Browse entries in the PDBbind-CN Database
HEADER 6D07_COMPLEX COMPND 6D07_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 GLY GLU TYR VAL VAL GLU LYS VAL LEU ASP ARG ARG VAL SEQRES 2 A 54 VAL LYS GLY LYS VAL GLU TYR LEU LEU LYS TRP LYS GLY SEQRES 3 A 54 PHE SER ASP GLU ASP ASN THR TRP GLU PRO GLU GLU ASN SEQRES 4 A 54 LEU ASP CYS PRO ASP LEU ILE ALA GLU PHE LEU GLN SER SEQRES 5 A 54 GLN LYS HET LYS A 109 153 ATOM 1 N GLY A 1 8.863 13.567 6.631 1.00 21.33 N ATOM 2 CA GLY A 1 9.899 14.584 6.590 1.00 17.47 C ATOM 3 C GLY A 1 10.901 14.491 7.723 1.00 20.54 C ATOM 4 O GLY A 1 10.727 13.712 8.658 1.00 18.04 O ATOM 5 HN3 GLY A 1 8.330 13.652 7.520 1.00 0.00 H ATOM 6 HN2 GLY A 1 9.301 12.625 6.577 1.00 0.00 H ATOM 7 HN1 GLY A 1 8.219 13.698 5.825 1.00 0.00 H ATOM 8 N GLU A 2 11.960 15.291 7.624 1.00 21.53 N ATOM 9 CA GLU A 2 12.979 15.413 8.658 1.00 20.87 C ATOM 10 C GLU A 2 12.794 16.746 9.370 1.00 21.12 C ATOM 11 O GLU A 2 12.654 17.785 8.716 1.00 19.21 O ATOM 12 CB GLU A 2 14.381 15.313 8.052 1.00 19.18 C ATOM 13 CG GLU A 2 15.518 15.675 8.994 1.00 26.90 C ATOM 14 CD GLU A 2 16.883 15.467 8.361 1.00 31.45 C ATOM 15 OE1 GLU A 2 17.291 14.298 8.185 1.00 28.52 O ATOM 16 OE2 GLU A 2 17.544 16.473 8.025 1.00 33.83 O ATOM 17 H GLU A 2 12.066 15.861 6.760 1.00 0.00 H ATOM 18 N TYR A 3 12.783 16.712 10.702 1.00 17.77 N ATOM 19 CA TYR A 3 12.527 17.894 11.512 1.00 18.28 C ATOM 20 C TYR A 3 13.569 18.008 12.617 1.00 23.21 C ATOM 21 O TYR A 3 14.185 17.020 13.025 1.00 17.74 O ATOM 22 CB TYR A 3 11.120 17.863 12.134 1.00 19.96 C ATOM 23 CG TYR A 3 9.988 17.764 11.135 1.00 20.28 C ATOM 24 CD1 TYR A 3 9.533 16.528 10.694 1.00 21.30 C ATOM 25 CD2 TYR A 3 9.365 18.905 10.643 1.00 24.54 C ATOM 26 CE1 TYR A 3 8.496 16.430 9.787 1.00 17.08 C ATOM 27 CE2 TYR A 3 8.322 18.816 9.732 1.00 19.96 C ATOM 28 CZ TYR A 3 7.894 17.575 9.309 1.00 23.60 C ATOM 29 OH TYR A 3 6.861 17.474 8.405 1.00 32.17 O ATOM 30 HH TYR A 3 6.685 16.519 8.213 1.00 0.00 H ATOM 31 H TYR A 3 12.964 15.807 11.181 1.00 0.00 H ATOM 32 N VAL A 4 13.751 19.234 13.104 1.00 20.93 N ATOM 33 CA VAL A 4 14.668 19.503 14.207 1.00 21.25 C ATOM 34 C VAL A 4 14.010 19.095 15.517 1.00 16.06 C ATOM 35 O VAL A 4 12.829 19.375 15.752 1.00 16.13 O ATOM 36 CB VAL A 4 15.071 20.989 14.222 1.00 21.56 C ATOM 37 CG1 VAL A 4 15.948 21.295 15.427 1.00 22.49 C ATOM 38 CG2 VAL A 4 15.786 21.363 12.932 1.00 21.66 C ATOM 39 H VAL A 4 13.222 20.025 12.685 1.00 0.00 H ATOM 40 N VAL A 5 14.774 18.426 16.376 1.00 17.08 N ATOM 41 CA VAL A 5 14.286 17.942 17.664 1.00 18.24 C ATOM 42 C VAL A 5 14.781 18.869 18.765 1.00 17.00 C ATOM 43 O VAL A 5 15.952 19.264 18.776 1.00 12.92 O ATOM 44 CB VAL A 5 14.745 16.493 17.915 1.00 15.34 C ATOM 45 CG1 VAL A 5 14.290 16.016 19.285 1.00 13.72 C ATOM 46 CG2 VAL A 5 14.224 15.574 16.818 1.00 13.82 C ATOM 47 H VAL A 5 15.764 18.239 16.118 1.00 0.00 H ATOM 48 N GLU A 6 13.885 19.222 19.692 1.00 16.41 N ATOM 49 CA GLU A 6 14.269 20.013 20.857 1.00 15.60 C ATOM 50 C GLU A 6 14.904 19.143 21.931 1.00 18.37 C ATOM 51 O GLU A 6 15.968 19.474 22.466 1.00 14.66 O ATOM 52 CB GLU A 6 13.050 20.724 21.450 1.00 16.16 C ATOM 53 CG GLU A 6 12.238 21.525 20.476 1.00 25.59 C ATOM 54 CD GLU A 6 12.729 22.948 20.335 1.00 22.89 C ATOM 55 OE1 GLU A 6 12.073 23.858 20.879 1.00 17.05 O ATOM 56 OE2 GLU A 6 13.774 23.153 19.686 1.00 27.82 O ATOM 57 H GLU A 6 12.894 18.927 19.581 1.00 0.00 H ATOM 58 N LYS A 7 14.250 18.036 22.270 1.00 16.90 N ATOM 59 CA LYS A 7 14.645 17.244 23.422 1.00 15.39 C ATOM 60 C LYS A 7 14.097 15.835 23.263 1.00 14.06 C ATOM 61 O LYS A 7 13.033 15.632 22.672 1.00 18.57 O ATOM 62 CB LYS A 7 14.131 17.883 24.719 1.00 14.19 C ATOM 63 CG LYS A 7 14.720 17.307 25.997 1.00 17.57 C ATOM 64 CD LYS A 7 14.107 17.967 27.222 1.00 14.70 C ATOM 65 CE LYS A 7 14.649 17.366 28.510 1.00 19.41 C ATOM 66 NZ LYS A 7 14.091 18.046 29.711 1.00 28.44 N ATOM 67 HZ1 LYS A 7 14.345 19.054 29.687 1.00 0.00 H ATOM 68 HZ2 LYS A 7 13.056 17.948 29.713 1.00 0.00 H ATOM 69 HZ3 LYS A 7 14.484 17.609 30.569 1.00 0.00 H ATOM 70 H LYS A 7 13.437 17.730 21.698 1.00 0.00 H ATOM 71 N VAL A 8 14.843 14.867 23.782 1.00 18.03 N ATOM 72 CA VAL A 8 14.365 13.496 23.914 1.00 16.21 C ATOM 73 C VAL A 8 13.717 13.370 25.286 1.00 18.93 C ATOM 74 O VAL A 8 14.390 13.511 26.314 1.00 18.36 O ATOM 75 CB VAL A 8 15.508 12.484 23.745 1.00 18.18 C ATOM 76 CG1 VAL A 8 15.012 11.074 24.023 1.00 18.67 C ATOM 77 CG2 VAL A 8 16.110 12.582 22.349 1.00 17.81 C ATOM 78 H VAL A 8 15.804 15.095 24.107 1.00 0.00 H ATOM 79 N LEU A 9 12.409 13.114 25.308 1.00 16.88 N ATOM 80 CA LEU A 9 11.655 13.151 26.554 1.00 17.73 C ATOM 81 C LEU A 9 11.596 11.806 27.263 1.00 18.01 C ATOM 82 O LEU A 9 11.552 11.772 28.498 1.00 18.65 O ATOM 83 CB LEU A 9 10.231 13.643 26.292 1.00 15.53 C ATOM 84 CG LEU A 9 10.094 15.011 25.630 1.00 19.46 C ATOM 85 CD1 LEU A 9 8.637 15.281 25.304 1.00 18.18 C ATOM 86 CD2 LEU A 9 10.661 16.107 26.520 1.00 18.34 C ATOM 87 H LEU A 9 11.918 12.884 24.420 1.00 0.00 H ATOM 88 N ASP A 10 11.582 10.700 26.525 1.00 18.71 N ATOM 89 CA ASP A 10 11.470 9.391 27.152 1.00 17.39 C ATOM 90 C ASP A 10 11.954 8.330 26.175 1.00 19.18 C ATOM 91 O ASP A 10 12.229 8.608 25.004 1.00 13.03 O ATOM 92 CB ASP A 10 10.031 9.110 27.603 1.00 22.05 C ATOM 93 CG ASP A 10 9.956 8.047 28.689 1.00 24.63 C ATOM 94 OD1 ASP A 10 11.020 7.539 29.105 1.00 23.01 O ATOM 95 OD2 ASP A 10 8.834 7.721 29.128 1.00 29.76 O ATOM 96 H ASP A 10 11.652 10.771 25.490 1.00 0.00 H ATOM 97 N ARG A 11 12.049 7.102 26.680 1.00 18.65 N ATOM 98 CA ARG A 11 12.478 5.949 25.903 1.00 16.98 C ATOM 99 C ARG A 11 11.657 4.747 26.335 1.00 17.42 C ATOM 100 O ARG A 11 11.312 4.617 27.512 1.00 