Browse entries in the PDBbind-CN Database
HEADER 4QO4_COMPLEX COMPND 4QO4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 51 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 51 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 51 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 51 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 1 A 38 HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY ASP LEU SEQRES 2 A 38 PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS ARG LYS SEQRES 3 A 38 ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL VAL HET UNN A 168 67 ATOM 1 N GLN A 18 4.625 0.191 29.914 1.00 31.26 N ATOM 2 CA GLN A 18 5.472 -0.914 29.416 1.00 30.41 C ATOM 3 C GLN A 18 6.176 -0.412 28.163 1.00 28.60 C ATOM 4 O GLN A 18 6.847 0.619 28.216 1.00 27.41 O ATOM 5 CB GLN A 18 4.617 -2.172 29.149 1.00 31.11 C ATOM 6 CG GLN A 18 3.097 -1.935 29.151 1.00 34.85 C ATOM 7 CD GLN A 18 2.290 -3.220 28.971 1.00 36.02 C ATOM 8 OE1 GLN A 18 1.152 -3.344 29.463 1.00 38.14 O ATOM 9 NE2 GLN A 18 2.872 -4.184 28.265 1.00 38.22 N ATOM 10 HE22 GLN A 18 3.824 -4.038 27.872 1.00 0.00 H ATOM 11 HE21 GLN A 18 2.376 -5.084 28.106 1.00 0.00 H ATOM 12 HN3 GLN A 18 3.932 0.451 29.184 1.00 0.00 H ATOM 13 HN2 GLN A 18 5.223 1.013 30.134 1.00 0.00 H ATOM 14 HN1 GLN A 18 4.126 -0.116 30.773 1.00 0.00 H ATOM 15 N ILE A 19 6.028 -1.109 27.043 1.00 27.10 N ATOM 16 CA ILE A 19 6.685 -0.664 25.821 1.00 25.00 C ATOM 17 C ILE A 19 5.703 0.199 25.044 1.00 23.70 C ATOM 18 O ILE A 19 4.593 -0.241 24.723 1.00 23.50 O ATOM 19 CB ILE A 19 7.154 -1.857 24.971 1.00 26.72 C ATOM 20 CG1 ILE A 19 8.089 -2.741 25.801 1.00 27.36 C ATOM 21 CG2 ILE A 19 7.859 -1.346 23.710 1.00 25.57 C ATOM 22 CD1 ILE A 19 8.655 -3.942 25.002 1.00 28.29 C ATOM 23 H ILE A 19 5.445 -1.970 27.038 1.00 0.00 H ATOM 24 N PRO A 20 6.092 1.448 24.747 1.00 20.07 N ATOM 25 CA PRO A 20 5.198 2.342 24.011 1.00 20.25 C ATOM 26 C PRO A 20 5.046 2.006 22.532 1.00 19.76 C ATOM 27 O PRO A 20 5.967 1.536 21.890 1.00 19.46 O ATOM 28 CB PRO A 20 5.826 3.714 24.233 1.00 19.37 C ATOM 29 CG PRO A 20 7.283 3.419 24.329 1.00 20.25 C ATOM 30 CD PRO A 20 7.342 2.129 25.134 1.00 20.77 C ATOM 31 N ALA A 21 3.856 2.267 22.006 1.00 20.35 N ATOM 32 CA ALA A 21 3.578 2.014 20.601 1.00 20.58 C ATOM 33 C ALA A 21 4.505 2.883 19.759 1.00 20.15 C ATOM 34 O ALA A 21 4.847 2.534 18.643 1.00 21.01 O ATOM 35 CB ALA A 21 2.134 2.348 20.284 1.00 22.65 C ATOM 36 H ALA A 21 3.107 2.660 22.611 1.00 0.00 H ATOM 37 N SER A 22 4.916 4.016 20.316 1.00 20.28 N ATOM 38 CA SER A 22 5.789 4.934 19.601 1.00 18.52 C ATOM 39 C SER A 22 7.105 4.309 19.164 1.00 18.20 C ATOM 40 O SER A 22 7.671 4.720 18.166 1.00 18.22 O ATOM 41 CB SER A 22 6.072 6.173 20.458 1.00 21.39 C ATOM 42 OG SER A 22 6.815 5.841 21.618 1.00 19.16 O ATOM 43 HG SER A 22 6.981 6.661 22.148 1.00 0.00 H ATOM 44 H SER A 22 4.608 4.251 21.281 1.00 0.00 H ATOM 45 N GLU A 23 7.588 3.319 19.906 1.00 17.66 N ATOM 46 CA GLU A 23 8.854 2.679 19.551 1.00 19.93 C ATOM 47 C GLU A 23 8.828 2.078 18.143 1.00 20.00 C ATOM 48 O GLU A 23 9.848 2.057 17.461 1.00 20.78 O ATOM 49 CB GLU A 23 9.218 1.605 20.593 1.00 21.85 C ATOM 50 CG GLU A 23 10.373 0.675 20.194 1.00 24.24 C ATOM 51 CD GLU A 23 11.727 1.366 20.083 1.00 26.34 C ATOM 52 OE1 GLU A 23 11.808 2.609 20.223 1.00 26.27 O ATOM 53 OE2 GLU A 23 12.726 0.648 19.842 1.00 29.34 O ATOM 54 H GLU A 23 7.063 2.997 20.744 1.00 0.00 H ATOM 55 N GLN A 24 7.665 1.596 17.706 1.00 21.64 N ATOM 56 CA GLN A 24 7.545 0.998 16.376 1.00 22.04 C ATOM 57 C GLN A 24 7.774 2.009 15.247 1.00 21.77 C ATOM 58 O GLN A 24 7.998 1.634 14.117 1.00 20.01 O ATOM 59 CB GLN A 24 6.158 0.336 16.198 1.00 26.08 C ATOM 60 CG GLN A 24 6.169 -1.216 16.107 1.00 32.02 C ATOM 61 CD GLN A 24 6.334 -1.878 17.452 1.00 34.18 C ATOM 62 OE1 GLN A 24 7.027 -1.384 18.296 1.00 36.47 O ATOM 63 NE2 GLN A 24 5.687 -3.030 17.635 1.00 36.10 N ATOM 64 HE22 GLN A 24 5.096 -3.421 16.874 1.00 0.00 H ATOM 65 HE21 GLN A 24 5.773 -3.537 18.539 1.00 0.00 H ATOM 66 H GLN A 24 6.828 1.646 18.321 1.00 0.00 H ATOM 67 N GLU A 25 7.725 3.300 15.565 1.00 19.73 N ATOM 68 CA GLU A 25 7.914 4.322 14.542 1.00 21.19 C ATOM 69 C GLU A 25 9.364 4.778 14.445 1.00 20.80 C ATOM 70 O GLU A 25 9.720 5.555 13.574 1.00 22.32 O ATOM 71 CB GLU A 25 6.987 5.508 14.838 1.00 21.90 C ATOM 72 CG GLU A 25 5.511 5.124 14.728 1.00 25.01 C ATOM 73 CD GLU A 25 4.636 5.801 15.762 1.00 23.50 C ATOM 74 OE1 GLU A 25 4.775 7.022 15.962 1.00 30.42 O ATOM 75 OE2 GLU A 25 3.795 5.118 16.365 1.00 28.32 O ATOM 76 H GLU A 25 7.551 3.582 16.551 1.00 0.00 H ATOM 77 N THR A 26 10.188 4.278 15.356 1.00 19.85 N ATOM 78 CA THR A 26 11.603 4.622 15.395 1.00 19.66 C ATOM 79 C THR A 26 12.291 4.316 14.063 1.00 19.00 C ATOM 80 O THR A 26 12.124 3.245 13.515 1.00 19.26 O ATOM 81 CB THR A 26 12.305 3.842 16.512 1.00 20.43 C ATOM 82 OG1 THR A 26 11.639 4.097 17.752 1.00 24.45 O ATOM 83 CG2 THR A 26 13.755 4.261 16.632 1.00 21.71 C ATOM 84 HG1 THR A 26 10.695 3.806 17.684 1.00 0.00 H ATOM 85 H THR A 26 9.811 3.618 16.066 1.00 0.00 H ATOM 86 N LEU A 27 13.066 5.273 13.557 1.00 18.90 N ATOM 87 CA LEU A 27 13.787 5.093 12.298 1.00 19.72 C ATOM 88 C LEU A 27 15.189 4.595 12.622 1.00 20.17 C ATOM 89 O LEU A 27 15.848 5.111 13.526 1.00 21.52 O ATOM 90 CB LEU A 27 13.832 6.409 11.524 1.00 20.04 C ATOM 91 CG LEU A 27 12.447 6.960 11.180 1.00 20.98 C ATOM 92 CD1 LEU A 27 12.593 8.274 10.443 1.00 20.36 C ATOM 93 CD2 LEU A 27 11.672 5.953 10.328 1.00 22.47 C ATOM 94 H LEU A 27 13.161 6.172 14.071 1.00 0.00 H ATOM 95 N VAL A 28 15.643 3.586 11.887 1.00 20.14 N ATOM 96 CA VAL A 28 16.936 2.985 12.162 1.00 20.35 C ATOM 97 C VAL A 28 17.723 2.587 10.921 1.00 21.83 C ATOM 98 O VAL A 28 17.159 2.373 9.861 1.00 21.63 O ATOM 99 CB VAL A 28 16.748 1.722 13.013 1.00 19.83 C ATOM 100 CG1 VAL A 28 16.072 2.073 14.334 1.00 20.59 C ATOM 101 CG2 VAL A 28 15.892 0.724 12.247 1.00 19.63 C ATOM 102 H VAL A 28 15.064 3.221 11.104 1.00 0.00 H ATOM 103 N ARG A 29 19.037 2.480 11.093 1.00 23.15 N ATOM 104 CA ARG A 29 19.947 2.096 10.027 1.00 24.43 C ATOM 105 C ARG A 29 20.728 0.890 10.532 1.00 23.60 C ATOM 106 O ARG A 29 21.650 1.022 11.325 1.00 24.21 O ATOM 107 CB ARG A 29 20.892 3.264 9.715 1.00 26.27 C ATOM 108 CG ARG A 29 21.755 3.089 8.488 1.00 30.55 C ATOM 109 CD ARG A 29 22.515 4.384 8.211 1.00 33.17 C ATOM 110 NE ARG A 29 21.592 5.484 7.916 1.00 36.17 N ATOM 111 CZ ARG A 29 21.791 6.749 8.256 1.00 37.86 C ATOM 112 NH1 ARG A 29 22.891 7.074 8.909 1.00 39.57 N ATOM 113 NH2 ARG A 29 20.882 7.679 7.970 1.00 37.79 N ATOM 114 HE ARG A 29 20.717 5.255 7.402 1.00 0.00 H ATOM 115 HH12 ARG A 29 23.060 8.063 9.182 1.00 0.00 H ATOM 116 HH11 ARG A 29 23.588 6.341 9.150 1.00 0.00 H ATOM 117 HH22 ARG A 29 21.048 8.669 8.241 1.00 0.00 H ATOM 118 HH21 ARG A 29 20.006 7.415 7.475 1.00 0.00 H ATOM 119 H ARG A 29 19.432 2.680 12.034 1.00 0.00 H ATOM 120 N PRO A 30 20.347 -0.313 10.088 1.00 23.85 N ATOM 121 CA PRO A 30 21.006 -1.557 10.494 1.00 22.84 C ATOM 122 C PRO A 30 22.491 -1.630 10.146 1.00 24.47 C ATOM 123 O PRO A 30 22.925 -1.139 9.110 1.00 23.88 O ATOM 124 CB PRO A 30 20.201 -2.628 9.761 1.00 24.15 C ATOM 125 CG PRO A 30 18.819 -2.011 9.706 1.00 23.00 C ATOM 126 CD PRO A 30 19.121 -0.590 9.318 1.00 23.37 C ATOM 127 N LYS A 31 23.261 -2.254 11.030 1.00 24.79 N ATOM 128 CA LYS A 31 24.683 -2.445 10.797 1.00 26.25 C ATOM 129 C LYS A 31 24.731 -3.611 9.819 1.00 27.33 C ATOM 130 O LYS A 31 23.805 -4.406 9.760 1.00 26.97 O ATOM 131 CB LYS A 31 25.402 -2.761 12.111 1.00 26.22 C ATOM 132 CG LYS A 31 25.426 -1.550 13.033 