Browse entries in the PDBbind-CN Database
HEADER 5LAW_COMPLEX COMPND 5LAW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 94 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 94 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 94 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 94 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 94 GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU SEQRES 7 A 94 HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL SEQRES 8 A 94 VAL VAL ASN HET UNN A 138 59 ATOM 1 N GLN A 18 -0.514 7.715 -12.132 1.00 44.22 N ATOM 2 CA GLN A 18 -0.543 6.436 -11.359 1.00 40.15 C ATOM 3 C GLN A 18 0.623 6.378 -10.349 1.00 35.04 C ATOM 4 O GLN A 18 1.796 6.509 -10.718 1.00 36.92 O ATOM 5 CB GLN A 18 -0.526 5.238 -12.316 1.00 40.02 C ATOM 6 CG GLN A 18 -0.734 3.880 -11.657 1.00 42.06 C ATOM 7 CD GLN A 18 -2.062 3.758 -10.937 1.00 43.27 C ATOM 8 OE1 GLN A 18 -2.102 3.555 -9.726 1.00 45.14 O ATOM 9 NE2 GLN A 18 -3.154 3.894 -11.676 1.00 43.66 N ATOM 10 HE22 GLN A 18 -3.072 4.065 -12.699 1.00 0.00 H ATOM 11 HE21 GLN A 18 -4.093 3.830 -11.233 1.00 0.00 H ATOM 12 HN3 GLN A 18 0.384 7.784 -12.652 1.00 0.00 H ATOM 13 HN2 GLN A 18 -0.599 8.517 -11.476 1.00 0.00 H ATOM 14 HN1 GLN A 18 -1.307 7.730 -12.804 1.00 0.00 H ATOM 15 N ILE A 19 0.276 6.150 -9.084 1.00 29.29 N ATOM 16 CA ILE A 19 1.189 6.321 -7.956 1.00 22.80 C ATOM 17 C ILE A 19 1.688 4.952 -7.455 1.00 19.41 C ATOM 18 O ILE A 19 0.881 4.139 -7.015 1.00 22.35 O ATOM 19 CB ILE A 19 0.488 7.034 -6.779 1.00 23.07 C ATOM 20 CG1 ILE A 19 -0.370 8.232 -7.251 1.00 24.91 C ATOM 21 CG2 ILE A 19 1.517 7.476 -5.740 1.00 16.21 C ATOM 22 CD1 ILE A 19 0.376 9.298 -8.035 1.00 23.60 C ATOM 23 H ILE A 19 -0.695 5.834 -8.889 1.00 0.00 H ATOM 24 N PRO A 20 3.014 4.700 -7.486 1.00 13.29 N ATOM 25 CA PRO A 20 3.502 3.427 -6.937 1.00 11.25 C ATOM 26 C PRO A 20 3.301 3.333 -5.420 1.00 11.21 C ATOM 27 O PRO A 20 3.331 4.344 -4.735 1.00 9.68 O ATOM 28 CB PRO A 20 4.988 3.449 -7.270 1.00 10.73 C ATOM 29 CG PRO A 20 5.346 4.886 -7.311 1.00 12.72 C ATOM 30 CD PRO A 20 4.132 5.591 -7.857 1.00 13.60 C ATOM 31 N ALA A 21 3.112 2.111 -4.927 1.00 13.85 N ATOM 32 CA ALA A 21 2.865 1.839 -3.494 1.00 14.00 C ATOM 33 C ALA A 21 3.988 2.303 -2.588 1.00 11.65 C ATOM 34 O ALA A 21 3.736 2.688 -1.460 1.00 14.90 O ATOM 35 CB ALA A 21 2.650 0.345 -3.273 1.00 15.42 C ATOM 36 H ALA A 21 3.139 1.305 -5.584 1.00 0.00 H ATOM 37 N SER A 22 5.224 2.245 -3.084 1.00 10.55 N ATOM 38 CA SER A 22 6.407 2.721 -2.343 1.00 11.10 C ATOM 39 C SER A 22 6.379 4.181 -1.920 1.00 10.28 C ATOM 40 O SER A 22 7.080 4.555 -0.981 1.00 9.88 O ATOM 41 CB SER A 22 7.674 2.475 -3.184 1.00 11.37 C ATOM 42 OG SER A 22 7.593 3.174 -4.426 1.00 8.70 O ATOM 43 HG SER A 22 8.414 3.005 -4.953 1.00 0.00 H ATOM 44 H SER A 22 5.360 1.847 -4.035 1.00 0.00 H ATOM 45 N GLU A 23 5.594 5.017 -2.607 1.00 8.94 N ATOM 46 CA GLU A 23 5.527 6.450 -2.275 1.00 10.61 C ATOM 47 C GLU A 23 5.124 6.669 -0.812 1.00 10.06 C ATOM 48 O GLU A 23 5.657 7.565 -0.128 1.00 8.55 O ATOM 49 CB GLU A 23 4.594 7.191 -3.242 1.00 12.41 C ATOM 50 CG GLU A 23 4.197 8.631 -2.852 1.00 14.47 C ATOM 51 CD GLU A 23 5.372 9.605 -2.709 1.00 16.11 C ATOM 52 OE1 GLU A 23 6.485 9.277 -3.112 1.00 21.22 O ATOM 53 OE2 GLU A 23 5.198 10.715 -2.158 1.00 20.86 O ATOM 54 H GLU A 23 5.019 4.648 -3.391 1.00 0.00 H ATOM 55 N GLN A 24 4.191 5.851 -0.339 1.00 11.87 N ATOM 56 CA GLN A 24 3.683 5.949 1.033 1.00 15.25 C ATOM 57 C GLN A 24 4.782 5.755 2.106 1.00 15.26 C ATOM 58 O GLN A 24 4.643 6.273 3.228 1.00 14.13 O ATOM 59 CB GLN A 24 2.523 4.942 1.250 1.00 22.79 C ATOM 60 CG GLN A 24 2.904 3.509 1.626 1.00 28.66 C ATOM 61 CD GLN A 24 1.713 2.545 1.618 1.00 41.49 C ATOM 62 OE1 GLN A 24 0.843 2.614 2.491 1.00 49.31 O ATOM 63 NE2 GLN A 24 1.680 1.628 0.640 1.00 34.79 N ATOM 64 HE22 GLN A 24 2.434 1.604 -0.076 1.00 0.00 H ATOM 65 HE21 GLN A 24 0.901 0.940 0.598 1.00 0.00 H ATOM 66 H GLN A 24 3.807 5.114 -0.964 1.00 0.00 H ATOM 67 N GLU A 25 5.849 5.024 1.758 1.00 10.15 N ATOM 68 CA GLU A 25 6.965 4.762 2.666 1.00 12.69 C ATOM 69 C GLU A 25 7.938 5.925 2.797 1.00 10.69 C ATOM 70 O GLU A 25 8.786 5.890 3.679 1.00 12.41 O ATOM 71 CB GLU A 25 7.761 3.525 2.221 1.00 15.97 C ATOM 72 CG GLU A 25 7.012 2.223 2.396 1.00 20.71 C ATOM 73 CD GLU A 25 7.784 1.023 1.880 1.00 27.86 C ATOM 74 OE1 GLU A 25 9.028 0.964 1.983 1.00 40.72 O ATOM 75 OE2 GLU A 25 7.129 0.112 1.372 1.00 37.97 O ATOM 76 H GLU A 25 5.885 4.625 0.798 1.00 0.00 H ATOM 77 N THR A 26 7.814 6.945 1.938 1.00 9.36 N ATOM 78 CA THR A 26 8.768 8.055 1.886 1.00 8.86 C ATOM 79 C THR A 26 8.777 8.804 3.226 1.00 6.77 C ATOM 80 O THR A 26 7.720 9.143 3.726 1.00 6.89 O ATOM 81 CB THR A 26 8.379 9.031 0.761 1.00 11.29 C ATOM 82 OG1 THR A 26 8.432 8.329 -0.480 1.00 11.10 O ATOM 83 CG2 THR A 26 9.314 10.224 0.728 1.00 9.88 C ATOM 84 HG1 THR A 26 7.798 7.569 -0.455 1.00 0.00 H ATOM 85 H THR A 26 7.008 6.949 1.281 1.00 0.00 H ATOM 86 N LEU A 27 9.965 9.011 3.805 1.00 7.31 N ATOM 87 CA LEU A 27 10.094 9.704 5.108 1.00 7.32 C ATOM 88 C LEU A 27 10.298 11.193 4.848 1.00 7.25 C ATOM 89 O LEU A 27 11.097 11.569 3.960 1.00 6.09 O ATOM 90 CB LEU A 27 11.263 9.129 5.926 1.00 10.75 C ATOM 91 CG LEU A 27 11.009 7.726 6.480 1.00 13.50 C ATOM 92 CD1 LEU A 27 12.319 7.007 6.782 1.00 14.18 C ATOM 93 CD2 LEU A 27 10.111 7.781 7.711 1.00 14.28 C ATOM 94 H LEU A 27 10.825 8.675 3.326 1.00 0.00 H ATOM 95 N VAL A 28 9.569 12.024 5.603 1.00 7.18 N ATOM 96 CA VAL A 28 9.536 13.468 5.354 1.00 8.63 C ATOM 97 C VAL A 28 9.565 14.262 6.652 1.00 9.57 C ATOM 98 O VAL A 28 9.075 13.786 7.677 1.00 11.34 O ATOM 99 CB VAL A 28 8.282 13.895 4.552 1.00 9.10 C ATOM 100 CG1 VAL A 28 8.222 13.138 3.231 1.00 9.03 C ATOM 101 CG2 VAL A 28 6.999 13.696 5.385 1.00 10.79 C ATOM 102 H VAL A 28 9.010 11.634 6.389 1.00 0.00 H ATOM 103 N ARG A 29 10.165 15.455 6.578 1.00 9.59 N ATOM 104 CA ARG A 29 10.223 16.420 7.673 1.00 11.19 C ATOM 105 C ARG A 29 9.396 17.631 7.208 1.00 9.94 C ATOM 106 O ARG A 29 9.834 18.364 6.319 1.00 10.21 O ATOM 107 CB ARG A 29 11.665 16.846 7.964 1.00 10.75 C ATOM 108 CG ARG A 29 12.494 15.779 8.658 1.00 16.02 C ATOM 109 CD ARG A 29 13.824 16.337 9.156 1.00 18.88 C ATOM 110 NE ARG A 29 14.741 15.274 9.577 1.00 22.54 N ATOM 111 CZ ARG A 29 14.859 14.781 10.808 1.00 23.54 C ATOM 112 NH1 ARG A 29 14.125 15.225 11.823 1.00 27.27 N ATOM 113 NH2 ARG A 29 15.734 13.812 11.033 1.00 24.52 N ATOM 114 HE ARG A 29 15.358 14.867 8.845 1.00 0.00 H ATOM 115 HH12 ARG A 29 14.246 14.815 12.771 1.00 0.00 H ATOM 116 HH11 ARG A 29 13.430 15.983 11.669 1.00 0.00 H ATOM 117 HH22 ARG A 29 15.838 13.417 11.989 1.00 0.00 H ATOM 118 HH21 ARG A 29 16.317 13.447 10.253 1.00 0.00 H ATOM 119 H ARG A 29 10.621 15.713 5.680 1.00 0.00 H ATOM 120 N PRO A 30 8.225 17.860 7.834 1.00 8.84 N ATOM 121 CA PRO A 30 7.385 18.941 7.358 1.00 8.37 C ATOM 122 C PRO A 30 7.961 20.319 7.678 1.00 8.06 C ATOM 123 O PRO A 30 8.575 20.507 8.725 1.00 8.95 O ATOM 124 CB PRO A 30 6.079 18.730 8.129 1.00 7.90 C ATOM 125 CG PRO A 30 6.502 18.105 9.411 1.00 7.61 C ATOM 126 CD PRO A 30 7.669 17.227 9.053 1.00 8.43 C ATOM 127 N LYS A 31 7.754 21.260 6.763 1.00 8.27 N ATOM 128 CA LYS A 31 8.051 22.666 6.992 1.00 8.59 C ATOM 129 C LYS A 31 7.039 23.233 8.004 1.00 9.05 C ATOM 130 O LYS A 31 6.036 22.571 8.304 1.00 9.25 O ATOM 131 CB LYS A 31 7.990 23.419 5.645 1.00 9.51 C ATOM 132 CG LYS A 31 9.060 22.943 4.662 1.00 9.16 C ATOM 133 CD LYS A 31 9.086 23.774 3.375 1.00 9.65 C ATOM 134 CE LYS A 31 9.908 23.068 2.305 1.00 9.11 C ATOM 135 NZ LYS A 31 10.151 23.871 1.061 1.00 12.82 N ATOM 136 HZ1 LYS A 31 9.239 24.116 0.624 1.00 0.00 H ATOM 