21.66 O ATOM 101 CB ARG A 11 13.974 5.665 26.104 1.00 17.10 C ATOM 102 CG ARG A 11 14.535 4.554 25.236 1.00 19.35 C ATOM 103 CD ARG A 11 15.881 4.075 25.762 1.00 17.26 C ATOM 104 NE ARG A 11 15.736 3.373 27.034 1.00 20.97 N ATOM 105 CZ ARG A 11 16.744 2.831 27.710 1.00 25.59 C ATOM 106 NH1 ARG A 11 17.981 2.910 27.239 1.00 16.26 N ATOM 107 NH2 ARG A 11 16.513 2.210 28.859 1.00 23.58 N ATOM 108 HE ARG A 11 14.781 3.292 27.438 1.00 0.00 H ATOM 109 HH12 ARG A 11 18.768 2.485 27.770 1.00 0.00 H ATOM 110 HH11 ARG A 11 18.164 3.397 26.339 1.00 0.00 H ATOM 111 HH22 ARG A 11 17.301 1.786 29.388 1.00 0.00 H ATOM 112 HH21 ARG A 11 15.544 2.147 29.231 1.00 0.00 H ATOM 113 H ARG A 11 11.804 6.959 27.681 1.00 0.00 H ATOM 114 N ARG A 12 11.333 3.875 25.383 1.00 15.06 N ATOM 115 CA ARG A 12 10.642 2.637 25.703 1.00 14.54 C ATOM 116 C ARG A 12 11.192 1.513 24.837 1.00 17.30 C ATOM 117 O ARG A 12 11.756 1.739 23.762 1.00 12.50 O ATOM 118 CB ARG A 12 9.124 2.762 25.517 1.00 17.08 C ATOM 119 CG ARG A 12 8.662 2.824 24.073 1.00 18.45 C ATOM 120 CD ARG A 12 7.158 3.065 24.003 1.00 13.47 C ATOM 121 NE ARG A 12 6.700 3.302 22.638 1.00 13.06 N ATOM 122 CZ ARG A 12 5.494 3.766 22.328 1.00 17.05 C ATOM 123 NH1 ARG A 12 4.625 4.048 23.290 1.00 9.29 N ATOM 124 NH2 ARG A 12 5.157 3.951 21.057 1.00 16.04 N ATOM 125 HE ARG A 12 7.358 3.095 21.860 1.00 0.00 H ATOM 126 HH12 ARG A 12 3.681 4.411 23.048 1.00 0.00 H ATOM 127 HH11 ARG A 12 4.888 3.906 24.286 1.00 0.00 H ATOM 128 HH22 ARG A 12 4.213 4.314 20.817 1.00 0.00 H ATOM 129 HH21 ARG A 12 5.838 3.733 20.302 1.00 0.00 H ATOM 130 H ARG A 12 11.578 4.083 24.394 1.00 0.00 H ATOM 131 N VAL A 13 11.019 0.291 25.325 1.00 15.41 N ATOM 132 CA VAL A 13 11.506 -0.908 24.657 1.00 17.23 C ATOM 133 C VAL A 13 10.298 -1.780 24.353 1.00 17.25 C ATOM 134 O VAL A 13 9.639 -2.282 25.272 1.00 19.15 O ATOM 135 CB VAL A 13 12.533 -1.660 25.510 1.00 18.17 C ATOM 136 CG1 VAL A 13 12.791 -3.025 24.919 1.00 25.38 C ATOM 137 CG2 VAL A 13 13.822 -0.857 25.615 1.00 14.59 C ATOM 138 H VAL A 13 10.512 0.185 26.227 1.00 0.00 H ATOM 139 N VAL A 14 9.998 -1.953 23.067 1.00 16.45 N ATOM 140 CA VAL A 14 8.832 -2.702 22.617 1.00 18.60 C ATOM 141 C VAL A 14 9.263 -3.652 21.510 1.00 16.17 C ATOM 142 O VAL A 14 9.906 -3.231 20.542 1.00 15.41 O ATOM 143 CB VAL A 14 7.708 -1.775 22.118 1.00 20.75 C ATOM 144 CG1 VAL A 14 6.531 -2.597 21.625 1.00 19.89 C ATOM 145 CG2 VAL A 14 7.269 -0.811 23.219 1.00 16.32 C ATOM 146 H VAL A 14 10.625 -1.534 22.351 1.00 0.00 H ATOM 147 N LYS A 15 8.906 -4.927 21.654 1.00 15.12 N ATOM 148 CA LYS A 15 9.192 -5.954 20.651 1.00 18.97 C ATOM 149 C LYS A 15 10.669 -5.962 20.267 1.00 19.00 C ATOM 150 O LYS A 15 11.029 -6.047 19.091 1.00 18.71 O ATOM 151 CB LYS A 15 8.301 -5.780 19.419 1.00 20.10 C ATOM 152 CG LYS A 15 6.815 -5.826 19.743 1.00 25.83 C ATOM 153 CD LYS A 15 5.966 -6.050 18.506 1.00 25.16 C ATOM 154 CE LYS A 15 4.484 -5.940 18.837 1.00 33.10 C ATOM 155 NZ LYS A 15 4.102 -6.798 19.994 1.00 31.04 N ATOM 156 HZ1 LYS A 15 4.311 -7.792 19.771 1.00 0.00 H ATOM 157 HZ2 LYS A 15 4.644 -6.508 20.833 1.00 0.00 H ATOM 158 HZ3 LYS A 15 3.085 -6.691 20.183 1.00 0.00 H ATOM 159 H LYS A 15 8.401 -5.206 22.519 1.00 0.00 H ATOM 160 N GLY A 16 11.531 -5.869 21.278 1.00 15.95 N ATOM 161 CA GLY A 16 12.964 -5.928 21.066 1.00 21.06 C ATOM 162 C GLY A 16 13.571 -4.728 20.379 1.00 21.56 C ATOM 163 O GLY A 16 14.721 -4.808 19.936 1.00 18.86 O ATOM 164 H GLY A 16 11.167 -5.751 22.245 1.00 0.00 H ATOM 165 N LYS A 17 12.843 -3.616 20.277 1.00 17.50 N ATOM 166 CA LYS A 17 13.336 -2.422 19.607 1.00 19.93 C ATOM 167 C LYS A 17 13.160 -1.206 20.507 1.00 21.08 C ATOM 168 O LYS A 17 12.277 -1.169 21.369 1.00 17.30 O ATOM 169 CB LYS A 17 12.622 -2.198 18.267 1.00 18.76 C ATOM 170 CG LYS A 17 12.851 -3.319 17.265 1.00 23.96 C ATOM 171 CD LYS A 17 12.166 -3.037 15.941 1.00 30.71 C ATOM 172 CE LYS A 17 12.700 -1.766 15.303 1.00 36.45 C ATOM 173 NZ LYS A 17 14.163 -1.846 15.039 1.00 46.45 N ATOM 174 HZ1 LYS A 17 14.668 -1.997 15.936 1.00 0.00 H ATOM 175 HZ2 LYS A 17 14.355 -2.639 14.394 1.00 0.00 H ATOM 176 HZ3 LYS A 17 14.485 -0.958 14.604 1.00 0.00 H ATOM 177 H LYS A 17 11.889 -3.601 20.691 1.00 0.00 H ATOM 178 N VAL A 18 14.008 -0.204 20.283 1.00 14.37 N ATOM 179 CA VAL A 18 14.084 0.986 21.124 1.00 18.26 C ATOM 180 C VAL A 18 13.396 2.146 20.414 1.00 18.69 C ATOM 181 O VAL A 18 13.682 2.429 19.244 1.00 18.23 O ATOM 182 CB VAL A 18 15.546 1.336 21.453 1.00 15.14 C ATOM 183 CG1 VAL A 18 15.612 2.535 22.380 1.00 14.79 C ATOM 184 CG2 VAL A 18 16.260 0.137 22.070 1.00 16.66 C ATOM 185 H VAL A 18 14.649 -0.273 19.467 1.00 0.00 H ATOM 186 N GLU A 19 12.497 2.824 21.125 1.00 16.14 N ATOM 187 CA GLU A 19 11.830 4.014 20.619 1.00 12.05 C ATOM 188 C GLU A 19 12.024 5.158 21.603 1.00 15.05 C ATOM 189 O GLU A 19 12.119 4.946 22.815 1.00 13.73 O ATOM 190 CB GLU A 19 10.328 3.776 20.394 1.00 15.24 C ATOM 191 CG GLU A 19 10.009 2.743 19.329 1.00 16.28 C ATOM 192 CD GLU A 19 8.517 2.539 19.145 1.00 18.69 C ATOM 193 OE1 GLU A 19 7.737 3.055 19.973 1.00 20.63 O ATOM 194 OE2 GLU A 19 8.123 1.864 18.169 1.00 28.50 O ATOM 195 H GLU A 19 12.262 2.489 22.081 1.00 0.00 H ATOM 196 N TYR A 20 12.076 6.376 21.071 1.00 11.01 N ATOM 197 CA TYR A 20 12.238 7.577 21.875 1.00 14.60 C ATOM 198 C TYR A 20 11.057 8.513 21.658 1.00 15.57 C ATOM 199 O TYR A 20 10.532 8.623 20.545 1.00 14.24 O ATOM 200 CB TYR A 20 13.541 8.305 21.534 1.00 11.73 C ATOM 201 CG TYR A 20 14.802 7.555 21.917 1.00 16.17 C ATOM 202 CD1 TYR A 20 15.318 7.633 23.206 1.00 14.16 C ATOM 203 CD2 TYR A 20 15.485 6.786 20.986 1.00 17.64 C ATOM 204 CE1 TYR A 20 16.473 6.960 23.556 1.00 15.43 C ATOM 205 CE2 TYR A 