Browse entries in the PDBbind-CN Database
HEADER 3TZD_COMPLEX COMPND 3TZD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 LEU TYR PHE GLN GLY GLU PHE VAL VAL GLU LYS VAL LEU SEQRES 2 A 58 ASP ARG ARG VAL VAL ASN GLY LYS VAL GLU TYR PHE LEU SEQRES 3 A 58 LYS TRP LYS GLY PHE THR ASP ALA ASP ASN THR TRP GLU SEQRES 4 A 58 PRO GLU GLU ASN LEU ASP CYS PRO GLU LEU ILE GLU ALA SEQRES 5 A 58 PHE LEU ASN SER GLN LYS HET TYR A 138 210 ATOM 1 N LEU A 24 22.440 27.682 9.547 1.00 30.09 N ATOM 2 CA LEU A 24 21.640 28.676 8.758 1.00 29.05 C ATOM 3 C LEU A 24 22.518 29.826 8.256 1.00 28.87 C ATOM 4 O LEU A 24 22.463 30.225 7.094 1.00 28.90 O ATOM 5 CB LEU A 24 20.466 29.225 9.600 1.00 29.68 C ATOM 6 CG LEU A 24 19.579 30.268 8.895 1.00 30.22 C ATOM 7 CD1 LEU A 24 19.096 29.755 7.500 1.00 28.66 C ATOM 8 CD2 LEU A 24 18.402 30.629 9.807 1.00 27.93 C ATOM 9 HA LEU A 24 21.234 28.157 7.889 1.00 0.00 H ATOM 10 HB2 LEU A 24 19.834 28.384 9.886 1.00 0.00 H ATOM 11 HB3 LEU A 24 20.881 29.687 10.496 1.00 0.00 H ATOM 12 HG LEU A 24 20.165 31.168 8.707 1.00 0.00 H ATOM 13 HD21 LEU A 24 17.818 29.733 10.016 1.00 0.00 H ATOM 14 HD22 LEU A 24 18.782 31.043 10.741 1.00 0.00 H ATOM 15 HD23 LEU A 24 17.772 31.367 9.310 1.00 0.00 H ATOM 16 HD11 LEU A 24 19.962 29.553 6.869 1.00 0.00 H ATOM 17 HD12 LEU A 24 18.518 28.840 7.631 1.00 0.00 H ATOM 18 HD13 LEU A 24 18.473 30.516 7.030 1.00 0.00 H ATOM 19 HN3 LEU A 24 22.866 28.156 10.369 1.00 0.00 H ATOM 20 HN2 LEU A 24 23.191 27.287 8.945 1.00 0.00 H ATOM 21 HN1 LEU A 24 21.816 26.916 9.872 1.00 0.00 H ATOM 22 N TYR A 25 23.333 30.363 9.151 1.00 29.33 N ATOM 23 CA TYR A 25 24.196 31.488 8.810 1.00 29.03 C ATOM 24 C TYR A 25 25.280 31.152 7.755 1.00 28.53 C ATOM 25 O TYR A 25 25.893 32.064 7.191 1.00 26.30 O ATOM 26 CB TYR A 25 24.803 32.097 10.084 1.00 30.00 C ATOM 27 CG TYR A 25 23.799 32.890 10.936 1.00 30.33 C ATOM 28 CD1 TYR A 25 22.542 33.238 10.443 1.00 31.78 C ATOM 29 CD2 TYR A 25 24.139 33.331 12.223 1.00 32.12 C ATOM 30 CE1 TYR A 25 21.633 33.969 11.218 1.00 29.90 C ATOM 31 CE2 TYR A 25 23.236 34.065 13.008 1.00 31.76 C ATOM 32 CZ TYR A 25 21.981 34.386 12.497 1.00 33.03 C ATOM 33 OH TYR A 25 21.082 35.124 13.280 1.00 32.19 O ATOM 34 HA TYR A 25 23.563 32.234 8.329 1.00 0.00 H ATOM 35 HB3 TYR A 25 25.611 32.768 9.792 1.00 0.00 H ATOM 36 HB2 TYR A 25 25.206 31.288 10.693 1.00 0.00 H ATOM 37 HD2 TYR A 25 25.126 33.099 12.623 1.00 0.00 H ATOM 38 HE2 TYR A 25 23.516 34.382 14.013 1.00 0.00 H ATOM 39 HE1 TYR A 25 20.649 34.212 10.817 1.00 0.00 H ATOM 40 HD1 TYR A 25 22.261 32.935 9.434 1.00 0.00 H ATOM 41 HH TYR A 25 20.243 35.265 12.773 1.00 0.00 H ATOM 42 H TYR A 25 23.358 29.975 10.116 1.00 0.00 H ATOM 43 N PHE A 26 25.484 29.855 7.474 1.00 27.70 N ATOM 44 CA PHE A 26 26.463 29.470 6.420 1.00 28.28 C ATOM 45 C PHE A 26 25.848 28.999 5.123 1.00 28.20 C ATOM 46 O PHE A 26 26.565 28.642 4.172 1.00 28.80 O ATOM 47 CB PHE A 26 27.460 28.456 6.960 1.00 29.35 C ATOM 48 CG PHE A 26 28.266 28.988 8.082 1.00 30.17 C ATOM 49 CD1 PHE A 26 29.369 29.812 7.826 1.00 30.80 C ATOM 50 CD2 PHE A 26 27.922 28.698 9.396 1.00 30.91 C ATOM 51 CE1 PHE A 26 30.118 30.315 8.875 1.00 32.11 C ATOM 52 CE2 PHE A 26 28.668 29.209 10.473 1.00 31.27 C ATOM 53 CZ PHE A 26 29.759 30.014 10.207 1.00 31.75 C ATOM 54 HA PHE A 26 26.986 30.390 6.159 1.00 0.00 H ATOM 55 HB2 PHE A 26 26.913 27.580 7.308 1.00 0.00 H ATOM 56 HB3 PHE A 26 28.133 28.165 6.154 1.00 0.00 H ATOM 57 HD2 PHE A 26 27.059 28.063 9.596 1.00 0.00 H ATOM 58 HE2 PHE A 26 28.390 28.974 11.500 1.00 0.00 H ATOM 59 HZ PHE A 26 30.346 30.419 11.031 1.00 0.00 H ATOM 60 HE1 PHE A 26 30.985 30.944 8.673 1.00 0.00 H ATOM 61 HD1 PHE A 26 29.638 30.058 6.799 1.00 0.00 H ATOM 62 H PHE A 26 24.959 29.121 7.991 1.00 0.00 H ATOM 63 N GLN A 27 24.518 29.038 5.064 1.00 26.05 N ATOM 64 CA GLN A 27 23.791 28.646 3.876 1.00 25.44 C ATOM 65 C GLN A 27 23.812 29.762 2.833 1.00 23.05 C ATOM 66 O GLN A 27 24.245 30.887 3.134 1.00 20.38 O ATOM 67 CB GLN A 27 22.350 28.285 4.251 1.00 25.36 C ATOM 68 CG GLN A 27 22.278 27.084 5.201 1.00 29.04 C ATOM 69 CD GLN A 27 20.857 26.666 5.554 1.00 30.89 C ATOM 70 OE1 GLN A 27 19.889 27.047 4.881 1.00 38.67 O ATOM 71 NE2 GLN A 27 20.724 25.874 6.619 1.00 36.58 N ATOM 72 HA GLN A 27 24.275 27.773 3.439 1.00 0.00 H ATOM 73 HB2 GLN A 27 21.888 29.145 4.737 1.00 0.00 H ATOM 74 HB3 GLN A 27 21.800 28.045 3.341 1.00 0.00 H ATOM 75 HG2 GLN A 27 22.777 26.239 4.727 1.00 0.00 H ATOM 76 HG3 GLN A 27 22.800 27.342 6.122 1.00 0.00 H ATOM 77 HE22 GLN A 27 21.565 25.578 7.155 1.00 0.00 H ATOM 78 HE21 GLN A 27 19.780 25.552 6.913 1.00 0.00 H ATOM 79 H GLN A 27 23.986 29.360 5.897 1.00 0.00 H ATOM 80 N GLY A 28 23.388 29.404 1.615 1.00 21.80 N ATOM 81 CA GLY A 28 23.312 30.315 0.474 1.00 20.16 C ATOM 82 C GLY A 28 24.709 30.557 -0.067 1.00 20.30 C ATOM 83 O GLY A 28 25.652 29.789 0.224 1.00 20.75 O ATOM 84 HA3 GLY A 28 22.875 31.262 0.792 1.00 0.00 H ATOM 85 HA2 GLY A 28 22.691 29.873 -0.305 1.00 0.00 H ATOM 86 H GLY A 28 23.094 28.417 1.471 1.00 0.00 H ATOM 87 N GLU A 29 24.863 31.656 -0.798 1.00 18.12 N ATOM 88 CA GLU A 29 26.119 31.928 -1.476 1.00 18.37 C ATOM 89 C GLU A 29 26.772 33.228 -1.019 1.00 15.92 C ATOM 90 O GLU A 29 26.095 34.180 -0.586 1.00 15.55 O ATOM 91 CB GLU A 29 25.893 31.939 -2.986 1.00 18.38 C ATOM 92 CG GLU A 29 25.547 30.506 -3.563 1.00 20.96 C ATOM 93 CD GLU A 29 25.174 30.585 -5.038 1.00 22.66 C ATOM 94 OE1 GLU A 29 24.048 31.062 -5.348 1.00 27.03 O ATOM 95 OE2 GLU A 29 26.011 30.206 -5.883 1.00 28.21 O ATOM 96 HA GLU A 29 26.812 31.130 -1.212 1.00 0.00 H ATOM 97 HB2 GLU A 29 25.067 32.614 -3.210 1.00 0.00 H ATOM 98 HB3 GLU A 29 26.799 32.301 -3.472 1.00 0.00 H ATOM 99 HG2 GLU A 29 26.415 29.857 -3.449 1.00 0.00 H ATOM 100 HG3 GLU A 29 24.708 30.090 -3.005 1.00 0.00 H ATOM 101 H GLU A 29 24.075 32.329 -0.886 1.00 0.00 H ATOM 102 N PHE A 30 28.093 33.258 -1.139 1.00 14.80 N ATOM 103 CA PHE A 30 28.894 34.420 -0.728 1.00 14.70 C ATOM 104 C PHE A 30 29.832 34.763 -1.876 1.00 13.95 C ATOM 105 O PHE A 30 30.168 33.880 -2.709 1.00 13.46 O ATOM 106 CB PHE A 30 29.734 34.095 0.493 1.00 15.55 C ATOM 107 CG PHE A 30 28.935 33.801 1.699 1.00 16.32 C ATOM 108 CD1 PHE A 30 28.533 34.836 2.537 1.00 20.22 C ATOM 109 CD2 PHE A 30 28.547 32.493 1.993 1.00 18.55 C ATOM 110 CE1 PHE A 30 27.783 34.561 