2.639 1.00 24.85 O HETATM 978 O HOH 6 -20.020 29.383 -4.312 1.00 28.52 O HETATM 979 O HOH 7 1.276 17.302 -10.972 1.00 23.22 O HETATM 980 O HOH 8 -19.423 29.270 -1.428 1.00 28.17 O HETATM 981 O HOH 9 -19.653 4.359 -5.208 1.00 28.28 O HETATM 982 O HOH 10 0.094 30.267 -18.976 1.00 28.22 O HETATM 983 O HOH 11 -23.646 28.173 0.751 1.00 30.24 O HETATM 984 O HOH 12 -22.496 27.170 2.932 1.00 26.35 O HETATM 985 O HOH 13 -16.107 3.488 -11.806 1.00 28.92 O HETATM 986 O HOH 14 -17.093 25.416 8.214 1.00 27.69 O HETATM 987 O HOH 15 -17.463 28.991 -10.490 1.00 40.98 O HETATM 988 O HOH 16 -19.300 10.852 8.513 1.00 28.10 O HETATM 989 O HOH 17 -24.664 17.766 12.223 1.00 30.68 O HETATM 990 O HOH 18 -28.541 11.442 -3.450 1.00 27.92 O HETATM 991 O HOH 19 -23.766 5.311 -6.383 1.00 32.29 O HETATM 992 O HOH 20 -3.803 26.019 -4.739 1.00 28.46 O HETATM 993 O HOH 21 -14.526 23.849 8.609 1.00 33.71 O HETATM 994 O HOH 22 -21.232 14.697 -22.422 1.00 36.24 O HETATM 995 O HOH 23 -3.894 10.698 -3.479 1.00 38.09 O HETATM 996 O HOH 24 -29.199 6.531 -0.519 1.00 37.75 O HETATM 997 O HOH 25 -21.526 17.156 -19.077 1.00 51.05 O HETATM 998 O HOH 26 -18.032 18.353 -21.466 1.00 38.73 O HETATM 999 O HOH 27 -26.858 19.369 -6.248 1.00 31.63 O HETATM 1000 O HOH 28 -13.870 2.900 -10.419 1.00 32.68 O HETATM 1001 O HOH 29 -11.397 2.433 -11.566 1.00 35.57 O HETATM 1002 O HOH 30 -3.200 9.915 -1.149 1.00 35.26 O HETATM 1003 O HOH 31 -11.065 14.886 -24.062 1.00 29.19 O HETATM 1004 O HOH 32 -12.922 11.196 6.404 1.00 39.19 O HETATM 1005 O HOH 33 -28.826 4.936 2.346 1.00 34.94 O HETATM 1006 O HOH 34 -28.568 10.689 5.032 1.00 33.67 O HETATM 1007 O HOH 35 -6.843 3.001 -6.331 1.00 37.93 O HETATM 1008 O HOH 36 -14.657 0.484 -8.974 1.00 38.42 O HETATM 1009 O HOH 37 -17.380 8.678 8.648 1.00 41.44 O HETATM 1010 O HOH 38 -9.415 4.639 -11.860 1.00 43.45 O HETATM 1011 O HOH 39 -9.492 5.100 0.115 1.00 43.56 O HETATM 1012 O HOH 40 -21.490 29.890 0.009 1.00 39.84 O HETATM 1013 O HOH 41 -11.535 20.415 9.443 1.00 38.95 O HETATM 1014 O HOH 42 -22.849 24.820 -9.088 1.00 33.08 O HETATM 1015 O HOH 43 -7.109 30.384 -17.385 1.00 41.22 O HETATM 1016 O HOH 44 -4.873 26.654 -14.170 1.00 36.05 O HETATM 1017 O HOH 45 -30.194 9.891 -1.288 1.00 44.08 O HETATM 1018 O HOH 46 -16.953 32.322 -2.253 1.00 40.91 O HETATM 1019 O HOH 47 -15.764 31.666 4.730 1.00 45.05 O HETATM 1020 O HOH 48 -25.968 3.756 -1.755 1.00 51.74 O HETATM 1021 O HOH 49 -8.007 12.596 6.600 1.00 44.53 O HETATM 1022 O HOH 50 -22.599 18.501 -11.855 1.00 