1.00 26.72 C ATOM 133 CD LYS A 31 26.032 -1.825 14.397 1.00 28.70 C ATOM 134 CE LYS A 31 25.733 -0.656 15.329 1.00 30.01 C ATOM 135 NZ LYS A 31 26.360 -0.842 16.672 1.00 32.73 N ATOM 136 HZ1 LYS A 31 25.991 -1.711 17.108 1.00 0.00 H ATOM 137 HZ2 LYS A 31 27.392 -0.918 16.564 1.00 0.00 H ATOM 138 HZ3 LYS A 31 26.133 -0.026 17.275 1.00 0.00 H ATOM 139 H LYS A 31 22.837 -2.614 11.909 1.00 0.00 H ATOM 140 N PRO A 32 25.823 -3.741 9.052 1.00 28.79 N ATOM 141 CA PRO A 32 26.048 -4.783 8.041 1.00 29.45 C ATOM 142 C PRO A 32 25.500 -6.195 8.257 1.00 29.72 C ATOM 143 O PRO A 32 24.875 -6.772 7.366 1.00 30.53 O ATOM 144 CB PRO A 32 27.565 -4.784 7.898 1.00 30.59 C ATOM 145 CG PRO A 32 27.901 -3.374 8.081 1.00 29.40 C ATOM 146 CD PRO A 32 27.081 -3.007 9.295 1.00 29.70 C ATOM 147 N LEU A 33 25.748 -6.743 9.438 1.00 29.66 N ATOM 148 CA LEU A 33 25.321 -8.089 9.786 1.00 29.75 C ATOM 149 C LEU A 33 23.812 -8.220 9.892 1.00 28.42 C ATOM 150 O LEU A 33 23.257 -9.198 9.464 1.00 30.02 O ATOM 151 CB LEU A 33 25.943 -8.490 11.114 1.00 31.89 C ATOM 152 CG LEU A 33 25.889 -9.952 11.518 1.00 33.61 C ATOM 153 CD1 LEU A 33 27.112 -10.715 10.979 1.00 35.41 C ATOM 154 CD2 LEU A 33 25.887 -9.988 13.030 1.00 34.33 C ATOM 155 H LEU A 33 26.270 -6.187 10.145 1.00 0.00 H ATOM 156 N LEU A 34 23.165 -7.229 10.493 1.00 25.69 N ATOM 157 CA LEU A 34 21.713 -7.252 10.641 1.00 24.62 C ATOM 158 C LEU A 34 21.088 -7.002 9.285 1.00 23.71 C ATOM 159 O LEU A 34 20.080 -7.621 8.916 1.00 22.93 O ATOM 160 CB LEU A 34 21.230 -6.168 11.610 1.00 24.54 C ATOM 161 CG LEU A 34 19.706 -5.948 11.604 1.00 24.44 C ATOM 162 CD1 LEU A 34 19.012 -7.277 11.865 1.00 23.40 C ATOM 163 CD2 LEU A 34 19.301 -4.914 12.654 1.00 23.87 C ATOM 164 H LEU A 34 23.703 -6.421 10.866 1.00 0.00 H ATOM 165 N LEU A 35 21.701 -6.090 8.540 1.00 24.08 N ATOM 166 CA LEU A 35 21.216 -5.745 7.214 1.00 25.90 C ATOM 167 C LEU A 35 21.249 -7.002 6.347 1.00 27.28 C ATOM 168 O LEU A 35 20.360 -7.230 5.537 1.00 26.79 O ATOM 169 CB LEU A 35 22.096 -4.639 6.608 1.00 27.06 C ATOM 170 CG LEU A 35 21.614 -3.856 5.379 1.00 27.45 C ATOM 171 CD1 LEU A 35 20.237 -3.256 5.623 1.00 28.34 C ATOM 172 CD2 LEU A 35 22.624 -2.749 5.076 1.00 29.42 C ATOM 173 H LEU A 35 22.546 -5.612 8.913 1.00 0.00 H ATOM 174 N LYS A 36 22.272 -7.832 6.532 1.00 28.42 N ATOM 175 CA LYS A 36 22.381 -9.052 5.740 1.00 29.21 C ATOM 176 C LYS A 36 21.229 -10.019 6.068 1.00 28.21 C ATOM 177 O LYS A 36 20.646 -10.660 5.200 1.00 27.89 O ATOM 178 CB LYS A 36 23.733 -9.699 6.019 1.00 31.30 C ATOM 179 CG LYS A 36 23.721 -11.183 6.253 1.00 34.49 C ATOM 180 CD LYS A 36 25.013 -11.593 6.923 1.00 36.74 C ATOM 181 CE LYS A 36 25.814 -12.533 6.043 1.00 38.24 C ATOM 182 NZ LYS A 36 24.939 -13.623 5.512 1.00 39.66 N ATOM 183 HZ1 LYS A 36 24.537 -14.161 6.306 1.00 0.00 H ATOM 184 HZ2 LYS A 36 24.170 -13.206 4.950 1.00 0.00 H ATOM 185 HZ3 LYS A 36 25.503 -14.257 4.912 1.00 0.00 H ATOM 186 H LYS A 36 22.997 -7.610 7.244 1.00 0.00 H ATOM 187 N LEU A 37 20.887 -10.095 7.343 1.00 26.11 N ATOM 188 CA LEU A 37 19.809 -10.964 7.752 1.00 25.57 C ATOM 189 C LEU A 37 18.484 -10.453 7.192 1.00 23.87 C ATOM 190 O LEU A 37 17.667 -11.230 6.719 1.00 23.51 O ATOM 191 CB LEU A 37 19.755 -11.023 9.268 1.00 26.47 C ATOM 192 CG LEU A 37 18.648 -11.926 9.808 1.00 27.23 C ATOM 193 CD1 LEU A 37 18.964 -12.295 11.242 1.00 28.80 C ATOM 194 CD2 LEU A 37 17.283 -11.244 9.735 1.00 29.40 C ATOM 195 H LEU A 37 21.395 -9.528 8.052 1.00 0.00 H ATOM 196 N LEU A 38 18.268 -9.143 7.275 1.00 22.78 N ATOM 197 CA LEU A 38 17.034 -8.545 6.778 1.00 21.83 C ATOM 198 C LEU A 38 16.866 -8.781 5.284 1.00 23.07 C ATOM 199 O LEU A 38 15.778 -9.074 4.813 1.00 22.21 O ATOM 200 CB LEU A 38 17.024 -7.037 7.059 1.00 21.29 C ATOM 201 CG LEU A 38 16.956 -6.637 8.531 1.00 21.15 C ATOM 202 CD1 LEU A 38 17.149 -5.146 8.646 1.00 22.03 C ATOM 203 CD2 LEU A 38 15.624 -7.067 9.141 1.00 22.84 C ATOM 204 H LEU A 38 18.994 -8.533 7.703 1.00 0.00 H ATOM 205 N LYS A 39 17.965 -8.679 4.543 1.00 24.83 N ATOM 206 CA LYS A 39 17.876 -8.856 3.100 1.00 26.56 C ATOM 207 C LYS A 39 17.573 -10.287 2.662 1.00 27.23 C ATOM 208 O LYS A 39 17.120 -10.519 1.550 1.00 25.07 O ATOM 209 CB LYS A 39 19.129 -8.302 2.430 1.00 28.88 C ATOM 210 CG LYS A 39 19.105 -6.782 2.430 1.00 32.36 C ATOM 211 CD LYS A 39 20.071 -6.208 1.424 1.00 33.79 C ATOM 212 CE LYS A 39 20.094 -4.702 1.554 1.00 36.41 C ATOM 213 NZ LYS A 39 18.790 -4.152 1.054 1.00 37.61 N ATOM 214 HZ1 LYS A 39 18.663 -4.418 0.057 1.00 0.00 H ATOM 215 HZ2 LYS A 39 18.010 -4.543 1.620 1.00 0.00 H ATOM 216 HZ3 LYS A 39 18.797 -3.116 1.140 1.00 0.00 H ATOM 217 H LYS A 39 18.881 -8.474 4.990 1.00 0.00 H ATOM 218 N SER A 40 17.755 -11.239 3.574 1.00 28.88 N ATOM 219 CA SER A 40 17.474 -12.639 3.278 1.00 29.85 C ATOM 220 C SER A 40 15.963 -12.903 3.281 1.00 30.60 C ATOM 221 O SER A 40 15.496 -13.899 2.730 1.00 31.60 O ATOM 222 CB SER A 40 18.204 -13.553 4.288 1.00 31.35 C ATOM 223 OG SER A 40 17.739 -13.409 5.625 1.00 32.68 O ATOM 224 HG SER A 40 17.873 -12.474 5.921 1.00 0.00 H ATOM 225 H SER A 40 18.105 -10.979 4.518 1.00 0.00 H ATOM 226 N VAL A 41 15.186 -11.998 3.874 1.00 30.14 N ATOM 227 CA VAL A 41 13.731 -12.173 3.913 1.00 31.15 C ATOM 228 C VAL A 41 13.030 -11.106 3.074 1.00 32.54 C ATOM 229 O VAL A 41 11.829 -10.859 3.232 1.00 33.09 O ATOM 230 CB VAL A 41 13.198 -12.187 5.361 1.00 31.46 C ATOM 231 CG1 VAL A 41 13.751 -13.410 6.085 1.00 30.64 C ATOM 232 CG2 VAL A 41 13.614 -10.921 6.095 1.00 30.75 C ATOM 233 H VAL A 41 15.616 -11.159 4.314 1.00 0.00 H ATOM 234 N GLY A 42 13.809 -10.478 2.185 1.00 33.85 N ATOM 235 CA GLY A 42 13.279 -9.457 1.284 1.00 34.34 C ATOM 236 C GLY A 42 13.621 -7.991 1.526 1.00 33.70 C ATOM 237 O GLY A 42 13.372 -7.153 0.655 1.00 34.10 O ATOM 238 H GLY A 42 14.818 -10.723 2.134 1.00 0.00 H ATOM 239 N ALA A 43 14.184 -7.666 2.684 1.00 33.27 N ATOM 240 CA ALA A 43 14.511 -6.267 2.992 1.00 32.78 C ATOM 241 C ALA A 43 15.282 -5.612 1.844 1.00 32.37 C ATOM 242 O ALA A 43 16.294 -6.117 1.420 1.00 31.91 O ATOM 243 CB ALA A 43 15.320 -6.187 4.283 1.00 31.74 C ATOM 244 H ALA A 43 14.396 -8.409 3.380 1.00 0.00 H ATOM 245 N GLN A 44 14.802 -4.466 1.370 1.00 31.04 N ATOM 246 CA GLN A 44 15.443 -3.783 0.242 1.00 31.26 C ATOM 247 C GLN A 44 16.150 -2.481 0.585 1.00 29.26 C ATOM 248 O GLN A 44 16.930 -1.956 -0.207 1.00 26.60 O ATOM 249 CB GLN A 44 14.399 -3.448 -0.836 1.00 33.09 C ATOM 250 CG GLN A 44 13.904 -4.614 -1.663 1.00 35.88 C ATOM 251 CD GLN A 44 14.227 -4.448 -3.136 1.00 36.94 C ATOM 252 OE1 GLN A 44 14.159 -3.359 -3.679 1.00 40.22 O ATOM 253 NE2 GLN A 44 14.569 -5.552 -3.790 1.00 39.91 N ATOM 254 HE22 GLN A 44 14.615 -6.461 -3.287 1.00 0.00 H ATOM 255 HE21 GLN A 44 14.791 -5.507 -4.805 1.00 0.00 H ATOM 256 H GLN A 44 13.957 -4.047 1.807 1.00 0.00 H ATOM 257 N LYS A 45 15.884 -1.967 1.775 1.00 28.25 N ATOM 258 CA LYS A 45 16.426 -0.678 2.168 1.00 27.31 C ATOM 259 C LYS A 45 17.595 -0.595 3.140 1.00 27.37 C ATOM 260 O LYS A 45 18.057 -1.592 3.671 1.00 29.19 O ATOM 261 CB LYS A 45 15.255 0.150 2.689 1.00 27.97 C ATOM 262 CG LYS A 45 14.079 0.185 1.704 1.00 27.34 C ATOM 263 CD LYS A 45 12.863 0.908 2.260 1.00 27.25 C ATOM 264 CE LYS A 45 12.204 0.104 3.364 1.00 27.42 C ATOM 265 NZ LYS A 45 10.992 0.809 3.865 1.00 25.64 N ATOM 266 HZ1 LYS A 45 11.264 1.740 4.239 1.00 0.00 H ATOM 267 HZ2 LYS A 45 10.316 0.932 3.084 1.00 0.00 H ATOM 268 HZ3 LYS A 45 10.552 0.246 4.621 1.00 0.00 H ATOM 269 H LYS A 45 15.279 -2.493 2.438 1.00 0.00 H ATOM 270 N ASP A 46 18.066 0.635 3.336 1.00 26.12 N ATOM 271 CA ASP A 46 19.150 0.924 4.255 1.00 