3.674 1.00 16.96 C ATOM 111 CE2 PHE A 30 27.760 32.225 3.146 1.00 20.52 C ATOM 112 CZ PHE A 30 27.411 33.258 3.967 1.00 18.73 C ATOM 113 HA PHE A 30 28.229 35.249 -0.484 1.00 0.00 H ATOM 114 HB2 PHE A 30 30.349 33.224 0.266 1.00 0.00 H ATOM 115 HB3 PHE A 30 30.378 34.948 0.706 1.00 0.00 H ATOM 116 HD2 PHE A 30 28.848 31.676 1.338 1.00 0.00 H ATOM 117 HE2 PHE A 30 27.439 31.208 3.372 1.00 0.00 H ATOM 118 HZ PHE A 30 26.831 33.055 4.867 1.00 0.00 H ATOM 119 HE1 PHE A 30 27.486 35.373 4.338 1.00 0.00 H ATOM 120 HD1 PHE A 30 28.807 35.864 2.301 1.00 0.00 H ATOM 121 H PHE A 30 28.579 32.430 -1.538 1.00 0.00 H ATOM 122 N VAL A 31 30.224 36.038 -1.941 1.00 12.93 N ATOM 123 CA VAL A 31 31.137 36.487 -2.993 1.00 14.12 C ATOM 124 C VAL A 31 32.545 35.925 -2.757 1.00 13.76 C ATOM 125 O VAL A 31 33.095 36.028 -1.657 1.00 13.80 O ATOM 126 CB VAL A 31 31.228 38.027 -3.051 1.00 14.13 C ATOM 127 CG1 VAL A 31 32.273 38.472 -4.132 1.00 15.03 C ATOM 128 CG2 VAL A 31 29.831 38.594 -3.319 1.00 14.11 C ATOM 129 HA VAL A 31 30.738 36.120 -3.938 1.00 0.00 H ATOM 130 HB VAL A 31 31.579 38.423 -2.098 1.00 0.00 H ATOM 131 HG11 VAL A 31 33.252 38.067 -3.877 1.00 0.00 H ATOM 132 HG12 VAL A 31 31.966 38.097 -5.108 1.00 0.00 H ATOM 133 HG13 VAL A 31 32.324 39.560 -4.159 1.00 0.00 H ATOM 134 HG21 VAL A 31 29.460 38.209 -4.269 1.00 0.00 H ATOM 135 HG22 VAL A 31 29.158 38.293 -2.516 1.00 0.00 H ATOM 136 HG23 VAL A 31 29.884 39.682 -3.362 1.00 0.00 H ATOM 137 H VAL A 31 29.877 36.719 -1.236 1.00 0.00 H ATOM 138 N VAL A 32 33.098 35.352 -3.822 1.00 13.93 N ATOM 139 CA VAL A 32 34.483 34.856 -3.826 1.00 13.05 C ATOM 140 C VAL A 32 35.429 35.951 -4.301 1.00 14.10 C ATOM 141 O VAL A 32 35.205 36.537 -5.356 1.00 13.85 O ATOM 142 CB VAL A 32 34.609 33.625 -4.738 1.00 13.03 C ATOM 143 CG1 VAL A 32 36.077 33.146 -4.770 1.00 13.45 C ATOM 144 CG2 VAL A 32 33.627 32.504 -4.248 1.00 14.42 C ATOM 145 HA VAL A 32 34.751 34.568 -2.809 1.00 0.00 H ATOM 146 HB VAL A 32 34.329 33.883 -5.759 1.00 0.00 H ATOM 147 HG11 VAL A 32 36.711 33.946 -5.153 1.00 0.00 H ATOM 148 HG12 VAL A 32 36.394 32.882 -3.761 1.00 0.00 H ATOM 149 HG13 VAL A 32 36.159 32.273 -5.418 1.00 0.00 H ATOM 150 HG21 VAL A 32 33.878 32.225 -3.225 1.00 0.00 H ATOM 151 HG22 VAL A 32 32.604 32.878 -4.283 1.00 0.00 H ATOM 152 HG23 VAL A 32 33.719 31.633 -4.897 1.00 0.00 H ATOM 153 H VAL A 32 32.529 35.250 -4.686 1.00 0.00 H ATOM 154 N GLU A 33 36.475 36.225 -3.522 1.00 14.25 N ATOM 155 CA GLU A 33 37.483 37.224 -3.933 1.00 15.19 C ATOM 156 C GLU A 33 38.588 36.666 -4.862 1.00 15.13 C ATOM 157 O GLU A 33 38.934 37.294 -5.884 1.00 15.03 O ATOM 158 CB GLU A 33 38.100 37.887 -2.707 1.00 16.22 C ATOM 159 CG GLU A 33 39.095 39.027 -3.024 1.00 16.91 C ATOM 160 CD GLU A 33 39.745 39.583 -1.759 1.00 18.34 C ATOM 161 OE1 GLU A 33 39.117 39.528 -0.688 1.00 25.88 O ATOM 162 OE2 GLU A 33 40.904 40.057 -1.843 1.00 23.93 O ATOM 163 HA GLU A 33 36.946 37.964 -4.526 1.00 0.00 H ATOM 164 HB2 GLU A 33 37.293 38.298 -2.100 1.00 0.00 H ATOM 165 HB3 GLU A 33 38.628 37.123 -2.137 1.00 0.00 H ATOM 166 HG2 GLU A 33 39.875 38.642 -3.681 1.00 0.00 H ATOM 167 HG3 GLU A 33 38.560 39.832 -3.529 1.00 0.00 H ATOM 168 H GLU A 33 36.583 35.730 -2.614 1.00 0.00 H ATOM 169 N LYS A 34 39.126 35.497 -4.535 1.00 14.75 N ATOM 170 CA LYS A 34 40.112 34.879 -5.414 1.00 13.50 C ATOM 171 C LYS A 34 40.178 33.382 -5.167 1.00 13.32 C ATOM 172 O LYS A 34 39.760 32.878 -4.120 1.00 13.08 O ATOM 173 CB LYS A 34 41.512 35.503 -5.241 1.00 13.37 C ATOM 174 CG LYS A 34 42.508 35.187 -6.399 1.00 12.26 C ATOM 175 CD LYS A 34 43.988 35.484 -6.040 1.00 11.83 C ATOM 176 CE LYS A 34 44.307 36.965 -5.968 1.00 10.96 C ATOM 177 NZ LYS A 34 45.747 37.282 -6.228 1.00 5.80 N ATOM 178 HA LYS A 34 39.791 35.063 -6.439 1.00 0.00 H ATOM 179 HB2 LYS A 34 41.397 36.585 -5.176 1.00 0.00 H ATOM 180 HB3 LYS A 34 41.940 35.128 -4.311 1.00 0.00 H ATOM 181 HG2 LYS A 34 42.419 34.131 -6.652 1.00 0.00 H ATOM 182 HG3 LYS A 34 42.235 35.791 -7.264 1.00 0.00 H ATOM 183 HD2 LYS A 34 44.205 35.036 -5.070 1.00 0.00 H ATOM 184 HD3 LYS A 34 44.625 35.030 -6.799 1.00 0.00 H ATOM 185 HE2 LYS A 34 44.049 37.325 -4.972 1.00 0.00 H ATOM 186 HE3 LYS A 34 43.700 37.485 -6.709 1.00 0.00 H ATOM 187 HZ1 LYS A 34 46.340 36.802 -5.521 1.00 0.00 H ATOM 188 HZ2 LYS A 34 46.006 36.954 -7.180 1.00 0.00 H ATOM 189 HZ3 LYS A 34 45.892 38.310 -6.163 1.00 0.00 H ATOM 190 H LYS A 34 38.845 35.023 -3.653 1.00 0.00 H ATOM 191 N VAL A 35 40.731 32.699 -6.156 1.00 13.54 N ATOM 192 CA VAL A 35 40.915 31.231 -6.136 1.00 13.27 C ATOM 193 C VAL A 35 42.441 31.057 -6.014 1.00 13.12 C ATOM 194 O VAL A 35 43.198 31.626 -6.798 1.00 13.41 O ATOM 195 CB VAL A 35 40.365 30.575 -7.416 1.00 14.21 C ATOM 196 CG1 VAL A 35 40.876 29.094 -7.500 1.00 14.07 C ATOM 197 CG2 VAL A 35 38.793 30.610 -7.423 1.00 14.93 C ATOM 198 HA VAL A 35 40.374 30.749 -5.322 1.00 0.00 H ATOM 199 HB VAL A 35 40.720 31.131 -8.283 1.00 0.00 H ATOM 200 HG11 VAL A 35 41.966 29.088 -7.525 1.00 0.00 H ATOM 201 HG12 VAL A 35 40.528 28.541 -6.627 1.00 0.00 H ATOM 202 HG13 VAL A 35 40.488 28.628 -8.406 1.00 0.00 H ATOM 203 HG21 VAL A 35 38.415 30.067 -6.556 1.00 0.00 H ATOM 204 HG22 VAL A 35 38.454 31.645 -7.382 1.00 0.00 H ATOM 205 HG23 VAL A 35 38.424 30.142 -8.336 1.00 0.00 H ATOM 206 H VAL A 35 41.054 33.223 -6.994 1.00 0.00 H ATOM 207 N LEU A 36 42.873 30.389 -4.951 1.00 12.45 N ATOM 208 CA LEU A 36 44.289 30.291 -4.602 1.00 11.93 C ATOM 209 C LEU A 36 44.991 28.975 -4.892 1.00 12.18 C ATOM 210 O LEU A 36 46.214 28.930 -4.942 1.00 11.07 O ATOM 211 CB LEU A 36 44.429 30.556 -3.086 1.00 12.79 C ATOM 212 CG LEU A 36 44.036 31.984 -2.682 1.00 15.70 C ATOM 213 CD1 LEU A 36 43.916 32.020 -1.133 1.00 16.49 C ATOM 214 CD2 LEU A 36 45.027 32.990 -3.160 1.00 19.97 C ATOM 215 HA LEU A 36 44.775 31.024 -5.246 1.00 0.00 H ATOM 216 HB2 LEU A 36 43.788 29.856 -2.551 1.00 0.00 H ATOM 217 HB3 LEU A 36 45.467 30.388 -2.799 1.00 0.00 H ATOM 218 HG LEU A 36 43.086 32.246 -3.147 1.00 0.00 H ATOM 219 HD21 LEU A 36 46.004 32.769 -2.729 1.00 0.00 H ATOM 220 HD22 LEU A 36 45.090 32.948 -4.247 1.00 0.00 H ATOM 221 HD23 LEU A 36 44.709 33.986 -2.852 1.00 0.00 H ATOM 222 HD11 LEU A 36 43.153 31.311 -0.812 1.00 0.00 H ATOM 223 HD12 LEU A 36 44.874 31.750 -0.689 1.00 0.00 H ATOM 224 HD13 LEU A 36 43.637 33.024 -0.815 1.00 0.00 H ATOM 