137 HZ2 LYS A 31 10.664 24.742 1.307 1.00 0.00 H ATOM 138 HZ3 LYS A 31 10.717 23.310 0.393 1.00 0.00 H ATOM 139 H LYS A 31 7.362 20.979 5.842 1.00 0.00 H ATOM 140 N PRO A 32 7.303 24.435 8.555 1.00 9.64 N ATOM 141 CA PRO A 32 6.482 24.879 9.692 1.00 10.47 C ATOM 142 C PRO A 32 4.972 24.981 9.470 1.00 12.01 C ATOM 143 O PRO A 32 4.213 24.610 10.382 1.00 11.22 O ATOM 144 CB PRO A 32 7.075 26.251 10.031 1.00 10.08 C ATOM 145 CG PRO A 32 8.505 26.103 9.659 1.00 9.35 C ATOM 146 CD PRO A 32 8.520 25.269 8.418 1.00 9.94 C ATOM 147 N LEU A 33 4.524 25.453 8.303 1.00 11.02 N ATOM 148 CA LEU A 33 3.062 25.590 8.065 1.00 11.67 C ATOM 149 C LEU A 33 2.377 24.211 7.966 1.00 11.88 C ATOM 150 O LEU A 33 1.314 24.019 8.523 1.00 12.79 O ATOM 151 CB LEU A 33 2.732 26.466 6.845 1.00 15.60 C ATOM 152 CG LEU A 33 1.223 26.672 6.584 1.00 22.81 C ATOM 153 CD1 LEU A 33 0.527 27.366 7.753 1.00 25.32 C ATOM 154 CD2 LEU A 33 0.984 27.433 5.279 1.00 20.11 C ATOM 155 H LEU A 33 5.199 25.725 7.560 1.00 0.00 H ATOM 156 N LEU A 34 2.976 23.270 7.242 1.00 11.47 N ATOM 157 CA LEU A 34 2.467 21.905 7.197 1.00 11.04 C ATOM 158 C LEU A 34 2.505 21.272 8.591 1.00 10.36 C ATOM 159 O LEU A 34 1.525 20.620 9.001 1.00 12.21 O ATOM 160 CB LEU A 34 3.256 21.035 6.221 1.00 11.62 C ATOM 161 CG LEU A 34 2.846 19.556 6.177 1.00 12.66 C ATOM 162 CD1 LEU A 34 1.387 19.390 5.768 1.00 14.06 C ATOM 163 CD2 LEU A 34 3.744 18.819 5.196 1.00 10.76 C ATOM 164 H LEU A 34 3.827 23.514 6.696 1.00 0.00 H ATOM 165 N LEU A 35 3.584 21.494 9.338 1.00 9.93 N ATOM 166 CA LEU A 35 3.633 20.973 10.717 1.00 10.96 C ATOM 167 C LEU A 35 2.500 21.556 11.571 1.00 12.54 C ATOM 168 O LEU A 35 1.863 20.819 12.332 1.00 11.13 O ATOM 169 CB LEU A 35 4.975 21.227 11.383 1.00 13.86 C ATOM 170 CG LEU A 35 5.153 20.555 12.753 1.00 15.87 C ATOM 171 CD1 LEU A 35 4.929 19.043 12.671 1.00 18.28 C ATOM 172 CD2 LEU A 35 6.533 20.896 13.298 1.00 19.55 C ATOM 173 H LEU A 35 4.387 22.031 8.952 1.00 0.00 H ATOM 174 N LYS A 36 2.224 22.858 11.425 1.00 10.66 N ATOM 175 CA LYS A 36 1.081 23.490 12.117 1.00 12.40 C ATOM 176 C LYS A 36 -0.225 22.753 11.856 1.00 11.88 C ATOM 177 O LYS A 36 -0.985 22.455 12.810 1.00 11.69 O ATOM 178 CB LYS A 36 0.922 24.963 11.696 1.00 13.70 C ATOM 179 CG LYS A 36 -0.163 25.732 12.429 1.00 14.73 C ATOM 180 CD LYS A 36 -0.238 27.160 11.922 1.00 18.98 C ATOM 181 CE LYS A 36 -1.229 27.992 12.715 1.00 23.29 C ATOM 182 NZ LYS A 36 -0.901 28.145 14.165 1.00 26.84 N ATOM 183 HZ1 LYS A 36 -0.870 27.207 14.613 1.00 0.00 H ATOM 184 HZ2 LYS A 36 0.025 28.608 14.263 1.00 0.00 H ATOM 185 HZ3 LYS A 36 -1.631 28.726 14.625 1.00 0.00 H ATOM 186 H LYS A 36 2.829 23.439 10.810 1.00 0.00 H ATOM 187 N LEU A 37 -0.488 22.466 10.589 1.00 12.19 N ATOM 188 CA LEU A 37 -1.709 21.785 10.187 1.00 12.75 C ATOM 189 C LEU A 37 -1.776 20.350 10.742 1.00 14.21 C ATOM 190 O LEU A 37 -2.805 19.921 11.250 1.00 13.75 O ATOM 191 CB LEU A 37 -1.822 21.811 8.665 1.00 14.82 C ATOM 192 CG LEU A 37 -3.186 21.433 8.104 1.00 12.54 C ATOM 193 CD1 LEU A 37 -3.435 22.085 6.747 1.00 12.21 C ATOM 194 CD2 LEU A 37 -3.291 19.913 8.048 1.00 14.64 C ATOM 195 H LEU A 37 0.201 22.736 9.858 1.00 0.00 H ATOM 196 N LEU A 38 -0.650 19.642 10.676 1.00 11.86 N ATOM 197 CA LEU A 38 -0.547 18.269 11.168 1.00 11.30 C ATOM 198 C LEU A 38 -0.782 18.173 12.679 1.00 9.87 C ATOM 199 O LEU A 38 -1.428 17.224 13.162 1.00 11.32 O ATOM 200 CB LEU A 38 0.822 17.683 10.787 1.00 10.12 C ATOM 201 CG LEU A 38 1.109 17.406 9.299 1.00 9.85 C ATOM 202 CD1 LEU A 38 2.535 16.884 9.094 1.00 8.11 C ATOM 203 CD2 LEU A 38 0.109 16.394 8.747 1.00 14.37 C ATOM 204 H LEU A 38 0.192 20.085 10.256 1.00 0.00 H ATOM 205 N LYS A 39 -0.274 19.163 13.415 1.00 10.14 N ATOM 206 CA LYS A 39 -0.439 19.235 14.866 1.00 10.03 C ATOM 207 C LYS A 39 -1.876 19.460 15.330 1.00 11.10 C ATOM 208 O LYS A 39 -2.169 19.221 16.495 1.00 9.85 O ATOM 209 CB LYS A 39 0.475 20.317 15.460 1.00 14.52 C ATOM 210 CG LYS A 39 1.924 19.891 15.499 1.00 20.73 C ATOM 211 CD LYS A 39 2.869 21.046 15.829 1.00 29.02 C ATOM 212 CE LYS A 39 2.634 21.595 17.224 1.00 36.65 C ATOM 213 NZ LYS A 39 3.711 22.514 17.679 1.00 38.75 N ATOM 214 HZ1 LYS A 39 4.618 22.005 17.689 1.00 0.00 H ATOM 215 HZ2 LYS A 39 3.773 23.323 17.028 1.00 0.00 H ATOM 216 HZ3 LYS A 39 3.493 22.855 18.637 1.00 0.00 H ATOM 217 H LYS A 39 0.262 19.915 12.937 1.00 0.00 H ATOM 218 N SER A 40 -2.758 19.930 14.442 1.00 11.29 N ATOM 219 CA SER A 40 -4.196 20.029 14.775 1.00 12.69 C ATOM 220 C SER A 40 -4.942 18.674 14.658 1.00 15.54 C ATOM 221 O SER A 40 -6.085 18.569 15.102 1.00 13.43 O ATOM 222 CB SER A 40 -4.877 21.125 13.931 1.00 18.06 C ATOM 223 OG SER A 40 -5.037 20.741 12.582 1.00 16.98 O ATOM 224 HG SER A 40 -4.149 20.555 12.185 1.00 0.00 H ATOM 225 H SER A 40 -2.428 20.231 13.503 1.00 0.00 H ATOM 226 N VAL A 41 -4.301 17.640 14.111 1.00 11.57 N ATOM 227 CA VAL A 41 -4.949 16.313 13.945 1.00 13.13 C ATOM 228 C VAL A 41 -4.137 15.099 14.407 1.00 15.40 C ATOM 229 O VAL A 41 -4.682 14.015 14.537 1.00 16.22 O ATOM 230 CB VAL A 41 -5.401 16.098 12.477 1.00 14.90 C ATOM 231 CG1 VAL A 41 -6.528 17.059 12.117 1.00 15.33 C ATOM 232 CG2 VAL A 41 -4.222 16.255 11.498 1.00 14.88 C ATOM 233 H VAL A 41 -3.319 17.766 13.791 1.00 0.00 H ATOM 234 N GLY A 42 -2.840 15.251 14.655 1.00 12.07 N ATOM 235 CA GLY A 42 -2.019 14.140 15.097 1.00 13.15 C ATOM 236 C GLY A 42 -0.929 14.559 16.047 1.00 14.62 C ATOM 237 O GLY A 42 -0.673 15.745 16.220 1.00 14.53 O ATOM 238 H GLY A 42 -2.404 16.187 14.529 1.00 0.00 H ATOM 239 N ALA A 43 -0.258 13.568 16.626 1.00 16.85 N ATOM 240 CA ALA A 43 0.847 13.810 17.540 1.00 15.42 C ATOM 241 C ALA A 43 2.010 14.429 16.796 1.00 13.23 C ATOM 242 O ALA A 43 2.289 14.048 15.663 1.00 15.20 O ATOM 243 CB ALA A 43 1.287 12.523 18.236 1.00 19.03 C ATOM 244 H ALA A 43 -0.533 12.587 16.418 1.00 0.00 H ATOM 245 N GLN A 44 2.671 15.395 17.433 1.00 12.39 N ATOM 246 CA GLN A 44 3.837 16.037 16.843 1.00 15.26 C ATOM 247 C GLN A 44 4.994 15.076 16.908 1.00 14.64 C ATOM 248 O GLN A 44 5.200 14.397 17.918 1.00 12.36 O ATOM 249 CB GLN A 44 4.210 17.329 17.576 1.00 18.85 C ATOM 250 CG GLN A 44 5.450 18.048 17.040 1.00 21.40 C ATOM 251 CD GLN A 44 5.653 19.443 17.625 1.00 19.78 C ATOM 252 OE1 GLN A 44 4.963 19.850 18.565 1.00 24.81 O ATOM 253 NE2 GLN A 44 6.614 20.182 17.070 1.00 16.64 N ATOM 254 HE22 GLN A 44 7.172 19.801 16.280 1.00 0.00 H ATOM 255 HE21 GLN A 44 6.805 21.140 17.427 1.00 0.00 H ATOM 256 H GLN A 44 2.346 15.697 18.374 1.00 0.00 H ATOM 257 N LYS A 45 5.748 15.021 15.822 1.00 13.47 N ATOM 258 CA LYS A 45 7.059 14.383 15.824 1.00 12.84 C ATOM 259 C LYS A 45 7.890 14.961 14.689 1.00 14.82 C ATOM 260 O LYS A 45 7.359 15.681 13.852 1.00 15.81 O ATOM 261 CB LYS A 45 6.933 12.861 15.702 1.00 14.11 C ATOM 262 CG LYS A 45 6.093 12.378 14.521 1.00 12.93 C ATOM 263 CD LYS A 45 5.957 10.861 14.589 1.00 16.43 C ATOM 264 CE LYS A 45 5.115 10.299 13.452 1.00 18.02 C ATOM 265 NZ LYS A 45 5.290 8.828 13.340 1.00 18.44 N ATOM 266 HZ1 LYS A 45 6.290 8.612 13.154 1.00 0.00 H ATOM 267 HZ2 LYS A 45 4.996 8.376 14.229 1.00 0.00 H ATOM 268 HZ3 LYS A 45 4.706 8.469 12.558 1.00 0.00 H ATOM 269 H LYS A 45 5.395 15.446 14.941 1.00 0.00 H ATOM 270 N ASP A 46 9.189 14.654 14.688 1.00 14.37 N ATOM 271 CA ASP A 46 10.151 15.229 13.735 1.00 19.45 C ATOM 272 C ASP A 46 9.917 14.767 12.284 1.00 16.74 C ATOM 273 O ASP A 46 9.897 15.590 11.356 1.00 18.16 O ATOM 274 CB ASP A 46 11.588 14.887 14.163 1.00 22.56 C ATOM 275 CG ASP A 46 12.003 15.695 15.413 1.00 21.06 C ATOM 276 OD1 ASP A 46 11.115 16.045 16.221 1.00 21.21 O ATOM 277 OD2 ASP A 46 13.216 15.921 15.606 1.00 21.09 O ATOM 278 H ASP A 46 9.538 