27.20 C ATOM 272 C ASP A 46 18.608 1.599 5.523 1.00 25.61 C ATOM 273 O ASP A 46 19.233 1.526 6.561 1.00 25.46 O ATOM 274 CB ASP A 46 20.210 1.814 3.602 1.00 29.32 C ATOM 275 CG ASP A 46 21.035 1.077 2.547 1.00 32.57 C ATOM 276 OD1 ASP A 46 21.183 -0.168 2.638 1.00 33.21 O ATOM 277 OD2 ASP A 46 21.559 1.753 1.632 1.00 34.09 O ATOM 278 H ASP A 46 17.638 1.422 2.807 1.00 0.00 H ATOM 279 N THR A 47 17.459 2.270 5.425 1.00 24.19 N ATOM 280 CA THR A 47 16.840 2.881 6.606 1.00 22.03 C ATOM 281 C THR A 47 15.441 2.274 6.742 1.00 20.71 C ATOM 282 O THR A 47 14.695 2.193 5.770 1.00 20.51 O ATOM 283 CB THR A 47 16.706 4.428 6.512 1.00 23.30 C ATOM 284 OG1 THR A 47 18.009 5.038 6.496 1.00 26.26 O ATOM 285 CG2 THR A 47 15.951 4.958 7.730 1.00 25.13 C ATOM 286 HG1 THR A 47 17.911 6.021 6.436 1.00 0.00 H ATOM 287 H THR A 47 16.996 2.361 4.498 1.00 0.00 H ATOM 288 N TYR A 48 15.104 1.850 7.956 1.00 19.95 N ATOM 289 CA TYR A 48 13.815 1.227 8.243 1.00 19.71 C ATOM 290 C TYR A 48 13.131 1.824 9.474 1.00 19.94 C ATOM 291 O TYR A 48 13.707 2.619 10.195 1.00 19.55 O ATOM 292 CB TYR A 48 13.996 -0.264 8.545 1.00 20.26 C ATOM 293 CG TYR A 48 14.670 -1.096 7.475 1.00 19.63 C ATOM 294 CD1 TYR A 48 16.056 -1.083 7.321 1.00 20.19 C ATOM 295 CD2 TYR A 48 13.922 -1.914 6.634 1.00 21.77 C ATOM 296 CE1 TYR A 48 16.684 -1.873 6.355 1.00 21.04 C ATOM 297 CE2 TYR A 48 14.539 -2.707 5.661 1.00 22.38 C ATOM 298 CZ TYR A 48 15.917 -2.681 5.529 1.00 20.80 C ATOM 299 OH TYR A 48 16.530 -3.458 4.576 1.00 22.92 O ATOM 300 HH TYR A 48 17.509 -3.319 4.619 1.00 0.00 H ATOM 301 H TYR A 48 15.786 1.967 8.733 1.00 0.00 H ATOM 302 N THR A 49 11.883 1.419 9.691 1.00 18.92 N ATOM 303 CA THR A 49 11.150 1.806 10.888 1.00 17.72 C ATOM 304 C THR A 49 11.338 0.540 11.724 1.00 16.98 C ATOM 305 O THR A 49 11.578 -0.522 11.173 1.00 15.68 O ATOM 306 CB THR A 49 9.636 1.985 10.639 1.00 17.95 C ATOM 307 OG1 THR A 49 9.075 0.745 10.181 1.00 17.24 O ATOM 308 CG2 THR A 49 9.389 3.075 9.606 1.00 20.09 C ATOM 309 HG1 THR A 49 8.105 0.862 10.022 1.00 0.00 H ATOM 310 H THR A 49 11.419 0.810 8.987 1.00 0.00 H ATOM 311 N MET A 50 11.241 0.638 13.041 1.00 16.01 N ATOM 312 CA MET A 50 11.410 -0.557 13.854 1.00 15.49 C ATOM 313 C MET A 50 10.312 -1.573 13.534 1.00 15.09 C ATOM 314 O MET A 50 10.517 -2.778 13.640 1.00 15.37 O ATOM 315 CB MET A 50 11.423 -0.205 15.345 1.00 16.42 C ATOM 316 CG MET A 50 12.800 0.203 15.866 1.00 21.30 C ATOM 317 SD MET A 50 14.071 -1.093 15.661 1.00 25.55 S ATOM 318 CE MET A 50 13.430 -2.342 16.648 1.00 19.71 C ATOM 319 H MET A 50 11.047 1.557 13.488 1.00 0.00 H ATOM 320 N LYS A 51 9.148 -1.080 13.124 1.00 16.10 N ATOM 321 CA LYS A 51 8.046 -1.967 12.764 1.00 15.88 C ATOM 322 C LYS A 51 8.493 -2.926 11.663 1.00 14.98 C ATOM 323 O LYS A 51 8.151 -4.101 11.684 1.00 14.91 O ATOM 324 CB LYS A 51 6.853 -1.155 12.259 1.00 17.35 C ATOM 325 CG LYS A 51 5.723 -1.996 11.703 1.00 19.91 C ATOM 326 CD LYS A 51 4.563 -1.112 11.279 1.00 22.08 C ATOM 327 CE LYS A 51 3.351 -1.932 10.853 1.00 25.25 C ATOM 328 NZ LYS A 51 2.148 -1.055 10.700 1.00 27.57 N ATOM 329 HZ1 LYS A 51 1.940 -0.592 11.608 1.00 0.00 H ATOM 330 HZ2 LYS A 51 2.337 -0.332 9.977 1.00 0.00 H ATOM 331 HZ3 LYS A 51 1.334 -1.633 10.409 1.00 0.00 H ATOM 332 H LYS A 51 9.021 -0.050 13.059 1.00 0.00 H ATOM 333 N GLU A 52 9.253 -2.400 10.703 1.00 14.70 N ATOM 334 CA GLU A 52 9.762 -3.193 9.582 1.00 14.97 C ATOM 335 C GLU A 52 10.812 -4.189 10.065 1.00 15.37 C ATOM 336 O GLU A 52 10.783 -5.366 9.718 1.00 15.64 O ATOM 337 CB GLU A 52 10.377 -2.279 8.509 1.00 15.39 C ATOM 338 CG GLU A 52 9.369 -1.410 7.743 1.00 17.97 C ATOM 339 CD GLU A 52 10.035 -0.497 6.719 1.00 19.76 C ATOM 340 OE1 GLU A 52 11.009 0.191 7.074 1.00 18.10 O ATOM 341 OE2 GLU A 52 9.578 -0.460 5.555 1.00 23.16 O ATOM 342 H GLU A 52 9.493 -1.389 10.752 1.00 0.00 H ATOM 343 N VAL A 53 11.739 -3.705 10.880 1.00 15.11 N ATOM 344 CA VAL A 53 12.796 -4.557 11.407 1.00 15.12 C ATOM 345 C VAL A 53 12.233 -5.723 12.216 1.00 15.69 C ATOM 346 O VAL A 53 12.682 -6.849 12.080 1.00 16.02 O ATOM 347 CB VAL A 53 13.744 -3.742 12.289 1.00 15.85 C ATOM 348 CG1 VAL A 53 14.791 -4.647 12.915 1.00 17.10 C ATOM 349 CG2 VAL A 53 14.395 -2.639 11.448 1.00 16.83 C ATOM 350 H VAL A 53 11.711 -2.700 11.147 1.00 0.00 H ATOM 351 N LEU A 54 11.251 -5.439 13.064 1.00 15.49 N ATOM 352 CA LEU A 54 10.639 -6.474 13.888 1.00 15.45 C ATOM 353 C LEU A 54 9.920 -7.513 13.042 1.00 15.30 C ATOM 354 O LEU A 54 9.971 -8.699 13.330 1.00 16.65 O ATOM 355 CB LEU A 54 9.671 -5.836 14.886 1.00 17.28 C ATOM 356 CG LEU A 54 10.371 -5.054 16.002 1.00 16.87 C ATOM 357 CD1 LEU A 54 9.366 -4.156 16.722 1.00 17.62 C ATOM 358 CD2 LEU A 54 11.024 -6.033 16.979 1.00 17.78 C ATOM 359 H LEU A 54 10.912 -4.459 13.142 1.00 0.00 H ATOM 360 N PHE A 55 9.239 -7.067 11.996 1.00 15.95 N ATOM 361 CA PHE A 55 8.532 -8.009 11.136 1.00 16.47 C ATOM 362 C PHE A 55 9.511 -8.884 10.373 1.00 16.48 C ATOM 363 O PHE A 55 9.361 -10.094 10.341 1.00 18.09 O ATOM 364 CB PHE A 55 7.649 -7.280 10.130 1.00 17.66 C ATOM 365 CG PHE A 55 7.100 -8.176 9.065 1.00 17.51 C ATOM 366 CD1 PHE A 55 5.982 -8.965 9.306 1.00 20.93 C ATOM 367 CD2 PHE A 55 7.737 -8.269 7.830 1.00 18.78 C ATOM 368 CE1 PHE A 55 5.501 -9.839 8.322 1.00 21.84 C ATOM 369 CE2 PHE A 55 7.270 -9.133 6.846 1.00 21.04 C ATOM 370 CZ PHE A 55 6.151 -9.922 7.092 1.00 21.49 C ATOM 371 H PHE A 55 9.209 -6.048 11.789 1.00 0.00 H ATOM 372 N TYR A 56 10.507 -8.262 9.747 1.00 15.66 N ATOM 373 CA TYR A 56 11.487 -9.023 8.982 1.00 16.55 C ATOM 374 C TYR A 56 12.213 -10.019 9.885 1.00 17.21 C ATOM 375 O TYR A 56 12.451 -11.151 9.487 1.00 17.81 O ATOM 376 CB TYR A 56 12.469 -8.079 8.267 1.00 15.87 C ATOM 377 CG TYR A 56 11.824 -7.318 7.111 1.00 17.70 C ATOM 378 CD1 TYR A 56 11.127 -7.994 6.111 1.00 20.91 C ATOM 379 CD2 TYR A 56 11.894 -5.929 7.034 1.00 19.25 C ATOM 380 CE1 TYR A 56 10.507 -7.305 5.054 1.00 20.04 C ATOM 381 CE2 TYR A 56 11.283 -5.227 5.986 1.00 20.48 C ATOM 382 CZ TYR A 56 10.592 -5.919 5.001 1.00 21.60 C ATOM 383 OH TYR A 56 9.994 -5.236 3.959 1.00 22.04 O ATOM 384 HH TYR A 56 10.683 -4.733 3.457 1.00 0.00 H ATOM 385 H TYR A 56 10.587 -7.227 9.804 1.00 0.00 H ATOM 386 N LEU A 57 12.547 -9.613 11.108 1.00 16.81 N ATOM 387 CA LEU A 57 13.204 -10.540 12.033 1.00 17.06 C ATOM 388 C LEU A 57 12.227 -11.649 12.421 1.00 17.80 C ATOM 389 O LEU A 57 12.596 -12.812 12.518 1.00 19.47 O ATOM 390 CB LEU A 57 13.666 -9.823 13.302 1.00 15.76 C ATOM 391 CG LEU A 57 15.000 -9.082 13.245 1.00 17.89 C ATOM 392 CD1 LEU A 57 15.198 -8.313 14.555 1.00 19.27 C ATOM 393 CD2 LEU A 57 16.138 -10.065 13.032 1.00 21.27 C ATOM 394 H LEU A 57 12.342 -8.638 11.407 1.00 0.00 H ATOM 395 N GLY A 58 10.979 -11.265 12.658 1.00 17.47 N ATOM 396 CA GLY A 58 9.962 -12.234 13.013 1.00 19.02 C ATOM 397 C GLY A 58 9.782 -13.280 11.918 1.00 20.77 C ATOM 398 O GLY A 58 9.634 -14.466 12.215 1.00 20.88 O ATOM 399 H GLY A 58 10.728 -10.258 12.588 1.00 0.00 H ATOM 400 N GLN A 59 9.794 -12.843 10.657 1.00 20.49 N ATOM 401 CA GLN A 59 9.638 -13.756 9.524 1.00 22.15 C ATOM 402 C GLN A 59 10.894 -14.604 9.335 1.00 22.69 C ATOM 403 O GLN A 59 10.797 -15.737 8.888 1.00 24.51 O ATOM 404 CB GLN A 59 9.324 -12.996 8.215 1.00 24.12 C ATOM 405 CG GLN A 59 7.886 -12.459 8.132 1.00 27.51 C ATOM 406 CD GLN A 59 6.836 -13.563 7.977 1.00 28.68 C ATOM 407 OE1 GLN A 59 5.688 -13.427 8.470 1.00 28.86 O ATOM 408 NE2 GLN A 59 7.215 -14.664 7.336 1.00 28.05 N ATOM 409 HE22 GLN A 59 8.176 -14.733 6.944 1.00 0.00 H ATOM 410 HE21 GLN A 59 6.551 -15.457 7.227 1.00 0.00 H ATOM 411 H GLN A 59 9.918 -11.827 10.475 1.00 0.00 H ATOM 412 N TYR A 60 12.069 -14.058 9.649 1.00 21.97 N ATOM 413 CA TYR A 60 13.319 -14.819 9.519 1.00 23.14 C ATOM 414 C TYR A 60 13.222 -15.981 10.522 1.00 22.68 C ATOM 415 O TYR A 60 13.557 -17.133 10.205 1.00 23.74 O ATOM 416 CB TYR A 60 14.524 -13.933 9.869 1.00 24.01 C ATOM 417 CG TYR A 60 15.876 -14.626 9.860 1.00 25.81 C ATOM 418 CD1 TYR A 60 16.664 -14.663 8.707 1.00 26.14 C ATOM 419 CD2 TYR A 60 16.390 -15.205 11.024 1.00 25.91 C ATOM 420 CE1 TYR A 60 17.934 -15.249 8.713 1.00 26.80 C ATOM 421 CE2 TYR A 60 17.662 -15.799 11.035 1.00 26.84 C ATOM 422 CZ TYR A 60 18.423 -15.814 9.883 1.00 27.03 C ATOM 423 OH TYR A 60 19.678 -16.384 9.899 1.00 27.68 O ATOM 424 HH TYR A 60 19.603 -17.338 10.152 1.00 0.00 H ATOM 425 H TYR A 60 12.101 -13.077 9.992 1.00 0.00 H ATOM 426 N ILE A 61 12.738 -15.663 11.720 1.00 21.65 N ATOM 427 CA ILE A 61 12.570 -16.630 12.790 1.00 22.53 C ATOM 428 C ILE A 61 11.606 -17.769 12.437 1.00 24.17 C ATOM 429 O ILE A 61 11.954 -18.932 12.571 1.00 24.10 O ATOM 430 CB ILE A 61 12.075 -15.925 14.066 1.00 21.69 C ATOM 431 CG1 ILE A 61 13.207 -15.062 14.623 1.00 22.63 C ATOM 432 CG2 ILE A 61 11.578 -16.937 15.090 1.00 22.28 C ATOM 433 CD1 ILE A 61 12.836 -14.270 15.855 1.00 21.32 C ATOM 434 H ILE A 61 12.467 -14.675 11.898 1.00 0.00 H ATOM 435 N MET A 62 10.407 -17.436 11.970 1.00 24.98 N ATOM 436 CA MET A 62 9.408 -18.453 11.650 1.00 25.76 C ATOM 437 C MET A 62 9.759 -19.295 10.408 1.00 26.74 C ATOM 438 O MET A 62 9.600 -20.521 10.431 1.00 26.38 O ATOM 439 CB MET A 62 8.029 -17.797 11.477 1.00 25.29 C ATOM 440 CG MET A 62 7.514 -16.955 12.663 1.00 25.07 C ATOM 441 SD MET A 62 7.554 -17.835 14.247 1.00 26.24 S ATOM 442 CE MET A 62 6.219 -19.030 14.088 1.00 27.06 C ATOM 443 H MET A 62 10.175 -16.432 11.830 1.00 0.00 H ATOM 444 N THR A 63 10.239 -18.652 9.345 1.00 27.29 N ATOM 445 CA THR A 63 10.584 -19.380 8.134 1.00 28.59 C ATOM 446 C THR A 63 11.716 -20.376 8.373 1.00 28.76 C ATOM 447 O THR A 63 11.784 -21.412 7.716 1.00 29.92 O ATOM 448 CB THR A 63 10.947 -18.415 6.969 1.00 28.80 C ATOM 449 OG1 THR A 63 12.088 -17.627 7.326 1.00 31.04 O ATOM 450 CG2 THR A 63 9.775 -17.499 6.657 1.00 27.42 C ATOM 451 HG1 THR A 63 11.881 -17.098 8.137 1.00 0.00 H ATOM 452 H THR A 63 10.368 -17.621 9.381 1.00 0.00 H ATOM 453 N LYS A 64 12.585 -20.074 9.330 1.00 29.17 N ATOM 454 CA LYS A 64 13.683 -20.975 9.647 1.00 29.10 C ATOM 455 C LYS A 64 13.338 -21.900 10.795 1.00 29.03 C ATOM 456 O LYS A 64 14.188 -22.612 11.284 1.00 29.19 O ATOM 457 CB LYS A 64 14.952 -20.207 10.009 1.00 30.70 C ATOM 458 CG LYS A 64 15.595 -19.454 8.858 1.00 32.72 C ATOM 459 CD LYS A 64 17.035 -19.141 9.225 1.00 34.59 C ATOM 460 CE LYS A 64 17.993 -19.475 8.097 1.00 36.81 C ATOM 461 NZ LYS A 64 19.415 -19.249 8.470 1.00 39.08 N ATOM 462 HZ1 LYS A 64 19.552 -18.249 8.721 1.00 0.00 H ATOM 463 HZ2 LYS A 64 19.658 -19.848 9.285 1.00 0.00 H ATOM 464 HZ3 LYS A 64 20.026 -19.492 7.665 1.00 0.00 H ATOM 465 H LYS A 64 12.480 -19.185 9.859 1.00 0.00 H ATOM 466 N ARG A 65 12.092 -21.857 11.244 1.00 28.69 N ATOM 467 CA ARG A 65 11.664 -22.716 12.342 1.00 29.25 C ATOM 468 C ARG A 65 12.578 -22.647 13.562 1.00 28.35 C ATOM 469 O ARG A 65 12.947 -23.679 14.152 1.00 29.15 O ATOM 470 CB ARG A 65 11.546 -24.157 11.833 1.00 30.83 C ATOM 471 CG ARG A 65 10.649 -24.243 10.616 1.00 33.49 C ATOM 472 CD ARG A 65 9.722 -25.426 10.683 1.00 36.89 C ATOM 473 NE ARG A 65 8.475 -25.168 9.976 1.00 40.68 N ATOM 474 CZ ARG A 65 7.514 -26.079 9.861 1.00 42.02 C ATOM 475 NH1 ARG A 65 7.691 -27.287 10.407 1.00 43.57 N ATOM 476 NH2 ARG A 65 6.359 -25.775 9.261 1.00 43.25 N ATOM 477 HE ARG A 65 8.331 -24.233 9.544 1.00 0.00 H ATOM 478 HH12 ARG A 65 6.947 -28.009 10.324 1.00 0.00 H ATOM 479 HH11 ARG A 65 8.573 -27.504 10.914 1.00 0.00 H ATOM 480 HH22 ARG A 65 5.612 -26.494 9.175 1.00 0.00 H ATOM 481 HH21 ARG A 65 6.207 -24.819 8.880 1.00 0.00 H ATOM 482 H ARG A 65 11.411 -21.203 10.808 1.00 0.00 H ATOM 483 N LEU A 66 12.953 -21.424 13.927 1.00 26.57 N ATOM 484 CA LEU A 66 13.791 -21.211 15.096 1.00 25.25 C ATOM 485 C LEU A 66 12.836 -21.064 16.278 1.00 26.03 C ATOM 486 O LEU A 66 13.245 -21.109 17.422 1.00 26.27 O ATOM 487 CB LEU A 66 14.629 -19.939 14.944 1.00 25.21 C ATOM 488 CG LEU A 66 15.617 -19.865 13.783 1.00 25.17 C ATOM 489 CD1 LEU A 66 16.417 -18.580 13.884 1.00 24.88 C ATOM 490 CD2 LEU A 66 16.548 -21.062 13.815 1.00 26.24 C ATOM 491 H LEU A 66 12.641 -20.606 13.366 1.00 0.00 H ATOM 492 N TYR A 67 11.552 -20.888 15.969 1.00 26.67 N ATOM 493 CA TYR A 67 10.499 -20.740 16.971 1.00 29.06 C ATOM 494 C TYR A 67 9.273 -21.527 16.525 1.00 30.29 C ATOM 495 O TYR A 67 9.015 -21.640 15.338 1.00 30.77 O ATOM 496 CB TYR A 67 10.104 -19.275 17.123 1.00 29.04 C ATOM 497 CG TYR A 67 9.007 -19.073 18.132 1.00 30.57 C ATOM 498 CD1 TYR A 67 9.209 -19.400 19.468 1.00 31.29 C ATOM 499 CD2 TYR A 67 7.761 -18.569 17.751 1.00 30.21 C ATOM 500 CE1 TYR A 67 8.209 -19.219 20.406 1.00 31.49 C ATOM 501 CE2 TYR A 67 6.755 -18.386 18.684 1.00 32.07 C ATOM 502 CZ TYR A 67 6.982 -18.716 20.007 1.00 32.11 C ATOM 503 OH TYR A 67 5.996 -18.523 20.955 1.00 35.02 O ATOM 504 HH TYR A 67 5.756 -17.563 20.989 1.00 0.00 H ATOM 505 H TYR A 67 11.286 -20.854 14.964 1.00 0.00 H ATOM 506 N ASP A 68 8.518 -22.049 17.487 1.00 32.17 N ATOM 507 CA ASP A 68 7.326 -22.837 17.200 1.00 33.51 C ATOM 508 C ASP A 68 6.545 -23.099 18.477 1.00 33.89 C ATOM 509 O ASP A 68 7.009 -22.803 19.574 1.00 34.15 O ATOM 510 CB ASP A 68 7.751 -24.157 16.533 1.00 36.14 C ATOM 511 CG ASP A 68 6.666 -25.230 16.556 1.00 37.54 C ATOM 512 OD1 ASP A 68 5.578 -25.016 17.134 1.00 38.53 O ATOM 513 OD2 ASP A 68 6.925 -26.309 15.982 1.00 40.32 O ATOM 514 H ASP A 68 8.787 -21.889 18.479 1.00 0.00 H TER 515 ASP A 68 ATOM 516 N HIS A 73 8.036 -20.928 24.370 1.00 34.37 N ATOM 517 CA HIS A 73 8.260 -19.536 23.986 1.00 34.53 C ATOM 518 C HIS A 73 9.729 -19.198 23.756 1.00 34.06 C ATOM 519 O HIS A 73 10.128 -18.033 23.774 1.00 33.87 O ATOM 520 CB HIS A 73 7.676 -18.604 25.052 1.00 36.50 C ATOM 521 CG HIS A 73 6.181 -18.673 25.172 1.00 37.71 C ATOM 522 ND1 HIS A 73 5.353 -18.653 24.070 1.00 38.62 N ATOM 523 CD2 HIS A 73 5.357 -18.781 26.248 1.00 38.13 C ATOM 524 CE1 HIS A 73 4.096 -18.752 24.454 1.00 38.54 C ATOM 525 NE2 HIS A 73 4.071 -18.833 25.775 1.00 38.06 N ATOM 526 HN3 HIS A 73 8.545 -21.128 25.255 1.00 0.00 H ATOM 527 HN2 HIS A 73 8.386 -21.555 23.618 1.00 0.00 H ATOM 528 HN1 HIS A 73 7.018 -21.088 24.510 1.00 0.00 H ATOM 529 N ILE A 74 10.543 -20.216 23.510 1.00 32.55 N ATOM 530 CA ILE A 74 11.953 -19.969 23.279 1.00 31.41 C ATOM 531 C ILE A 74 12.360 -20.092 21.819 1.00 30.52 C ATOM 532 O ILE A 74 11.925 -21.001 21.094 1.00 30.38 O ATOM 533 CB ILE A 74 12.820 -20.914 24.134 1.00 31.16 C ATOM 534 CG1 ILE A 74 12.520 -20.657 25.608 1.00 31.27 C ATOM 535 CG2 ILE A 74 14.306 -20.692 23.850 1.00 31.29 C ATOM 536 CD1 ILE A 74 12.535 -21.884 26.446 1.00 32.71 C ATOM 537 H ILE A 74 10.172 -21.187 23.483 1.00 0.00 H ATOM 538 N VAL A 75 13.179 -19.136 21.400 1.00 29.80 N ATOM 539 CA VAL A 75 13.728 -19.095 20.057 1.00 28.04 C ATOM 540 C VAL A 75 15.145 -19.658 20.167 1.00 28.10 C ATOM 541 O VAL A 75 15.934 -19.198 20.992 1.00 26.83 O ATOM 542 CB VAL A 75 13.784 -17.648 19.536 1.00 28.11 C ATOM 543 CG1 VAL A 75 14.506 -17.598 18.199 1.00 27.22 C ATOM 544 CG2 VAL A 75 12.374 -17.108 19.397 1.00 28.05 C ATOM 545 H VAL A 75 13.440 -18.380 22.065 1.00 0.00 H ATOM 546 N TYR A 76 15.457 -20.666 19.352 1.00 28.43 N ATOM 547 CA TYR A 76 16.791 -21.272 19.373 1.00 29.38 C ATOM 548 C TYR A 76 