225 H LEU A 36 42.175 29.916 -4.342 1.00 0.00 H ATOM 226 N ASP A 37 44.216 27.903 -4.995 1.00 12.78 N ATOM 227 CA ASP A 37 44.803 26.564 -5.134 1.00 12.28 C ATOM 228 C ASP A 37 43.690 25.563 -5.483 1.00 12.74 C ATOM 229 O ASP A 37 42.492 25.895 -5.428 1.00 13.38 O ATOM 230 CB ASP A 37 45.479 26.175 -3.800 1.00 11.18 C ATOM 231 CG ASP A 37 46.526 25.062 -3.965 1.00 13.91 C ATOM 232 OD1 ASP A 37 46.788 24.592 -5.102 1.00 14.50 O ATOM 233 OD2 ASP A 37 47.056 24.655 -2.926 1.00 13.34 O ATOM 234 HA ASP A 37 45.549 26.554 -5.929 1.00 0.00 H ATOM 235 HB2 ASP A 37 45.970 27.057 -3.388 1.00 0.00 H ATOM 236 HB3 ASP A 37 44.711 25.831 -3.107 1.00 0.00 H ATOM 237 H ASP A 37 43.182 28.012 -4.977 1.00 0.00 H ATOM 238 N ARG A 38 44.114 24.361 -5.870 1.00 12.83 N ATOM 239 CA ARG A 38 43.261 23.257 -6.245 1.00 12.86 C ATOM 240 C ARG A 38 43.847 21.996 -5.619 1.00 13.15 C ATOM 241 O ARG A 38 45.064 21.824 -5.573 1.00 12.65 O ATOM 242 CB ARG A 38 43.229 23.090 -7.779 1.00 12.72 C ATOM 243 CG ARG A 38 42.343 21.933 -8.232 1.00 14.64 C ATOM 244 CD ARG A 38 42.028 22.051 -9.722 1.00 14.53 C ATOM 245 NE ARG A 38 43.184 21.771 -10.589 1.00 13.36 N ATOM 246 CZ ARG A 38 43.097 21.849 -11.927 1.00 15.95 C ATOM 247 NH1 ARG A 38 41.961 22.251 -12.494 1.00 16.51 N ATOM 248 NH2 ARG A 38 44.128 21.540 -12.695 1.00 15.71 N ATOM 249 HA ARG A 38 42.243 23.439 -5.900 1.00 0.00 H ATOM 250 HB2 ARG A 38 42.851 24.012 -8.222 1.00 0.00 H ATOM 251 HB3 ARG A 38 44.245 22.909 -8.131 1.00 0.00 H ATOM 252 HG2 ARG A 38 42.860 20.991 -8.048 1.00 0.00 H ATOM 253 HG3 ARG A 38 41.412 21.951 -7.666 1.00 0.00 H ATOM 254 HD2 ARG A 38 41.683 23.065 -9.923 1.00 0.00 H ATOM 255 HD3 ARG A 38 41.235 21.344 -9.965 1.00 0.00 H ATOM 256 HE ARG A 38 44.091 21.506 -10.155 1.00 0.00 H ATOM 257 HH12 ARG A 38 41.890 22.313 -13.530 1.00 0.00 H ATOM 258 HH11 ARG A 38 41.145 22.503 -11.901 1.00 0.00 H ATOM 259 HH22 ARG A 38 44.044 21.606 -13.730 1.00 0.00 H ATOM 260 HH21 ARG A 38 45.023 21.231 -12.265 1.00 0.00 H ATOM 261 H ARG A 38 45.142 24.205 -5.905 1.00 0.00 H ATOM 262 N ARG A 39 42.960 21.104 -5.174 1.00 13.44 N ATOM 263 CA ARG A 39 43.385 19.784 -4.697 1.00 12.18 C ATOM 264 C ARG A 39 42.324 18.769 -5.043 1.00 12.82 C ATOM 265 O ARG A 39 41.204 19.130 -5.452 1.00 13.25 O ATOM 266 CB ARG A 39 43.644 19.795 -3.161 1.00 12.53 C ATOM 267 CG ARG A 39 42.343 19.831 -2.310 1.00 11.47 C ATOM 268 CD ARG A 39 42.742 19.961 -0.834 1.00 12.08 C ATOM 269 NE ARG A 39 41.529 20.041 -0.013 1.00 13.05 N ATOM 270 CZ ARG A 39 41.521 20.282 1.313 1.00 13.50 C ATOM 271 NH1 ARG A 39 42.660 20.467 2.018 1.00 14.58 N ATOM 272 NH2 ARG A 39 40.347 20.302 1.948 1.00 12.67 N ATOM 273 HA ARG A 39 44.322 19.518 -5.186 1.00 0.00 H ATOM 274 HB2 ARG A 39 44.203 18.896 -2.899 1.00 0.00 H ATOM 275 HB3 ARG A 39 44.239 20.675 -2.918 1.00 0.00 H ATOM 276 HG2 ARG A 39 41.732 20.684 -2.604 1.00 0.00 H ATOM 277 HG3 ARG A 39 41.777 18.912 -2.460 1.00 0.00 H ATOM 278 HD2 ARG A 39 43.337 20.863 -0.695 1.00 0.00 H ATOM 279 HD3 ARG A 39 43.328 19.091 -0.536 1.00 0.00 H ATOM 280 HE ARG A 39 40.613 19.902 -0.486 1.00 0.00 H ATOM 281 HH12 ARG A 39 42.615 20.651 3.041 1.00 0.00 H ATOM 282 HH11 ARG A 39 43.581 20.425 1.538 1.00 0.00 H ATOM 283 HH22 ARG A 39 40.312 20.486 2.971 1.00 0.00 H ATOM 284 HH21 ARG A 39 39.467 20.134 1.420 1.00 0.00 H ATOM 285 H ARG A 39 41.949 21.349 -5.165 1.00 0.00 H ATOM 286 N VAL A 40 42.689 17.495 -4.828 1.00 12.89 N ATOM 287 CA VAL A 40 41.763 16.377 -4.995 1.00 13.77 C ATOM 288 C VAL A 40 41.632 15.632 -3.657 1.00 14.19 C ATOM 289 O VAL A 40 42.645 15.287 -3.011 1.00 13.90 O ATOM 290 CB VAL A 40 42.251 15.409 -6.106 1.00 14.05 C ATOM 291 CG1 VAL A 40 41.278 14.218 -6.240 1.00 14.24 C ATOM 292 CG2 VAL A 40 42.401 16.164 -7.416 1.00 14.87 C ATOM 293 HA VAL A 40 40.790 16.764 -5.298 1.00 0.00 H ATOM 294 HB VAL A 40 43.227 15.006 -5.837 1.00 0.00 H ATOM 295 HG11 VAL A 40 41.231 13.681 -5.293 1.00 0.00 H ATOM 296 HG12 VAL A 40 40.286 14.588 -6.499 1.00 0.00 H ATOM 297 HG13 VAL A 40 41.632 13.547 -7.023 1.00 0.00 H ATOM 298 HG21 VAL A 40 41.438 16.587 -7.703 1.00 0.00 H ATOM 299 HG22 VAL A 40 43.128 16.966 -7.290 1.00 0.00 H ATOM 300 HG23 VAL A 40 42.744 15.479 -8.191 1.00 0.00 H ATOM 301 H VAL A 40 43.666 17.297 -4.532 1.00 0.00 H ATOM 302 N VAL A 41 40.382 15.407 -3.246 1.00 15.57 N ATOM 303 CA VAL A 41 40.094 14.646 -2.039 1.00 17.10 C ATOM 304 C VAL A 41 39.027 13.613 -2.373 1.00 17.62 C ATOM 305 O VAL A 41 37.909 13.970 -2.695 1.00 16.81 O ATOM 306 CB VAL A 41 39.519 15.517 -0.896 1.00 19.34 C ATOM 307 CG1 VAL A 41 39.455 14.667 0.412 1.00 20.13 C ATOM 308 CG2 VAL A 41 40.360 16.733 -0.647 1.00 18.00 C ATOM 309 HA VAL A 41 41.035 14.208 -1.705 1.00 0.00 H ATOM 310 HB VAL A 41 38.524 15.848 -1.192 1.00 0.00 H ATOM 311 HG11 VAL A 41 38.812 13.802 0.251 1.00 0.00 H ATOM 312 HG12 VAL A 41 40.458 14.331 0.675 1.00 0.00 H ATOM 313 HG13 VAL A 41 39.051 15.276 1.220 1.00 0.00 H ATOM 314 HG21 VAL A 41 41.368 16.425 -0.370 1.00 0.00 H ATOM 315 HG22 VAL A 41 40.399 17.338 -1.553 1.00 0.00 H ATOM 316 HG23 VAL A 41 39.922 17.317 0.162 1.00 0.00 H ATOM 317 H VAL A 41 39.591 15.786 -3.804 1.00 0.00 H ATOM 318 N ASN A 42 39.346 12.330 -2.281 1.00 18.05 N ATOM 319 CA ASN A 42 38.294 11.286 -2.444 1.00 18.45 C ATOM 320 C ASN A 42 37.524 11.457 -3.755 1.00 18.04 C ATOM 321 O ASN A 42 36.275 11.421 -3.807 1.00 17.77 O ATOM 322 CB ASN A 42 37.342 11.247 -1.229 1.00 19.23 C ATOM 323 CG ASN A 42 36.718 9.852 -0.996 1.00 18.83 C ATOM 324 OD1 ASN A 42 37.232 8.833 -1.467 1.00 18.49 O ATOM 325 ND2 ASN A 42 35.600 9.821 -0.272 1.00 21.43 N ATOM 326 HA ASN A 42 38.801 10.323 -2.492 1.00 0.00 H ATOM 327 HB2 ASN A 42 37.903 11.530 -0.338 1.00 0.00 H ATOM 328 HB3 ASN A 42 36.538 11.964 -1.394 1.00 0.00 H ATOM 329 HD22 ASN A 42 35.201 10.704 0.106 1.00 0.00 H ATOM 330 HD21 ASN A 42 35.127 8.914 -0.085 1.00 0.00 H ATOM 331 H ASN A 42 40.331 12.051 -2.095 1.00 0.00 H ATOM 332 N GLY A 43 38.264 11.676 -4.836 1.00 18.06 N ATOM 333 CA GLY A 43 37.612 11.731 -6.133 1.00 17.42 C ATOM 334 C GLY A 43 36.931 13.037 -6.494 1.00 17.95 C ATOM 335 O GLY A 43 36.353 13.177 -7.586 1.00 18.96 O ATOM 336 HA3 GLY A 43 36.857 10.946 -6.158 1.00 0.00 H ATOM 337 HA2 GLY A 43 38.368 11.530 -6.892 1.00 0.00 H ATOM 338 H GLY A 43 39.293 11.806 -4.755 1.00 0.00 H ATOM 339 N LYS A 44 37.005 14.005 -5.590 1.00 17.78 N ATOM 340 CA LYS A 44 36.389 15.308 -5.815 1.00 18.00 C ATOM 341 C LYS A 44 37.465 16.381 -5.901 1.00 16.93 C ATOM 342 O LYS A 44 38.384 16.375 -5.108 1.00 17.05 O ATOM 343 CB LYS A 44 35.452 15.644 -4.645 1.00 17.88 C ATOM 344 CG LYS A 44 34.257 14.738 -4.490 1.00 22.82 C ATOM 345 CD LYS A 44 33.051 15.568 -4.063 1.00 32.89 C ATOM 346 CE LYS A 44 31.791 14.704 -3.837 1.00 38.19 C ATOM 347 NZ LYS A 44 31.706 13.533 -4.781 1.00 40.83 N ATOM 348 HA LYS A 44 35.826 15.275 -6.747 1.00 0.00 H ATOM 349 HB2 LYS A 44 36.033 15.595 -3.724 1.00 0.00 H ATOM 350 HB3 LYS A 44 35.087 16.661 -4.788 1.00 0.00 H ATOM 351 HG2 LYS A 44 34.045 14.248 -5.440 1.00 0.00 H ATOM 352 HG3 LYS A 44 34.467 13.983 -3.732 1.00 0.00 H ATOM 353 HD2 LYS A 44 33.293 16.085 -3.134 1.00 0.00 H ATOM 354 HD3 LYS A 44 32.838 16.302 -4.840 1.00 0.00 H ATOM 355 HE2 LYS A 44 30.910 15.330 -3.978 1.00 0.00 H ATOM 356 HE3 LYS A 44 31.807 14.326 -2.815 1.00 0.00 H ATOM 357 HZ1 LYS A 44 31.681 13.880 -5.761 1.00 0.00 H ATOM 358 HZ2 LYS A 44 32.537 12.922 -4.650 1.00 0.00 H ATOM 359 HZ3 LYS A 44 30.841 12.991 -4.582 1.00 0.00 H ATOM 360 H LYS A 44 37.514 13.831 -4.700 1.00 0.00 H ATOM 361 N VAL A 45 37.292 17.335 -6.806 1.00 16.48 N ATOM 362 CA VAL A 45 38.240 18.434 -6.946 1.00 15.77 C ATOM 363 C VAL A 45 37.697 19.558 -6.062 1.00 15.49 C ATOM 364 O VAL A 45 36.487 19.870 -6.107 1.00 16.55 O ATOM 365 CB VAL A 45 38.333 18.906 -8.395 1.00 16.43 C ATOM 366 CG1 VAL A 45 39.164 20.207 -8.504 1.00 16.10 C ATOM 367 CG2 VAL A 45 38.870 17.762 -9.268 1.00 16.81 C ATOM 368 HA VAL A 45 39.244 18.125 -6.654 1.00 0.00 H ATOM 369 HB VAL A 45 37.341 19.162 -8.768 1.00 0.00 H ATOM 370 HG11 VAL A 45 38.691 20.990 -7.911 1.00 0.00 H ATOM 371 HG12 VAL A 45 40.172 20.025 -8.130 1.00 0.00 H ATOM 372 HG13 VAL A 45 39.213 20.519 -9.547 1.00 0.00 H ATOM 373 HG21 VAL A 45 39.859 17.470 -8.914 1.00 0.00 H ATOM 374 HG22 VAL A 45 38.194 16.910 -9.204 1.00 0.00 H ATOM 375 HG23 VAL A 45 38.937 18.097 -10.303 1.00 0.00 H ATOM 376 H VAL A 45 36.461 17.298 -7.430 1.00 0.00 H ATOM 377 N GLU A 46 38.579 20.097 -5.239 1.00 13.79 N ATOM 378 CA GLU A 46 38.260 21.270 -4.394 1.00 13.48 C ATOM 379 C GLU A 46 39.186 22.428 -4.714 1.00 13.72 C ATOM 380 O GLU A 46 40.343 22.196 -5.124 1.00 13.78 O ATOM 381 CB GLU A 46 38.442 20.910 -2.932 1.00 12.88 C ATOM 382 CG GLU A 46 37.482 19.797 -2.453 1.00 12.17 C ATOM 383 CD GLU A 46 37.666 19.524 -0.968 1.00 15.92 C ATOM 384 OE1 GLU A 46 38.686 19.935 -0.422 1.00 17.15 O ATOM 385 OE2 GLU A 46 36.757 18.957 -0.328 1.00 16.27 O ATOM 386 HA GLU A 46 37.228 21.560 -4.593 1.00 0.00 H ATOM 387 HB2 GLU A 46 39.467 20.571 -2.784 1.00 0.00 H ATOM 388 HB3 GLU A 46 38.265 21.802 -2.331 1.00 0.00 H ATOM 389 HG2 GLU A 46 36.454 20.110 -2.634 1.00 0.00 H ATOM 390 HG3 GLU A 46 37.686 18.884 -3.012 1.00 0.00 H ATOM 391 H GLU A 46 39.531 19.683 -5.183 1.00 0.00 H ATOM 392 N TYR A 47 38.661 23.656 -4.575 1.00 12.79 N ATOM 393 CA TYR A 47 39.471 24.875 -4.755 1.00 12.39 C ATOM 394 C TYR A 47 39.554 25.638 -3.447 1.00 12.83 C ATOM 395 O TYR A 47 38.572 25.678 -2.692 1.00 12.27 O ATOM 396 CB TYR A 47 38.847 25.799 -5.830 1.00 13.37 C ATOM 397 CG TYR A 47 39.052 25.278 -7.251 1.00 13.16 C ATOM 398 CD1 TYR A 47 40.157 25.710 -8.020 1.00 13.84 C ATOM 399 CD2 TYR A 47 38.136 24.363 -7.824 1.00 15.27 C ATOM 400 CE1 TYR A 47 40.353 25.220 -9.343 1.00 14.07 C ATOM 401 CE2 TYR A 47 38.319 23.870 -9.136 1.00 14.31 C ATOM 402 CZ TYR A 47 39.399 24.335 -9.890 1.00 15.50 C ATOM 403 OH TYR A 47 39.608 23.880 -11.176 1.00 16.99 O ATOM 404 HA TYR A 47 40.467 24.572 -5.077 1.00 0.00 H ATOM 405 HB3 TYR A 47 39.306 26.785 -5.751 1.00 0.00 H ATOM 406 HB2 TYR A 47 37.777 25.881 -5.640 1.00 0.00 H ATOM 407 HD2 TYR A 47 37.275 24.033 -7.243 1.00 0.00 H ATOM 408 HE2 TYR A 47 37.628 23.138 -9.553 1.00 0.00 H ATOM 409 HE1 TYR A 47 41.225 25.523 -9.923 1.00 0.00 H ATOM 410 HD1 TYR A 47 40.864 26.423 -7.597 1.00 0.00 H ATOM 411 HH TYR A 47 39.739 22.899 -11.160 1.00 0.00 H ATOM 412 H TYR A 47 37.654 23.750 -4.333 1.00 0.00 H ATOM 413 N PHE A 48 40.723 26.242 -3.189 1.00 12.17 N ATOM 414 CA PHE A 48 40.964 26.999 -1.939 1.00 11.35 C ATOM 415 C PHE A 48 40.593 28.462 -2.219 1.00 11.59 C ATOM 416 O PHE A 48 41.139 29.065 -3.159 1.00 12.10 O ATOM 417 CB PHE A 48 42.450 26.889 -1.589 1.00 11.45 C ATOM 418 CG PHE A 48 42.830 27.449 -0.242 1.00 11.36 C ATOM 419 CD1 PHE A 48 42.097 27.128 0.914 1.00 11.72 C ATOM 420 CD2 PHE A 48 43.987 28.250 -0.128 1.00 12.82 C ATOM 421 CE1 PHE A 48 42.505 27.578 2.193 1.00 13.13 C ATOM 422 CE2 PHE A 48 44.424 28.709 1.125 1.00 12.07 C ATOM 423 CZ PHE A 48 43.673 28.421 2.290 1.00 13.32 C ATOM 424 HA PHE A 48 40.374 26.613 -1.108 1.00 0.00 H ATOM 425 HB2 PHE A 48 42.725 25.834 -1.607 1.00 0.00 H ATOM 426 HB3 PHE A 48 43.018 27.424 -2.350 1.00 0.00 H ATOM 427 HD2 PHE A 48 44.548 28.515 -1.024 1.00 0.00 H ATOM 428 HE2 PHE A 48 45.344 29.289 1.201 1.00 0.00 H ATOM 429 HZ PHE A 48 43.974 28.833 3.253 1.00 0.00 H ATOM 430 HE1 PHE A 48 41.949 27.294 3.086 1.00 0.00 H ATOM 431 HD1 PHE A 48 41.197 26.520 0.824 1.00 0.00 H ATOM 432 H PHE A 48 41.487 26.177 -3.891 1.00 0.00 H ATOM 433 N LEU A 49 39.632 28.991 -1.461 1.00 11.24 N ATOM 434 CA LEU A 49 39.020 30.291 -1.777 1.00 12.29 C ATOM 435 C LEU A 49 39.327 31.326 -0.703 1.00 12.93 C ATOM 436 O LEU A 49 39.297 31.016 0.488 1.00 12.87 O ATOM 437 CB LEU A 49 37.487 30.143 -1.863 1.00 12.73 C ATOM 438 CG LEU A 49 36.902 29.069 -2.818 1.00 11.78 C ATOM 439 CD1 LEU A 49 35.332 29.183 -2.817 1.00 13.53 C ATOM 440 CD2 LEU A 49 37.511 29.244 -4.190 1.00 11.23 C ATOM 441 HA LEU A 49 39.435 30.621 -2.729 1.00 0.00 H ATOM 442 HB2 LEU A 49 37.128 29.912 -0.860 1.00 0.00 H ATOM 443 HB3 LEU A 49 37.087 31.107 -2.178 1.00 0.00 H ATOM 444 HG LEU A 49 37.151 28.062 -2.484 1.00 0.00 H ATOM 445 HD21 LEU A 49 37.274 30.239 -4.567 1.00 0.00 H ATOM 446 HD22 LEU A 49 38.593 29.127 -4.124 1.00 0.00 H ATOM 447 HD23 LEU A 49 37.104 28.492 -4.866 1.00 0.00 H ATOM 448 HD11 LEU A 49 34.958 29.020 -1.806 1.00 0.00 H ATOM 449 HD12 LEU A 49 35.041 30.177 -3.158 1.00 0.00 H ATOM 450 HD13 LEU A 49 34.914 28.431 -3.486 1.00 0.00 H ATOM 451 H LEU A 49 39.306 28.470 -0.622 1.00 0.00 H ATOM 452 N LYS A 50 39.590 32.540 -1.157 1.00 11.47 N ATOM 453 CA LYS A 50 39.553 33.728 -0.288 1.00 14.02 C ATOM 