20 16.642 6.105 21.328 1.00 16.81 C ATOM 206 CZ TYR A 20 17.130 6.196 22.615 1.00 15.94 C ATOM 207 OH TYR A 20 18.279 5.525 22.963 1.00 18.02 O ATOM 208 HH TYR A 20 18.485 5.698 23.916 1.00 0.00 H ATOM 209 H TYR A 20 11.998 6.473 20.039 1.00 0.00 H ATOM 210 N LEU A 21 10.646 9.187 22.727 1.00 14.45 N ATOM 211 CA LEU A 21 9.607 10.206 22.658 1.00 14.55 C ATOM 212 C LEU A 21 10.271 11.558 22.419 1.00 14.30 C ATOM 213 O LEU A 21 11.108 11.990 23.218 1.00 19.05 O ATOM 214 CB LEU A 21 8.785 10.216 23.944 1.00 14.24 C ATOM 215 CG LEU A 21 7.631 11.212 24.047 1.00 16.95 C ATOM 216 CD1 LEU A 21 6.619 10.974 22.941 1.00 15.65 C ATOM 217 CD2 LEU A 21 6.980 11.099 25.414 1.00 14.40 C ATOM 218 H LEU A 21 11.083 8.979 23.648 1.00 0.00 H ATOM 219 N LEU A 22 9.904 12.220 21.324 1.00 15.07 N ATOM 220 CA LEU A 22 10.612 13.401 20.849 1.00 15.08 C ATOM 221 C LEU A 22 9.738 14.646 20.932 1.00 15.30 C ATOM 222 O LEU A 22 8.553 14.612 20.588 1.00 16.83 O ATOM 223 CB LEU A 22 11.080 13.213 19.402 1.00 15.70 C ATOM 224 CG LEU A 22 11.963 12.005 19.076 1.00 17.52 C ATOM 225 CD1 LEU A 22 12.483 12.096 17.649 1.00 14.29 C ATOM 226 CD2 LEU A 22 13.113 11.888 20.064 1.00 12.94 C ATOM 227 H LEU A 22 9.080 11.881 20.787 1.00 0.00 H ATOM 228 N LYS A 23 10.339 15.746 21.378 1.00 17.70 N ATOM 229 CA LYS A 23 9.740 17.071 21.292 1.00 18.43 C ATOM 230 C LYS A 23 10.306 17.767 20.059 1.00 16.23 C ATOM 231 O LYS A 23 11.525 17.931 19.943 1.00 15.69 O ATOM 232 CB LYS A 23 10.024 17.883 22.556 1.00 17.14 C ATOM 233 CG LYS A 23 9.655 19.357 22.459 1.00 20.77 C ATOM 234 CD LYS A 23 8.159 19.554 22.298 1.00 19.00 C ATOM 235 CE LYS A 23 7.770 21.022 22.441 1.00 22.17 C ATOM 236 NZ LYS A 23 8.232 21.863 21.302 1.00 18.52 N ATOM 237 HZ1 LYS A 23 9.269 21.816 21.236 1.00 0.00 H ATOM 238 HZ2 LYS A 23 7.811 21.510 20.419 1.00 0.00 H ATOM 239 HZ3 LYS A 23 7.937 22.848 21.458 1.00 0.00 H ATOM 240 H LYS A 23 11.281 15.656 21.809 1.00 0.00 H ATOM 241 N TRP A 24 9.427 18.164 19.143 1.00 14.26 N ATOM 242 CA TRP A 24 9.843 18.723 17.863 1.00 16.41 C ATOM 243 C TRP A 24 9.931 20.242 17.940 1.00 16.08 C ATOM 244 O TRP A 24 9.095 20.893 18.572 1.00 14.35 O ATOM 245 CB TRP A 24 8.869 18.314 16.758 1.00 14.74 C ATOM 246 CG TRP A 24 8.696 16.830 16.611 1.00 16.57 C ATOM 247 CD1 TRP A 24 7.682 16.066 17.119 1.00 16.24 C ATOM 248 CD2 TRP A 24 9.558 15.930 15.903 1.00 14.58 C ATOM 249 NE1 TRP A 24 7.861 14.749 16.772 1.00 11.65 N ATOM 250 CE2 TRP A 24 9.006 14.640 16.025 1.00 16.11 C ATOM 251 CE3 TRP A 24 10.742 16.092 15.177 1.00 11.48 C ATOM 252 CZ2 TRP A 24 9.596 13.519 15.448 1.00 15.24 C ATOM 253 CZ3 TRP A 24 11.325 14.980 14.605 1.00 14.89 C ATOM 254 CH2 TRP A 24 10.751 13.708 14.743 1.00 15.54 C ATOM 255 HE1 TRP A 24 7.231 13.963 17.033 1.00 0.00 H ATOM 256 H TRP A 24 8.411 18.073 19.347 1.00 0.00 H ATOM 257 N LYS A 25 10.949 20.800 17.282 1.00 16.20 N ATOM 258 CA LYS A 25 11.175 22.241 17.322 1.00 14.24 C ATOM 259 C LYS A 25 10.100 22.988 16.544 1.00 16.45 C ATOM 260 O LYS A 25 9.852 22.699 15.370 1.00 14.03 O ATOM 261 CB LYS A 25 12.555 22.583 16.761 1.00 17.72 C ATOM 262 CG LYS A 25 12.830 24.079 16.717 1.00 20.17 C ATOM 263 CD LYS A 25 14.254 24.383 16.281 1.00 20.07 C ATOM 264 CE LYS A 25 14.543 25.876 16.356 1.00 27.38 C ATOM 265 NZ LYS A 25 15.961 26.191 16.017 1.00 29.92 N ATOM 266 HZ1 LYS A 25 16.592 25.704 16.685 1.00 0.00 H ATOM 267 HZ2 LYS A 25 16.164 25.869 15.049 1.00 0.00 H ATOM 268 HZ3 LYS A 25 16.112 27.218 16.081 1.00 0.00 H ATOM 269 H LYS A 25 11.593 20.197 16.731 1.00 0.00 H ATOM 270 N GLY A 26 9.479 23.969 17.196 1.00 19.31 N ATOM 271 CA GLY A 26 8.441 24.758 16.568 1.00 15.03 C ATOM 272 C GLY A 26 7.072 24.123 16.571 1.00 17.27 C ATOM 273 O GLY A 26 6.156 24.653 15.931 1.00 26.01 O ATOM 274 H GLY A 26 9.746 24.173 18.180 1.00 0.00 H ATOM 275 N PHE A 27 6.899 23.012 17.276 1.00 15.89 N ATOM 276 CA PHE A 27 5.636 22.301 17.334 1.00 15.66 C ATOM 277 C PHE A 27 5.158 22.208 18.775 1.00 17.13 C ATOM 278 O PHE A 27 5.943 22.291 19.723 1.00 20.28 O ATOM 279 CB PHE A 27 5.764 20.900 16.725 1.00 15.98 C ATOM 280 CG PHE A 27 6.021 20.907 15.246 1.00 22.37 C ATOM 281 CD1 PHE A 27 7.313 20.998 14.754 1.00 16.14 C ATOM 282 CD2 PHE A 27 4.968 20.830 14.346 1.00 22.74 C ATOM 283 CE1 PHE A 27 7.553 21.012 13.392 1.00 21.91 C ATOM 284 CE2 PHE A 27 5.201 20.840 12.980 1.00 21.32 C ATOM 285 CZ PHE A 27 6.494 20.930 12.502 1.00 20.96 C ATOM 286 H PHE A 27 7.706 22.634 17.812 1.00 0.00 H ATOM 287 N SER A 28 3.848 22.040 18.923 1.00 18.12 N ATOM 288 CA SER A 28 3.242 21.885 20.234 1.00 15.62 C ATOM 289 C SER A 28 3.746 20.615 20.913 1.00 14.41 C ATOM 290 O SER A 28 4.176 19.657 20.264 1.00 14.55 O ATOM 291 CB SER A 28 1.718 21.838 20.106 1.00 13.24 C ATOM 292 OG SER A 28 1.117 21.436 21.321 1.00 16.51 O ATOM 293 HG SER A 28 0.133 21.414 21.210 1.00 0.00 H ATOM 294 H SER A 28 3.241 22.019 18.079 1.00 0.00 H ATOM 295 N ASP A 29 3.690 20.613 22.247 1.00 13.10 N ATOM 296 CA ASP A 29 3.940 19.378 22.980 1.00 18.46 C ATOM 297 C ASP A 29 2.889 18.317 22.674 1.00 19.69 C ATOM 298 O ASP A 29 3.144 17.126 22.884 1.00 13.59 O ATOM 299 CB ASP A 29 3.985 19.647 24.483 1.00 18.80 C ATOM 300 CG ASP A 29 5.054 20.652 24.863 1.00 22.91 C ATOM 301 OD1 ASP A 29 4.780 21.867 24.779 1.00 26.53 O ATOM 302 OD2 ASP A 29 6.166 20.228 25.245 1.00 21.86 O ATOM 303 H ASP A 29 3.469 21.489 22.761 1.00 0.00 H ATOM 304 N GLU A 30 1.712 18.725 22.187 1.00 14.06 N ATOM 305 CA GLU A 30 0.710 17.765 21.744 1.00 13.26 C ATOM 306 C GLU A 30 1.156 17.003 20.504 1.00 14.29 C ATOM 307 O GLU A 30 0.559 15.973 20.178 1.00 18.93 O ATOM 308 CB GLU A 30 -0.617 18.477 21.463 1.00 18.49 C ATOM 309 CG GLU A 30 -1.255 19.116 22.686 