13.976 15.395 1.00 0.00 H ATOM 279 N THR A 47 9.716 13.457 12.130 1.00 13.72 N ATOM 280 CA THR A 47 9.629 12.796 10.829 1.00 15.08 C ATOM 281 C THR A 47 8.315 12.010 10.708 1.00 15.24 C ATOM 282 O THR A 47 7.847 11.405 11.682 1.00 15.46 O ATOM 283 CB THR A 47 10.838 11.850 10.637 1.00 16.06 C ATOM 284 OG1 THR A 47 12.060 12.582 10.855 1.00 17.59 O ATOM 285 CG2 THR A 47 10.862 11.245 9.208 1.00 19.27 C ATOM 286 HG1 THR A 47 12.833 11.976 10.732 1.00 0.00 H ATOM 287 H THR A 47 9.615 12.873 12.984 1.00 0.00 H ATOM 288 N TYR A 48 7.709 12.070 9.522 1.00 11.77 N ATOM 289 CA TYR A 48 6.477 11.342 9.196 1.00 11.02 C ATOM 290 C TYR A 48 6.723 10.541 7.938 1.00 10.21 C ATOM 291 O TYR A 48 7.642 10.856 7.163 1.00 10.28 O ATOM 292 CB TYR A 48 5.303 12.297 8.912 1.00 10.15 C ATOM 293 CG TYR A 48 4.875 13.119 10.116 1.00 11.48 C ATOM 294 CD1 TYR A 48 5.547 14.296 10.435 1.00 10.80 C ATOM 295 CD2 TYR A 48 3.795 12.727 10.916 1.00 13.83 C ATOM 296 CE1 TYR A 48 5.200 15.053 11.532 1.00 12.43 C ATOM 297 CE2 TYR A 48 3.414 13.496 12.017 1.00 13.47 C ATOM 298 CZ TYR A 48 4.123 14.654 12.324 1.00 14.86 C ATOM 299 OH TYR A 48 3.779 15.427 13.423 1.00 15.70 O ATOM 300 HH TYR A 48 3.856 14.882 14.246 1.00 0.00 H ATOM 301 H TYR A 48 8.134 12.668 8.785 1.00 0.00 H ATOM 302 N THR A 49 5.930 9.488 7.746 1.00 8.60 N ATOM 303 CA THR A 49 5.859 8.832 6.448 1.00 7.90 C ATOM 304 C THR A 49 4.828 9.586 5.609 1.00 7.66 C ATOM 305 O THR A 49 3.951 10.308 6.118 1.00 7.65 O ATOM 306 CB THR A 49 5.434 7.355 6.551 1.00 8.29 C ATOM 307 OG1 THR A 49 4.099 7.291 7.049 1.00 7.78 O ATOM 308 CG2 THR A 49 6.396 6.503 7.435 1.00 8.03 C ATOM 309 HG1 THR A 49 3.819 6.344 7.118 1.00 0.00 H ATOM 310 H THR A 49 5.354 9.130 8.534 1.00 0.00 H ATOM 311 N MET A 50 4.918 9.439 4.305 1.00 7.98 N ATOM 312 CA MET A 50 3.895 10.035 3.439 1.00 8.56 C ATOM 313 C MET A 50 2.515 9.428 3.686 1.00 7.97 C ATOM 314 O MET A 50 1.497 10.122 3.575 1.00 8.04 O ATOM 315 CB MET A 50 4.312 9.956 1.965 1.00 9.26 C ATOM 316 CG MET A 50 5.263 11.097 1.563 1.00 16.41 C ATOM 317 SD MET A 50 4.541 12.756 1.770 1.00 17.99 S ATOM 318 CE MET A 50 3.125 12.504 0.754 1.00 11.29 C ATOM 319 H MET A 50 5.708 8.904 3.891 1.00 0.00 H ATOM 320 N LYS A 51 2.464 8.151 4.051 1.00 6.79 N ATOM 321 CA LYS A 51 1.175 7.547 4.450 1.00 7.67 C ATOM 322 C LYS A 51 0.556 8.373 5.603 1.00 8.41 C ATOM 323 O LYS A 51 -0.633 8.741 5.554 1.00 6.93 O ATOM 324 CB LYS A 51 1.360 6.095 4.874 1.00 10.39 C ATOM 325 CG LYS A 51 0.126 5.464 5.499 1.00 11.98 C ATOM 326 CD LYS A 51 0.314 3.975 5.728 1.00 17.75 C ATOM 327 CE LYS A 51 -0.897 3.403 6.441 1.00 20.97 C ATOM 328 NZ LYS A 51 -0.699 1.964 6.748 1.00 20.66 N ATOM 329 HZ1 LYS A 51 -0.552 1.439 5.862 1.00 0.00 H ATOM 330 HZ2 LYS A 51 0.134 1.853 7.360 1.00 0.00 H ATOM 331 HZ3 LYS A 51 -1.541 1.596 7.235 1.00 0.00 H ATOM 332 H LYS A 51 3.331 7.577 4.056 1.00 0.00 H ATOM 333 N GLU A 52 1.364 8.677 6.624 1.00 8.37 N ATOM 334 CA GLU A 52 0.886 9.515 7.738 1.00 9.44 C ATOM 335 C GLU A 52 0.440 10.900 7.262 1.00 8.05 C ATOM 336 O GLU A 52 -0.633 11.379 7.649 1.00 10.22 O ATOM 337 CB GLU A 52 1.943 9.669 8.832 1.00 9.07 C ATOM 338 CG GLU A 52 2.205 8.401 9.631 1.00 9.08 C ATOM 339 CD GLU A 52 3.419 8.511 10.540 1.00 13.91 C ATOM 340 OE1 GLU A 52 4.469 9.047 10.109 1.00 10.68 O ATOM 341 OE2 GLU A 52 3.343 8.019 11.685 1.00 18.65 O ATOM 342 H GLU A 52 2.340 8.318 6.632 1.00 0.00 H ATOM 343 N VAL A 53 1.233 11.554 6.411 1.00 8.88 N ATOM 344 CA VAL A 53 0.886 12.889 5.966 1.00 9.05 C ATOM 345 C VAL A 53 -0.452 12.892 5.193 1.00 9.20 C ATOM 346 O VAL A 53 -1.328 13.710 5.443 1.00 9.72 O ATOM 347 CB VAL A 53 1.997 13.537 5.131 1.00 8.76 C ATOM 348 CG1 VAL A 53 1.459 14.855 4.542 1.00 7.63 C ATOM 349 CG2 VAL A 53 3.252 13.745 5.989 1.00 8.67 C ATOM 350 H VAL A 53 2.104 11.104 6.065 1.00 0.00 H ATOM 351 N LEU A 54 -0.613 11.948 4.273 1.00 9.32 N ATOM 352 CA LEU A 54 -1.870 11.803 3.547 1.00 9.95 C ATOM 353 C LEU A 54 -3.053 11.486 4.464 1.00 9.12 C ATOM 354 O LEU A 54 -4.147 12.043 4.283 1.00 10.32 O ATOM 355 CB LEU A 54 -1.763 10.718 2.485 1.00 8.83 C ATOM 356 CG LEU A 54 -0.956 11.087 1.271 1.00 12.02 C ATOM 357 CD1 LEU A 54 -0.641 9.750 0.598 1.00 14.96 C ATOM 358 CD2 LEU A 54 -1.720 12.051 0.373 1.00 10.01 C ATOM 359 H LEU A 54 0.173 11.299 4.066 1.00 0.00 H ATOM 360 N PHE A 55 -2.847 10.616 5.455 1.00 8.77 N ATOM 361 CA PHE A 55 -3.901 10.324 6.414 1.00 7.65 C ATOM 362 C PHE A 55 -4.288 11.592 7.202 1.00 7.62 C ATOM 363 O PHE A 55 -5.481 11.916 7.317 1.00 9.06 O ATOM 364 CB PHE A 55 -3.494 9.207 7.386 1.00 8.49 C ATOM 365 CG PHE A 55 -4.442 9.053 8.541 1.00 9.00 C ATOM 366 CD1 PHE A 55 -5.647 8.398 8.384 1.00 11.56 C ATOM 367 CD2 PHE A 55 -4.141 9.610 9.780 1.00 10.99 C ATOM 368 CE1 PHE A 55 -6.530 8.252 9.451 1.00 12.93 C ATOM 369 CE2 PHE A 55 -5.019 9.490 10.849 1.00 10.56 C ATOM 370 CZ PHE A 55 -6.218 8.811 10.686 1.00 12.44 C ATOM 371 H PHE A 55 -1.925 10.143 5.542 1.00 0.00 H ATOM 372 N TYR A 56 -3.299 12.287 7.751 1.00 7.27 N ATOM 373 CA TYR A 56 -3.569 13.439 8.627 1.00 8.58 C ATOM 374 C TYR A 56 -4.193 14.591 7.845 1.00 9.64 C ATOM 375 O TYR A 56 -5.177 15.193 8.295 1.00 9.22 O ATOM 376 CB TYR A 56 -2.297 13.855 9.393 1.00 8.38 C ATOM 377 CG TYR A 56 -1.900 12.897 10.495 1.00 9.52 C ATOM 378 CD1 TYR A 56 -2.820 12.495 11.478 1.00 9.71 C ATOM 379 CD2 TYR A 56 -0.609 12.411 10.601 1.00 8.85 C ATOM 380 CE1 TYR A 56 -2.457 11.652 12.500 1.00 10.48 C ATOM 381 CE2 TYR A 56 -0.244 11.525 11.605 1.00 9.09 C ATOM 382 CZ TYR A 56 -1.169 11.139 12.552 1.00 9.70 C ATOM 383 OH TYR A 56 -0.841 10.301 13.574 1.00 9.44 O ATOM 384 HH TYR A 56 -0.122 10.711 14.117 1.00 0.00 H ATOM 385 H TYR A 56 -2.315 12.012 7.559 1.00 0.00 H ATOM 386 N LEU A 57 -3.696 14.850 6.634 1.00 9.34 N ATOM 387 CA LEU A 57 -4.303 15.896 5.812 1.00 10.43 C ATOM 388 C LEU A 57 -5.716 15.509 5.413 1.00 10.16 C ATOM 389 O LEU A 57 -6.592 16.378 5.429 1.00 11.63 O ATOM 390 CB LEU A 57 -3.478 16.221 4.567 1.00 12.72 C ATOM 391 CG LEU A 57 -2.148 16.913 4.815 1.00 12.47 C ATOM 392 CD1 LEU A 57 -1.377 16.980 3.509 1.00 15.64 C ATOM 393 CD2 LEU A 57 -2.370 18.319 5.367 1.00 15.87 C ATOM 394 H LEU A 57 -2.881 14.311 6.277 1.00 0.00 H ATOM 395 N GLY A 58 -5.949 14.222 5.130 1.00 7.60 N ATOM 396 CA GLY A 58 -7.304 13.740 4.896 1.00 7.87 C ATOM 397 C GLY A 58 -8.219 14.025 6.078 1.00 8.22 C ATOM 398 O GLY A 58 -9.339 14.501 5.912 1.00 7.21 O ATOM 399 H GLY A 58 -5.152 13.556 5.076 1.00 0.00 H ATOM 400 N GLN A 59 -7.756 13.707 7.296 1.00 9.45 N ATOM 401 CA GLN A 59 -8.558 13.911 8.488 1.00 10.28 C ATOM 402 C GLN A 59 -8.816 15.389 8.742 1.00 9.98 C ATOM 403 O GLN A 59 -9.921 15.768 9.139 1.00 8.81 O ATOM 404 CB GLN A 59 -7.906 13.276 9.716 1.00 9.40 C ATOM 405 CG GLN A 59 -7.975 11.763 9.755 1.00 14.82 C ATOM 406 CD GLN A 59 -9.407 11.266 9.751 1.00 16.65 C ATOM 407 OE1 GLN A 59 -10.229 11.733 10.533 1.00 15.06 O ATOM 408 NE2 GLN A 59 -9.726 10.369 8.815 1.00 18.75 N ATOM 409 HE22 GLN A 59 -8.993 10.002 8.175 1.00 0.00 H ATOM 410 HE21 GLN A 59 -10.708 10.037 8.726 1.00 0.00 H ATOM 411 H GLN A 59 -6.801 13.305 7.388 1.00 0.00 H ATOM 412 N TYR A 60 -7.799 16.212 8.492 1.00 9.23 N ATOM 413 CA TYR A 60 -7.941 17.679 8.582 1.00 9.31 C ATOM 414 C TYR A 60 -9.063 18.183 7.659 1.00 10.16 C ATOM 415 O TYR A 60 -9.971 18.884 8.092 1.00 10.38 O ATOM 416 CB TYR A 60 -6.615 18.366 8.254 1.00 9.21 C ATOM 417 CG TYR A 60 -6.665 19.880 8.320 1.00 8.59 C ATOM 418 CD1 TYR A 60 -6.431 20.567 9.504 1.00 8.42 C ATOM 419 CD2 TYR A 60 -6.956 20.623 7.183 1.00 9.22 C ATOM 420 CE1 TYR A 60 -6.459 21.964 9.553 1.00 11.26 C ATOM 421 CE2 TYR A 60 -6.997 21.999 7.227 1.00 9.56 C ATOM 