36.09 O HETATM 1023 O HOH 51 1.162 14.542 -14.019 1.00 44.55 O HETATM 1024 O HOH 52 -2.800 9.172 -11.604 1.00 44.93 O HETATM 1025 O HOH 53 -6.825 16.489 -19.387 1.00 37.59 O HETATM 1026 O HOH 54 -16.889 0.052 -9.247 1.00 44.20 O HETATM 1027 O HOH 55 -25.473 3.743 -4.688 1.00 52.07 O HETATM 1028 O HOH 56 -23.614 17.037 -13.606 1.00 44.83 O HETATM 1029 O HOH 57 -6.989 24.182 1.131 1.00 52.78 O HETATM 1030 O HOH 58 -21.160 30.358 5.383 1.00 50.82 O HETATM 1031 O HOH 59 -19.586 27.350 -11.709 1.00 52.94 O HETATM 1032 O HOH 60 -8.575 35.642 -8.345 1.00 52.31 O HETATM 1033 O HOH 61 -5.086 10.284 -12.426 1.00 42.88 O HETATM 1034 O HOH 62 -13.678 33.617 -8.061 1.00 47.74 O HETATM 1035 O HOH 63 -30.021 9.894 -5.879 1.00 55.74 O HETATM 1036 O HOH 64 -20.298 30.574 2.311 1.00 44.51 O HETATM 1037 O HOH 65 -7.614 19.201 -20.340 1.00 41.22 O HETATM 1038 O HOH 66 -5.117 15.977 3.641 1.00 43.60 O HETATM 1039 O HOH 67 -9.753 20.999 -20.165 1.00 42.27 O HETATM 1040 O HOH 68 -7.865 10.706 -16.545 1.00 45.68 O HETATM 1041 O HOH 69 -14.434 20.912 9.295 1.00 42.92 O HETATM 1042 O HOH 70 4.326 21.367 -12.022 1.00 53.50 O HETATM 1043 O HOH 71 -17.606 28.332 8.891 1.00 50.08 O HETATM 1044 O HOH 72 -21.538 26.363 -11.055 1.00 46.93 O HETATM 1045 O HOH 73 -7.699 4.527 -13.921 1.00 55.71 O HETATM 1046 O HOH 74 -28.010 18.924 -3.714 1.00 41.79 O HETATM 1047 O HOH 75 -27.129 14.183 -4.262 1.00 36.80 O HETATM 1048 O HOH 76 1.529 30.132 -10.328 1.00 46.82 O HETATM 1049 O HOH 77 -20.524 27.888 6.593 1.00 51.65 O HETATM 1050 O HOH 78 -9.006 35.436 -12.127 1.00 45.06 O HETATM 1051 O HOH 79 -15.430 30.199 -14.657 1.00 54.59 O HETATM 1052 O HOH 80 -5.047 23.659 2.872 1.00 50.80 O HETATM 1053 O HOH 81 -14.711 7.516 4.811 1.00 53.71 O HETATM 1054 O HOH 82 -24.847 26.551 -5.873 1.00 41.10 O HETATM 1055 O HOH 83 -20.955 15.920 11.407 1.00 40.49 O HETATM 1056 O HOH 84 2.307 25.529 -11.529 1.00 48.10 O HETATM 1057 O HOH 85 -17.476 24.506 12.679 1.00 44.31 O HETATM 1058 O HOH 86 -6.955 28.385 -15.942 1.00 57.53 O HETATM 1059 O HOH 87 -1.887 11.913 -4.717 1.00 30.76 O HETATM 1060 O HOH 88 -15.620 18.607 8.663 1.00 32.13 O HETATM 1061 O HOH 89 -15.041 2.020 -13.762 1.00 42.48 O HETATM 1062 O HOH 90 -3.865 18.016 -0.760 1.00 48.05 O HETATM 1063 O HOH 91 -20.390 1.876 -5.790 1.00 58.11 O HETATM 1064 O HOH 92 -0.953 14.755 -16.686 1.00 50.56 O HETATM 1065 O HOH 93 -4.087 10.566 1.945 1.00 34.64 O HETATM 1066 O HOH 94 -28.688 20.749 -8.121 1.00 34.73 O HETATM 1067 O HOH 95 -16.701 