1.00 20.48 C ATOM 310 CD GLU A 30 -2.535 19.867 22.356 1.00 29.08 C ATOM 311 OE1 GLU A 30 -2.520 20.689 21.416 1.00 31.70 O ATOM 312 OE2 GLU A 30 -3.556 19.630 23.036 1.00 32.34 O ATOM 313 H GLU A 30 1.509 19.743 22.124 1.00 0.00 H ATOM 314 N ASP A 31 2.185 17.484 19.808 1.00 17.80 N ATOM 315 CA ASP A 31 2.688 16.836 18.608 1.00 19.45 C ATOM 316 C ASP A 31 3.903 15.954 18.873 1.00 17.91 C ATOM 317 O ASP A 31 4.544 15.506 17.917 1.00 18.91 O ATOM 318 CB ASP A 31 3.024 17.881 17.543 1.00 18.80 C ATOM 319 CG ASP A 31 1.794 18.586 17.014 1.00 18.70 C ATOM 320 OD1 ASP A 31 0.691 18.016 17.122 1.00 22.37 O ATOM 321 OD2 ASP A 31 1.930 19.708 16.489 1.00 25.06 O ATOM 322 H ASP A 31 2.646 18.357 20.136 1.00 0.00 H ATOM 323 N ASN A 32 4.239 15.702 20.138 1.00 15.95 N ATOM 324 CA ASN A 32 5.292 14.742 20.450 1.00 15.90 C ATOM 325 C ASN A 32 4.941 13.371 19.879 1.00 20.06 C ATOM 326 O ASN A 32 3.776 12.966 19.865 1.00 20.94 O ATOM 327 CB ASN A 32 5.495 14.636 21.965 1.00 15.80 C ATOM 328 CG ASN A 32 5.945 15.946 22.599 1.00 17.78 C ATOM 329 OD1 ASN A 32 6.460 16.839 21.926 1.00 16.06 O ATOM 330 ND2 ASN A 32 5.756 16.058 23.906 1.00 16.75 N ATOM 331 HD22 ASN A 32 5.317 15.279 24.437 1.00 0.00 H ATOM 332 HD21 ASN A 32 6.047 16.925 24.401 1.00 0.00 H ATOM 333 H ASN A 32 3.746 16.194 20.910 1.00 0.00 H ATOM 334 N THR A 33 5.955 12.651 19.401 1.00 19.67 N ATOM 335 CA THR A 33 5.735 11.340 18.807 1.00 15.88 C ATOM 336 C THR A 33 6.801 10.365 19.280 1.00 19.11 C ATOM 337 O THR A 33 7.943 10.746 19.547 1.00 19.97 O ATOM 338 CB THR A 33 5.752 11.384 17.271 1.00 21.07 C ATOM 339 OG1 THR A 33 6.983 11.965 16.819 1.00 18.22 O ATOM 340 CG2 THR A 33 4.565 12.181 16.726 1.00 18.69 C ATOM 341 HG1 THR A 33 6.990 11.992 15.829 1.00 0.00 H ATOM 342 H THR A 33 6.921 13.032 19.453 1.00 0.00 H ATOM 343 N TRP A 34 6.409 9.098 19.381 1.00 18.13 N ATOM 344 CA TRP A 34 7.362 8.017 19.585 1.00 17.15 C ATOM 345 C TRP A 34 7.962 7.618 18.243 1.00 17.31 C ATOM 346 O TRP A 34 7.234 7.351 17.281 1.00 20.84 O ATOM 347 CB TRP A 34 6.683 6.816 20.240 1.00 15.17 C ATOM 348 CG TRP A 34 6.343 7.020 21.686 1.00 13.70 C ATOM 349 CD1 TRP A 34 5.134 7.379 22.202 1.00 13.46 C ATOM 350 CD2 TRP A 34 7.228 6.868 22.803 1.00 18.10 C ATOM 351 NE1 TRP A 34 5.210 7.464 23.572 1.00 15.31 N ATOM 352 CE2 TRP A 34 6.485 7.152 23.966 1.00 12.54 C ATOM 353 CE3 TRP A 34 8.578 6.517 22.932 1.00 15.27 C ATOM 354 CZ2 TRP A 34 7.042 7.098 25.240 1.00 12.08 C ATOM 355 CZ3 TRP A 34 9.131 6.463 24.200 1.00 17.04 C ATOM 356 CH2 TRP A 34 8.364 6.753 25.337 1.00 19.34 C ATOM 357 HE1 TRP A 34 4.427 7.723 24.206 1.00 0.00 H ATOM 358 H TRP A 34 5.396 8.874 19.312 1.00 0.00 H ATOM 359 N GLU A 35 9.288 7.586 18.173 1.00 15.25 N ATOM 360 CA GLU A 35 9.957 7.299 16.918 1.00 19.03 C ATOM 361 C GLU A 35 10.968 6.178 17.108 1.00 18.94 C ATOM 362 O GLU A 35 11.692 6.155 18.112 1.00 18.46 O ATOM 363 CB GLU A 35 10.669 8.545 16.372 1.00 16.80 C ATOM 364 CG GLU A 35 9.764 9.746 16.157 1.00 16.86 C ATOM 365 CD GLU A 35 8.800 9.558 15.002 1.00 19.39 C ATOM 366 OE1 GLU A 35 9.033 8.665 14.162 1.00 18.70 O ATOM 367 OE2 GLU A 35 7.808 10.309 14.933 1.00 23.16 O ATOM 368 H GLU A 35 9.853 7.769 19.027 1.00 0.00 H ATOM 369 N PRO A 36 11.036 5.235 16.171 1.00 20.30 N ATOM 370 CA PRO A 36 12.091 4.218 16.230 1.00 19.52 C ATOM 371 C PRO A 36 13.458 4.882 16.190 1.00 16.50 C ATOM 372 O PRO A 36 13.652 5.892 15.511 1.00 16.27 O ATOM 373 CB PRO A 36 11.837 3.363 14.982 1.00 17.27 C ATOM 374 CG PRO A 36 10.413 3.642 14.603 1.00 24.11 C ATOM 375 CD PRO A 36 10.160 5.064 15.000 1.00 20.28 C ATOM 376 N GLU A 37 14.410 4.305 16.933 1.00 16.48 N ATOM 377 CA GLU A 37 15.709 4.953 17.106 1.00 17.30 C ATOM 378 C GLU A 37 16.424 5.162 15.776 1.00 19.82 C ATOM 379 O GLU A 37 17.211 6.105 15.641 1.00 16.87 O ATOM 380 CB GLU A 37 16.589 4.142 18.065 1.00 13.73 C ATOM 381 CG GLU A 37 17.061 2.807 17.522 1.00 16.01 C ATOM 382 CD GLU A 37 18.051 2.106 18.443 1.00 21.87 C ATOM 383 OE1 GLU A 37 18.542 2.732 19.410 1.00 17.36 O ATOM 384 OE2 GLU A 37 18.338 0.919 18.197 1.00 18.55 O ATOM 385 H GLU A 37 14.224 3.390 17.390 1.00 0.00 H ATOM 386 N GLU A 38 16.155 4.313 14.781 1.00 16.91 N ATOM 387 CA GLU A 38 16.810 4.471 13.487 1.00 21.68 C ATOM 388 C GLU A 38 16.389 5.753 12.777 1.00 20.94 C ATOM 389 O GLU A 38 17.109 6.220 11.887 1.00 22.45 O ATOM 390 CB GLU A 38 16.525 3.259 12.598 1.00 20.93 C ATOM 391 CG GLU A 38 15.047 2.952 12.401 1.00 29.17 C ATOM 392 CD GLU A 38 14.523 1.907 13.372 1.00 29.62 C ATOM 393 OE1 GLU A 38 14.946 1.906 14.550 1.00 23.67 O ATOM 394 OE2 GLU A 38 13.687 1.080 12.951 1.00 33.51 O ATOM 395 H GLU A 38 15.477 3.538 14.929 1.00 0.00 H ATOM 396 N ASN A 39 15.248 6.333 13.152 1.00 21.14 N ATOM 397 CA ASN A 39 14.834 7.611 12.588 1.00 17.02 C ATOM 398 C ASN A 39 15.663 8.779 13.107 1.00 18.44 C ATOM 399 O ASN A 39 15.679 9.837 12.471 1.00 18.26 O ATOM 400 CB ASN A 39 13.359 7.878 12.899 1.00 16.68 C ATOM 401 CG ASN A 39 12.418 6.890 12.226 1.00 25.60 C ATOM 402 OD1 ASN A 39 12.841 5.881 11.658 1.00 22.22 O ATOM 403 ND2 ASN A 39 11.123 7.180 12.299 1.00 23.88 N ATOM 404 HD22 ASN A 39 10.810 8.043 12.788 1.00 0.00 H ATOM 405 HD21 ASN A 39 10.423 6.544 11.867 1.00 0.00 H ATOM 406 H ASN A 39 14.644 5.866 13.858 1.00 0.00 H ATOM 407 N LEU A 40 16.350 8.615 14.235 1.00 17.89 N ATOM 408 CA LEU A 40 16.949 9.748 14.932 1.00 22.26 C ATOM 409 C LEU A 40 18.341 10.065 14.401 1.00 21.09 C ATOM 410 O LEU A 40 19.142 9.167 14.125 1.00 20.23 O ATOM 411 CB LEU A 40 17.022 9.475 16.438 1.00 19.28 C ATOM 412 CG LEU A 40 15.768 9.709 17.292 1.00 17.09 C ATOM 413 CD1 LEU A 40 14.600 8.831 16.855 1.00 13.87 C ATOM 414 CD2 LEU A 40 16.069 9.491 