454 C LYS A 50 38.193 34.376 -0.498 1.00 13.73 C ATOM 455 O LYS A 50 37.823 34.651 -1.625 1.00 13.62 O ATOM 456 CB LYS A 50 40.657 34.678 -0.739 1.00 14.48 C ATOM 457 CG LYS A 50 40.572 36.125 -0.225 1.00 18.65 C ATOM 458 CD LYS A 50 40.967 36.219 1.189 1.00 21.16 C ATOM 459 CE LYS A 50 41.345 37.703 1.510 1.00 20.96 C ATOM 460 NZ LYS A 50 40.024 38.457 1.509 1.00 23.36 N ATOM 461 HA LYS A 50 39.702 33.479 0.763 1.00 0.00 H ATOM 462 HB2 LYS A 50 41.608 34.263 -0.405 1.00 0.00 H ATOM 463 HB3 LYS A 50 40.640 34.712 -1.828 1.00 0.00 H ATOM 464 HG2 LYS A 50 41.235 36.752 -0.821 1.00 0.00 H ATOM 465 HG3 LYS A 50 39.547 36.479 -0.331 1.00 0.00 H ATOM 466 HD2 LYS A 50 40.137 35.907 1.823 1.00 0.00 H ATOM 467 HD3 LYS A 50 41.826 35.574 1.373 1.00 0.00 H ATOM 468 HE2 LYS A 50 42.014 38.101 0.747 1.00 0.00 H ATOM 469 HE3 LYS A 50 41.826 37.773 2.486 1.00 0.00 H ATOM 470 HZ1 LYS A 50 39.576 38.369 0.574 1.00 0.00 H ATOM 471 HZ2 LYS A 50 39.396 38.055 2.235 1.00 0.00 H ATOM 472 HZ3 LYS A 50 40.199 39.461 1.717 1.00 0.00 H ATOM 473 H LYS A 50 39.831 32.660 -2.162 1.00 0.00 H ATOM 474 N TRP A 51 37.457 34.606 0.583 1.00 13.92 N ATOM 475 CA TRP A 51 36.109 35.152 0.474 1.00 13.85 C ATOM 476 C TRP A 51 36.150 36.667 0.621 1.00 14.50 C ATOM 477 O TRP A 51 36.872 37.204 1.489 1.00 15.32 O ATOM 478 CB TRP A 51 35.236 34.563 1.581 1.00 14.18 C ATOM 479 CG TRP A 51 35.123 33.047 1.542 1.00 14.56 C ATOM 480 CD1 TRP A 51 35.872 32.157 2.248 1.00 15.05 C ATOM 481 CD2 TRP A 51 34.170 32.291 0.797 1.00 15.18 C ATOM 482 NE1 TRP A 51 35.465 30.853 1.985 1.00 14.59 N ATOM 483 CE2 TRP A 51 34.413 30.907 1.098 1.00 14.19 C ATOM 484 CE3 TRP A 51 33.155 32.630 -0.117 1.00 14.64 C ATOM 485 CZ2 TRP A 51 33.656 29.873 0.541 1.00 12.93 C ATOM 486 CZ3 TRP A 51 32.359 31.584 -0.664 1.00 15.66 C ATOM 487 CH2 TRP A 51 32.633 30.213 -0.333 1.00 15.67 C ATOM 488 HA TRP A 51 35.695 34.896 -0.501 1.00 0.00 H ATOM 489 HB2 TRP A 51 35.662 34.850 2.542 1.00 0.00 H ATOM 490 HB3 TRP A 51 34.235 34.984 1.488 1.00 0.00 H ATOM 491 HE1 TRP A 51 35.882 29.989 2.387 1.00 0.00 H ATOM 492 HD1 TRP A 51 36.680 32.429 2.927 1.00 0.00 H ATOM 493 HZ2 TRP A 51 33.863 28.831 0.786 1.00 0.00 H ATOM 494 HH2 TRP A 51 32.025 29.424 -0.777 1.00 0.00 H ATOM 495 HZ3 TRP A 51 31.537 31.825 -1.338 1.00 0.00 H ATOM 496 HE3 TRP A 51 32.982 33.669 -0.399 1.00 0.00 H ATOM 497 H TRP A 51 37.848 34.393 1.523 1.00 0.00 H ATOM 498 N LYS A 52 35.390 37.340 -0.232 1.00 13.52 N ATOM 499 CA LYS A 52 35.338 38.824 -0.196 1.00 14.64 C ATOM 500 C LYS A 52 34.834 39.313 1.156 1.00 15.03 C ATOM 501 O LYS A 52 33.849 38.776 1.707 1.00 15.03 O ATOM 502 CB LYS A 52 34.487 39.326 -1.349 1.00 16.12 C ATOM 503 CG LYS A 52 34.485 40.858 -1.485 1.00 19.53 C ATOM 504 CD LYS A 52 35.847 41.371 -1.910 1.00 24.72 C ATOM 505 CE LYS A 52 35.814 42.860 -2.363 1.00 27.95 C ATOM 506 NZ LYS A 52 37.096 43.131 -3.134 1.00 31.60 N ATOM 507 HA LYS A 52 36.342 39.231 -0.318 1.00 0.00 H ATOM 508 HB2 LYS A 52 34.871 38.897 -2.275 1.00 0.00 H ATOM 509 HB3 LYS A 52 33.461 38.991 -1.193 1.00 0.00 H ATOM 510 HG2 LYS A 52 33.746 41.148 -2.232 1.00 0.00 H ATOM 511 HG3 LYS A 52 34.222 41.300 -0.524 1.00 0.00 H ATOM 512 HD2 LYS A 52 36.533 41.277 -1.068 1.00 0.00 H ATOM 513 HD3 LYS A 52 36.206 40.762 -2.739 1.00 0.00 H ATOM 514 HE2 LYS A 52 35.758 43.513 -1.492 1.00 0.00 H ATOM 515 HE3 LYS A 52 34.950 43.035 -3.004 1.00 0.00 H ATOM 516 HZ1 LYS A 52 37.914 42.956 -2.516 1.00 0.00 H ATOM 517 HZ2 LYS A 52 37.143 42.500 -3.960 1.00 0.00 H ATOM 518 HZ3 LYS A 52 37.105 44.121 -3.452 1.00 0.00 H ATOM 519 H LYS A 52 34.824 36.823 -0.934 1.00 0.00 H ATOM 520 N GLY A 53 35.528 40.301 1.729 1.00 15.26 N ATOM 521 CA GLY A 53 35.115 40.826 3.034 1.00 16.48 C ATOM 522 C GLY A 53 35.686 40.084 4.234 1.00 17.00 C ATOM 523 O GLY A 53 35.521 40.526 5.393 1.00 16.47 O ATOM 524 HA3 GLY A 53 34.028 40.776 3.091 1.00 0.00 H ATOM 525 HA2 GLY A 53 35.433 41.867 3.097 1.00 0.00 H ATOM 526 H GLY A 53 36.361 40.697 1.249 1.00 0.00 H ATOM 527 N PHE A 54 36.334 38.941 3.980 1.00 15.91 N ATOM 528 CA PHE A 54 36.873 38.140 5.075 1.00 16.55 C ATOM 529 C PHE A 54 38.390 38.158 4.995 1.00 17.48 C ATOM 530 O PHE A 54 38.946 38.463 3.944 1.00 20.33 O ATOM 531 CB PHE A 54 36.383 36.661 5.036 1.00 16.19 C ATOM 532 CG PHE A 54 34.913 36.506 5.390 1.00 18.32 C ATOM 533 CD1 PHE A 54 34.516 36.378 6.730 1.00 20.44 C ATOM 534 CD2 PHE A 54 33.953 36.507 4.386 1.00 19.18 C ATOM 535 CE1 PHE A 54 33.133 36.274 7.067 1.00 20.56 C ATOM 536 CE2 PHE A 54 32.580 36.369 4.703 1.00 19.91 C ATOM 537 CZ PHE A 54 32.192 36.268 6.060 1.00 18.69 C ATOM 538 HA PHE A 54 36.518 38.578 6.008 1.00 0.00 H ATOM 539 HB2 PHE A 54 36.540 36.270 4.031 1.00 0.00 H ATOM 540 HB3 PHE A 54 36.973 36.082 5.746 1.00 0.00 H ATOM 541 HD2 PHE A 54 34.259 36.615 3.345 1.00 0.00 H ATOM 542 HE2 PHE A 54 31.831 36.341 3.911 1.00 0.00 H ATOM 543 HZ PHE A 54 31.135 36.184 6.312 1.00 0.00 H ATOM 544 HE1 PHE A 54 32.824 36.200 8.110 1.00 0.00 H ATOM 545 HD1 PHE A 54 35.269 36.358 7.518 1.00 0.00 H ATOM 546 H PHE A 54 36.454 38.622 2.998 1.00 0.00 H ATOM 547 N THR A 55 39.051 37.832 6.101 1.00 16.61 N ATOM 548 CA THR A 55 40.512 37.726 6.098 1.00 16.87 C ATOM 549 C THR A 55 40.911 36.330 5.592 1.00 15.98 C ATOM 550 O THR A 55 40.052 35.441 5.440 1.00 14.31 O ATOM 551 CB THR A 55 41.110 37.931 7.514 1.00 17.30 C ATOM 552 OG1 THR A 55 40.776 36.822 8.356 1.00 18.84 O ATOM 553 CG2 THR A 55 40.561 39.290 8.108 1.00 19.64 C ATOM 554 HA THR A 55 40.903 38.508 5.447 1.00 0.00 H ATOM 555 HB THR A 55 42.197 37.984 7.457 1.00 0.00 H ATOM 556 HG1 THR A 55 39.791 36.748 8.427 1.00 0.00 H ATOM 557 HG23 THR A 55 40.832 40.111 7.444 1.00 0.00 H ATOM 558 HG21 THR A 55 39.476 39.235 8.195 1.00 0.00 H ATOM 559 HG22 THR A 55 40.998 39.458 9.092 1.00 0.00 H ATOM 560 H THR A 55 38.525 37.650 6.979 1.00 0.00 H ATOM 561 N ASP A 56 42.207 36.166 5.325 1.00 16.18 N ATOM 562 CA ASP A 56 42.775 34.849 4.933 1.00 16.13 C ATOM 563 C ASP A 56 42.456 33.731 5.923 1.00 15.72 C ATOM 564 O ASP A 56 42.338 32.539 5.560 1.00 14.14 O ATOM 565 CB ASP A 56 44.295 34.996 4.851 1.00 16.53 C ATOM 566 CG ASP A 56 44.734 35.727 3.587 1.00 22.77 C ATOM 567 OD1 ASP A 56 44.219 35.377 2.498 1.00 27.95 O ATOM 568 OD2 ASP A 56 45.594 36.627 3.707 1.00 23.03 O ATOM 569 HA ASP A 56 42.327 34.571 3.979 1.00 0.00 H ATOM 