422 CZ TYR A 60 -6.774 22.670 8.419 1.00 10.41 C ATOM 423 OH TYR A 60 -6.838 24.060 8.465 1.00 9.26 O ATOM 424 HH TYR A 60 -7.742 24.357 8.191 1.00 0.00 H ATOM 425 H TYR A 60 -6.878 15.810 8.226 1.00 0.00 H ATOM 426 N ILE A 61 -8.997 17.768 6.393 1.00 8.48 N ATOM 427 CA ILE A 61 -10.036 18.063 5.399 1.00 8.36 C ATOM 428 C ILE A 61 -11.441 17.586 5.797 1.00 8.51 C ATOM 429 O ILE A 61 -12.393 18.379 5.733 1.00 9.04 O ATOM 430 CB ILE A 61 -9.639 17.513 4.024 1.00 8.28 C ATOM 431 CG1 ILE A 61 -8.448 18.316 3.502 1.00 8.65 C ATOM 432 CG2 ILE A 61 -10.845 17.535 3.068 1.00 7.59 C ATOM 433 CD1 ILE A 61 -7.686 17.626 2.381 1.00 10.58 C ATOM 434 H ILE A 61 -8.171 17.210 6.097 1.00 0.00 H ATOM 435 N MET A 62 -11.568 16.323 6.213 1.00 7.77 N ATOM 436 CA MET A 62 -12.870 15.757 6.589 1.00 7.56 C ATOM 437 C MET A 62 -13.437 16.397 7.841 1.00 8.11 C ATOM 438 O MET A 62 -14.624 16.721 7.881 1.00 8.01 O ATOM 439 CB MET A 62 -12.789 14.245 6.826 1.00 6.95 C ATOM 440 CG MET A 62 -12.899 13.406 5.568 1.00 6.71 C ATOM 441 SD MET A 62 -14.252 13.917 4.494 1.00 5.48 S ATOM 442 CE MET A 62 -15.709 13.444 5.419 1.00 5.90 C ATOM 443 H MET A 62 -10.720 15.723 6.272 1.00 0.00 H ATOM 444 N THR A 63 -12.599 16.580 8.860 1.00 9.21 N ATOM 445 CA THR A 63 -13.089 17.134 10.150 1.00 9.29 C ATOM 446 C THR A 63 -13.591 18.568 9.971 1.00 10.85 C ATOM 447 O THR A 63 -14.689 18.911 10.453 1.00 9.48 O ATOM 448 CB THR A 63 -12.046 17.084 11.271 1.00 10.71 C ATOM 449 OG1 THR A 63 -10.925 17.850 10.887 1.00 17.50 O ATOM 450 CG2 THR A 63 -11.623 15.645 11.562 1.00 8.57 C ATOM 451 HG1 THR A 63 -10.541 17.476 10.055 1.00 0.00 H ATOM 452 H THR A 63 -11.594 16.334 8.753 1.00 0.00 H ATOM 453 N LYS A 64 -12.829 19.350 9.212 1.00 9.82 N ATOM 454 CA LYS A 64 -13.214 20.730 8.884 1.00 11.05 C ATOM 455 C LYS A 64 -14.207 20.886 7.740 1.00 11.04 C ATOM 456 O LYS A 64 -14.567 22.014 7.377 1.00 12.00 O ATOM 457 CB LYS A 64 -11.970 21.556 8.620 1.00 9.56 C ATOM 458 CG LYS A 64 -11.092 21.705 9.852 1.00 12.15 C ATOM 459 CD LYS A 64 -10.065 22.820 9.636 1.00 10.63 C ATOM 460 CE LYS A 64 -10.654 24.192 9.968 1.00 11.22 C ATOM 461 NZ LYS A 64 -9.604 25.223 9.742 1.00 10.39 N ATOM 462 HZ1 LYS A 64 -8.789 25.027 10.358 1.00 0.00 H ATOM 463 HZ2 LYS A 64 -9.302 25.197 8.747 1.00 0.00 H ATOM 464 HZ3 LYS A 64 -9.990 26.163 9.964 1.00 0.00 H ATOM 465 H LYS A 64 -11.934 18.974 8.839 1.00 0.00 H ATOM 466 N ARG A 65 -14.687 19.779 7.196 1.00 10.43 N ATOM 467 CA ARG A 65 -15.722 19.770 6.163 1.00 10.59 C ATOM 468 C ARG A 65 -15.332 20.605 4.927 1.00 9.62 C ATOM 469 O ARG A 65 -16.169 21.287 4.337 1.00 8.40 O ATOM 470 CB ARG A 65 -17.092 20.163 6.741 1.00 16.52 C ATOM 471 CG ARG A 65 -17.624 19.184 7.797 1.00 20.35 C ATOM 472 CD ARG A 65 -19.132 19.359 7.970 1.00 30.99 C ATOM 473 NE ARG A 65 -19.772 18.678 9.113 1.00 32.62 N ATOM 474 CZ ARG A 65 -19.655 19.020 10.404 1.00 33.11 C ATOM 475 NH1 ARG A 65 -18.856 20.012 10.800 1.00 34.36 N ATOM 476 NH2 ARG A 65 -20.325 18.332 11.328 1.00 32.54 N ATOM 477 HE ARG A 65 -20.370 17.855 8.896 1.00 0.00 H ATOM 478 HH12 ARG A 65 -18.787 20.253 11.809 1.00 0.00 H ATOM 479 HH11 ARG A 65 -18.302 20.544 10.099 1.00 0.00 H ATOM 480 HH22 ARG A 65 -20.240 18.590 12.332 1.00 0.00 H ATOM 481 HH21 ARG A 65 -20.933 17.537 11.045 1.00 0.00 H ATOM 482 H ARG A 65 -14.308 18.867 7.521 1.00 0.00 H ATOM 483 N LEU A 66 -14.063 20.520 4.523 1.00 8.08 N ATOM 484 CA LEU A 66 -13.598 21.205 3.322 1.00 8.08 C ATOM 485 C LEU A 66 -13.906 20.435 2.028 1.00 9.12 C ATOM 486 O LEU A 66 -13.669 20.962 0.952 1.00 11.42 O ATOM 487 CB LEU A 66 -12.093 21.480 3.408 1.00 8.45 C ATOM 488 CG LEU A 66 -11.643 22.298 4.632 1.00 8.91 C ATOM 489 CD1 LEU A 66 -10.147 22.457 4.602 1.00 12.34 C ATOM 490 CD2 LEU A 66 -12.376 23.664 4.762 1.00 8.49 C ATOM 491 H LEU A 66 -13.390 19.952 5.077 1.00 0.00 H ATOM 492 N TYR A 67 -14.388 19.193 2.134 1.00 12.02 N ATOM 493 CA TYR A 67 -14.522 18.276 0.995 1.00 12.16 C ATOM 494 C TYR A 67 -15.971 18.145 0.582 1.00 18.62 C ATOM 495 O TYR A 67 -16.818 17.824 1.406 1.00 18.13 O ATOM 496 CB TYR A 67 -13.976 16.906 1.391 1.00 13.59 C ATOM 497 CG TYR A 67 -14.048 15.804 0.343 1.00 13.24 C ATOM 498 CD1 TYR A 67 -13.730 16.051 -0.990 1.00 17.28 C ATOM 499 CD2 TYR A 67 -14.357 14.499 0.708 1.00 16.06 C ATOM 500 CE1 TYR A 67 -13.758 15.041 -1.936 1.00 21.36 C ATOM 501 CE2 TYR A 67 -14.387 13.478 -0.234 1.00 16.36 C ATOM 502 CZ TYR A 67 -14.080 13.754 -1.556 1.00 20.07 C ATOM 503 OH TYR A 67 -14.091 12.760 -2.519 1.00 20.05 O ATOM 504 HH TYR A 67 -13.437 12.058 -2.275 1.00 0.00 H ATOM 505 H TYR A 67 -14.684 18.858 3.073 1.00 0.00 H ATOM 506 N ASP A 68 -16.242 18.397 -0.694 1.00 22.04 N ATOM 507 CA ASP A 68 -17.557 18.197 -1.275 1.00 29.06 C ATOM 508 C ASP A 68 -17.486 16.971 -2.181 1.00 34.60 C ATOM 509 O ASP A 68 -17.176 17.088 -3.379 1.00 33.32 O ATOM 510 CB ASP A 68 -17.967 19.431 -2.073 1.00 30.19 C ATOM 511 CG ASP A 68 -18.187 20.669 -1.198 1.00 32.90 C ATOM 512 OD1 ASP A 68 -17.607 20.763 -0.095 1.00 37.13 O ATOM 513 OD2 ASP A 68 -18.941 21.565 -1.631 1.00 32.01 O ATOM 514 H ASP A 68 -15.478 18.753 -1.303 1.00 0.00 H ATOM 515 N GLU A 69 -17.746 15.801 -1.593 1.00 42.64 N ATOM 516 CA GLU A 69 -17.691 14.511 -2.309 1.00 47.04 C ATOM 517 C GLU A 69 -18.776 14.436 -3.382 1.00 55.76 C ATOM 518 O GLU A 69 -18.532 13.933 -4.483 1.00 51.89 O ATOM 519 CB GLU A 69 -17.838 13.335 -1.330 1.00 42.78 C ATOM 520 CG GLU A 69 -17.609 11.960 -1.958 1.00 40.26 C ATOM 521 CD GLU A 69 -17.432 10.839 -0.944 1.00 36.78 C ATOM 522 OE1 GLU A 69 -17.630 11.059 0.272 1.00 37.50 O ATOM 523 OE2 GLU A 69 -17.091 9.717 -1.372 1.00 36.10 O ATOM 524 H GLU A 69 -17.999 15.798 -0.584 1.00 0.00 H ATOM 525 N LYS A 70 -19.958 14.959 -3.038 1.00 65.11 N ATOM 526 CA LYS A 70 -21.095 15.106 -3.961 1.00 62.74 C ATOM 527 C LYS A 70 -21.102 16.481 -4.671 1.00 60.88 C ATOM 528 O LYS A 70 -22.142 17.139 -4.780 1.00 53.26 O ATOM 529 CB LYS A 70 -22.422 14.844 -3.216 1.00 68.84 C ATOM 530 CG LYS A 70 -22.712 15.750 -2.020 1.00 70.38 C ATOM 531 CD LYS A 70 -24.248 15.418 -1.697 1.00 74.30 C ATOM 532 CE LYS A 70 -24.543 14.035 -1.135 1.00 74.16 C ATOM 533 NZ LYS A 70 -25.936 13.930 -0.619 1.00 74.01 N ATOM 534 HZ1 LYS A 70 -26.077 14.627 0.140 1.00 0.00 H ATOM 535 HZ2 LYS A 70 -26.606 14.117 -1.392 1.00 0.00 H ATOM 536 HZ3 LYS A 70 -26.095 12.972 -0.246 1.00 0.00 H ATOM 537 H LYS A 70 -20.081 15.282 -2.057 1.00 0.00 H ATOM 538 N GLN A 71 -19.928 16.904 -5.146 1.00 54.54 N ATOM 539 CA GLN A 71 -19.771 18.115 -5.967 1.00 58.37 C ATOM 540 C GLN A 71 -18.432 18.020 -6.712 1.00 45.07 C ATOM 541 O GLN A 71 -17.530 18.840 -6.517 1.00 41.64 O ATOM 542 CB GLN A 71 -19.849 19.398 -5.112 1.00 58.86 C ATOM 543 CG GLN A 71 -19.984 20.711 -5.883 1.00 55.66 C ATOM 544 CD GLN A 71 -21.397 20.976 -6.392 1.00 48.11 C ATOM 545 OE1 GLN A 71 -21.906 20.254 -7.251 1.00 54.39 O ATOM 546 NE2 GLN A 71 -22.024 22.031 -5.881 1.00 19.19 N ATOM 547 HE22 GLN A 71 -21.557 22.613 -5.157 1.00 0.00 H ATOM 548 HE21 GLN A 71 -22.982 22.274 -6.205 1.00 0.00 H ATOM 549 H GLN A 71 -19.078 16.347 -4.924 1.00 0.00 H ATOM 550 N GLN A 72 -18.318 16.982 -7.542 1.00 33.99 N ATOM 551 CA GLN A 72 -17.130 16.720 -8.370 1.00 29.72 C ATOM 552 C GLN A 72 -15.855 16.381 -7.569 1.00 21.45 C ATOM 553 O GLN A 72 -14.756 16.587 -8.073 1.00 26.96 O ATOM 554 CB GLN A 72 -16.863 17.888 -9.358 1.00 32.73 C ATOM 555 CG GLN A 72 -18.081 18.353 -10.170 1.00 37.42 C ATOM 556 CD GLN A 72 -17.828 19.598 -11.027 1.00 37.07 C ATOM 557 OE1 GLN A 72 -18.517 19.819 -12.028 1.00 45.03 O ATOM 558 NE2 GLN A 72 -16.859 20.424 -10.628 1.00 32.29 N ATOM 559 HE22 GLN A 72 -16.302 20.200 -9.779 1.00 0.00 H ATOM 