18.769 1.00 18.14 C ATOM 415 H LEU A 40 16.462 7.659 14.628 1.00 0.00 H ATOM 416 N ASP A 41 18.621 11.359 14.259 1.00 20.98 N ATOM 417 CA ASP A 41 19.946 11.888 13.965 1.00 16.63 C ATOM 418 C ASP A 41 20.301 12.969 14.974 1.00 19.15 C ATOM 419 O ASP A 41 20.819 14.034 14.624 1.00 16.33 O ATOM 420 CB ASP A 41 20.027 12.430 12.540 1.00 21.30 C ATOM 421 CG ASP A 41 19.994 11.332 11.494 1.00 25.01 C ATOM 422 OD1 ASP A 41 20.715 10.325 11.660 1.00 26.57 O ATOM 423 OD2 ASP A 41 19.243 11.474 10.506 1.00 30.73 O ATOM 424 H ASP A 41 17.841 12.038 14.365 1.00 0.00 H ATOM 425 N CYS A 42 20.007 12.707 16.245 1.00 22.74 N ATOM 426 CA CYS A 42 20.227 13.655 17.335 1.00 19.61 C ATOM 427 C CYS A 42 21.017 12.966 18.443 1.00 22.95 C ATOM 428 O CYS A 42 20.489 12.698 19.529 1.00 20.89 O ATOM 429 CB CYS A 42 18.896 14.197 17.858 1.00 19.90 C ATOM 430 SG CYS A 42 17.651 12.931 18.219 1.00 18.07 S ATOM 431 H CYS A 42 19.599 11.778 16.475 1.00 0.00 H ATOM 432 N PRO A 43 22.299 12.674 18.200 1.00 24.45 N ATOM 433 CA PRO A 43 23.069 11.930 19.212 1.00 27.56 C ATOM 434 C PRO A 43 23.264 12.702 20.503 1.00 22.85 C ATOM 435 O PRO A 43 23.211 12.107 21.585 1.00 27.27 O ATOM 436 CB PRO A 43 24.402 11.656 18.501 1.00 26.08 C ATOM 437 CG PRO A 43 24.532 12.772 17.514 1.00 26.33 C ATOM 438 CD PRO A 43 23.131 13.074 17.050 1.00 20.99 C ATOM 439 N ASP A 44 23.479 14.017 20.420 1.00 25.83 N ATOM 440 CA ASP A 44 23.663 14.816 21.627 1.00 23.96 C ATOM 441 C ASP A 44 22.407 14.842 22.487 1.00 27.64 C ATOM 442 O ASP A 44 22.499 14.941 23.716 1.00 26.09 O ATOM 443 CB ASP A 44 24.075 16.240 21.257 1.00 31.74 C ATOM 444 CG ASP A 44 25.375 16.285 20.484 1.00 30.29 C ATOM 445 OD1 ASP A 44 25.880 15.207 20.103 1.00 36.39 O ATOM 446 OD2 ASP A 44 25.894 17.399 20.261 1.00 35.06 O ATOM 447 H ASP A 44 23.516 14.476 19.487 1.00 0.00 H ATOM 448 N LEU A 45 21.228 14.760 21.868 1.00 20.79 N ATOM 449 CA LEU A 45 19.990 14.781 22.638 1.00 22.87 C ATOM 450 C LEU A 45 19.690 13.432 23.280 1.00 21.45 C ATOM 451 O LEU A 45 19.112 13.388 24.372 1.00 21.51 O ATOM 452 CB LEU A 45 18.823 15.222 21.751 1.00 20.01 C ATOM 453 CG LEU A 45 18.863 16.674 21.271 1.00 19.75 C ATOM 454 CD1 LEU A 45 17.572 17.039 20.556 1.00 20.01 C ATOM 455 CD2 LEU A 45 19.119 17.625 22.432 1.00 20.45 C ATOM 456 H LEU A 45 21.192 14.681 20.832 1.00 0.00 H ATOM 457 N ILE A 46 20.062 12.329 22.626 1.00 21.11 N ATOM 458 CA ILE A 46 19.953 11.025 23.274 1.00 22.11 C ATOM 459 C ILE A 46 20.915 10.941 24.452 1.00 23.18 C ATOM 460 O ILE A 46 20.586 10.379 25.504 1.00 28.45 O ATOM 461 CB ILE A 46 20.205 9.891 22.264 1.00 26.48 C ATOM 462 CG1 ILE A 46 19.129 9.874 21.180 1.00 18.90 C ATOM 463 CG2 ILE A 46 20.256 8.546 22.976 1.00 21.10 C ATOM 464 CD1 ILE A 46 19.271 8.716 20.218 1.00 24.99 C ATOM 465 H ILE A 46 20.429 12.399 21.655 1.00 0.00 H ATOM 466 N ALA A 47 22.117 11.499 24.296 1.00 18.44 N ATOM 467 CA ALA A 47 23.082 11.488 25.390 1.00 30.16 C ATOM 468 C ALA A 47 22.572 12.289 26.580 1.00 26.40 C ATOM 469 O ALA A 47 22.811 11.918 27.735 1.00 27.65 O ATOM 470 CB ALA A 47 24.427 12.031 24.909 1.00 27.06 C ATOM 471 H ALA A 47 22.367 11.944 23.390 1.00 0.00 H ATOM 472 N GLU A 48 21.860 13.389 26.320 1.00 28.32 N ATOM 473 CA GLU A 48 21.280 14.163 27.414 1.00 23.21 C ATOM 474 C GLU A 48 20.233 13.357 28.172 1.00 27.55 C ATOM 475 O GLU A 48 20.168 13.420 29.405 1.00 26.30 O ATOM 476 CB GLU A 48 20.665 15.458 26.884 1.00 25.76 C ATOM 477 CG GLU A 48 19.982 16.286 27.967 1.00 20.03 C ATOM 478 CD GLU A 48 19.119 17.401 27.411 1.00 22.29 C ATOM 479 OE1 GLU A 48 18.889 17.435 26.183 1.00 17.11 O ATOM 480 OE2 GLU A 48 18.667 18.248 28.212 1.00 26.65 O ATOM 481 H GLU A 48 21.718 13.695 25.336 1.00 0.00 H ATOM 482 N PHE A 49 19.404 12.592 27.454 1.00 22.62 N ATOM 483 CA PHE A 49 18.313 11.874 28.109 1.00 22.33 C ATOM 484 C PHE A 49 18.838 10.770 29.018 1.00 28.77 C ATOM 485 O PHE A 49 18.355 10.598 30.144 1.00 31.43 O ATOM 486 CB PHE A 49 17.353 11.287 27.075 1.00 23.49 C ATOM 487 CG PHE A 49 16.429 10.250 27.647 1.00 20.05 C ATOM 488 CD1 PHE A 49 15.306 10.628 28.364 1.00 21.64 C ATOM 489 CD2 PHE A 49 16.701 8.899 27.496 1.00 22.22 C ATOM 490 CE1 PHE A 49 14.462 9.681 28.908 1.00 21.99 C ATOM 491 CE2 PHE A 49 15.863 7.946 28.042 1.00 23.80 C ATOM 492 CZ PHE A 49 14.739 8.338 28.746 1.00 23.63 C ATOM 493 H PHE A 49 19.536 12.508 26.426 1.00 0.00 H ATOM 494 N LEU A 50 19.808 9.990 28.534 1.00 32.05 N ATOM 495 CA LEU A 50 20.328 8.888 29.336 1.00 34.23 C ATOM 496 C LEU A 50 21.034 9.390 30.587 1.00 35.96 C ATOM 497 O LEU A 50 20.970 8.739 31.636 1.00 37.23 O ATOM 498 CB LEU A 50 21.270 8.027 28.496 1.00 32.13 C ATOM 499 CG LEU A 50 20.623 7.307 27.311 1.00 29.75 C ATOM 500 CD1 LEU A 50 21.672 6.566 26.495 1.00 20.39 C ATOM 501 CD2 LEU A 50 19.535 6.357 27.795 1.00 24.67 C ATOM 502 H LEU A 50 20.193 10.168 27.584 1.00 0.00 H ATOM 503 N GLN A 51 21.702 10.543 30.500 1.00 35.39 N ATOM 504 CA GLN A 51 22.354 11.109 31.675 1.00 35.86 C ATOM 505 C GLN A 51 21.339 11.646 32.675 1.00 37.33 C ATOM 506 O GLN A 51 21.590 11.619 33.885 1.00 46.25 O ATOM 507 CB GLN A 51 23.331 12.204 31.249 1.00 29.81 C ATOM 508 CG GLN A 51 24.468 11.687 30.380 1.00 36.45 C ATOM 509 CD GLN A 51 25.191 12.790 29.631 1.00 34.38 C ATOM 510 OE1 GLN A 51 25.046 13.970 29.948 1.00 43.27 O ATOM 511 NE2 GLN A 51 25.972 12.409 28.626 1.00 30.62 N ATOM 512 HE22 GLN A 51 26.065 11.400 28.393 1.00 0.00 H ATOM 513 HE21 GLN A 51 26.491 13.120 28.072 1.00 0.00 H ATOM 514 H GLN A 51 21.758 11.040 29.588 1.00 0.00 H ATOM 515 N SER A 52 20.191 12.134 32.197 1.00 36.41 N ATOM 516 CA SER A 52 19.126 12.541 33.105 1.00 33.58 C ATOM 517 C SER A 52 18.481 11.348 33.795 1.00 37.37 C