570 HB2 ASP A 56 44.641 35.556 5.719 1.00 0.00 H ATOM 571 HB3 ASP A 56 44.745 34.003 4.857 1.00 0.00 H ATOM 572 H ASP A 56 42.842 36.987 5.393 1.00 0.00 H ATOM 573 N ALA A 57 42.283 34.107 7.192 1.00 15.83 N ATOM 574 CA ALA A 57 41.974 33.108 8.215 1.00 16.43 C ATOM 575 C ALA A 57 40.678 32.370 7.890 1.00 16.17 C ATOM 576 O ALA A 57 40.494 31.222 8.340 1.00 17.11 O ATOM 577 CB ALA A 57 41.861 33.771 9.622 1.00 17.53 C ATOM 578 HA ALA A 57 42.793 32.388 8.227 1.00 0.00 H ATOM 579 HB1 ALA A 57 42.807 34.251 9.873 1.00 0.00 H ATOM 580 HB2 ALA A 57 41.066 34.517 9.608 1.00 0.00 H ATOM 581 HB3 ALA A 57 41.631 33.007 10.365 1.00 0.00 H ATOM 582 H ALA A 57 42.368 35.110 7.453 1.00 0.00 H ATOM 583 N ASP A 58 39.780 33.023 7.139 1.00 15.04 N ATOM 584 CA ASP A 58 38.498 32.408 6.772 1.00 15.27 C ATOM 585 C ASP A 58 38.496 31.671 5.447 1.00 13.83 C ATOM 586 O ASP A 58 37.443 31.237 4.981 1.00 13.33 O ATOM 587 CB ASP A 58 37.341 33.413 6.840 1.00 16.24 C ATOM 588 CG ASP A 58 36.910 33.674 8.284 1.00 22.68 C ATOM 589 OD1 ASP A 58 36.573 32.707 9.007 1.00 30.04 O ATOM 590 OD2 ASP A 58 36.980 34.832 8.692 1.00 28.35 O ATOM 591 HA ASP A 58 38.344 31.640 7.530 1.00 0.00 H ATOM 592 HB2 ASP A 58 37.661 34.353 6.390 1.00 0.00 H ATOM 593 HB3 ASP A 58 36.493 33.015 6.283 1.00 0.00 H ATOM 594 H ASP A 58 39.996 33.985 6.809 1.00 0.00 H ATOM 595 N ASN A 59 39.680 31.498 4.865 1.00 11.96 N ATOM 596 CA ASN A 59 39.761 30.825 3.583 1.00 13.51 C ATOM 597 C ASN A 59 39.275 29.391 3.777 1.00 12.42 C ATOM 598 O ASN A 59 39.518 28.797 4.832 1.00 12.46 O ATOM 599 CB ASN A 59 41.206 30.812 3.070 1.00 12.22 C ATOM 600 CG ASN A 59 41.675 32.205 2.586 1.00 14.29 C ATOM 601 OD1 ASN A 59 40.904 33.148 2.560 1.00 12.81 O ATOM 602 ND2 ASN A 59 42.986 32.332 2.245 1.00 14.24 N ATOM 603 HA ASN A 59 39.146 31.349 2.851 1.00 0.00 H ATOM 604 HB2 ASN A 59 41.861 30.483 3.877 1.00 0.00 H ATOM 605 HB3 ASN A 59 41.276 30.111 2.238 1.00 0.00 H ATOM 606 HD22 ASN A 59 43.615 31.504 2.279 1.00 0.00 H ATOM 607 HD21 ASN A 59 43.359 33.257 1.950 1.00 0.00 H ATOM 608 H ASN A 59 40.544 31.844 5.328 1.00 0.00 H ATOM 609 N THR A 60 38.566 28.869 2.780 1.00 11.65 N ATOM 610 CA THR A 60 38.157 27.447 2.839 1.00 12.03 C ATOM 611 C THR A 60 38.336 26.706 1.534 1.00 10.81 C ATOM 612 O THR A 60 38.397 27.326 0.472 1.00 12.70 O ATOM 613 CB THR A 60 36.691 27.328 3.217 1.00 11.59 C ATOM 614 OG1 THR A 60 35.868 28.053 2.284 1.00 13.05 O ATOM 615 CG2 THR A 60 36.443 27.827 4.679 1.00 14.74 C ATOM 616 HA THR A 60 38.810 26.999 3.588 1.00 0.00 H ATOM 617 HB THR A 60 36.416 26.274 3.173 1.00 0.00 H ATOM 618 HG1 THR A 60 34.917 27.964 2.546 1.00 0.00 H ATOM 619 HG23 THR A 60 37.076 27.265 5.366 1.00 0.00 H ATOM 620 HG21 THR A 60 36.685 28.888 4.746 1.00 0.00 H ATOM 621 HG22 THR A 60 35.396 27.675 4.941 1.00 0.00 H ATOM 622 H THR A 60 38.300 29.456 1.964 1.00 0.00 H ATOM 623 N TRP A 61 38.400 25.385 1.634 1.00 12.28 N ATOM 624 CA TRP A 61 38.381 24.534 0.458 1.00 12.05 C ATOM 625 C TRP A 61 36.944 24.166 0.168 1.00 13.10 C ATOM 626 O TRP A 61 36.216 23.761 1.092 1.00 15.20 O ATOM 627 CB TRP A 61 39.179 23.273 0.738 1.00 12.15 C ATOM 628 CG TRP A 61 40.645 23.543 0.877 1.00 10.77 C ATOM 629 CD1 TRP A 61 41.334 23.820 2.045 1.00 12.63 C ATOM 630 CD2 TRP A 61 41.620 23.495 -0.166 1.00 13.69 C ATOM 631 NE1 TRP A 61 42.686 23.959 1.776 1.00 13.49 N ATOM 632 CE2 TRP A 61 42.898 23.751 0.438 1.00 13.57 C ATOM 633 CE3 TRP A 61 41.557 23.254 -1.551 1.00 12.54 C ATOM 634 CZ2 TRP A 61 44.092 23.807 -0.312 1.00 11.84 C ATOM 635 CZ3 TRP A 61 42.758 23.309 -2.311 1.00 13.98 C ATOM 636 CH2 TRP A 61 44.005 23.570 -1.678 1.00 11.17 C ATOM 637 HA TRP A 61 38.819 25.052 -0.395 1.00 0.00 H ATOM 638 HB2 TRP A 61 38.816 22.827 1.664 1.00 0.00 H ATOM 639 HB3 TRP A 61 39.028 22.573 -0.084 1.00 0.00 H ATOM 640 HE1 TRP A 61 43.421 24.185 2.476 1.00 0.00 H ATOM 641 HD1 TRP A 61 40.880 23.915 3.031 1.00 0.00 H ATOM 642 HZ2 TRP A 61 45.048 24.028 0.163 1.00 0.00 H ATOM 643 HH2 TRP A 61 44.914 23.584 -2.279 1.00 0.00 H ATOM 644 HZ3 TRP A 61 42.723 23.150 -3.389 1.00 0.00 H ATOM 645 HE3 TRP A 61 40.605 23.029 -2.033 1.00 0.00 H ATOM 646 H TRP A 61 38.465 24.949 2.576 1.00 0.00 H ATOM 647 N GLU A 62 36.554 24.291 -1.096 1.00 12.87 N ATOM 648 CA GLU A 62 35.169 24.010 -1.503 1.00 13.63 C ATOM 649 C GLU A 62 35.164 23.113 -2.735 1.00 14.37 C ATOM 650 O GLU A 62 35.939 23.336 -3.659 1.00 14.70 O ATOM 651 CB GLU A 62 34.453 25.339 -1.848 1.00 12.68 C ATOM 652 CG GLU A 62 34.341 26.328 -0.635 1.00 15.12 C ATOM 653 CD GLU A 62 33.597 25.794 0.598 1.00 16.25 C ATOM 654 OE1 GLU A 62 32.839 24.784 0.540 1.00 14.47 O ATOM 655 OE2 GLU A 62 33.785 26.410 1.666 1.00 15.76 O ATOM 656 HA GLU A 62 34.652 23.510 -0.684 1.00 0.00 H ATOM 657 HB2 GLU A 62 35.009 25.833 -2.645 1.00 0.00 H ATOM 658 HB3 GLU A 62 33.447 25.108 -2.198 1.00 0.00 H ATOM 659 HG2 GLU A 62 35.352 26.594 -0.326 1.00 0.00 H ATOM 660 HG3 GLU A 62 33.820 27.222 -0.979 1.00 0.00 H ATOM 661 H GLU A 62 37.243 24.594 -1.813 1.00 0.00 H ATOM 662 N PRO A 63 34.228 22.144 -2.782 1.00 15.34 N ATOM 663 CA PRO A 63 34.165 21.286 -3.955 1.00 16.08 C ATOM 664 C PRO A 63 33.614 22.020 -5.173 1.00 17.15 C ATOM 665 O PRO A 63 32.840 22.983 -5.042 1.00 15.24 O ATOM 666 CB PRO A 63 33.246 20.151 -3.506 1.00 16.82 C ATOM 667 CG PRO A 63 32.308 20.791 -2.512 1.00 16.99 C ATOM 668 CD PRO A 63 33.190 21.809 -1.782 1.00 15.82 C ATOM 669 HA PRO A 63 35.146 20.936 -4.277 1.00 0.00 H ATOM 670 HD3 PRO A 63 32.617 22.693 -1.503 1.00 0.00 H ATOM 671 HD2 PRO A 63 33.635 21.370 -0.889 1.00 0.00 H ATOM 672 HG3 PRO A 63 31.913 20.050 -1.817 1.00 0.00 H ATOM 673 HG2 PRO A 63 31.481 21.287 -3.021 1.00 0.00 H ATOM 674 HB2 PRO A 63 32.692 19.746 -4.353 1.00 0.00 H ATOM 675 HB3 PRO A 63 33.821 19.354 -3.035 1.00 0.00 H ATOM 676 N GLU A 64 34.052 21.586 -6.357 1.00 17.80 N ATOM 677 CA GLU A 64 33.566 22.127 -7.639 1.00 20.72 C ATOM 678 C GLU A 64 32.072 22.439 -7.685 1.00 20.49 C ATOM 679 O GLU A 64 31.655 23.498 -8.201 1.00 21.19 O ATOM 680 CB GLU A 64 33.812 21.119 -8.779 1.00 20.44 C ATOM 681 CG GLU A 64 35.224 20.972 -9.178 1.00 24.02 C ATOM 682 CD GLU A 64 35.420 20.042 -10.377 1.00 23.71 C ATOM 683 OE1 GLU A 64 34.526 19.198 -10.656 1.00 22.88 O ATOM 684 OE2 GLU A 64 36.465 20.179 -11.054 1.00 29.38 O ATOM 685 HA GLU A 64 34.123 23.057 -7.753 1.00 