1.435 0.966 1.00 38.77 O HETATM 1068 O HOH 96 -10.010 10.988 6.023 1.00 49.14 O HETATM 1069 O HOH 97 -11.509 12.641 10.094 1.00 56.00 O HETATM 1070 O HOH 98 -6.729 14.071 -21.649 1.00 53.24 O HETATM 1071 C11 UNN A 99 -12.540 23.753 -2.407 1.00 -0.04 C HETATM 1072 C10 UNN A 99 -13.544 23.171 -1.629 1.00 0.03 C HETATM 1073 CL1 UNN A 99 -15.165 23.072 -2.248 1.00 -0.07 CL HETATM 1074 C9 UNN A 99 -13.256 22.674 -0.358 1.00 -0.05 C HETATM 1075 C8 UNN A 99 -11.957 22.759 0.135 1.00 -0.07 C HETATM 1076 C7 UNN A 99 -10.957 23.339 -0.649 1.00 -0.06 C HETATM 1077 C6 UNN A 99 -11.236 23.839 -1.921 1.00 -0.01 C HETATM 1078 C2 UNN A 99 -10.113 24.478 -2.768 1.00 0.12 C HETATM 1079 O1 UNN A 99 -9.282 25.354 -1.983 1.00 -0.35 O HETATM 1080 C3 UNN A 99 -8.299 26.012 -2.799 1.00 0.16 C HETATM 1081 C22 UNN A 99 -8.734 27.259 -3.574 1.00 0.03 C HETATM 1082 C24 UNN A 99 -9.158 28.497 -2.755 1.00 0.03 C HETATM 1083 C25 UNN A 99 -8.273 29.574 -2.733 1.00 -0.03 C HETATM 1084 C26 UNN A 99 -8.590 30.723 -2.025 1.00 -0.03 C HETATM 1085 C27 UNN A 99 -9.809 30.772 -1.370 1.00 0.03 C HETATM 1086 C29 UNN A 99 -10.185 32.035 -0.595 1.00 0.07 C HETATM 1087 O4 UNN A 99 -11.314 32.078 -0.057 1.00 -0.56 O HETATM 1088 O3 UNN A 99 -9.356 32.973 -0.589 1.00 -0.56 O HETATM 1089 C28 UNN A 99 -10.668 29.675 -1.432 1.00 0.02 C HETATM 1090 N2 UNN A 99 -10.336 28.582 -2.116 1.00 -0.29 N HETATM 1091 H UNN A 99 -11.620 29.713 -0.915 1.00 0.08 H HETATM 1092 H UNN A 99 -7.902 31.560 -1.985 1.00 0.08 H HETATM 1093 H UNN A 99 -7.334 29.513 -3.271 1.00 0.07 H HETATM 1094 H UNN A 99 -9.589 26.973 -4.205 1.00 0.05 H HETATM 1095 H UNN A 99 -7.891 27.560 -4.213 1.00 0.05 H HETATM 1096 C23 UNN A 99 -7.252 26.455 -1.776 1.00 -0.03 C HETATM 1097 H UNN A 99 -6.434 26.980 -2.292 1.00 0.02 H HETATM 1098 H UNN A 99 -6.851 25.573 -1.256 1.00 0.02 H HETATM 1099 H UNN A 99 -7.718 27.131 -1.044 1.00 0.02 H HETATM 1100 C4 UNN A 99 -7.507 25.046 -3.676 1.00 0.24 C HETATM 1101 O2 UNN A 99 -6.436 25.443 -4.134 1.00 -0.34 O HETATM 1102 N1 UNN A 99 -7.965 23.740 -3.932 1.00 -0.25 N HETATM 1103 C17 UNN A 99 -7.061 22.789 -4.652 1.00 0.07 C HETATM 1104 C18 UNN A 99 -6.739 23.073 -6.125 1.00 -0.02 C HETATM 1105 C20 UNN A 99 -6.878 21.862 -7.035 1.00 -0.05 C HETATM 1106 C21 UNN A 99 -7.897 23.012 -7.116 1.00 -0.05 C HETATM 1107 H UNN A 99 -7.909 23.677 -7.992 1.00 0.03 H HETATM 1108 H UNN A 99 -8.925 22.864 -6.754 1.00 0.03 H HETATM 1109 H UNN A 99 -7.177 20.890 -6.616 1.00 0.03 H HETATM 1110 H UNN A 99 -6.161 