ATOM 518 O SER A 52 17.844 11.518 34.840 1.00 31.07 O ATOM 519 CB SER A 52 18.061 13.340 32.352 1.00 32.83 C ATOM 520 OG SER A 52 17.235 12.485 31.579 1.00 34.18 O ATOM 521 HG SER A 52 17.791 11.998 30.921 1.00 0.00 H ATOM 522 H SER A 52 20.056 12.224 31.170 1.00 0.00 H ATOM 523 N GLN A 53 18.630 10.149 33.231 1.00 39.24 N ATOM 524 CA GLN A 53 18.077 8.944 33.832 1.00 38.60 C ATOM 525 C GLN A 53 18.917 8.434 34.995 1.00 42.75 C ATOM 526 O GLN A 53 18.402 7.689 35.836 1.00 49.62 O ATOM 527 CB GLN A 53 17.941 7.854 32.764 1.00 45.26 C ATOM 528 CG GLN A 53 17.052 6.685 33.151 1.00 52.31 C ATOM 529 CD GLN A 53 17.020 5.606 32.084 1.00 54.70 C ATOM 530 OE1 GLN A 53 17.776 5.656 31.113 1.00 47.07 O ATOM 531 NE2 GLN A 53 16.143 4.623 32.261 1.00 49.42 N ATOM 532 HE22 GLN A 53 15.524 4.622 33.097 1.00 0.00 H ATOM 533 HE21 GLN A 53 16.075 3.855 31.564 1.00 0.00 H ATOM 534 H GLN A 53 19.156 10.073 32.337 1.00 0.00 H ATOM 535 N LYS A 54 20.189 8.820 35.065 1.00 46.33 N ATOM 536 CA LYS A 54 21.080 8.372 36.131 1.00 44.04 C ATOM 537 C LYS A 54 20.918 9.217 37.391 1.00 41.23 C ATOM 538 O LYS A 54 19.842 9.262 37.990 1.00 42.15 O ATOM 539 CB LYS A 54 22.536 8.412 35.659 1.00 38.84 C ATOM 540 H LYS A 54 20.560 9.462 34.336 1.00 0.00 H TER 541 LYS A 54 HETATM 542 O HOH 1 18.948 -0.435 16.377 1.00 31.03 O HETATM 543 O HOH 2 16.860 12.422 6.786 1.00 26.71 O HETATM 544 O HOH 3 6.154 23.875 24.564 1.00 19.22 O HETATM 545 O HOH 4 -5.619 20.864 23.671 1.00 19.42 O HETATM 546 O HOH 5 17.418 13.148 10.544 1.00 24.62 O HETATM 547 O HOH 6 6.425 18.135 19.809 1.00 14.42 O HETATM 548 O HOH 7 6.499 17.825 25.841 1.00 18.82 O HETATM 549 O HOH 8 13.271 20.365 29.255 1.00 32.88 O HETATM 550 O HOH 9 2.203 22.204 16.508 1.00 23.24 O HETATM 551 O HOH 10 19.034 4.044 24.870 1.00 16.30 O HETATM 552 O HOH 11 13.646 3.076 28.439 1.00 23.99 O HETATM 553 O HOH 12 9.939 3.685 29.454 1.00 28.37 O HETATM 554 O HOH 13 6.970 12.985 8.246 1.00 25.12 O HETATM 555 O HOH 14 19.653 4.708 20.603 1.00 25.47 O HETATM 556 O HOH 15 19.527 8.427 10.378 1.00 24.45 O HETATM 557 O HOH 16 10.205 -5.667 16.668 1.00 26.32 O HETATM 558 O HOH 17 13.243 0.827 17.251 1.00 25.73 O HETATM 559 O HOH 18 10.956 20.839 13.916 1.00 19.79 O HETATM 560 O HOH 19 20.385 5.651 31.022 1.00 35.95 O HETATM 561 O HOH 20 17.404 15.291 25.108 1.00 21.26 O HETATM 562 O HOH 21 16.342 14.562 27.805 1.00 25.76 O HETATM 563 O HOH 22 6.337 0.242 19.361 1.00 25.80 O HETATM 564 O HOH 23 8.291 5.066 29.115 1.00 26.56 O HETATM 565 O HOH 24 16.232 -7.063 20.219 1.00 18.82 O HETATM 566 O HOH 25 20.803 15.028 31.573 1.00 35.24 O HETATM 567 O HOH 26 1.575 12.863 21.595 1.00 24.74 O HETATM 568 O HOH 27 19.507 7.109 16.900 1.00 24.10 O HETATM 569 O HOH 28 12.849 0.066 10.469 1.00 36.80 O HETATM 570 O HOH 29 16.231 -0.928 18.491 1.00 20.26 O HETATM 571 O HOH 30 17.046 -3.345 19.134 1.00 19.96 O HETATM 572 O HOH 31 23.345 16.176 30.728 1.00 38.27 O HETATM 573 O HOH 32 6.708 25.693 13.241 1.00 31.60 O HETATM 574 O HOH 33 10.312 0.492 16.753 1.00 23.96 O HETATM 575 O HOH 34 3.597 8.912 18.481 1.00 21.45 O HETATM 576 O HOH 35 19.873 5.419 11.077 1.00 27.86 O HETATM 577 O HOH 36 6.577 9.778 29.392 1.00 37.05 O HETATM 578 O HOH 37 12.144 26.455 19.200 1.00 28.11 O HETATM 579 O HOH 38 3.222 12.131 22.836 1.00 30.40 O HETATM 580 O HOH 39 16.790 23.935 19.203 1.00 37.35 O HETATM 581 O HOH 40 20.620 9.556 16.900 1.00 17.46 O HETATM 582 O HOH 41 12.382 22.009 11.888 1.00 33.03 O HETATM 583 O HOH 42 24.298 6.900 30.397 1.00 28.68 O HETATM 584 O HOH 43 2.234 10.179 22.353 1.00 26.78 O HETATM 585 O HOH 44 20.913 6.101 18.678 1.00 25.40 O HETATM 586 O HOH 45 9.444 -0.112 14.606 1.00 28.53 O HETATM 587 O HOH 46 18.767 22.925 14.930 1.00 30.70 O HETATM 588 O HOH 47 13.385 24.539 12.736 1.00 35.42 O HETATM 589 O HOH 48 5.198 9.691 13.598 1.00 25.29 O HETATM 590 O HOH 49 25.165 19.160 11.814 1.00 44.32 O HETATM 591 O HOH 50 15.189 5.565 9.551 1.00 22.17 O HETATM 592 O HOH 51 19.740 21.234 16.506 1.00 20.95 O HETATM 593 O HOH 52 7.935 4.002 12.029 1.00 30.25 O HETATM 594 O HOH 53 3.092 5.258 11.834 1.00 43.01 O HETATM 595 O HOH 54 22.285 21.693 17.276 1.00 31.18 O HETATM 596 N LYS A 55 23.351 19.825 13.495 1.00 0.24 N HETATM 597 CA LYS A 55 22.023 20.014 14.069 1.00 0.07 C HETATM 598 C LYS A 55 21.392 18.686 14.475 1.00 0.23 C HETATM 599 O LYS A 55 21.636 17.655 13.855 1.00 -0.39 O HETATM 600 N LYS A 55 20.583 18.725 15.530 1.00 -0.26 N HETATM 601 CA LYS A 55 19.896 17.543 16.036 1.00 0.13 C HETATM 602 C LYS A 55 18.559 17.416 15.315 1.00 0.20 C HETATM 603 O LYS A 55 17.636 18.201 15.559 1.00 -0.39 O HETATM 604 N LYS A 55 18.455 16.437 14.424 1.00 -0.26 N HETATM 605 CA LYS A 55 17.248 16.211 13.645 1.00 0.16 C HETATM 606 C LYS A 55 16.764 14.780 13.833 1.00 0.21 C HETATM 607 O LYS A 55 17.431 13.943 14.446 1.00 -0.39 O HETATM 608 N LYS A 55 15.584 14.510 13.282 1.00 -0.26 N HETATM 609 CA LYS A 55 15.046 13.160 13.215 1.00 0.13 C HETATM 610 C LYS A 55 13.994 13.119 12.119 1.00 0.20 C HETATM 611 O LYS A 55 13.409 14.143 11.755 1.00 -0.39 O HETATM 612 N LYS A 55 13.770 11.924 11.590 1.00 -0.26 N HETATM 613 CA LYS A 55 12.696 11.721 10.630 1.00 0.13 C HETATM 614 C LYS A 55 11.423 11.339 11.373 1.00 0.20 C HETATM 615 O LYS A 55 11.430 10.440 12.215 1.00 -0.39 O HETATM 616 N LYS A 55 10.340 12.046 11.077 1.00 -0.26 N HETATM 617 CA LYS A 55 9.064 11.768 11.686 1.00 0.13 C HETATM 618 CB LYS A 55 8.222 13.040 11.871 1.00 -0.01 C HETATM 619 CG LYS A 55 7.073 12.811 12.826 1.00 -0.04 C HETATM 620 CD LYS A 55 6.045 13.922 12.691 1.00 -0.01 C HETATM 621 CE LYS A 55 6.695 15.229 13.125 1.00 -0.03 C HETATM 622 NZ LYS A 55 5.805 16.446 13.282 1.00 0.24 N HETATM 