0.00 H ATOM 686 HB2 GLU A 64 33.447 20.144 -8.455 1.00 0.00 H ATOM 687 HB3 GLU A 64 33.245 21.447 -9.650 1.00 0.00 H ATOM 688 HG2 GLU A 64 35.615 21.956 -9.435 1.00 0.00 H ATOM 689 HG3 GLU A 64 35.783 20.570 -8.333 1.00 0.00 H ATOM 690 H GLU A 64 34.768 20.832 -6.376 1.00 0.00 H ATOM 691 N GLU A 65 31.265 21.498 -7.203 1.00 21.13 N ATOM 692 CA GLU A 65 29.782 21.639 -7.233 1.00 21.91 C ATOM 693 C GLU A 65 29.286 22.868 -6.446 1.00 21.82 C ATOM 694 O GLU A 65 28.146 23.327 -6.661 1.00 22.01 O ATOM 695 CB GLU A 65 29.102 20.386 -6.678 1.00 22.86 C ATOM 696 CG GLU A 65 29.724 19.871 -5.363 1.00 28.76 C ATOM 697 CD GLU A 65 30.927 18.809 -5.464 1.00 34.54 C ATOM 698 OE1 GLU A 65 31.819 18.691 -6.439 1.00 28.36 O ATOM 699 OE2 GLU A 65 30.962 18.061 -4.441 1.00 39.16 O ATOM 700 HA GLU A 65 29.513 21.775 -8.281 1.00 0.00 H ATOM 701 HB2 GLU A 65 28.052 20.617 -6.495 1.00 0.00 H ATOM 702 HB3 GLU A 65 29.174 19.596 -7.425 1.00 0.00 H ATOM 703 HG2 GLU A 65 30.101 20.738 -4.821 1.00 0.00 H ATOM 704 HG3 GLU A 65 28.925 19.403 -4.787 1.00 0.00 H ATOM 705 H GLU A 65 31.682 20.638 -6.793 1.00 0.00 H ATOM 706 N ASN A 66 30.120 23.379 -5.532 1.00 19.32 N ATOM 707 CA ASN A 66 29.754 24.567 -4.709 1.00 18.82 C ATOM 708 C ASN A 66 30.053 25.872 -5.424 1.00 18.77 C ATOM 709 O ASN A 66 29.634 26.962 -4.970 1.00 18.06 O ATOM 710 CB ASN A 66 30.488 24.547 -3.349 1.00 17.99 C ATOM 711 CG ASN A 66 29.829 23.665 -2.294 1.00 20.94 C ATOM 712 OD1 ASN A 66 28.959 22.828 -2.582 1.00 21.32 O ATOM 713 ND2 ASN A 66 30.264 23.837 -1.044 1.00 21.49 N ATOM 714 HA ASN A 66 28.679 24.508 -4.541 1.00 0.00 H ATOM 715 HB2 ASN A 66 31.502 24.183 -3.513 1.00 0.00 H ATOM 716 HB3 ASN A 66 30.526 25.567 -2.966 1.00 0.00 H ATOM 717 HD22 ASN A 66 30.995 24.549 -0.841 1.00 0.00 H ATOM 718 HD21 ASN A 66 29.872 23.259 -0.273 1.00 0.00 H ATOM 719 H ASN A 66 31.050 22.935 -5.392 1.00 0.00 H ATOM 720 N LEU A 67 30.817 25.801 -6.514 1.00 18.10 N ATOM 721 CA LEU A 67 31.402 26.990 -7.129 1.00 17.69 C ATOM 722 C LEU A 67 30.617 27.599 -8.281 1.00 18.47 C ATOM 723 O LEU A 67 30.111 26.872 -9.153 1.00 18.91 O ATOM 724 CB LEU A 67 32.827 26.693 -7.654 1.00 18.23 C ATOM 725 CG LEU A 67 33.742 25.931 -6.683 1.00 18.71 C ATOM 726 CD1 LEU A 67 35.083 25.687 -7.376 1.00 24.63 C ATOM 727 CD2 LEU A 67 33.956 26.747 -5.401 1.00 19.11 C ATOM 728 HA LEU A 67 31.397 27.717 -6.317 1.00 0.00 H ATOM 729 HB2 LEU A 67 32.734 26.100 -8.564 1.00 0.00 H ATOM 730 HB3 LEU A 67 33.304 27.644 -7.889 1.00 0.00 H ATOM 731 HG LEU A 67 33.282 24.982 -6.410 1.00 0.00 H ATOM 732 HD21 LEU A 67 34.419 27.701 -5.652 1.00 0.00 H ATOM 733 HD22 LEU A 67 32.994 26.924 -4.920 1.00 0.00 H ATOM 734 HD23 LEU A 67 34.606 26.193 -4.724 1.00 0.00 H ATOM 735 HD11 LEU A 67 34.922 25.097 -8.279 1.00 0.00 H ATOM 736 HD12 LEU A 67 35.533 26.644 -7.641 1.00 0.00 H ATOM 737 HD13 LEU A 67 35.746 25.146 -6.701 1.00 0.00 H ATOM 738 H LEU A 67 31.002 24.870 -6.940 1.00 0.00 H ATOM 739 N ASP A 68 30.591 28.934 -8.315 1.00 16.96 N ATOM 740 CA ASP A 68 30.139 29.653 -9.487 1.00 17.50 C ATOM 741 C ASP A 68 31.054 30.861 -9.712 1.00 17.61 C ATOM 742 O ASP A 68 30.636 32.032 -9.706 1.00 17.18 O ATOM 743 CB ASP A 68 28.644 29.993 -9.370 1.00 17.95 C ATOM 744 CG ASP A 68 28.104 30.691 -10.630 1.00 21.04 C ATOM 745 OD1 ASP A 68 28.742 30.623 -11.725 1.00 20.95 O ATOM 746 OD2 ASP A 68 27.060 31.375 -10.500 1.00 25.16 O ATOM 747 HA ASP A 68 30.215 29.033 -10.380 1.00 0.00 H ATOM 748 HB2 ASP A 68 28.085 29.070 -9.213 1.00 0.00 H ATOM 749 HB3 ASP A 68 28.500 30.653 -8.514 1.00 0.00 H ATOM 750 H ASP A 68 30.903 29.469 -7.480 1.00 0.00 H ATOM 751 N CYS A 69 32.331 30.556 -9.912 1.00 17.82 N ATOM 752 CA CYS A 69 33.341 31.603 -10.124 1.00 17.78 C ATOM 753 C CYS A 69 34.290 31.194 -11.244 1.00 18.13 C ATOM 754 O CYS A 69 35.531 31.157 -11.056 1.00 15.06 O ATOM 755 CB CYS A 69 34.095 31.949 -8.822 1.00 19.32 C ATOM 756 SG CYS A 69 34.692 30.530 -7.905 1.00 18.62 S ATOM 757 HA CYS A 69 32.829 32.516 -10.429 1.00 0.00 H ATOM 758 HB2 CYS A 69 33.420 32.511 -8.177 1.00 0.00 H ATOM 759 HB3 CYS A 69 34.951 32.572 -9.080 1.00 0.00 H ATOM 760 HG CYS A 69 35.345 30.961 -6.768 1.00 0.00 H ATOM 761 H CYS A 69 32.622 29.558 -9.919 1.00 0.00 H ATOM 762 N PRO A 70 33.719 30.963 -12.437 1.00 18.85 N ATOM 763 CA PRO A 70 34.541 30.410 -13.530 1.00 19.18 C ATOM 764 C PRO A 70 35.636 31.355 -14.007 1.00 17.92 C ATOM 765 O PRO A 70 36.732 30.884 -14.380 1.00 19.19 O ATOM 766 CB PRO A 70 33.502 30.105 -14.638 1.00 19.88 C ATOM 767 CG PRO A 70 32.374 31.122 -14.362 1.00 20.70 C ATOM 768 CD PRO A 70 32.302 31.151 -12.843 1.00 19.40 C ATOM 769 HA PRO A 70 35.102 29.530 -13.213 1.00 0.00 H ATOM 770 HD3 PRO A 70 31.916 32.106 -12.487 1.00 0.00 H ATOM 771 HD2 PRO A 70 31.675 30.343 -12.465 1.00 0.00 H ATOM 772 HG3 PRO A 70 31.430 30.787 -14.793 1.00 0.00 H ATOM 773 HG2 PRO A 70 32.626 32.104 -14.761 1.00 0.00 H ATOM 774 HB2 PRO A 70 33.931 30.258 -15.628 1.00 0.00 H ATOM 775 HB3 PRO A 70 33.134 29.082 -14.557 1.00 0.00 H ATOM 776 N GLU A 71 35.407 32.675 -13.963 1.00 18.46 N ATOM 777 CA GLU A 71 36.476 33.599 -14.361 1.00 20.48 C ATOM 778 C GLU A 71 37.660 33.564 -13.380 1.00 18.73 C ATOM 779 O GLU A 71 38.823 33.626 -13.788 1.00 16.64 O ATOM 780 CB GLU A 71 35.959 35.032 -14.553 1.00 20.69 C ATOM 781 CG GLU A 71 34.868 35.200 -15.640 1.00 26.64 C ATOM 782 CD GLU A 71 34.699 36.672 -16.055 1.00 27.78 C ATOM 783 OE1 GLU A 71 34.247 37.497 -15.209 1.00 37.18 O ATOM 784 OE2 GLU A 71 35.030 37.009 -17.220 1.00 38.97 O ATOM 785 HA GLU A 71 36.840 33.252 -15.328 1.00 0.00 H ATOM 786 HB2 GLU A 71 35.545 35.371 -13.604 1.00 0.00 H ATOM 787 HB3 GLU A 71 36.806 35.663 -14.824 1.00 0.00 H ATOM 788 HG2 GLU A 71 35.149 34.616 -16.516 1.00 0.00 H ATOM 789 HG3 GLU A 71 33.920 34.832 -15.249 1.00 0.00 H ATOM 790 H GLU A 71 34.484 33.040 -13.651 1.00 0.00 H ATOM 791 N LEU A 72 37.370 33.426 -12.086 1.00 17.18 N ATOM 792 CA LEU A 72 38.446 33.349 -11.116 1.00 16.63 C ATOM 793 C LEU A 72 39.224 32.027 -11.228 1.00 15.51 C ATOM 794 O LEU A 72 40.473 32.019 -11.089 1.00 15.57 O ATOM 795 CB LEU A 72 37.901 33.499 -9.699 1.00 16.29 C ATOM 796 CG LEU A 72 37.276 34.841 -9.308 1.00 16.44 C ATOM 797 CD1 LEU A 72 36.908 34.732 -7.784 1.00 18.87 C ATOM 798 CD2 LEU A 72 38.307 35.957 -9.505 1.00 18.53 C ATOM 799 HA LEU A 72 39.132 34.168 -11.333 