560 HE21 GLN A 72 -16.661 21.292 -11.166 1.00 0.00 H ATOM 561 H GLN A 72 -19.116 16.318 -7.608 1.00 0.00 H ATOM 562 N HIS A 73 -16.001 15.849 -6.349 1.00 17.11 N ATOM 563 CA HIS A 73 -14.854 15.434 -5.496 1.00 16.72 C ATOM 564 C HIS A 73 -13.812 16.524 -5.329 1.00 12.71 C ATOM 565 O HIS A 73 -12.613 16.283 -5.428 1.00 10.40 O ATOM 566 CB HIS A 73 -14.222 14.146 -6.028 1.00 17.04 C ATOM 567 CG HIS A 73 -15.222 13.041 -6.298 1.00 16.09 C ATOM 568 ND1 HIS A 73 -16.042 12.558 -5.344 1.00 18.47 N ATOM 569 CD2 HIS A 73 -15.515 12.337 -7.462 1.00 17.70 C ATOM 570 CE1 HIS A 73 -16.817 11.588 -5.867 1.00 18.16 C ATOM 571 NE2 HIS A 73 -16.496 11.456 -7.164 1.00 17.58 N ATOM 572 H HIS A 73 -16.964 15.719 -5.979 1.00 0.00 H ATOM 573 N ILE A 74 -14.293 17.734 -5.034 1.00 10.40 N ATOM 574 CA ILE A 74 -13.454 18.928 -4.922 1.00 9.50 C ATOM 575 C ILE A 74 -13.316 19.272 -3.445 1.00 9.37 C ATOM 576 O ILE A 74 -14.309 19.264 -2.705 1.00 12.04 O ATOM 577 CB ILE A 74 -14.070 20.129 -5.698 1.00 9.94 C ATOM 578 CG1 ILE A 74 -14.228 19.811 -7.185 1.00 12.24 C ATOM 579 CG2 ILE A 74 -13.252 21.405 -5.501 1.00 8.64 C ATOM 580 CD1 ILE A 74 -13.002 19.268 -7.891 1.00 12.57 C ATOM 581 H ILE A 74 -15.316 17.833 -4.876 1.00 0.00 H ATOM 582 N VAL A 75 -12.079 19.533 -3.033 1.00 7.85 N ATOM 583 CA VAL A 75 -11.783 20.175 -1.774 1.00 7.74 C ATOM 584 C VAL A 75 -11.741 21.687 -2.014 1.00 8.49 C ATOM 585 O VAL A 75 -11.035 22.165 -2.911 1.00 8.46 O ATOM 586 CB VAL A 75 -10.428 19.709 -1.218 1.00 6.76 C ATOM 587 CG1 VAL A 75 -9.961 20.545 -0.033 1.00 8.68 C ATOM 588 CG2 VAL A 75 -10.498 18.238 -0.842 1.00 7.53 C ATOM 589 H VAL A 75 -11.286 19.261 -3.648 1.00 0.00 H ATOM 590 N TYR A 76 -12.434 22.435 -1.170 1.00 7.64 N ATOM 591 CA TYR A 76 -12.437 23.902 -1.240 1.00 7.77 C ATOM 592 C TYR A 76 -11.677 24.430 -0.033 1.00 8.62 C ATOM 593 O TYR A 76 -12.034 24.142 1.113 1.00 10.58 O ATOM 594 CB TYR A 76 -13.860 24.450 -1.273 1.00 7.34 C ATOM 595 CG TYR A 76 -14.579 24.134 -2.554 1.00 8.04 C ATOM 596 CD1 TYR A 76 -14.463 24.966 -3.664 1.00 7.91 C ATOM 597 CD2 TYR A 76 -15.376 22.989 -2.668 1.00 7.57 C ATOM 598 CE1 TYR A 76 -15.126 24.676 -4.857 1.00 8.22 C ATOM 599 CE2 TYR A 76 -16.034 22.689 -3.851 1.00 7.63 C ATOM 600 CZ TYR A 76 -15.918 23.525 -4.944 1.00 6.87 C ATOM 601 OH TYR A 76 -16.598 23.227 -6.110 1.00 7.95 O ATOM 602 HH TYR A 76 -16.407 23.922 -6.789 1.00 0.00 H ATOM 603 H TYR A 76 -12.996 21.967 -0.431 1.00 0.00 H ATOM 604 N CYS A 77 -10.633 25.195 -0.306 1.00 8.21 N ATOM 605 CA CYS A 77 -9.687 25.615 0.730 1.00 10.12 C ATOM 606 C CYS A 77 -9.265 27.076 0.665 1.00 11.61 C ATOM 607 O CYS A 77 -8.285 27.465 1.341 1.00 10.86 O ATOM 608 CB CYS A 77 -8.467 24.680 0.719 1.00 11.61 C ATOM 609 SG CYS A 77 -7.669 24.445 -0.869 1.00 12.76 S ATOM 610 H CYS A 77 -10.479 25.508 -1.286 1.00 0.00 H ATOM 611 N SER A 78 -10.042 27.911 -0.049 1.00 9.86 N ATOM 612 CA SER A 78 -9.706 29.324 -0.196 1.00 10.57 C ATOM 613 C SER A 78 -9.848 30.105 1.112 1.00 9.73 C ATOM 614 O SER A 78 -9.202 31.141 1.263 1.00 9.05 O ATOM 615 CB SER A 78 -10.582 29.992 -1.259 1.00 10.79 C ATOM 616 OG SER A 78 -11.924 29.969 -0.831 1.00 15.77 O ATOM 617 HG SER A 78 -12.212 29.031 -0.703 1.00 0.00 H ATOM 618 H SER A 78 -10.900 27.542 -0.506 1.00 0.00 H ATOM 619 N ASN A 79 -10.697 29.610 2.018 1.00 9.75 N ATOM 620 CA ASN A 79 -10.957 30.217 3.334 1.00 8.52 C ATOM 621 C ASN A 79 -10.230 29.525 4.486 1.00 7.54 C ATOM 622 O ASN A 79 -10.621 29.675 5.669 1.00 7.86 O ATOM 623 CB ASN A 79 -12.465 30.213 3.599 1.00 8.72 C ATOM 624 CG ASN A 79 -13.018 28.804 3.776 1.00 10.64 C ATOM 625 OD1 ASN A 79 -12.382 27.833 3.398 1.00 13.24 O ATOM 626 ND2 ASN A 79 -14.200 28.697 4.372 1.00 11.69 N ATOM 627 HD22 ASN A 79 -14.707 29.552 4.678 1.00 0.00 H ATOM 628 HD21 ASN A 79 -14.618 27.758 4.533 1.00 0.00 H ATOM 629 H ASN A 79 -11.208 28.737 1.777 1.00 0.00 H ATOM 630 N ASP A 80 -9.185 28.779 4.149 1.00 8.16 N ATOM 631 CA ASP A 80 -8.473 27.932 5.110 1.00 9.49 C ATOM 632 C ASP A 80 -6.961 28.019 4.883 1.00 9.62 C ATOM 633 O ASP A 80 -6.520 28.268 3.755 1.00 7.31 O ATOM 634 CB ASP A 80 -8.943 26.499 4.941 1.00 9.35 C ATOM 635 CG ASP A 80 -8.593 25.626 6.129 1.00 10.38 C ATOM 636 OD1 ASP A 80 -9.410 25.579 7.071 1.00 10.61 O ATOM 637 OD2 ASP A 80 -7.488 25.057 6.149 1.00 10.68 O ATOM 638 H ASP A 80 -8.858 28.796 3.162 1.00 0.00 H ATOM 639 N LEU A 81 -6.198 27.772 5.949 1.00 10.10 N ATOM 640 CA LEU A 81 -4.734 27.656 5.861 1.00 11.83 C ATOM 641 C LEU A 81 -4.267 26.589 4.858 1.00 10.23 C ATOM 642 O LEU A 81 -3.232 26.767 4.256 1.00 8.95 O ATOM 643 CB LEU A 81 -4.098 27.378 7.239 1.00 14.26 C ATOM 644 CG LEU A 81 -3.513 28.630 7.871 1.00 24.09 C ATOM 645 CD1 LEU A 81 -3.163 28.432 9.339 1.00 17.92 C ATOM 646 CD2 LEU A 81 -2.279 29.070 7.091 1.00 26.18 C ATOM 647 H LEU A 81 -6.655 27.657 6.876 1.00 0.00 H ATOM 648 N LEU A 82 -5.059 25.544 4.643 1.00 9.13 N ATOM 649 CA LEU A 82 -4.747 24.547 3.620 1.00 8.68 C ATOM 650 C LEU A 82 -4.548 25.217 2.253 1.00 9.83 C ATOM 651 O LEU A 82 -3.646 24.825 1.509 1.00 9.22 O ATOM 652 CB LEU A 82 -5.813 23.433 3.555 1.00 10.64 C ATOM 653 CG LEU A 82 -5.545 22.369 2.485 1.00 13.49 C ATOM 654 CD1 LEU A 82 -4.220 21.683 2.778 1.00 13.74 C ATOM 655 CD2 LEU A 82 -6.716 21.389 2.461 1.00 11.45 C ATOM 656 H LEU A 82 -5.920 25.433 5.215 1.00 0.00 H ATOM 657 N GLY A 83 -5.348 26.239 1.931 1.00 9.63 N ATOM 658 CA GLY A 83 -5.214 26.968 0.675 1.00 9.93 C ATOM 659 C GLY A 83 -3.889 27.689 0.537 1.00 9.20 C ATOM 660 O GLY A 83 -3.312 27.760 -0.551 1.00 10.94 O ATOM 661 H GLY A 83 -6.092 26.524 2.600 1.00 0.00 H ATOM 662 N ASP A 84 -3.409 28.240 1.644 1.00 11.20 N ATOM 663 CA ASP A 84 -2.103 28.889 1.692 1.00 12.24 C ATOM 664 C ASP A 84 -0.965 27.885 1.540 1.00 12.40 C ATOM 665 O ASP A 84 -0.002 28.165 0.806 1.00 12.71 O ATOM 666 CB ASP A 84 -1.932 29.657 2.991 1.00 15.75 C ATOM 667 CG ASP A 84 -2.943 30.779 3.139 1.00 23.27 C ATOM 668 OD1 ASP A 84 -3.113 31.570 2.182 1.00 30.10 O ATOM 669 OD2 ASP A 84 -3.580 30.845 4.209 1.00 33.33 O ATOM 670 H ASP A 84 -3.985 28.208 2.510 1.00 0.00 H ATOM 671 N LEU A 85 -1.083 26.730 2.209 1.00 12.87 N ATOM 672 CA LEU A 85 -0.122 25.628 2.065 1.00 14.12 C ATOM 673 C LEU A 85 0.038 25.191 0.614 1.00 12.48 C ATOM 674 O LEU A 85 1.153 25.063 0.107 1.00 14.81 O ATOM 675 CB LEU A 85 -0.570 24.412 2.883 1.00 16.09 C ATOM 676 CG LEU A 85 -0.022 24.313 4.305 1.00 20.16 C ATOM 677 CD1 LEU A 85 -0.429 23.006 4.969 1.00 24.55 C ATOM 678 CD2 LEU A 85 1.496 24.437 4.259 1.00 21.43 C ATOM 679 H LEU A 85 -1.888 26.609 2.857 1.00 0.00 H ATOM 680 N PHE A 86 -1.099 24.957 -0.040 1.00 12.34 N ATOM 681 CA PHE A 86 -1.130 24.434 -1.408 1.00 13.22 C ATOM 682 C PHE A 86 -1.107 25.475 -2.515 1.00 16.18 C ATOM 683 O PHE A 86 -0.829 25.115 -3.666 1.00 18.69 O ATOM 684 CB PHE A 86 -2.361 23.534 -1.565 1.00 13.98 C ATOM 685 CG PHE A 86 -2.215 22.147 -0.952 1.00 11.38 C ATOM 686 CD1 PHE A 86 -1.139 21.771 -0.127 1.00 12.38 C ATOM 687 CD2 PHE A 86 -3.214 21.228 -1.161 1.00 11.95 C ATOM 688 CE1 PHE A 86 -1.064 20.489 0.415 1.00 13.05 C ATOM 689 CE2 PHE A 86 -3.140 19.948 -0.622 1.00 12.06 C ATOM 690 CZ PHE A 86 -2.084 19.591 0.191 1.00 13.24 C ATOM 691 H PHE A 86 -2.000 25.154 0.440 1.00 0.00 H ATOM 692 N GLY A 87 -1.417 26.734 -2.204 1.00 11.69 N ATOM 693 CA GLY A 87 -1.393 27.818 -3.200 1.00 12.40 C ATOM 694 C GLY A 87 -2.543 27.748 -4.206 1.00 11.06 C ATOM 695 O GLY A 87 -2.424 28.241 -5.304 1.00 12.00 O ATOM 696 H GLY A 87 -1.685 26.958 -1.224 1.00 0.00 H ATOM 697 N VAL A 88 -3.650 27.102 -3.828 1.00 14.75 N ATOM 698 CA VAL A 88 -4.840 26.998 -4.675 1.00 12.22 C ATOM 699 C VAL A 88 -6.113 27.227 -3.856 1.00 