623 CM1 LYS A 55 4.752 16.231 14.318 1.00 -0.04 C HETATM 624 H59 LYS A 55 4.130 17.134 14.401 1.00 0.08 H HETATM 625 H60 LYS A 55 5.228 16.024 15.287 1.00 0.08 H HETATM 626 H61 LYS A 55 4.122 15.377 14.029 1.00 0.08 H HETATM 627 CM2 LYS A 55 5.161 16.833 11.992 1.00 -0.04 C HETATM 628 H62 LYS A 55 5.936 16.992 11.228 1.00 0.08 H HETATM 629 H63 LYS A 55 4.589 17.762 12.132 1.00 0.08 H HETATM 630 H64 LYS A 55 4.483 16.031 11.665 1.00 0.08 H HETATM 631 CM3 LYS A 55 6.687 17.572 13.725 1.00 -0.04 C HETATM 632 H65 LYS A 55 7.172 17.306 14.676 1.00 0.08 H HETATM 633 H66 LYS A 55 6.081 18.480 13.864 1.00 0.08 H HETATM 634 H67 LYS A 55 7.456 17.758 12.961 1.00 0.08 H HETATM 635 H57 LYS A 55 7.461 15.478 12.376 1.00 0.08 H HETATM 636 H58 LYS A 55 7.177 15.048 14.097 1.00 0.08 H HETATM 637 H55 LYS A 55 5.178 13.707 13.333 1.00 0.03 H HETATM 638 H56 LYS A 55 5.716 14.000 11.644 1.00 0.03 H HETATM 639 H53 LYS A 55 7.456 12.794 13.857 1.00 0.03 H HETATM 640 H54 LYS A 55 6.597 11.846 12.596 1.00 0.03 H HETATM 641 H51 LYS A 55 7.819 13.347 10.895 1.00 0.03 H HETATM 642 H52 LYS A 55 8.864 13.839 12.270 1.00 0.03 H HETATM 643 C LYS A 55 8.260 10.773 10.862 1.00 0.20 C HETATM 644 O LYS A 55 8.006 10.939 9.667 1.00 -0.39 O HETATM 645 N LYS A 55 7.858 9.694 11.529 1.00 -0.26 N HETATM 646 CA LYS A 55 7.114 8.621 10.877 1.00 0.15 C HETATM 647 C LYS A 55 5.789 9.139 10.330 1.00 0.21 C HETATM 648 O LYS A 55 5.007 9.756 11.052 1.00 -0.39 O HETATM 649 N LYS A 55 5.551 8.884 9.046 1.00 -0.26 N HETATM 650 CA LYS A 55 4.392 9.417 8.345 1.00 0.16 C HETATM 651 C LYS A 55 3.242 8.418 8.366 1.00 0.21 C HETATM 652 O LYS A 55 3.433 7.225 8.115 1.00 -0.39 O HETATM 653 N LYS A 55 2.046 8.915 8.665 1.00 -0.27 N HETATM 654 CA LYS A 55 0.861 8.079 8.719 1.00 0.08 C HETATM 655 C LYS A 55 0.636 7.452 10.081 1.00 0.06 C HETATM 656 O LYS A 55 1.430 7.646 11.001 1.00 -0.57 O HETATM 657 OXT LYS A 55 -0.345 6.738 10.290 1.00 -0.57 O HETATM 658 H81 LYS A 55 0.966 7.274 7.976 1.00 0.07 H HETATM 659 H82 LYS A 55 -0.015 8.696 8.469 1.00 0.07 H HETATM 660 H80 LYS A 55 1.960 9.892 8.858 1.00 0.19 H HETATM 661 CB LYS A 55 4.756 9.763 6.899 1.00 0.09 C HETATM 662 OG1 LYS A 55 5.924 10.597 6.884 1.00 -0.39 O HETATM 663 H76 LYS A 55 5.747 11.396 7.366 1.00 0.21 H HETATM 664 CG2 LYS A 55 3.602 10.494 6.213 1.00 -0.03 C HETATM 665 H77 LYS A 55 3.884 10.733 5.177 1.00 0.03 H HETATM 666 H78 LYS A 55 3.382 11.424 6.757 1.00 0.03 H HETATM 667 H79 LYS A 55 2.710 9.851 6.211 1.00 0.03 H HETATM 668 H75 LYS A 55 4.968 8.833 6.351 1.00 0.06 H HETATM 669 H74 LYS A 55 4.068 10.336 8.855 1.00 0.08 H HETATM 670 H73 LYS A 55 6.193 8.304 8.544 1.00 0.19 H HETATM 671 CB LYS A 55 6.876 7.463 11.849 1.00 0.08 C HETATM 672 OG LYS A 55 8.102 6.865 12.235 1.00 -0.39 O HETATM 673 H72 LYS A 55 8.649 7.514 12.661 1.00 0.21 H HETATM 674 H70 LYS A 55 6.245 6.706 11.360 1.00 0.06 H HETATM 675 H71 LYS A 55 6.364 7.844 12.745 1.00 0.06 H HETATM 676 H69 LYS A 55 7.714 8.248 10.034 1.00 0.08 H HETATM 677 H68 LYS A 55 8.071 9.616 12.503 1.00 0.19 H HETATM 678 H50 LYS A 55 9.252 11.329 12.677 1.00 0.08 H HETATM 679 H49 LYS A 55 10.411 12.791 10.414 1.00 0.19 H HETATM 680 CB LYS A 55 13.071 10.651 9.602 1.00 -0.01 C HETATM 681 CG LYS A 55 14.116 11.116 8.599 1.00 -0.02 C HETATM 682 CD LYS A 55 14.488 10.016 7.622 1.00 0.06 C HETATM 683 NE LYS A 55 15.065 8.857 8.295 1.00 -0.27 N HETATM 684 CZ LYS A 55 16.350 8.745 8.616 1.00 0.29 C HETATM 685 NH1 LYS A 55 17.192 9.728 8.330 1.00 -0.28 N HETATM 686 H45 LYS A 55 18.188 9.642 8.579 1.00 0.26 H HETATM 687 H46 LYS A 55 16.850 10.578 7.859 1.00 0.26 H HETATM 688 NH2 LYS A 55 16.792 7.651 9.223 1.00 -0.28 N HETATM 689 H47 LYS A 55 16.139 6.886 9.446 1.00 0.26 H HETATM 690 H48 LYS A 55 17.788 7.566 9.471 1.00 0.26 H HETATM 691 H44 LYS A 55 14.437 8.077 8.536 1.00 0.26 H HETATM 692 H42 LYS A 55 15.222 10.412 6.905 1.00 0.07 H HETATM 693 H43 LYS A 55 13.583 9.699 7.083 1.00 0.07 H HETATM 694 H40 LYS A 55 15.019 11.428 9.144 1.00 0.03 H HETATM 695 H41 LYS A 55 13.714 11.971 8.036 1.00 0.03 H HETATM 696 H38 LYS A 55 12.163 10.363 9.051 1.00 0.03 H HETATM 697 H39 LYS A 55 13.467 9.776 10.138 1.00 0.03 H HETATM 698 H37 LYS A 55 12.520 12.666 10.095 1.00 0.08 H HETATM 699 H36 LYS A 55 14.347 11.152 11.855 1.00 0.19 H HETATM 700 CB LYS A 55 14.450 12.712 14.555 1.00 -0.02 C HETATM 701 H33 LYS A 55 14.057 11.689 14.458 1.00 0.03 H HETATM 702 H34 LYS A 55 13.634 13.393 14.839 1.00 0.03 H HETATM 703 H35 LYS A 55 15.231 12.732 15.329 1.00 0.03 H HETATM 704 H32 LYS A 55 15.861 12.469 12.953 1.00 0.08 H HETATM 705 H31 LYS A 55 15.047 15.262 12.900 1.00 0.19 H HETATM 706 CB LYS A 55 17.486 16.479 12.153 1.00 0.09 C HETATM 707 OG1 LYS A 55 18.400 15.503 11.638 1.00 -0.39 O HETATM 708 H27 LYS A 55 18.032 14.635 11.751 1.00 0.21 H HETATM 709 CG2 LYS A 55 18.057 17.878 11.935 1.00 -0.03 C HETATM 710 H28 LYS A 55 18.218 18.045 10.860 1.00 0.03 H HETATM 711 H29 LYS A 55 19.015 17.970 12.468 1.00 0.03 H HETATM 712 H30 LYS A 55 17.349 18.627 12.320 1.00 0.03 H HETATM 713 H26 LYS A 55 16.529 16.397 11.618 1.00 0.06 H HETATM 714 H25 LYS A 55 16.468 16.899 14.004 1.00 0.08 H HETATM 715 H24 LYS A 55 19.238 15.831 14.283 1.00 0.19 H HETATM 716 CB LYS A 55 19.702 17.645 17.547 1.00 0.00 C HETATM 717 CG LYS A 55 20.964 18.030 18.309 1.00 0.04 C HETATM 718 CD LYS A 55 22.064 16.991 18.188 1.00 0.17 C HETATM 719 OE1 LYS A 55 21.995 15.926 18.799 1.00 -0.40 O HETATM 720 NE2 LYS A 55 23.087 17.297 17.396 1.00 -0.30 N HETATM 721 H22 LYS A 55 23.840 16.649 17.279 1.00 0.18 H HETATM 722 H23 LYS A 55 23.104 18.175 16.917 1.00 0.18 H HETATM 723 H20 LYS A 55 20.710 18.150 19.372 1.00 0.05 H HETATM 724 H21 LYS A 55 