21.703 -7.854 1.00 0.03 H HETATM 1111 H UNN A 99 -5.926 23.805 -6.236 1.00 0.03 H HETATM 1112 C19 UNN A 99 -5.746 22.567 -3.873 1.00 0.09 C HETATM 1113 S1 UNN A 99 -5.994 21.833 -2.228 1.00 -0.02 S HETATM 1114 O5 UNN A 99 -6.670 20.505 -2.383 1.00 -0.17 O HETATM 1115 O6 UNN A 99 -6.855 22.732 -1.390 1.00 -0.17 O HETATM 1116 C30 UNN A 99 -4.389 21.623 -1.369 1.00 0.08 C HETATM 1117 C32 UNN A 99 -4.648 20.911 -0.047 1.00 -0.04 C HETATM 1118 H UNN A 99 -3.697 20.773 0.488 1.00 0.03 H HETATM 1119 H UNN A 99 -5.104 19.929 -0.242 1.00 0.03 H HETATM 1120 H UNN A 99 -5.330 21.516 0.568 1.00 0.03 H HETATM 1121 C33 UNN A 99 -3.760 22.994 -1.117 1.00 -0.04 C HETATM 1122 H UNN A 99 -2.797 22.866 -0.601 1.00 0.03 H HETATM 1123 H UNN A 99 -4.434 23.597 -0.491 1.00 0.03 H HETATM 1124 H UNN A 99 -3.597 23.505 -2.078 1.00 0.03 H HETATM 1125 C31 UNN A 99 -3.464 20.766 -2.224 1.00 -0.04 C HETATM 1126 H UNN A 99 -2.501 20.640 -1.708 1.00 0.03 H HETATM 1127 H UNN A 99 -3.299 21.259 -3.193 1.00 0.03 H HETATM 1128 H UNN A 99 -3.924 19.780 -2.387 1.00 0.03 H HETATM 1129 H UNN A 99 -5.246 23.539 -3.749 1.00 0.05 H HETATM 1130 H UNN A 99 -5.102 21.896 -4.460 1.00 0.05 H HETATM 1131 H UNN A 99 -7.597 21.828 -4.650 1.00 0.06 H HETATM 1132 C1 UNN A 99 -9.251 23.306 -3.325 1.00 0.11 C HETATM 1133 C5 UNN A 99 -10.115 22.414 -4.240 1.00 -0.01 C HETATM 1134 C12 UNN A 99 -10.764 22.996 -5.325 1.00 -0.06 C HETATM 1135 C13 UNN A 99 -11.566 22.225 -6.158 1.00 -0.05 C HETATM 1136 C14 UNN A 99 -11.730 20.873 -5.891 1.00 0.03 C HETATM 1137 CL2 UNN A 99 -12.736 19.916 -6.926 1.00 -0.08 CL HETATM 1138 C15 UNN A 99 -11.090 20.288 -4.805 1.00 -0.05 C HETATM 1139 C16 UNN A 99 -10.286 21.061 -3.972 1.00 -0.06 C HETATM 1140 H UNN A 99 -9.795 20.609 -3.118 1.00 0.06 H HETATM 1141 H UNN A 99 -11.217 19.230 -4.607 1.00 0.06 H HETATM 1142 H UNN A 99 -12.060 22.677 -7.011 1.00 0.06 H HETATM 1143 H UNN A 99 -10.643 24.055 -5.521 1.00 0.06 H HETATM 1144 H UNN A 99 -8.974 22.686 -2.460 1.00 0.08 H HETATM 1145 H UNN A 99 -10.555 25.049 -3.597 1.00 0.08 H HETATM 1146 H UNN A 99 -9.946 23.402 -0.262 1.00 0.06 H HETATM 1147 H UNN A 99 -11.723 22.377 1.122 1.00 0.06 H HETATM 1148 H UNN A 99 -14.039 22.224 0.242 1.00 0.06 H HETATM 1149 H UNN A 99 -12.776 24.139 -3.392 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1071 1072 1077 1149 CONECT 1072 1071 1073 1074 CONECT 1073 1072 CONECT 1074 1072 1075 1148 CONECT 1075 1074 1076 1147 CONECT 1076 1075 1077 1146 CONECT 1077 1071 1076 1078 CONECT 