13.45 C ATOM 700 O VAL A 88 -6.134 26.912 -2.653 1.00 13.71 O ATOM 701 CB VAL A 88 -4.919 25.613 -5.372 1.00 13.51 C ATOM 702 CG1 VAL A 88 -3.737 25.417 -6.311 1.00 13.90 C ATOM 703 CG2 VAL A 88 -4.998 24.483 -4.349 1.00 11.86 C ATOM 704 H VAL A 88 -3.667 26.653 -2.890 1.00 0.00 H ATOM 705 N PRO A 89 -7.186 27.724 -4.502 1.00 12.58 N ATOM 706 CA PRO A 89 -8.467 27.895 -3.804 1.00 9.85 C ATOM 707 C PRO A 89 -9.254 26.601 -3.685 1.00 10.23 C ATOM 708 O PRO A 89 -10.141 26.518 -2.852 1.00 10.58 O ATOM 709 CB PRO A 89 -9.229 28.876 -4.692 1.00 13.38 C ATOM 710 CG PRO A 89 -8.714 28.591 -6.053 1.00 13.48 C ATOM 711 CD PRO A 89 -7.256 28.276 -5.879 1.00 13.28 C ATOM 712 N SER A 90 -8.913 25.620 -4.519 1.00 10.49 N ATOM 713 CA SER A 90 -9.570 24.320 -4.563 1.00 10.52 C ATOM 714 C SER A 90 -8.741 23.326 -5.380 1.00 10.14 C ATOM 715 O SER A 90 -7.878 23.717 -6.162 1.00 9.22 O ATOM 716 CB SER A 90 -10.969 24.455 -5.173 1.00 9.85 C ATOM 717 OG SER A 90 -10.893 24.869 -6.533 1.00 9.65 O ATOM 718 HG SER A 90 -10.382 24.199 -7.053 1.00 0.00 H ATOM 719 H SER A 90 -8.129 25.793 -5.180 1.00 0.00 H ATOM 720 N PHE A 91 -9.056 22.047 -5.236 1.00 9.06 N ATOM 721 CA PHE A 91 -8.446 21.013 -6.053 1.00 8.66 C ATOM 722 C PHE A 91 -9.288 19.744 -5.992 1.00 9.50 C ATOM 723 O PHE A 91 -10.096 19.555 -5.078 1.00 8.96 O ATOM 724 CB PHE A 91 -7.007 20.729 -5.605 1.00 8.14 C ATOM 725 CG PHE A 91 -6.917 20.231 -4.197 1.00 8.29 C ATOM 726 CD1 PHE A 91 -6.908 21.123 -3.122 1.00 9.91 C ATOM 727 CD2 PHE A 91 -6.914 18.870 -3.928 1.00 9.97 C ATOM 728 CE1 PHE A 91 -6.831 20.677 -1.823 1.00 8.84 C ATOM 729 CE2 PHE A 91 -6.843 18.414 -2.619 1.00 8.94 C ATOM 730 CZ PHE A 91 -6.814 19.316 -1.561 1.00 9.90 C ATOM 731 H PHE A 91 -9.759 21.776 -4.519 1.00 0.00 H ATOM 732 N SER A 92 -9.075 18.884 -6.976 1.00 8.64 N ATOM 733 CA SER A 92 -9.732 17.599 -7.050 1.00 9.61 C ATOM 734 C SER A 92 -8.938 16.587 -6.279 1.00 10.45 C ATOM 735 O SER A 92 -7.719 16.494 -6.432 1.00 8.29 O ATOM 736 CB SER A 92 -9.840 17.127 -8.498 1.00 9.17 C ATOM 737 OG SER A 92 -10.287 15.790 -8.572 1.00 8.60 O ATOM 738 HG SER A 92 -10.346 15.515 -9.521 1.00 0.00 H ATOM 739 H SER A 92 -8.406 19.145 -7.728 1.00 0.00 H ATOM 740 N VAL A 93 -9.645 15.773 -5.500 1.00 9.85 N ATOM 741 CA VAL A 93 -9.016 14.685 -4.762 1.00 8.94 C ATOM 742 C VAL A 93 -8.590 13.512 -5.673 1.00 9.71 C ATOM 743 O VAL A 93 -7.909 12.602 -5.215 1.00 13.65 O ATOM 744 CB VAL A 93 -9.930 14.157 -3.631 1.00 9.20 C ATOM 745 CG1 VAL A 93 -10.330 15.286 -2.692 1.00 8.31 C ATOM 746 CG2 VAL A 93 -11.135 13.453 -4.216 1.00 9.70 C ATOM 747 H VAL A 93 -10.672 15.916 -5.416 1.00 0.00 H ATOM 748 N LYS A 94 -9.016 13.542 -6.934 1.00 9.69 N ATOM 749 CA LYS A 94 -8.632 12.543 -7.956 1.00 12.06 C ATOM 750 C LYS A 94 -7.285 12.827 -8.647 1.00 13.89 C ATOM 751 O LYS A 94 -6.726 11.927 -9.280 1.00 13.28 O ATOM 752 CB LYS A 94 -9.715 12.451 -9.039 1.00 14.20 C ATOM 753 CG LYS A 94 -11.123 12.103 -8.547 1.00 15.54 C ATOM 754 CD LYS A 94 -11.172 10.864 -7.657 1.00 20.08 C ATOM 755 CE LYS A 94 -10.661 9.613 -8.372 1.00 26.44 C ATOM 756 NZ LYS A 94 -10.734 8.382 -7.531 1.00 25.72 N ATOM 757 HZ1 LYS A 94 -10.157 8.513 -6.676 1.00 0.00 H ATOM 758 HZ2 LYS A 94 -11.723 8.207 -7.260 1.00 0.00 H ATOM 759 HZ3 LYS A 94 -10.373 7.571 -8.073 1.00 0.00 H ATOM 760 H LYS A 94 -9.655 14.312 -7.217 1.00 0.00 H ATOM 761 N GLU A 95 -6.793 14.061 -8.533 1.00 12.21 N ATOM 762 CA GLU A 95 -5.575 14.514 -9.204 1.00 13.59 C ATOM 763 C GLU A 95 -4.392 14.216 -8.283 1.00 8.96 C ATOM 764 O GLU A 95 -3.839 15.100 -7.625 1.00 10.23 O ATOM 765 CB GLU A 95 -5.648 16.024 -9.511 1.00 12.40 C ATOM 766 CG GLU A 95 -6.616 16.408 -10.623 1.00 17.30 C ATOM 767 CD GLU A 95 -6.653 17.916 -10.814 1.00 15.64 C ATOM 768 OE1 GLU A 95 -7.129 18.626 -9.907 1.00 22.88 O ATOM 769 OE2 GLU A 95 -6.182 18.391 -11.858 1.00 20.75 O ATOM 770 H GLU A 95 -7.304 14.740 -7.933 1.00 0.00 H ATOM 771 N HIS A 96 -4.012 12.952 -8.245 1.00 9.70 N ATOM 772 CA HIS A 96 -3.042 12.482 -7.251 1.00 9.86 C ATOM 773 C HIS A 96 -1.646 13.049 -7.381 1.00 9.55 C ATOM 774 O HIS A 96 -1.077 13.482 -6.383 1.00 7.85 O ATOM 775 CB HIS A 96 -2.976 10.974 -7.252 1.00 14.26 C ATOM 776 CG HIS A 96 -4.294 10.322 -6.971 1.00 16.34 C ATOM 777 ND1 HIS A 96 -4.688 9.193 -7.585 1.00 21.83 N ATOM 778 CD2 HIS A 96 -5.358 10.735 -6.179 1.00 13.81 C ATOM 779 CE1 HIS A 96 -5.916 8.862 -7.135 1.00 19.62 C ATOM 780 NE2 HIS A 96 -6.314 9.808 -6.274 1.00 18.13 N ATOM 781 H HIS A 96 -4.407 12.278 -8.932 1.00 0.00 H ATOM 782 N ARG A 97 -1.079 13.061 -8.590 1.00 9.65 N ATOM 783 CA ARG A 97 0.253 13.659 -8.754 1.00 9.16 C ATOM 784 C ARG A 97 0.306 15.134 -8.338 1.00 9.47 C ATOM 785 O ARG A 97 1.276 15.542 -7.705 1.00 9.05 O ATOM 786 CB ARG A 97 0.823 13.452 -10.141 1.00 8.75 C ATOM 787 CG ARG A 97 1.206 12.007 -10.367 1.00 8.91 C ATOM 788 CD ARG A 97 1.562 11.756 -11.808 1.00 10.30 C ATOM 789 NE ARG A 97 0.444 11.983 -12.722 1.00 9.84 N ATOM 790 CZ ARG A 97 0.509 11.804 -14.040 1.00 11.26 C ATOM 791 NH1 ARG A 97 1.629 11.363 -14.626 1.00 9.94 N ATOM 792 NH2 ARG A 97 -0.570 12.037 -14.783 1.00 13.67 N ATOM 793 HE ARG A 97 -0.459 12.304 -12.318 1.00 0.00 H ATOM 794 HH12 ARG A 97 1.659 11.230 -15.657 1.00 0.00 H ATOM 795 HH11 ARG A 97 2.469 11.153 -14.050 1.00 0.00 H ATOM 796 HH22 ARG A 97 -0.531 11.901 -15.813 1.00 0.00 H ATOM 797 HH21 ARG A 97 -1.452 12.355 -14.333 1.00 0.00 H ATOM 798 H ARG A 97 -1.575 12.651 -9.407 1.00 0.00 H ATOM 799 N LYS A 98 -0.735 15.909 -8.656 1.00 8.53 N ATOM 800 CA LYS A 98 -0.806 17.309 -8.253 1.00 10.82 C ATOM 801 C LYS A 98 -0.809 17.447 -6.737 1.00 9.00 C ATOM 802 O LYS A 98 -0.154 18.326 -6.198 1.00 9.35 O ATOM 803 CB LYS A 98 -2.042 17.995 -8.854 1.00 13.03 C ATOM 804 CG LYS A 98 -2.255 19.435 -8.385 1.00 17.05 C ATOM 805 CD LYS A 98 -3.170 20.230 -9.307 1.00 22.03 C ATOM 806 CE LYS A 98 -4.032 21.216 -8.519 1.00 24.84 C ATOM 807 NZ LYS A 98 -4.620 22.261 -9.397 1.00 30.34 N ATOM 808 HZ1 LYS A 98 -3.856 22.793 -9.860 1.00 0.00 H ATOM 809 HZ2 LYS A 98 -5.217 21.810 -10.119 1.00 0.00 H ATOM 810 HZ3 LYS A 98 -5.197 22.909 -8.824 1.00 0.00 H ATOM 811 H LYS A 98 -1.518 15.502 -9.207 1.00 0.00 H ATOM 812 N ILE A 99 -1.555 16.574 -6.061 1.00 8.33 N ATOM 813 CA ILE A 99 -1.586 16.565 -4.612 1.00 7.98 C ATOM 814 C ILE A 99 -0.203 16.295 -4.029 1.00 8.22 C ATOM 815 O ILE A 99 0.242 17.037 -3.147 1.00 9.67 O ATOM 816 CB ILE A 99 -2.651 15.593 -4.040 1.00 8.55 C ATOM 817 CG1 ILE A 99 -4.052 16.135 -4.368 1.00 8.61 C ATOM 818 CG2 ILE A 99 -2.482 15.414 -2.536 1.00 11.41 C ATOM 819 CD1 ILE A 99 -5.142 15.076 -4.314 1.00 9.04 C ATOM 820 H ILE A 99 -2.128 15.883 -6.585 1.00 0.00 H ATOM 821 N TYR A 100 0.474 15.265 -4.549 1.00 8.16 N ATOM 822 CA TYR A 100 1.832 14.957 -4.114 1.00 8.75 C ATOM 823 C TYR A 100 2.772 16.150 -4.287 1.00 8.70 C ATOM 824 O TYR A 100 3.560 16.456 -3.387 1.00 8.42 O ATOM 825 CB TYR A 100 2.381 13.698 -4.785 1.00 10.75 C ATOM 826 CG TYR A 100 1.870 12.440 -4.148 1.00 12.11 C ATOM 827 CD1 TYR A 100 2.263 12.082 -2.867 1.00 15.08 C ATOM 828 CD2 TYR A 100 0.947 11.639 -4.798 1.00 16.46 C ATOM 829 CE1 TYR A 100 1.765 10.924 -2.274 1.00 18.22 C ATOM 830 CE2 TYR A 100 0.458 10.484 -4.218 1.00 20.94 C ATOM 831 CZ TYR A 100 0.868 10.139 -2.948 1.00 18.47 C ATOM 832 OH TYR A 100 0.372 8.982 -2.389 1.00 22.45 O ATOM 833 HH TYR A 100 0.752 8.866 -1.482 1.00 0.00 H ATOM 834 H TYR A 100 0.024 14.673 -5.276 1.00 0.00 H ATOM 835 N THR A 101 2.668 16.840 -5.415 1.00 8.41 N ATOM 836 CA THR A 101 3.534 17.969 -5.704 1.00 8.49 C ATOM 837 C THR A 101 3.264 19.112 -4.726 1.00 10.90 C ATOM 838 O THR A 101 4.213 19.695 -4.200 1.00 10.25 O ATOM 839 CB THR