17.649 -20.810 18.214 1.00 30.00 C ATOM 549 O TYR A 76 17.361 -21.115 17.052 1.00 31.51 O ATOM 550 CB TYR A 76 16.693 -22.795 19.347 1.00 29.53 C ATOM 551 CG TYR A 76 15.892 -23.330 20.490 1.00 29.15 C ATOM 552 CD1 TYR A 76 14.515 -23.495 20.375 1.00 29.13 C ATOM 553 CD2 TYR A 76 16.498 -23.620 21.715 1.00 29.23 C ATOM 554 CE1 TYR A 76 13.761 -23.940 21.436 1.00 29.68 C ATOM 555 CE2 TYR A 76 15.745 -24.063 22.791 1.00 30.12 C ATOM 556 CZ TYR A 76 14.376 -24.221 22.643 1.00 30.25 C ATOM 557 OH TYR A 76 13.621 -24.677 23.702 1.00 32.31 O ATOM 558 HH TYR A 76 12.671 -24.732 23.429 1.00 0.00 H ATOM 559 H TYR A 76 14.741 -21.028 18.690 1.00 0.00 H ATOM 560 N CYS A 77 18.715 -20.090 18.537 1.00 29.51 N ATOM 561 CA CYS A 77 19.608 -19.544 17.531 1.00 30.90 C ATOM 562 C CYS A 77 21.111 -19.838 17.712 1.00 31.74 C ATOM 563 O CYS A 77 21.933 -19.062 17.285 1.00 31.26 O ATOM 564 CB CYS A 77 19.398 -18.031 17.495 1.00 29.40 C ATOM 565 SG CYS A 77 19.254 -17.286 19.159 1.00 26.93 S ATOM 566 H CYS A 77 18.917 -19.911 19.541 1.00 0.00 H ATOM 567 N SER A 78 21.455 -20.986 18.294 1.00 33.43 N ATOM 568 CA SER A 78 22.865 -21.334 18.546 1.00 35.10 C ATOM 569 C SER A 78 23.749 -21.434 17.310 1.00 36.02 C ATOM 570 O SER A 78 24.902 -21.035 17.335 1.00 36.47 O ATOM 571 CB SER A 78 22.959 -22.662 19.286 1.00 35.25 C ATOM 572 OG SER A 78 21.676 -23.050 19.736 1.00 37.96 O ATOM 573 HG SER A 78 21.319 -22.358 20.347 1.00 0.00 H ATOM 574 H SER A 78 20.710 -21.654 18.578 1.00 0.00 H ATOM 575 N ASN A 79 23.197 -22.005 16.242 1.00 36.48 N ATOM 576 CA ASN A 79 23.907 -22.178 14.976 1.00 37.01 C ATOM 577 C ASN A 79 23.293 -21.367 13.844 1.00 37.02 C ATOM 578 O ASN A 79 23.127 -21.838 12.696 1.00 37.59 O ATOM 579 CB ASN A 79 23.960 -23.668 14.615 1.00 38.08 C ATOM 580 CG ASN A 79 24.981 -24.413 15.426 1.00 37.88 C ATOM 581 OD1 ASN A 79 26.192 -24.171 15.290 1.00 39.07 O ATOM 582 ND2 ASN A 79 24.519 -25.312 16.286 1.00 37.62 N ATOM 583 HD22 ASN A 79 23.495 -25.479 16.364 1.00 0.00 H ATOM 584 HD21 ASN A 79 25.180 -25.849 16.882 1.00 0.00 H ATOM 585 H ASN A 79 22.216 -22.343 16.311 1.00 0.00 H ATOM 586 N ASP A 80 23.008 -20.112 14.165 1.00 36.42 N ATOM 587 CA ASP A 80 22.382 -19.210 13.209 1.00 34.91 C ATOM 588 C ASP A 80 22.942 -17.822 13.420 1.00 34.16 C ATOM 589 O ASP A 80 23.264 -17.437 14.540 1.00 33.61 O ATOM 590 CB ASP A 80 20.863 -19.194 13.438 1.00 34.50 C ATOM 591 CG ASP A 80 20.114 -18.620 12.270 1.00 33.87 C ATOM 592 OD1 ASP A 80 19.973 -17.384 12.156 1.00 32.77 O ATOM 593 OD2 ASP A 80 19.707 -19.428 11.429 1.00 33.94 O ATOM 594 H ASP A 80 23.236 -19.765 15.119 1.00 0.00 H ATOM 595 N LEU A 81 23.098 -17.077 12.337 1.00 33.42 N ATOM 596 CA LEU A 81 23.642 -15.741 12.457 1.00 33.85 C ATOM 597 C LEU A 81 22.851 -14.909 13.453 1.00 31.84 C ATOM 598 O LEU A 81 23.377 -13.979 14.007 1.00 32.76 O ATOM 599 CB LEU A 81 23.640 -15.014 11.119 1.00 35.14 C ATOM 600 CG LEU A 81 24.395 -13.684 11.201 1.00 35.57 C ATOM 601 CD1 LEU A 81 25.915 -13.913 11.063 1.00 37.28 C ATOM 602 CD2 LEU A 81 23.897 -12.793 10.103 1.00 37.15 C ATOM 603 H LEU A 81 22.831 -17.450 11.404 1.00 0.00 H ATOM 604 N LEU A 82 21.577 -15.237 13.652 1.00 30.62 N ATOM 605 CA LEU A 82 20.763 -14.486 14.612 1.00 30.08 C ATOM 606 C LEU A 82 21.453 -14.575 15.970 1.00 29.85 C ATOM 607 O LEU A 82 21.559 -13.588 16.690 1.00 28.99 O ATOM 608 CB LEU A 82 19.346 -15.070 14.712 1.00 29.54 C ATOM 609 CG LEU A 82 18.436 -14.327 15.698 1.00 28.00 C ATOM 610 CD1 LEU A 82 18.189 -12.913 15.175 1.00 28.16 C ATOM 611 CD2 LEU A 82 17.117 -15.076 15.871 1.00 26.63 C ATOM 612 H LEU A 82 21.157 -16.029 13.125 1.00 0.00 H ATOM 613 N GLY A 83 21.945 -15.768 16.299 1.00 30.46 N ATOM 614 CA GLY A 83 22.620 -15.964 17.569 1.00 30.10 C ATOM 615 C GLY A 83 23.875 -15.124 17.722 1.00 30.99 C ATOM 616 O GLY A 83 24.193 -14.676 18.819 1.00 31.60 O ATOM 617 H GLY A 83 21.845 -16.566 15.640 1.00 0.00 H ATOM 618 N ASP A 84 24.601 -14.919 16.627 1.00 32.22 N ATOM 619 CA ASP A 84 25.819 -14.110 16.667 1.00 32.77 C ATOM 620 C ASP A 84 25.430 -12.633 16.797 1.00 31.85 C ATOM 621 O ASP A 84 26.079 -11.853 17.496 1.00 31.91 O ATOM 622 CB ASP A 84 26.642 -14.330 15.390 1.00 34.53 C ATOM 623 CG ASP A 84 27.053 -15.788 15.200 1.00 36.44 C ATOM 624 OD1 ASP A 84 27.200 -16.507 16.213 1.00 38.70 O ATOM 625 OD2 ASP A 84 27.240 -16.213 14.042 1.00 38.41 O ATOM 626 H ASP A 84 24.298 -15.341 15.726 1.00 0.00 H ATOM 627 N LEU A 85 24.342 -12.278 16.122 1.00 31.41 N ATOM 628 CA LEU A 85 23.798 -10.919 16.118 1.00 30.23 C ATOM 629 C LEU A 85 23.333 -10.508 17.513 1.00 29.08 C ATOM 630 O LEU A 85 23.612 -9.408 17.968 1.00 29.19 O ATOM 631 CB LEU A 85 22.608 -10.852 15.147 1.00 31.59 C ATOM 632 CG LEU A 85 22.876 -10.302 13.735 1.00 32.42 C ATOM 633 CD1 LEU A 85 21.902 -10.863 12.705 1.00 33.05 C ATOM 634 CD2 LEU A 85 22.787 -8.793 13.799 1.00 33.35 C ATOM 635 H LEU A 85 23.850 -13.006 15.566 1.00 0.00 H ATOM 636 N PHE A 86 22.609 -11.412 18.173 1.00 27.96 N ATOM 637 CA PHE A 86 22.057 -11.179 19.505 1.00 27.68 C ATOM 638 C PHE A 86 22.999 -11.499 20.672 1.00 28.41 C ATOM 639 O PHE A 86 22.843 -10.952 21.770 1.00 27.59 O ATOM 640 CB PHE A 86 20.737 -11.959 19.651 1.00 26.09 C ATOM 641 CG PHE A 86 19.546 -11.263 19.027 1.00 23.07 C ATOM 642 CD1 PHE A 86 19.724 -10.167 18.191 1.00 22.62 C ATOM 643 CD2 PHE A 86 18.253 -11.713 19.272 1.00 22.62 C ATOM 644 CE1 PHE A 86 18.632 -9.517 17.616 1.00 22.46 C ATOM 645 CE2 PHE A 86 17.157 -11.075 18.708 1.00 22.93 C ATOM 646 CZ PHE A 86 17.350 -9.970 17.868 1.00 22.03 C ATOM 647 H PHE A 86 22.428 -12.329 17.717 1.00 0.00 H ATOM 648 N GLY A 87 23.977 -12.366 20.430 1.00 28.71 N ATOM 649 CA GLY A 87 24.926 -12.732 21.470 1.00 29.76 C ATOM 650 C GLY A 87 24.406 -13.782 22.436 1.00 29.82 C ATOM 651 O GLY A 87 24.942 -13.946 23.529 1.00 31.11 O ATOM 652 H GLY A 87 24.065 -12.789 19.484 1.00 0.00 H ATOM 653 N VAL A 88 23.364 -14.503 22.037 1.00 29.87 N ATOM 654 CA VAL A 88 22.782 -15.534 22.889 1.00 29.62 C ATOM 655 C VAL A 88 22.443 -16.779 22.074 1.00 30.23 C ATOM 656 O VAL A 88 22.231 -16.699 20.868 1.00 29.79 O ATOM 657 CB VAL A 88 21.489 -15.017 23.576 1.00 29.04 C ATOM 658 CG1 VAL A 88 21.805 -13.799 24.438 1.00 28.41 C ATOM 659 CG2 VAL A 88 20.440 -14.660 22.519 1.00 28.76 C ATOM 660 H VAL A 88 22.954 -14.329 21.097 1.00 0.00 H ATOM 661 N PRO A 89 22.398 -17.956 22.723 1.00 30.35 N ATOM 662 CA PRO A 89 22.073 -19.203 22.020 1.00 30.25 C ATOM 663 C PRO A 89 20.554 -19.391 21.945 1.00 29.65 C ATOM 664 O PRO A 89 20.051 -20.228 21.195 1.00 30.70 O ATOM 665 CB PRO A 89 22.737 -20.261 22.892 1.00 31.00 C ATOM 666 CG PRO A 89 22.470 -19.718 24.268 1.00 31.18 C ATOM 667 CD PRO A 89 22.803 -18.232 24.117 1.00 31.42 C ATOM 668 N SER A 90 19.839 -18.602 22.743 1.00 29.12 N ATOM 669 CA SER A 90 18.381 -18.642 22.792 1.00 27.81 C ATOM 670 C SER A 90 17.840 -17.450 23.570 1.00 27.34 C ATOM 671 O SER A 90 18.596 -16.715 24.188 1.00 27.75 O ATOM 672 CB SER A 90 17.896 -19.935 23.460 1.00 29.11 C ATOM 673 OG SER A 90 18.369 -20.028 24.797 1.00 28.86 O ATOM 674 HG SER A 90 18.042 -20.869 25.204 1.00 0.00 H ATOM 675 H SER A 90 20.340 -17.929 23.357 1.00 0.00 H ATOM 676 N PHE A 91 16.523 -17.277 23.532 1.00 25.97 N ATOM 677 CA PHE A 91 15.859 -16.192 24.246 1.00 24.95 C ATOM 678 C PHE A 91 14.361 -16.399 24.124 1.00 25.32 C ATOM 679 O PHE A 91 13.909 -17.062 23.211 1.00 25.47 O ATOM 680 CB PHE A 91 16.265 -14.830 23.660 1.00 23.66 C ATOM 681 CG PHE A 91 15.793 -14.590 22.241 1.00 21.45 C ATOM 682 CD1 PHE A 91 14.514 -14.100 21.985 1.00 22.08 C ATOM 683 CD2 PHE A 91 16.641 -14.831 21.167 1.00 22.90 C ATOM 684 CE1 PHE A 91 14.093 -13.839 20.679 1.00 22.14 C ATOM 685 CE2 PHE A 91 16.235 -14.576 19.860 1.00 22.64 C ATOM 686 CZ PHE A 91 14.955 -14.082 19.613 1.00 22.13 C ATOM 687 H PHE A 91 15.946 -17.938 22.974 1.00 0.00 H ATOM 688 N SER A 92 13.599 -15.840 25.061 1.00 25.74 N ATOM 689 CA SER A 92 12.146 -15.971 25.030 1.00 26.82 C ATOM 690 C SER A 92 11.496 -14.879 24.185 1.00 27.21 C ATOM 691 O SER A 92 11.886 -13.721 24.257 1.00 26.46 O ATOM 692 CB SER A 92 11.582 -15.907 26.445 1.00 28.10 C ATOM 693 OG SER A 92 10.177 -15.702 26.412 1.00 29.59 O ATOM 694 HG SER A 92 9.829 -15.663 27.338 1.00 0.00 H ATOM 695 H SER A 92 14.047 -15.300 25.829 1.00 0.00 H ATOM 696 N VAL A 93 10.494 -15.252 23.391 1.00 27.26 N ATOM 697 CA VAL A 93 9.807 -14.278 22.548 1.00 27.09 C ATOM 698 C VAL A 93 8.912 -13.338 23.345 1.00 26.35 C ATOM 699 O VAL A 93 8.387 -12.377 22.798 1.00 26.36 O ATOM 700 CB VAL A 93 8.916 -14.947 21.486 1.00 27.47 C ATOM 701 CG1 VAL A 93 9.753 -15.874 20.641 1.00 28.83 C ATOM 702 CG2 VAL A 93 7.762 -15.684 22.148 1.00 27.18 C ATOM 703 H VAL A 93 10.197 -16.249 23.371 1.00 0.00 H ATOM 704 N LYS A 94 8.730 -13.622 24.633 1.00 25.99 N ATOM 705 CA LYS A 94 7.889 -12.776 25.474 1.00 27.09 C ATOM 706 C LYS A 94 8.667 -11.672 26.175 1.00 26.77 C ATOM 707 O LYS A 94 8.074 -10.754 26.722 1.00 27.48 O ATOM 708 CB LYS A 94 7.184 -13.612 26.525 1.00 28.17 C ATOM 709 CG LYS A 94 6.195 -14.593 25.951 1.00 29.04 C ATOM 710 CD LYS A 94 5.102 -13.894 25.168 1.00 30.23 C ATOM 711 CE LYS A 94 3.935 -14.839 24.947 1.00 31.66 C ATOM 712 NZ LYS A 94 2.986 -14.344 23.915 1.00 32.32 N ATOM 713 HZ1 LYS A 94 2.601 -13.425 24.212 1.00 0.00 H ATOM 714 HZ2 LYS A 94 3.486 -14.236 23.009 1.00 0.00 H ATOM 715 HZ3 LYS A 94 2.209 -15.027 23.804 1.00 0.00 H ATOM 716 H LYS A 94 9.193 -14.457 25.045 1.00 0.00 H ATOM 717 N GLU A 95 9.992 -11.775 26.168 1.00 26.30 N ATOM 718 CA GLU A 95 10.840 -10.765 26.796 1.00 26.11 C ATOM 719 C GLU A 95 11.207 -9.677 25.790 1.00 24.19 C ATOM 720 O GLU A 95 12.340 -9.572 25.344 1.00 23.13 O ATOM 721 CB GLU A 95 12.106 -11.410 27.375 1.00 28.64 C ATOM 722 CG GLU A 95 11.798 -12.448 28.451 1.00 32.64 C ATOM 723 CD GLU A 95 12.989 -12.792 29.335 1.00 35.17 C ATOM 724 OE1 GLU A 95 14.090 -13.036 28.807 1.00 37.02 O ATOM 725 OE2 GLU A 95 12.819 -12.837 30.574 1.00 38.29 O ATOM 726 H GLU A 95 10.435 -12.594 25.705 1.00 0.00 H ATOM 727 N HIS A 96 10.222 -8.853 25.460 1.00 24.28 N ATOM 728 CA HIS A 96 10.397 -7.784 24.487 1.00 23.08 C ATOM 729 C HIS A 96 11.455 -6.736 24.811 1.00 22.94 C ATOM 730 O HIS A 96 12.209 -6.352 23.933 1.00 22.61 O ATOM 731 CB HIS A 96 9.053 -7.120 24.224 1.00 23.60 C ATOM 732 CG HIS A 96 8.069 -8.021 23.553 1.00 24.28 C ATOM 733 ND1 HIS A 96 6.908 -7.555 22.980 1.00 23.93 N ATOM 734 CD2 HIS A 96 8.082 -9.359 23.345 1.00 24.10 C ATOM 735 CE1 HIS A 96 6.248 -8.565 22.443 1.00 25.02 C ATOM 736 NE2 HIS A 96 6.940 -9.671 22.651 1.00 24.94 N ATOM 737 H HIS A 96 9.293 -8.974 25.911 1.00 0.00 H ATOM 738 N ARG A 97 11.517 -6.271 26.058 1.00 22.40 N ATOM 739 CA ARG A 97 12.527 -5.266 26.402 1.00 22.17 C ATOM 740 C ARG A 97 13.914 -5.825 26.120 1.00 20.95 C ATOM 741 O ARG A 97 14.767 -5.141 25.586 1.00 21.43 O ATOM 742 CB ARG A 97 12.448 -4.877 27.875 1.00 22.98 C ATOM 743 CG ARG A 97 11.101 -4.409 28.336 1.00 25.27 C ATOM 744 CD ARG A 97 11.168 -4.183 29.840 1.00 27.44 C ATOM 745 NE ARG A 97 9.880 -3.778 30.385 1.00 29.34 N ATOM 746 CZ ARG A 97 9.662 -3.413 31.648 1.00 29.92 C ATOM 747 NH1 ARG A 97 10.660 -3.370 32.528 1.00 29.85 N ATOM 748 NH2 ARG A 97 8.407 -3.216 32.073 1.00 31.66 N ATOM 749 HE ARG A 97 9.066 -3.773 29.738 1.00 0.00 H ATOM 750 HH12 ARG A 97 10.475 -3.083 33.510 1.00 0.00 H ATOM 751 HH11 ARG A 97 11.625 -3.623 32.233 1.00 0.00 H ATOM 752 HH22 ARG A 97 8.230 -2.931 33.057 1.00 0.00 H ATOM 753 HH21 ARG A 97 7.610 -3.348 31.419 1.00 0.00 H ATOM 754 H ARG A 97 10.855 -6.618 26.781 1.00 0.00 H ATOM 755 N LYS A 98 14.142 -7.081 26.487 1.00 21.37 N ATOM 756 CA LYS A 98 15.449 -7.689 26.249 1.00 20.97 C ATOM 757 C LYS A 98 15.737 -7.802 24.768 1.00 20.70 C ATOM 758 O LYS A 98 16.864 -7.629 24.340 1.00 20.41 O ATOM 759 CB LYS A 98 15.525 -9.085 26.838 1.00 23.32 C ATOM 760 CG LYS A 98 15.389 -9.102 28.319 1.00 26.42 C ATOM 761 CD LYS A 98 15.596 -10.497 28.854 1.00 28.37 C ATOM 762 CE LYS A 98 15.481 -10.516 30.362 1.00 30.03 C ATOM 763 NZ LYS A 98 15.784 -11.879 30.884 1.00 32.50 N ATOM 764 HZ1 LYS A 98 15.109 -12.561 30.482 1.00 0.00 H ATOM 765 HZ2 LYS A 98 16.752 -12.146 30.612 1.00 0.00 H ATOM 766 HZ3 LYS A 98 15.701 -11.878 31.921 1.00 0.00 H ATOM 767 H LYS A 98 13.389 -7.633 26.945 1.00 0.00 H ATOM 768 N ILE A 99 14.707 -8.126 23.997 1.00 18.62 N ATOM 769 CA ILE A 99 14.868 -8.276 22.560 1.00 19.74 C ATOM 770 C ILE A 99 15.245 -6.940 21.924 1.00 18.54 C ATOM 771 O ILE A 99 16.151 -6.880 21.105 1.00 18.70 O ATOM 772 CB ILE A 99 13.578 -8.845 21.914 1.00 21.27 C ATOM 773 CG1 ILE A 99 13.366 -10.289 22.388 1.00 20.17 C ATOM 774 CG2 ILE A 99 13.677 -8.796 20.392 1.00 20.82 C ATOM 775 CD1 ILE A 99 12.012 -10.882 22.017 1.00 18.51 C ATOM 776 H ILE A 99 13.772 -8.275 24.427 1.00 0.00 H ATOM 777 N TYR A 100 14.555 -5.870 22.319 1.00 18.87 N ATOM 778 CA TYR A 100 14.844 -4.538 21.785 1.00 18.52 C ATOM 779 C TYR A 100 16.308 -4.171 22.035 1.00 18.82 C ATOM 780 O TYR A 100 16.962 -3.588 21.191 1.00 19.80 O ATOM 781 CB TYR A 100 13.922 -3.485 22.433 1.00 17.39 C ATOM 782 CG TYR A 100 12.590 -3.309 21.736 1.00 18.31 C ATOM 783 CD1 TYR A 100 12.524 -2.813 20.434 1.00 18.93 C ATOM 784 CD2 TYR A 100 11.395 -3.670 22.362 1.00 20.15 C ATOM 785 CE1 TYR A 100 11.308 -2.692 19.768 1.00 19.35 C ATOM 786 CE2 TYR A 100 10.173 -3.548 21.703 1.00 21.38 C ATOM 787 CZ TYR A 100 10.137 -3.060 20.409 1.00 21.97 C ATOM 788 OH TYR A 100 8.930 -2.951 19.755 1.00 23.64 O ATOM 789 HH TYR A 100 8.336 -2.342 20.261 1.00 0.00 H ATOM 790 H TYR A 100 13.796 -5.984 23.021 1.00 0.00 H ATOM 791 N THR A 101 16.819 -4.525 23.208 1.00 20.48 N ATOM 792 CA THR A 101 18.204 -4.215 23.537 1.00 20.37 C ATOM 793 C THR A 101 19.170 -4.948 22.610 1.00 21.15 C ATOM 794 O THR A 101 20.120 -4.364 22.098 1.00 22.14 O ATOM 795 CB THR A 101 18.510 -4.585 24.998 1.00 21.81 C ATOM 796 OG1 THR A 101 17.665 -3.817 25.867 1.00 22.66 O ATOM 797 CG2 THR A 101 19.953 -4.294 25.328 1.00 21.45 C ATOM 798 HG1 THR A 101 17.860 -4.053 26.808 1.00 0.00 H ATOM 799 H THR A 101 16.225 -5.028 23.898 1.00 0.00 H ATOM 800 N MET A 102 18.919 -6.232 22.390 1.00 20.61 N ATOM 801 CA MET A 102 19.778 -7.017 21.510 1.00 20.90 C ATOM 802 C MET A 102 19.725 -6.472 20.090 1.00 20.94 C ATOM 803 O MET A 102 20.734 -6.420 19.407 1.00 20.84 O ATOM 804 CB MET A 102 19.356 -8.486 21.522 1.00 21.46 C ATOM 805 CG MET A 102 19.611 -9.157 22.853 1.00 22.88 C ATOM 806 SD MET A 102 19.224 -10.890 22.892 1.00 25.02 S ATOM 807 CE MET A 102 17.458 -10.850 22.943 1.00 24.57 C ATOM 808 H MET A 102 18.102 -6.683 22.849 1.00 0.00 H ATOM 809 N ILE A 103 18.542 -6.058 19.647 1.00 20.72 N ATOM 810 CA ILE A 103 18.416 -5.524 18.294 1.00 22.03 C ATOM 811 C ILE A 103 19.233 -4.244 18.149 1.00 24.35 C ATOM 812 O ILE A 103 19.998 -4.095 17.220 1.00 23.88 O ATOM 813 CB ILE A 103 16.949 -5.229 17.941 1.00 21.69 C ATOM 814 CG1 ILE A 103 16.177 -6.544 17.820 1.00 22.29 C ATOM 815 CG2 ILE A 103 16.866 -4.458 16.625 1.00 22.51 C ATOM 816 CD1 ILE A 103 14.686 -6.368 17.584 1.00 20.92 C ATOM 817 H ILE A 103 17.707 -6.114 20.264 1.00 0.00 H ATOM 818 N TYR A 104 19.072 -3.326 19.092 1.00 25.35 N ATOM 819 CA TYR A 104 19.804 -2.065 19.036 