1078 1077 1079 1132 1145 CONECT 1079 1078 1080 CONECT 1080 1079 1081 1096 1100 CONECT 1081 1080 1082 1094 1095 CONECT 1082 1081 1083 1090 CONECT 1083 1082 1084 1093 CONECT 1084 1083 1085 1092 CONECT 1085 1084 1086 1089 CONECT 1086 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 CONECT 1089 1085 1090 1091 CONECT 1090 1082 1089 CONECT 1091 1089 CONECT 1092 1084 CONECT 1093 1083 CONECT 1094 1081 CONECT 1095 1081 CONECT 1096 1080 1097 1098 1099 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1096 CONECT 1100 1080 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1132 CONECT 1103 1102 1104 1112 1131 CONECT 1104 1103 1105 1106 1111 CONECT 1105 1104 1106 1109 1110 CONECT 1106 1104 1105 1107 1108 CONECT 1107 1106 CONECT 1108 1106 CONECT 1109 1105 CONECT 1110 1105 CONECT 1111 1104 CONECT 1112 1103 1113 1129 1130 CONECT 1113 1112 1114 1115 1116 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1113 1117 1121 1125 CONECT 1117 1116 1118 1119 1120 CONECT 1118 1117 CONECT 1119 1117 CONECT 1120 1117 CONECT 1121 1116 1122 1123 1124 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1121 CONECT 1125 1116 1126 1127 1128 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1125 CONECT 1129 1112 CONECT 1130 1112 CONECT 1131 1103 CONECT 1132 1078 1102 1133 1144 CONECT 1133 1132 1134 1139 CONECT 1134 1133 1135 1143 CONECT 1135 1134 1136 1142 CONECT 1136 1135 1137 1138 CONECT 1137 1136 CONECT 1138 1136 1139 1141 CONECT 1139 1133 1138 1140 CONECT 1140 1139 CONECT 1141 1138 CONECT 1142 1135 CONECT 1143 1134 CONECT 1144 1132 CONECT 1145 1078 CONECT 1146 1076 CONECT 1147 1075 CONECT 1148 1074 CONECT 1149 1071 MASTER 0 0 0 0 0 0 0 0 1148 1 83 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
4ogt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase MDM2
Ligand Name
2U6
EC.Number
E.C.6.3.2
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
IC50=0.1nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 2963-2988
Ligand Properties
Formula
C
3
3
H
3
6
Cl
2
N
2
O
6
S
Molecular Weight
659.620
Exact Mass
658.167
No. of atoms
80
No. of bonds
84
Polar Surface Area
122.25
LOGP Value
6.62 (
Computed with XLOGP3
)
7.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
Clc1cccc(c1)[C@H]1O[C@](C)(Cc2ccc(cn2)C(=O)O)C(=O)N([C@@H]1c1ccc(cc1)Cl)[C@@H](C1CC1)CS(=O)(=O)C(C)(C)C
InChI String
InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1
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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