A 101 3.330 18.453 -7.134 1.00 7.48 C ATOM 840 OG1 THR A 101 3.711 17.406 -8.030 1.00 7.78 O ATOM 841 CG2 THR A 101 4.145 19.729 -7.421 1.00 8.00 C ATOM 842 HG1 THR A 101 3.150 16.608 -7.861 1.00 0.00 H ATOM 843 H THR A 101 1.946 16.565 -6.112 1.00 0.00 H ATOM 844 N MET A 102 1.987 19.392 -4.463 1.00 9.66 N ATOM 845 CA MET A 102 1.604 20.454 -3.521 1.00 11.40 C ATOM 846 C MET A 102 2.132 20.148 -2.127 1.00 11.98 C ATOM 847 O MET A 102 2.646 21.046 -1.437 1.00 13.79 O ATOM 848 CB MET A 102 0.082 20.683 -3.526 1.00 11.71 C ATOM 849 CG MET A 102 -0.364 21.322 -4.820 1.00 11.60 C ATOM 850 SD MET A 102 -2.103 21.774 -4.864 1.00 14.21 S ATOM 851 CE MET A 102 -2.946 20.209 -4.623 1.00 15.98 C ATOM 852 H MET A 102 1.241 18.844 -4.937 1.00 0.00 H ATOM 853 N ILE A 103 2.054 18.876 -1.738 1.00 10.38 N ATOM 854 CA ILE A 103 2.552 18.432 -0.443 1.00 11.23 C ATOM 855 C ILE A 103 4.087 18.512 -0.371 1.00 10.44 C ATOM 856 O ILE A 103 4.622 19.013 0.629 1.00 11.55 O ATOM 857 CB ILE A 103 2.046 17.001 -0.101 1.00 11.33 C ATOM 858 CG1 ILE A 103 0.524 16.999 0.130 1.00 11.19 C ATOM 859 CG2 ILE A 103 2.716 16.472 1.160 1.00 11.78 C ATOM 860 CD1 ILE A 103 -0.126 15.618 0.099 1.00 12.03 C ATOM 861 H ILE A 103 1.624 18.179 -2.379 1.00 0.00 H ATOM 862 N TYR A 104 4.768 18.021 -1.421 1.00 11.76 N ATOM 863 CA TYR A 104 6.250 17.981 -1.484 1.00 14.07 C ATOM 864 C TYR A 104 6.901 19.342 -1.233 1.00 14.28 C ATOM 865 O TYR A 104 7.946 19.419 -0.572 1.00 14.08 O ATOM 866 CB TYR A 104 6.749 17.456 -2.840 1.00 14.14 C ATOM 867 CG TYR A 104 6.920 15.946 -2.967 1.00 14.50 C ATOM 868 CD1 TYR A 104 7.732 15.234 -2.093 1.00 16.81 C ATOM 869 CD2 TYR A 104 6.315 15.243 -4.009 1.00 15.16 C ATOM 870 CE1 TYR A 104 7.885 13.867 -2.214 1.00 15.44 C ATOM 871 CE2 TYR A 104 6.469 13.876 -4.144 1.00 14.08 C ATOM 872 CZ TYR A 104 7.261 13.194 -3.251 1.00 15.29 C ATOM 873 OH TYR A 104 7.431 11.827 -3.383 1.00 16.03 O ATOM 874 HH TYR A 104 6.551 11.378 -3.316 1.00 0.00 H ATOM 875 H TYR A 104 4.229 17.651 -2.230 1.00 0.00 H ATOM 876 N ARG A 105 6.280 20.404 -1.742 1.00 12.91 N ATOM 877 CA ARG A 105 6.820 21.767 -1.609 1.00 14.16 C ATOM 878 C ARG A 105 6.717 22.320 -0.175 1.00 12.38 C ATOM 879 O ARG A 105 7.334 23.334 0.135 1.00 14.12 O ATOM 880 CB ARG A 105 6.136 22.697 -2.597 1.00 16.05 C ATOM 881 CG ARG A 105 6.465 22.339 -4.038 1.00 16.42 C ATOM 882 CD ARG A 105 5.973 23.424 -4.966 1.00 19.71 C ATOM 883 NE ARG A 105 6.088 23.047 -6.374 1.00 16.89 N ATOM 884 CZ ARG A 105 5.117 23.124 -7.283 1.00 23.69 C ATOM 885 NH1 ARG A 105 3.888 23.550 -6.972 1.00 23.83 N ATOM 886 NH2 ARG A 105 5.380 22.771 -8.535 1.00 20.93 N ATOM 887 HE ARG A 105 7.010 22.687 -6.694 1.00 0.00 H ATOM 888 HH12 ARG A 105 3.153 23.598 -7.706 1.00 0.00 H ATOM 889 HH11 ARG A 105 3.667 23.833 -5.996 1.00 0.00 H ATOM 890 HH22 ARG A 105 4.634 22.825 -9.258 1.00 0.00 H ATOM 891 HH21 ARG A 105 6.332 22.441 -8.793 1.00 0.00 H ATOM 892 H ARG A 105 5.383 20.266 -2.251 1.00 0.00 H ATOM 893 N ASN A 106 5.975 21.617 0.678 1.00 10.48 N ATOM 894 CA ASN A 106 5.827 21.904 2.091 1.00 11.00 C ATOM 895 C ASN A 106 6.574 20.935 3.029 1.00 9.78 C ATOM 896 O ASN A 106 6.286 20.874 4.233 1.00 11.80 O ATOM 897 CB ASN A 106 4.338 21.937 2.408 1.00 13.98 C ATOM 898 CG ASN A 106 3.662 23.177 1.834 1.00 15.66 C ATOM 899 OD1 ASN A 106 3.921 24.280 2.298 1.00 15.05 O ATOM 900 ND2 ASN A 106 2.859 23.008 0.775 1.00 12.92 N ATOM 901 HD22 ASN A 106 2.667 22.051 0.415 1.00 0.00 H ATOM 902 HD21 ASN A 106 2.427 23.834 0.313 1.00 0.00 H ATOM 903 H ASN A 106 5.460 20.796 0.300 1.00 0.00 H ATOM 904 N LEU A 107 7.546 20.212 2.495 1.00 10.27 N ATOM 905 CA LEU A 107 8.356 19.295 3.297 1.00 11.11 C ATOM 906 C LEU A 107 9.729 19.048 2.702 1.00 11.32 C ATOM 907 O LEU A 107 10.046 19.482 1.580 1.00 8.98 O ATOM 908 CB LEU A 107 7.623 17.964 3.503 1.00 11.79 C ATOM 909 CG LEU A 107 7.145 17.175 2.271 1.00 9.64 C ATOM 910 CD1 LEU A 107 8.284 16.395 1.623 1.00 10.99 C ATOM 911 CD2 LEU A 107 6.019 16.227 2.671 1.00 8.17 C ATOM 912 H LEU A 107 7.739 20.298 1.477 1.00 0.00 H ATOM 913 N VAL A 108 10.538 18.348 3.487 1.00 11.04 N ATOM 914 CA VAL A 108 11.858 17.896 3.085 1.00 10.51 C ATOM 915 C VAL A 108 11.864 16.377 3.216 1.00 9.17 C ATOM 916 O VAL A 108 11.625 15.834 4.299 1.00 8.04 O ATOM 917 CB VAL A 108 12.980 18.528 3.955 1.00 11.10 C ATOM 918 CG1 VAL A 108 14.337 17.909 3.628 1.00 10.03 C ATOM 919 CG2 VAL A 108 13.046 20.048 3.746 1.00 13.97 C ATOM 920 H VAL A 108 10.208 18.110 4.444 1.00 0.00 H ATOM 921 N VAL A 109 12.219 15.707 2.123 1.00 9.40 N ATOM 922 CA VAL A 109 12.399 14.261 2.136 1.00 8.79 C ATOM 923 C VAL A 109 13.685 13.926 2.859 1.00 9.25 C ATOM 924 O VAL A 109 14.727 14.593 2.649 1.00 10.91 O ATOM 925 CB VAL A 109 12.385 13.670 0.713 1.00 9.59 C ATOM 926 CG1 VAL A 109 12.640 12.177 0.784 1.00 7.69 C ATOM 927 CG2 VAL A 109 11.032 13.943 0.076 1.00 8.97 C ATOM 928 H VAL A 109 12.372 16.229 1.236 1.00 0.00 H ATOM 929 N VAL A 110 13.635 12.902 3.705 1.00 9.43 N ATOM 930 CA VAL A 110 14.831 12.472 4.423 1.00 15.50 C ATOM 931 C VAL A 110 15.210 11.022 4.070 1.00 16.24 C ATOM 932 O VAL A 110 14.350 10.171 3.839 1.00 18.04 O ATOM 933 CB VAL A 110 14.729 12.739 5.934 1.00 17.97 C ATOM 934 CG1 VAL A 110 14.649 14.245 6.173 1.00 23.12 C ATOM 935 CG2 VAL A 110 13.531 12.051 6.553 1.00 15.64 C ATOM 936 H VAL A 110 12.735 12.403 3.857 1.00 0.00 H ATOM 937 N ASN A 111 16.509 10.771 4.013 1.00 18.69 N ATOM 938 CA ASN A 111 17.053 9.444 3.715 1.00 17.13 C ATOM 939 C ASN A 111 18.428 9.278 4.367 1.00 23.58 C ATOM 940 O ASN A 111 19.297 10.131 4.207 1.00 30.13 O ATOM 941 CB ASN A 111 17.153 9.240 2.191 1.00 17.22 C ATOM 942 CG ASN A 111 15.936 8.546 1.604 1.00 16.48 C ATOM 943 OD1 ASN A 111 15.590 7.443 2.020 1.00 19.32 O ATOM 944 ND2 ASN A 111 15.285 9.184 0.636 1.00 12.50 N ATOM 945 HD22 ASN A 111 15.614 10.117 0.315 1.00 0.00 H ATOM 946 HD21 ASN A 111 14.447 8.750 0.200 1.00 0.00 H ATOM 947 H ASN A 111 17.173 11.552 4.188 1.00 0.00 H TER 948 ASN A 111 HETATM 949 O HOH 1 -19.727 21.617 -2.638 1.00 25.61 O HETATM 950 O HOH 2 -7.070 19.621 -8.941 1.00 17.19 O HETATM 951 O HOH 3 4.473 19.574 20.118 1.00 21.27 O HETATM 952 O HOH 4 -0.252 11.148 16.112 1.00 34.56 O HETATM 953 O HOH 5 -14.380 24.458 7.987 1.00 18.07 O HETATM 954 O HOH 6 -16.361 17.431 3.859 1.00 37.24 O HETATM 955 O HOH 7 -14.176 10.303 -1.787 1.00 40.57 O HETATM 956 O HOH 8 -12.921 7.356 -8.452 1.00 29.48 O HETATM 957 O HOH 9 3.454 4.942 8.043 1.00 28.01 O HETATM 958 O HOH 10 -13.958 25.589 2.189 1.00 30.17 O HETATM 959 O HOH 11 -5.506 25.875 10.011 1.00 27.30 O HETATM 960 O HOH 12 5.037 24.931 12.978 1.00 32.88 O HETATM 961 O HOH 13 -12.578 32.537 -0.079 1.00 35.62 O HETATM 962 O HOH 14 12.336 8.462 2.508 1.00 22.63 O HETATM 963 O HOH 15 -10.720 22.764 -8.334 1.00 32.55 O HETATM 964 O HOH 16 -1.204 23.627 15.332 1.00 28.00 O HETATM 965 O HOH 17 -6.746 8.710 4.309 1.00 19.03 O HETATM 966 O HOH 18 4.841 14.491 20.689 1.00 29.96 O HETATM 967 O HOH 19 2.579 5.350 12.048 1.00 25.24 O HETATM 968 O HOH 20 0.262 25.174 -6.267 1.00 35.08 O HETATM 969 O HOH 21 12.899 16.744 -0.421 1.00 33.51 O HETATM 970 O HOH 22 11.620 20.479 6.957 1.00 33.46 O HETATM 971 O HOH 23 -8.878 18.755 14.509 1.00 30.35 O HETATM 972 O HOH 24 4.813 24.230 5.020 1.00 23.25 O HETATM 973 O HOH 25 9.514 22.635 10.466 1.00 36.47 O HETATM 974 O HOH 26 -7.048 6.619 -3.847 1.00 37.86 O HETATM 975 O HOH 27 -7.742 10.488 6.100 1.00 19.26 O HETATM 976 O HOH 28 -13.590 27.719 0.070 1.00 28.62 O HETATM 977 O HOH 29 -16.394 24.046 6.268 1.00 35.72 O HETATM 978 O HOH 30 9.928 18.935 10.847 1.00 34.11 O HETATM 979 O HOH 31 -15.464 26.025 4.590 1.00 26.94 O HETATM 