1.00 27.95 C ATOM 820 C TYR A 104 21.334 -2.214 18.948 1.00 28.09 C ATOM 821 O TYR A 104 22.012 -1.320 18.469 1.00 27.48 O ATOM 822 CB TYR A 104 19.390 -1.183 20.220 1.00 28.90 C ATOM 823 CG TYR A 104 18.160 -0.338 19.910 1.00 29.68 C ATOM 824 CD1 TYR A 104 16.996 -0.915 19.390 1.00 31.55 C ATOM 825 CD2 TYR A 104 18.179 1.044 20.079 1.00 30.91 C ATOM 826 CE1 TYR A 104 15.893 -0.134 19.044 1.00 31.19 C ATOM 827 CE2 TYR A 104 17.077 1.829 19.734 1.00 30.88 C ATOM 828 CZ TYR A 104 15.946 1.239 19.219 1.00 32.19 C ATOM 829 OH TYR A 104 14.874 2.029 18.854 1.00 34.00 O ATOM 830 HH TYR A 104 14.147 1.455 18.505 1.00 0.00 H ATOM 831 H TYR A 104 18.417 -3.507 19.880 1.00 0.00 H ATOM 832 N ARG A 105 21.862 -3.355 19.383 1.00 29.69 N ATOM 833 CA ARG A 105 23.304 -3.618 19.344 1.00 29.73 C ATOM 834 C ARG A 105 23.760 -3.654 17.898 1.00 29.20 C ATOM 835 O ARG A 105 24.937 -3.470 17.592 1.00 29.50 O ATOM 836 CB ARG A 105 23.641 -4.999 19.924 1.00 33.63 C ATOM 837 CG ARG A 105 22.793 -5.484 21.090 1.00 37.18 C ATOM 838 CD ARG A 105 23.498 -6.638 21.799 1.00 40.62 C ATOM 839 NE ARG A 105 24.219 -7.503 20.870 1.00 43.68 N ATOM 840 CZ ARG A 105 25.286 -8.227 21.209 1.00 44.77 C ATOM 841 NH1 ARG A 105 25.753 -8.188 22.454 1.00 45.38 N ATOM 842 NH2 ARG A 105 25.888 -8.996 20.311 1.00 45.53 N ATOM 843 HE ARG A 105 23.881 -7.558 19.888 1.00 0.00 H ATOM 844 HH12 ARG A 105 26.586 -8.754 22.715 1.00 0.00 H ATOM 845 HH11 ARG A 105 25.286 -7.592 23.166 1.00 0.00 H ATOM 846 HH22 ARG A 105 26.720 -9.558 20.582 1.00 0.00 H ATOM 847 HH21 ARG A 105 25.528 -9.037 19.336 1.00 0.00 H ATOM 848 H ARG A 105 21.229 -4.087 19.764 1.00 0.00 H ATOM 849 N ASN A 106 22.805 -3.924 17.020 1.00 26.87 N ATOM 850 CA ASN A 106 23.065 -4.078 15.600 1.00 26.31 C ATOM 851 C ASN A 106 22.513 -2.987 14.694 1.00 24.67 C ATOM 852 O ASN A 106 22.355 -3.200 13.515 1.00 23.16 O ATOM 853 CB ASN A 106 22.506 -5.430 15.163 1.00 27.55 C ATOM 854 CG ASN A 106 23.160 -6.585 15.891 1.00 29.42 C ATOM 855 OD1 ASN A 106 24.320 -6.886 15.661 1.00 29.96 O ATOM 856 ND2 ASN A 106 22.413 -7.228 16.790 1.00 29.75 N ATOM 857 HD22 ASN A 106 21.428 -6.936 16.952 1.00 0.00 H ATOM 858 HD21 ASN A 106 22.815 -8.022 17.329 1.00 0.00 H ATOM 859 H ASN A 106 21.829 -4.030 17.362 1.00 0.00 H ATOM 860 N LEU A 107 22.237 -1.815 15.246 1.00 25.10 N ATOM 861 CA LEU A 107 21.712 -0.734 14.430 1.00 25.74 C ATOM 862 C LEU A 107 22.059 0.648 14.972 1.00 27.03 C ATOM 863 O LEU A 107 22.573 0.786 16.086 1.00 27.09 O ATOM 864 CB LEU A 107 20.189 -0.880 14.290 1.00 25.69 C ATOM 865 CG LEU A 107 19.342 -0.943 15.569 1.00 25.68 C ATOM 866 CD1 LEU A 107 19.237 0.445 16.176 1.00 24.98 C ATOM 867 CD2 LEU A 107 17.946 -1.462 15.244 1.00 26.40 C ATOM 868 H LEU A 107 22.396 -1.669 16.263 1.00 0.00 H ATOM 869 N VAL A 108 21.792 1.661 14.157 1.00 27.62 N ATOM 870 CA VAL A 108 22.036 3.050 14.514 1.00 29.57 C ATOM 871 C VAL A 108 20.724 3.800 14.316 1.00 29.27 C ATOM 872 O VAL A 108 20.078 3.674 13.283 1.00 28.90 O ATOM 873 CB VAL A 108 23.126 3.684 13.612 1.00 30.26 C ATOM 874 CG1 VAL A 108 23.311 5.144 13.968 1.00 30.06 C ATOM 875 CG2 VAL A 108 24.427 2.918 13.755 1.00 31.15 C ATOM 876 H VAL A 108 21.390 1.452 13.221 1.00 0.00 H ATOM 877 N VAL A 109 20.325 4.568 15.320 1.00 29.67 N ATOM 878 CA VAL A 109 19.091 5.322 15.243 1.00 30.48 C ATOM 879 C VAL A 109 19.231 6.562 14.368 1.00 31.58 C ATOM 880 O VAL A 109 20.233 7.276 14.432 1.00 31.90 O ATOM 881 CB VAL A 109 18.611 5.766 16.641 1.00 30.33 C ATOM 882 CG1 VAL A 109 17.372 6.629 16.504 1.00 30.85 C ATOM 883 CG2 VAL A 109 18.309 4.547 17.500 1.00 31.05 C ATOM 884 H VAL A 109 20.909 4.630 16.179 1.00 0.00 H ATOM 885 N VAL A 110 18.212 6.796 13.549 1.00 31.99 N ATOM 886 CA VAL A 110 18.178 7.944 12.653 1.00 33.23 C ATOM 887 C VAL A 110 17.424 9.079 13.314 1.00 34.47 C ATOM 888 O VAL A 110 16.178 8.974 13.404 1.00 35.01 O ATOM 889 CB VAL A 110 17.484 7.602 11.334 1.00 32.53 C ATOM 890 CG1 VAL A 110 17.414 8.844 10.455 1.00 31.92 C ATOM 891 CG2 VAL A 110 18.247 6.494 10.625 1.00 32.12 C ATOM 892 H VAL A 110 17.409 6.135 13.547 1.00 0.00 H TER 893 VAL A 110 HETATM 894 O HOH 1 12.063 -8.463 29.310 1.00 29.47 O HETATM 895 O HOH 2 6.656 1.156 8.915 1.00 24.79 O HETATM 896 O HOH 3 6.224 -5.470 12.963 1.00 23.81 O HETATM 897 O HOH 4 3.237 0.457 7.409 1.00 27.62 O HETATM 898 O HOH 5 5.820 -0.589 20.429 1.00 32.11 O HETATM 899 O HOH 6 16.857 -4.590 28.317 1.00 30.34 O HETATM 900 O HOH 7 14.889 -5.129 30.510 1.00 31.09 O HETATM 901 O HOH 8 16.521 -3.033 -2.662 1.00 33.42 O HETATM 902 O HOH 9 24.465 -5.914 12.995 1.00 41.78 O HETATM 903 O HOH 10 5.906 -5.326 22.837 1.00 35.38 O HETATM 904 O HOH 11 12.005 -3.406 2.436 1.00 26.94 O HETATM 905 O HOH 12 3.542 5.475 22.522 1.00 20.01 O HETATM 906 O HOH 13 14.872 -13.715 26.627 1.00 32.87 O HETATM 907 O HOH 14 7.519 7.705 17.465 1.00 32.10 O HETATM 908 O HOH 15 3.827 -10.767 24.009 1.00 27.75 O HETATM 909 O HOH 16 13.398 7.948 14.636 1.00 28.03 O HETATM 910 O HOH 17 3.020 2.175 16.597 1.00 34.02 O HETATM 911 O HOH 18 7.392 -23.439 24.819 1.00 37.50 O HETATM 912 O HOH 19 11.027 -21.259 4.703 1.00 33.91 O HETATM 913 O HOH 20 22.104 -2.741 22.717 1.00 30.44 O HETATM 914 O HOH 21 18.787 -6.552 28.444 1.00 33.90 O HETATM 915 O HOH 22 24.225 2.218 10.822 1.00 35.35 O HETATM 916 O HOH 23 13.216 -4.000 32.254 1.00 30.45 O HETATM 917 O HOH 24 5.597 -4.890 15.570 1.00 34.01 O HETATM 918 O HOH 25 9.881 -23.456 24.403 1.00 35.49 O HETATM 919 O HOH 26 11.153 -22.695 19.528 1.00 32.69 O HETATM 920 O HOH 27 4.240 -16.107 17.824 1.00 25.62 O HETATM 921 O HOH 28 18.934 -7.936 26.219 1.00 33.84 O HETATM 922 O HOH 29 5.693 -28.145 17.039 1.00 58.59 O HETATM 923 O HOH 30 6.682 -3.267 20.960 1.00 36.53 O HETATM 924 O HOH 31 5.693 5.154 10.637 1.00 27.78 O HETATM 925 O HOH 32 21.367 -10.811 2.377 1.00 41.31 O HETATM 926 O HOH 33 21.751 0.324 7.012 1.00 30.46 O HETATM 927 O HOH 34 7.980 6.294 11.274 1.00 36.44 O HETATM 928 O HOH 35 29.415 -2.961 15.841 1.00 41.87 O HETATM 929 O HOH 36 17.119 -6.727 -1.480 1.00 37.21 O HETATM 930 O HOH 37 5.478 -25.074 20.389 1.00 37.91 O HETATM 931 O HOH 38 11.608 3.480 4.212 1.00 36.15 O HETATM 932 O HOH 39 16.312 13.419 12.858 1.00 46.45 O HETATM 933 O HOH 40 4.397 -3.509 26.440 1.00 46.29 O HETATM 934 O HOH 41 18.309 -4.840 -2.976 1.00 42.32 O HETATM 935 O HOH 42 -2.090 -1.171 8.544 1.00 46.02 O HETATM 936 O HOH 43 5.882 2.579 11.551 1.00 34.53 O HETATM 937 O HOH 44 9.017 -7.242 28.067 1.00 33.57 O HETATM 938 O HOH 45 4.108 -16.406 20.428 1.00 31.78 O HETATM 939 O HOH 46 3.973 0.134 32.607 1.00 58.92 O HETATM 940 O HOH 47 6.322 -5.490 29.007 1.00 34.68 O HETATM 941 O HOH 48 27.276 -5.686 12.465 1.00 39.39 O HETATM 942 O HOH 49 7.422 -24.779 22.414 1.00 42.50 O HETATM 943 O HOH 50 3.826 -6.308 17.317 1.00 42.84 O HETATM 944 O HOH 51 10.157 6.346 18.537 1.00 31.99 O HETATM 945 O HOH 52 10.066 -24.561 20.928 1.00 68.48 O HETATM 946 O HOH 53 2.620 -8.877 17.823 1.00 49.89 O HETATM 947 O HOH 54 28.910 -0.709 17.349 1.00 39.42 O HETATM 948 O HOH 55 18.949 -15.347 26.363 1.00 30.97 O HETATM 949 O HOH 56 13.748 -26.958 13.760 1.00 37.77 O HETATM 950 O HOH 57 3.126 -8.798 21.021 1.00 47.50 O HETATM 951 O HOH 58 19.660 -23.022 20.956 1.00 43.58 O HETATM 952 O HOH 59 23.416 -10.331 24.290 1.00 35.12 O HETATM 953 O HOH 60 9.247 -16.642 28.909 1.00 50.44 O HETATM 954 O HOH 61 17.662 -12.901 26.590 1.00 40.52 O HETATM 955 O HOH 62 19.753 11.546 9.556 1.00 42.88 O HETATM 956 O HOH 63 5.632 -9.840 26.144 1.00 47.39 O HETATM 957 O HOH 64 8.180 -22.609 13.133 1.00 44.73 O HETATM 958 O HOH 65 27.388 -3.987 19.618 1.00 46.19 O HETATM 959 O HOH 66 19.078 -10.754 26.293 1.00 45.70 O HETATM 960 O HOH 67 21.646 -7.488 24.733 1.00 34.75 O HETATM 961 O HOH 68 3.508 -6.101 21.087 1.00 48.25 O HETATM 962 O HOH 69 16.919 -23.212 10.125 1.00 35.48 O HETATM 963 O HOH 70 22.077 4.278 17.620 1.00 44.54 O HETATM 964 O HOH 71 8.632 -20.951 26.840 1.00 40.24 O HETATM 965 O HOH 72 5.762 -21.797 11.472 1.00 40.61 O HETATM 966 O HOH 73 19.907 11.079 15.921 1.00 59.24 O HETATM 967 O HOH 74 22.323 -10.558 26.763 1.00 54.26 O HETATM 968 O HOH 75 8.204 -24.924 27.549 1.00 47.26 O HETATM 969 O HOH 76 23.344 -5.699 25.681 1.00 62.56 O HETATM 970 O HOH 77 19.353 -22.187 11.292 1.00 41.10 O HETATM 971 O HOH 78 2.223 0.028 14.407 1.00 39.18 O HETATM 972 CL1 UNN A 79 13.744 -10.927 17.296 1.00 -0.08 CL HETATM 973 C9 UNN A 79 12.059 -11.027 17.348 1.00 0.03 C HETATM 974 C24 UNN A 79 11.466 -11.910 18.247 1.00 -0.05 C HETATM 975 C25 UNN A 79 10.065 -11.964 18.292 1.00 -0.06 C HETATM 976 C6 UNN A 79 9.298 -11.146 17.448 1.00 -0.01 C HETATM 977 C28 UNN A 79 9.926 -10.266 16.544 1.00 -0.06 C HETATM 978 C27 UNN A 79 11.332 -10.197 16.486 1.00 -0.05 C HETATM 979 H UNN A 79 11.833 -9.525 15.799 1.00 0.06 H HETATM 980 H UNN A 79 9.326 -9.641 15.892 1.00 0.06 H HETATM 981 C7 UNN A 79 7.801 -11.188 17.540 1.00 0.09 C HETATM 982 N2 UNN A 79 7.105 -12.423 17.036 1.00 -0.24 N HETATM 983 C8 UNN A 79 7.633 -13.103 15.845 1.00 0.09 C HETATM 984 C10 UNN A 79 7.714 -14.631 15.909 1.00 -0.02 C HETATM 985 C23 UNN A 79 8.782 -15.127 16.879 1.00 -0.06 C HETATM 986 H UNN A 79 8.793 -16.227 16.882 1.00 0.02 H HETATM 987 H UNN A 79 8.557 -14.760 17.891 1.00 0.02 H HETATM 988 H UNN A 79 9.767 -14.752 16.564 1.00 0.02 H HETATM 989 H UNN A 79 7.947 -15.013 14.904 1.00 0.03 H HETATM 990 H UNN A 79 6.738 -15.021 16.232 1.00 0.03 H HETATM 991 C5 UNN A 79 6.889 -12.596 14.596 1.00 0.04 C HETATM 992 C4 UNN A 79 6.574 -13.400 13.471 1.00 -0.04 C HETATM 993 C31 UNN A 79 5.909 -12.786 12.395 1.00 -0.06 C HETATM 994 C30 UNN A 79 5.572 -11.429 12.441 1.00 -0.04 C HETATM 995 C29 UNN A 79 5.907 -10.687 13.582 1.00 0.03 C HETATM 996 N1 UNN A 79 6.552 -11.283 14.621 1.00 -0.30 N HETATM 997 C3 UNN A 79 5.521 -9.222 13.622 1.00 0.05 C HETATM 998 C1 UNN A 79 5.333 -8.617 14.970 1.00 -0.06 C HETATM 999 C2 UNN A 79 6.529 -8.272 14.154 1.00 -0.06 C HETATM 1000 H UNN A 79 7.462 -7.723 14.035 1.00 0.06 H HETATM 1001 H UNN A 79 4.749 -8.508 15.883 1.00 0.06 H HETATM 1002 H UNN A 79 4.872 -8.955 12.775 1.00 0.06 H HETATM 1003 H UNN A 79 5.061 -10.959 11.608 1.00 0.06 H HETATM 1004 H UNN A 79 5.654 -13.371 11.519 1.00 0.07 H HETATM 1005 H UNN A 79 6.837 -14.451 13.442 1.00 0.06 H HETATM 1006 H UNN A 79 8.675 -12.765 15.746 1.00 0.08 H HETATM 1007 C11 UNN A 79 5.956 -12.911 17.604 1.00 0.21 C HETATM 1008 O1 UNN A 79 5.323 -13.814 17.075 1.00 -0.34 O HETATM 1009 C12 UNN A 79 5.405 -12.326 18.908 1.00 0.06 C HETATM 1010 C13 UNN A 79 5.894 -13.164 20.107 1.00 0.01 C HETATM 1011 C14 UNN A 79 5.175 -12.797 21.380 1.00 0.03 C HETATM 1012 O2 UNN A 79 5.364 -11.858 22.115 1.00 -0.57 O HETATM 1013 O3 UNN A 79 4.233 -13.761 21.554 1.00 -0.57 O HETATM 1014 H UNN A 79 6.972 -12.992 20.245 1.00 0.04 H HETATM 1015 H UNN A 79 5.717 -14.228 19.893 1.00 0.04 H HETATM 1016 C15 UNN A 79 5.787 -10.883 19.116 1.00 -0.02 C HETATM 1017 C16 UNN A 79 7.256 -10.614 18.879 1.00 0.03 C HETATM 1018 C17 UNN A 79 7.619 -9.162 19.114 1.00 -0.04 C HETATM 1019 C18 UNN A 79 6.866 -8.117 18.538 1.00 -0.06 C HETATM 1020 C19 UNN A 79 7.235 -6.759 18.713 1.00 -0.07 C HETATM 1021 C20 UNN A 79 8.363 -6.427 19.469 1.00 -0.05 C HETATM 1022 C21 UNN A 79 9.106 -7.468 20.042 1.00 0.03 C HETATM 1023 CL2 UNN A 79 10.502 -7.112 20.964 1.00 -0.07 CL HETATM 1024 C22 UNN A 79 8.754 -8.820 19.882 1.00 -0.05 C HETATM 1025 H UNN A 79 9.351 -9.597 20.346 1.00 0.06 H HETATM 1026 H UNN A 79 8.655 -5.392 19.608 1.00 0.06 H HETATM 1027 H UNN A 79 6.640 -5.975 18.259 1.00 0.06 H HETATM 1028 H UNN A 79 5.988 -8.357 17.950 1.00 0.06 H HETATM 1029 H UNN A 79 7.783 -11.176 19.664 1.00 0.05 H HETATM 1030 H UNN A 79 5.543 -10.603 20.151 1.00 0.03 H HETATM 1031 H UNN A 79 5.202 -10.263 18.421 1.00 0.03 H HETATM 1032 C26 UNN A 79 3.866 -12.272 18.767 1.00 -0.05 C HETATM 1033 H UNN A 79 3.476 -13.289 18.609 1.00 0.02 H HETATM 1034 H UNN A 79 3.598 -11.639 17.908 1.00 0.02 H HETATM 1035 H UNN A 79 3.428 -11.850 19.684 1.00 0.02 H HETATM 1036 H UNN A 79 7.494 -10.432 16.803 1.00 0.08 H HETATM 1037 H UNN A 79 9.573 -12.640 18.982 1.00 0.06 H HETATM 1038 H UNN A 79 12.069 -12.537 18.893 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 516 517 526 527 528 CONECT 526 516 CONECT 527 516 CONECT 528 516 CONECT 972 973 CONECT 973 972 974 978 CONECT 974 973 975 1038 CONECT 975 974 976 1037 CONECT 976 975 977 981 CONECT 977 976 978 980 CONECT 978 973 977 979 CONECT 979 978 CONECT 980 977 CONECT 981 976 982 1017 1036 CONECT 982 981 983 1007 CONECT 983 982 984 991 1006 CONECT 984 983 985 989 990 CONECT 985 984 986 987 988 CONECT 986 985 CONECT 987 985 CONECT 988 985 CONECT 989 984 CONECT 990 984 CONECT 991 983 992 996 CONECT 992 991 993 1005 CONECT 993 992 994 1004 CONECT 994 993 995 1003 CONECT 995 994 996 997 CONECT 996 991 995 CONECT 997 995 998 999 1002 CONECT 998 997 999 1001 CONECT 999 997 998 1000 CONECT 1000 999 CONECT 1001 998 CONECT 1002 997 CONECT 1003 994 CONECT 1004 993 CONECT 1005 992 CONECT 1006 983 CONECT 1007 982 1008 1009 CONECT 1008 1007 CONECT 1009 1007 1010 1016 1032 CONECT 1010 1009 1011 1014 1015 CONECT 1011 1010 1012 1013 CONECT 1012 1011 CONECT 1013 1011 CONECT 1014 1010 CONECT 1015 1010 CONECT 1016 1009 1017 1030 1031 CONECT 1017 981 1016 1018 1029 CONECT 1018 1017 1019 1024 CONECT 1019 1018 1020 1028 CONECT 1020 1019 1021 1027 CONECT 1021 1020 1022 1026 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1018 1022 1025 CONECT 1025 1024 CONECT 1026 1021 CONECT 1027 1020 CONECT 1028 1019 CONECT 1029 1017 CONECT 1030 1016 CONECT 1031 1016 CONECT 1032 1009 1033 1034 1035 CONECT 1033 1032 CONECT 1034 1032 CONECT 1035 1032 CONECT 1036 981 CONECT 1037 975 CONECT 1038 974 MASTER 0 0 0 0 0 0 0 0 1036 2 75 7 END
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Related entries of code: 4qo4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
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PDBbind
115aa, >2AXI_1|Chain... at 95%
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PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
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3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
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
4qo4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase MDM2
Ligand Name
35S
EC.Number
E.C.6.3.2
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
IC50=5nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) ACS Med Chem Lett Vol. 5: pp. 894-899
Ligand Properties
Formula
C
3
1
H
3
0
Cl
2
N
2
O
3
Molecular Weight
549.487
Exact Mass
548.163
No. of atoms
68
No. of bonds
72
Polar Surface Area
70.5
LOGP Value
7.70 (
Computed with XLOGP3
)
7.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
CC[C@H](N1[C@H](c2ccc(cc2)Cl)[C@H](C[C@](C1=O)(C)CC(=O)O)c1cccc(c1)Cl)c1cccc(n1)[C@@H]1C=C1
InChI String
InChI=1S/C31H30Cl2N2O3/c1-3-27(26-9-5-8-25(34-26)19-10-11-19)35-29(20-12-14-22(32)15-13-20)24(21-6-4-7-23(33)16-21)17-31(2,30(35)38)18-28(36)37/h4-16,19,24,27,29H,3,17-18H2,1-2H3,(H,36,37)/t24-,27+,29-,31-/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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