21.337 18.985 17.911 1.00 0.05 H HETATM 725 H18 LYS A 55 19.358 16.668 17.918 1.00 0.03 H HETATM 726 H19 LYS A 55 18.932 18.405 17.746 1.00 0.03 H HETATM 727 H17 LYS A 55 20.505 16.652 15.820 1.00 0.08 H HETATM 728 H16 LYS A 55 20.441 19.599 15.994 1.00 0.19 H HETATM 729 CB LYS A 55 21.114 20.750 13.082 1.00 0.01 C HETATM 730 CG LYS A 55 21.501 20.565 11.625 1.00 -0.04 C HETATM 731 CD LYS A 55 20.590 21.369 10.708 1.00 -0.01 C HETATM 732 CE LYS A 55 21.122 21.402 9.284 1.00 -0.04 C HETATM 733 NZ LYS A 55 22.447 22.084 9.206 1.00 0.22 N HETATM 734 H13 LYS A 55 22.768 22.087 8.250 1.00 0.20 H HETATM 735 H14 LYS A 55 23.112 21.593 9.782 1.00 0.20 H HETATM 736 H15 LYS A 55 22.356 23.033 9.533 1.00 0.20 H HETATM 737 H11 LYS A 55 20.405 21.942 8.648 1.00 0.08 H HETATM 738 H12 LYS A 55 21.230 20.370 8.920 1.00 0.08 H HETATM 739 H9 LYS A 55 20.520 22.399 11.087 1.00 0.03 H HETATM 740 H10 LYS A 55 19.590 20.910 10.706 1.00 0.03 H HETATM 741 H7 LYS A 55 21.422 19.499 11.365 1.00 0.03 H HETATM 742 H8 LYS A 55 22.539 20.901 11.484 1.00 0.03 H HETATM 743 H5 LYS A 55 21.150 21.825 13.315 1.00 0.03 H HETATM 744 H6 LYS A 55 20.087 20.380 13.216 1.00 0.03 H HETATM 745 H4 LYS A 55 22.127 20.634 14.972 1.00 0.11 H HETATM 746 H1 LYS A 55 23.737 20.720 13.239 1.00 0.20 H HETATM 747 H2 LYS A 55 23.283 19.242 12.676 1.00 0.20 H HETATM 748 H3 LYS A 55 23.951 19.383 14.174 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 596 597 746 747 748 CONECT 597 596 598 729 745 CONECT 598 597 599 600 CONECT 599 598 CONECT 600 598 601 728 CONECT 601 600 602 716 727 CONECT 602 601 603 604 CONECT 603 602 CONECT 604 602 605 715 CONECT 605 604 606 706 714 CONECT 606 605 607 608 CONECT 607 606 CONECT 608 606 609 705 CONECT 609 608 610 700 704 CONECT 610 609 611 612 CONECT 611 610 CONECT 612 610 613 699 CONECT 613 612 614 680 698 CONECT 614 613 615 616 CONECT 615 614 CONECT 616 614 617 679 CONECT 617 616 618 643 678 CONECT 618 617 619 641 642 CONECT 619 618 620 639 640 CONECT 620 619 621 637 638 CONECT 621 620 622 635 636 CONECT 622 621 623 627 631 CONECT 623 622 624 625 626 CONECT 624 623 CONECT 625 623 CONECT 626 623 CONECT 627 622 628 629 630 CONECT 628 627 CONECT 629 627 CONECT 630 627 CONECT 631 622 632 633 634 CONECT 632 631 CONECT 633 631 CONECT 634 631 CONECT 635 621 CONECT 636 621 CONECT 637 620 CONECT 638 620 CONECT 639 619 CONECT 640 619 CONECT 641 618 CONECT 642 618 CONECT 643 617 644 645 CONECT 644 643 CONECT 645 643 646 677 CONECT 646 645 647 671 676 CONECT 647 646 648 649 CONECT 648 647 CONECT 649 647 650 670 CONECT 650 649 651 661 669 CONECT 651 650 652 653 CONECT 652 651 CONECT 653 651 654 660 CONECT 654 653 655 658 659 CONECT 655 654 656 657 CONECT 656 655 CONECT 657 655 CONECT 658 654 CONECT 659 654 CONECT 660 653 CONECT 661 650 662 664 668 CONECT 662 661 663 CONECT 663 662 CONECT 664 661 665 666 667 CONECT 665 664 CONECT 666 664 CONECT 667 664 CONECT 668 661 CONECT 669 650 CONECT 670 649 CONECT 671 646 672 674 675 CONECT 672 671 673 CONECT 673 672 CONECT 674 671 CONECT 675 671 CONECT 676 646 CONECT 677 645 CONECT 678 617 CONECT 679 616 CONECT 680 613 681 696 697 CONECT 681 680 682 694 695 CONECT 682 681 683 692 693 CONECT 683 682 684 691 CONECT 684 683 685 688 CONECT 685 684 686 687 CONECT 686 685 CONECT 687 685 CONECT 688 684 689 690 CONECT 689 688 CONECT 690 688 CONECT 691 683 CONECT 692 682 CONECT 693 682 CONECT 694 681 CONECT 695 681 CONECT 696 680 CONECT 697 680 CONECT 698 613 CONECT 699 612 CONECT 700 609 701 702 703 CONECT 701 700 CONECT 702 700 CONECT 703 700 CONECT 704 609 CONECT 705 608 CONECT 706 605 707 709 713 CONECT 707 706 708 CONECT 708 707 CONECT 709 706 710 711 712 CONECT 710 709 CONECT 711 709 CONECT 712 709 CONECT 713 706 CONECT 714 605 CONECT 715 604 CONECT 716 601 717 725 726 CONECT 717 716 718 723 724 CONECT 718 717 719 720 CONECT 719 718 CONECT 720 718 721 722 CONECT 721 720 CONECT 722 720 CONECT 723 717 CONECT 724 717 CONECT 725 716 CONECT 726 716 CONECT 727 601 CONECT 728 600 CONECT 729 597 730 743 744 CONECT 730 729 731 741 742 CONECT 731 730 732 739 740 CONECT 732 731 733 737 738 CONECT 733 732 734 735 736 CONECT 734 733 CONECT 735 733 CONECT 736 733 CONECT 737 732 CONECT 738 732 CONECT 739 731 CONECT 740 731 CONECT 741 730 CONECT 742 730 CONECT 743 729 CONECT 744 729 CONECT 745 597 CONECT 746 596 CONECT 747 596 CONECT 748 596 MASTER 0 0 0 0 0 0 0 0 747 1 157 5 END
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4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
6d07
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chromobox protein homolog 1
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=5.2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Am.Chem.Soc. Vol. 141: pp. 15466-15470
Ligand Properties
Formula
C
4
2
H
8
3
N
1
5
O
1
4
Molecular Weight
1022.200
Exact Mass
1021.620
No. of atoms
154
No. of bonds
153
Polar Surface Area
495.17
LOGP Value
-6.56 (
Computed with XLOGP3
)
-6.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])[NH3+])CCC(=O)N)C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C42H79N15O14/c1-22(50-41(71)33(24(3)60)56-38(68)28(15-16-30(45)61)52-35(65)25(44)12-7-9-17-43)34(64)51-27(14-11-18-48-42(46)47)36(66)53-26(13-8-10-19-57(4,5)6)37(67)54-29(21-58)39(69)55-32(23(2)59)40(70)49-20-31(62)63/h22-29,32-33,58-60H,7-21,43-44H2,1-6H3,(H14-,45,46,47,48,49,50,51,52,53,54,55,56,61,62,63,64,65,66,67,68,69,70,71)/p+4/t22-,23+,24+,25-,26-,27-,28-,29-,32-,33-/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):
P83916
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
10951
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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