980 O HOH 32 -3.026 8.107 -9.951 1.00 44.09 O HETATM 981 O HOH 33 4.436 0.010 0.002 1.00 59.83 O HETATM 982 O HOH 34 8.556 19.080 14.988 1.00 36.89 O HETATM 983 O HOH 35 -7.497 27.635 8.853 1.00 10.18 O HETATM 984 O HOH 36 10.157 3.899 5.970 1.00 44.89 O HETATM 985 O HOH 37 -16.622 25.755 -8.297 1.00 41.33 O HETATM 986 O HOH 38 -8.819 21.576 -10.030 1.00 49.77 O HETATM 987 O HOH 39 4.177 7.221 -13.134 1.00 42.43 O HETATM 988 O HOH 40 -2.065 6.837 -4.131 1.00 41.61 O HETATM 989 O HOH 41 -0.314 5.921 1.099 1.00 41.37 O HETATM 990 O HOH 42 -8.038 32.412 4.920 1.00 41.75 O HETATM 991 O HOH 43 -14.887 7.856 -6.224 1.00 49.37 O HETATM 992 C4 UNN A 44 -4.134 8.880 -1.323 1.00 -0.07 C HETATM 993 C5 UNN A 44 -5.442 9.259 -0.973 1.00 -0.06 C HETATM 994 C6 UNN A 44 -5.992 10.464 -1.446 1.00 -0.04 C HETATM 995 C7 UNN A 44 -5.184 11.285 -2.240 1.00 -0.05 C HETATM 996 C2 UNN A 44 -3.886 10.895 -2.576 1.00 0.03 C HETATM 997 CL1 UNN A 44 -2.911 11.929 -3.575 1.00 -0.07 CL HETATM 998 C3 UNN A 44 -3.352 9.706 -2.109 1.00 -0.05 C HETATM 999 H14 UNN A 44 -2.334 9.426 -2.356 1.00 0.06 H HETATM 1000 H3 UNN A 44 -5.569 12.233 -2.598 1.00 0.06 H HETATM 1001 C8 UNN A 44 -7.392 10.959 -1.113 1.00 0.06 C HETATM 1002 C10 UNN A 44 -8.467 9.860 -0.980 1.00 0.03 C HETATM 1003 N12 UNN A 44 -9.271 9.610 -2.233 1.00 0.25 N HETATM 1004 C13 UNN A 44 -10.345 10.622 -2.240 1.00 -0.02 C HETATM 1005 C14 UNN A 44 -10.800 10.617 -0.781 1.00 0.04 C HETATM 1006 C15 UNN A 44 -9.484 10.465 0.037 1.00 0.02 C HETATM 1007 N17 UNN A 44 -8.919 11.788 0.447 1.00 0.19 N HETATM 1008 C22 UNN A 44 -7.449 11.689 0.254 1.00 0.08 C HETATM 1009 C23 UNN A 44 -6.732 10.972 1.408 1.00 0.26 C HETATM 1010 O24 UNN A 44 -6.921 9.828 1.758 1.00 -0.31 O HETATM 1011 N25 UNN A 44 -5.816 11.802 1.916 1.00 -0.22 N HETATM 1012 C26 UNN A 44 -5.809 13.036 1.242 1.00 0.10 C HETATM 1013 C27 UNN A 44 -5.017 14.173 1.441 1.00 0.00 C HETATM 1014 C28 UNN A 44 -5.173 15.296 0.637 1.00 0.06 C HETATM 1015 CL2 UNN A 44 -4.172 16.701 0.845 1.00 -0.05 CL HETATM 1016 C30 UNN A 44 -6.116 15.274 -0.389 1.00 -0.03 C HETATM 1017 C31 UNN A 44 -6.912 14.157 -0.599 1.00 -0.05 C HETATM 1018 C32 UNN A 44 -6.770 13.032 0.200 1.00 0.02 C HETATM 1019 H24 UNN A 44 -7.650 14.164 -1.393 1.00 0.08 H HETATM 1020 H23 UNN A 44 -6.229 16.140 -1.031 1.00 0.06 H HETATM 1021 H22 UNN A 44 -4.274 14.178 2.231 1.00 0.06 H HETATM 1022 H21 UNN A 44 -5.212 11.574 2.679 1.00 0.24 H HETATM 1023 C18 UNN A 44 -9.389 12.278 1.774 1.00 -0.03 C HETATM 1024 C19 UNN A 44 -10.729 13.027 1.672 1.00 -0.00 C HETATM 1025 C20 UNN A 44 -10.849 14.328 2.479 1.00 -0.04 C HETATM 1026 C21 UNN A 44 -10.700 14.367 0.951 1.00 -0.04 C HETATM 1027 H12 UNN A 44 -9.764 14.727 0.499 1.00 0.03 H HETATM 1028 H13 UNN A 44 -11.551 14.672 0.324 1.00 0.03 H HETATM 1029 H10 UNN A 44 -11.806 14.601 2.947 1.00 0.03 H HETATM 1030 H11 UNN A 44 -10.020 14.656 3.123 1.00 0.03 H HETATM 1031 H20 UNN A 44 -11.575 12.332 1.567 1.00 0.04 H HETATM 1032 H18 UNN A 44 -8.632 12.960 2.189 1.00 0.08 H HETATM 1033 H19 UNN A 44 -9.514 11.416 2.446 1.00 0.08 H HETATM 1034 H17 UNN A 44 -9.252 12.470 -0.216 1.00 0.20 H HETATM 1035 H9 UNN A 44 -9.635 9.818 0.913 1.00 0.09 H HETATM 1036 H15 UNN A 44 -11.478 9.772 -0.588 1.00 0.04 H HETATM 1037 H16 UNN A 44 -11.308 11.560 -0.529 1.00 0.04 H HETATM 1038 H7 UNN A 44 -11.164 10.331 -2.914 1.00 0.08 H HETATM 1039 H8 UNN A 44 -9.961 11.610 -2.535 1.00 0.08 H HETATM 1040 C33 UNN A 44 -8.460 9.586 -3.482 1.00 0.02 C HETATM 1041 C34 UNN A 44 -9.246 9.076 -4.647 1.00 0.08 C HETATM 1042 O35 UNN A 44 -10.485 8.589 -4.495 1.00 -0.56 O HETATM 1043 O36 UNN A 44 -8.757 9.096 -5.741 1.00 -0.56 O HETATM 1044 H25 UNN A 44 -7.588 8.933 -3.328 1.00 0.10 H HETATM 1045 H26 UNN A 44 -8.118 10.608 -3.704 1.00 0.10 H HETATM 1046 H6 UNN A 44 -9.699 8.701 -2.152 1.00 0.21 H HETATM 1047 H5 UNN A 44 -8.018 8.922 -0.621 1.00 0.09 H HETATM 1048 H4 UNN A 44 -7.690 11.653 -1.913 1.00 0.04 H HETATM 1049 H2 UNN A 44 -6.033 8.615 -0.332 1.00 0.06 H HETATM 1050 H1 UNN A 44 -3.736 7.934 -0.974 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 992 993 998 1050 CONECT 993 992 994 1049 CONECT 994 993 995 1001 CONECT 995 994 996 1000 CONECT 996 995 997 998 CONECT 997 996 CONECT 998 992 996 999 CONECT 999 998 CONECT 1000 995 CONECT 1001 994 1002 1008 1048 CONECT 1002 1001 1003 1006 1047 CONECT 1003 1002 1004 1040 1046 CONECT 1004 1003 1005 1038 1039 CONECT 1005 1004 1006 1036 1037 CONECT 1006 1002 1005 1007 1035 CONECT 1007 1006 1008 1023 1034 CONECT 1008 1001 1007 1009 1018 CONECT 1009 1008 1010 1011 CONECT 1010 1009 CONECT 1011 1009 1012 1022 CONECT 1012 1011 1013 1018 CONECT 1013 1012 1014 1021 CONECT 1014 1013 1015 1016 CONECT 1015 1014 CONECT 1016 1014 1017 1020 CONECT 1017 1016 1018 1019 CONECT 1018 1008 1012 1017 CONECT 1019 1017 CONECT 1020 1016 CONECT 1021 1013 CONECT 1022 1011 CONECT 1023 1007 1024 1032 1033 CONECT 1024 1023 1025 1026 1031 CONECT 1025 1024 1026 1029 1030 CONECT 1026 1024 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 CONECT 1029 1025 CONECT 1030 1025 CONECT 1031 1024 CONECT 1032 1023 CONECT 1033 1023 CONECT 1034 1007 CONECT 1035 1006 CONECT 1036 1005 CONECT 1037 1005 CONECT 1038 1004 CONECT 1039 1004 CONECT 1040 1003 1041 1044 1045 CONECT 1041 1040 1042 1043 CONECT 1042 1041 CONECT 1043 1041 CONECT 1044 1040 CONECT 1045 1040 CONECT 1046 1003 CONECT 1047 1002 CONECT 1048 1001 CONECT 1049 993 CONECT 1050 992 MASTER 0 0 0 0 0 0 0 0 1049 1 63 8 END
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Related entries of code: 5law
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
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PDBbind
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2lzg
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PDBbind
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3jzk
RCSB PDB
PDBbind
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3lbk
RCSB PDB
PDBbind
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3lbl
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
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3w69
RCSB PDB
PDBbind
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4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
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RCSB PDB
PDBbind
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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%
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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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%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
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%
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
5law
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
6SJ
EC.Number
E.C.6.3.2
Resolution
1.64(Å)
Affinity (Kd/Ki/IC50)
IC50=80nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59: pp. 10147-10162
Ligand Properties
Formula
C
2
5
H
2
7
Cl
2
N
3
O
3
Molecular Weight
488.406
Exact Mass
487.143
No. of atoms
60
No. of bonds
65
Polar Surface Area
75.28
LOGP Value
2.79 (
Computed with XLOGP3
)
4.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 6
Canonical SMILES
Clc1cccc(c1)[C@H]1[C@@H]2[N@@H+](CC[C@@H]2[N@H+]([C@]21C(=O)Nc1c2ccc(c1)Cl)CC1CC1)CC(=O)O
InChI String
InChI=1S/C25H25Cl2N3O3/c26-16-3-1-2-15(10-16)22-23-20(8-9-29(23)13-21(31)32)30(12-14-4-5-14)25(22)18-7-6-17(27)11-19(18)28-24(25)33/h1-3,6-7,10-11,14,20,22-23H,4-5,8-9,12-13H2,(H,28,33)(H,31,32)/p+2/t20-,22-,23+,25+/m0/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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