1.00 0.00 H ATOM 800 HB2 LEU A 72 37.137 32.733 -9.562 1.00 0.00 H ATOM 801 HB3 LEU A 72 38.727 33.313 -9.012 1.00 0.00 H ATOM 802 HG LEU A 72 36.399 35.066 -9.915 1.00 0.00 H ATOM 803 HD21 LEU A 72 39.176 35.762 -8.877 1.00 0.00 H ATOM 804 HD22 LEU A 72 38.612 35.987 -10.551 1.00 0.00 H ATOM 805 HD23 LEU A 72 37.863 36.913 -9.227 1.00 0.00 H ATOM 806 HD11 LEU A 72 36.201 33.915 -7.640 1.00 0.00 H ATOM 807 HD12 LEU A 72 37.812 34.539 -7.206 1.00 0.00 H ATOM 808 HD13 LEU A 72 36.457 35.667 -7.453 1.00 0.00 H ATOM 809 H LEU A 72 36.379 33.374 -11.774 1.00 0.00 H ATOM 810 N ILE A 73 38.485 30.952 -11.494 1.00 15.84 N ATOM 811 CA ILE A 73 39.118 29.611 -11.679 1.00 16.25 C ATOM 812 C ILE A 73 40.028 29.660 -12.914 1.00 17.48 C ATOM 813 O ILE A 73 41.200 29.257 -12.851 1.00 15.36 O ATOM 814 CB ILE A 73 38.090 28.495 -11.785 1.00 16.58 C ATOM 815 CG1 ILE A 73 37.450 28.237 -10.403 1.00 16.22 C ATOM 816 CG2 ILE A 73 38.762 27.165 -12.327 1.00 16.34 C ATOM 817 CD1 ILE A 73 36.207 27.380 -10.411 1.00 21.53 C ATOM 818 HA ILE A 73 39.714 29.381 -10.796 1.00 0.00 H ATOM 819 HB ILE A 73 37.316 28.802 -12.488 1.00 0.00 H ATOM 820 HG12 ILE A 73 38.193 27.745 -9.775 1.00 0.00 H ATOM 821 HG13 ILE A 73 37.190 29.202 -9.968 1.00 0.00 H ATOM 822 HD11 ILE A 73 35.441 27.859 -11.020 1.00 0.00 H ATOM 823 HD12 ILE A 73 36.445 26.401 -10.828 1.00 0.00 H ATOM 824 HD13 ILE A 73 35.841 27.263 -9.391 1.00 0.00 H ATOM 825 HG21 ILE A 73 39.186 27.350 -13.314 1.00 0.00 H ATOM 826 HG22 ILE A 73 39.552 26.854 -11.643 1.00 0.00 H ATOM 827 HG23 ILE A 73 38.009 26.380 -12.395 1.00 0.00 H ATOM 828 H ILE A 73 37.452 31.047 -11.574 1.00 0.00 H ATOM 829 N GLU A 74 39.504 30.184 -14.019 1.00 17.95 N ATOM 830 CA GLU A 74 40.314 30.341 -15.235 1.00 20.55 C ATOM 831 C GLU A 74 41.610 31.152 -15.031 1.00 20.28 C ATOM 832 O GLU A 74 42.703 30.725 -15.488 1.00 19.12 O ATOM 833 CB GLU A 74 39.459 30.958 -16.346 1.00 20.98 C ATOM 834 CG GLU A 74 40.156 31.088 -17.690 1.00 25.08 C ATOM 835 CD GLU A 74 39.340 31.936 -18.695 1.00 27.07 C ATOM 836 OE1 GLU A 74 38.548 32.836 -18.287 1.00 34.58 O ATOM 837 OE2 GLU A 74 39.522 31.703 -19.908 1.00 36.36 O ATOM 838 HA GLU A 74 40.641 29.341 -15.520 1.00 0.00 H ATOM 839 HB2 GLU A 74 38.576 30.333 -16.481 1.00 0.00 H ATOM 840 HB3 GLU A 74 39.153 31.954 -16.025 1.00 0.00 H ATOM 841 HG2 GLU A 74 41.126 31.561 -17.538 1.00 0.00 H ATOM 842 HG3 GLU A 74 40.301 30.092 -18.108 1.00 0.00 H ATOM 843 H GLU A 74 38.509 30.486 -14.022 1.00 0.00 H ATOM 844 N ALA A 75 41.482 32.299 -14.360 1.00 18.37 N ATOM 845 CA ALA A 75 42.596 33.176 -14.058 1.00 19.04 C ATOM 846 C ALA A 75 43.632 32.438 -13.204 1.00 18.08 C ATOM 847 O ALA A 75 44.833 32.567 -13.445 1.00 17.32 O ATOM 848 CB ALA A 75 42.109 34.433 -13.323 1.00 19.26 C ATOM 849 HA ALA A 75 43.060 33.480 -14.996 1.00 0.00 H ATOM 850 HB1 ALA A 75 41.398 34.968 -13.953 1.00 0.00 H ATOM 851 HB2 ALA A 75 41.624 34.142 -12.391 1.00 0.00 H ATOM 852 HB3 ALA A 75 42.960 35.078 -13.106 1.00 0.00 H ATOM 853 H ALA A 75 40.534 32.578 -14.037 1.00 0.00 H ATOM 854 N PHE A 76 43.151 31.679 -12.210 1.00 17.01 N ATOM 855 CA PHE A 76 44.058 30.928 -11.339 1.00 16.22 C ATOM 856 C PHE A 76 44.845 29.888 -12.165 1.00 16.00 C ATOM 857 O PHE A 76 46.090 29.844 -12.086 1.00 16.63 O ATOM 858 CB PHE A 76 43.309 30.216 -10.198 1.00 15.24 C ATOM 859 CG PHE A 76 44.181 29.206 -9.515 1.00 15.18 C ATOM 860 CD1 PHE A 76 45.306 29.631 -8.795 1.00 14.88 C ATOM 861 CD2 PHE A 76 43.951 27.848 -9.706 1.00 14.47 C ATOM 862 CE1 PHE A 76 46.195 28.702 -8.207 1.00 13.77 C ATOM 863 CE2 PHE A 76 44.851 26.884 -9.121 1.00 15.01 C ATOM 864 CZ PHE A 76 45.955 27.339 -8.384 1.00 15.56 C ATOM 865 HA PHE A 76 44.745 31.646 -10.891 1.00 0.00 H ATOM 866 HB2 PHE A 76 42.987 30.958 -9.468 1.00 0.00 H ATOM 867 HB3 PHE A 76 42.435 29.710 -10.609 1.00 0.00 H ATOM 868 HD2 PHE A 76 43.096 27.514 -10.294 1.00 0.00 H ATOM 869 HE2 PHE A 76 44.676 25.816 -9.250 1.00 0.00 H ATOM 870 HZ PHE A 76 46.638 26.614 -7.941 1.00 0.00 H ATOM 871 HE1 PHE A 76 47.052 29.044 -7.626 1.00 0.00 H ATOM 872 HD1 PHE A 76 45.499 30.698 -8.686 1.00 0.00 H ATOM 873 H PHE A 76 42.124 31.623 -12.056 1.00 0.00 H ATOM 874 N LEU A 77 44.128 29.089 -12.954 1.00 15.43 N ATOM 875 CA LEU A 77 44.797 28.012 -13.745 1.00 17.59 C ATOM 876 C LEU A 77 45.778 28.624 -14.776 1.00 18.49 C ATOM 877 O LEU A 77 46.914 28.138 -14.914 1.00 19.12 O ATOM 878 CB LEU A 77 43.784 27.048 -14.387 1.00 17.77 C ATOM 879 CG LEU A 77 42.892 26.247 -13.397 1.00 17.61 C ATOM 880 CD1 LEU A 77 41.741 25.487 -14.064 1.00 20.03 C ATOM 881 CD2 LEU A 77 43.709 25.303 -12.519 1.00 17.11 C ATOM 882 HA LEU A 77 45.385 27.404 -13.057 1.00 0.00 H ATOM 883 HB2 LEU A 77 43.127 27.633 -15.031 1.00 0.00 H ATOM 884 HB3 LEU A 77 44.340 26.331 -14.991 1.00 0.00 H ATOM 885 HG LEU A 77 42.437 27.010 -12.765 1.00 0.00 H ATOM 886 HD21 LEU A 77 44.240 24.590 -13.150 1.00 0.00 H ATOM 887 HD22 LEU A 77 44.427 25.881 -11.937 1.00 0.00 H ATOM 888 HD23 LEU A 77 43.041 24.766 -11.845 1.00 0.00 H ATOM 889 HD11 LEU A 77 41.092 26.194 -14.581 1.00 0.00 H ATOM 890 HD12 LEU A 77 42.146 24.773 -14.781 1.00 0.00 H ATOM 891 HD13 LEU A 77 41.169 24.956 -13.303 1.00 0.00 H ATOM 892 H LEU A 77 43.098 29.215 -13.020 1.00 0.00 H ATOM 893 N ASN A 78 45.366 29.713 -15.433 1.00 20.16 N ATOM 894 CA ASN A 78 46.277 30.403 -16.370 1.00 21.40 C ATOM 895 C ASN A 78 47.541 30.910 -15.690 1.00 21.46 C ATOM 896 O ASN A 78 48.634 30.821 -16.280 1.00 22.40 O ATOM 897 CB ASN A 78 45.578 31.569 -17.088 1.00 22.41 C ATOM 898 CG ASN A 78 44.510 31.085 -18.062 1.00 26.99 C ATOM 899 OD1 ASN A 78 44.550 29.946 -18.520 1.00 31.06 O ATOM 900 ND2 ASN A 78 43.535 31.948 -18.361 1.00 31.02 N ATOM 901 HA ASN A 78 46.566 29.653 -17.107 1.00 0.00 H ATOM 902 HB2 ASN A 78 45.109 32.211 -16.342 1.00 0.00 H ATOM 903 HB3 ASN A 78 46.324 32.140 -17.640 1.00 0.00 H ATOM 904 HD22 ASN A 78 43.542 32.903 -17.949 1.00 0.00 H ATOM 905 HD21 ASN A 78 42.769 31.665 -19.005 1.00 0.00 H ATOM 906 H ASN A 78 44.403 30.075 -15.284 1.00 0.00 H ATOM 907 N SER A 79 47.395 31.392 -14.446 1.00 20.04 N ATOM 908 CA SER A 79 48.495 31.934 -13.636 1.00 20.18 C ATOM 909 C SER A 79 49.555 30.887 -13.318 1.00 21.25 C ATOM 910 O SER A 79 50.701 31.228 -13.028 1.00 21.19 O ATOM 911 CB SER A 79 47.976 32.572 -12.318 1.00 19.47 C ATOM 912 OG SER A 79 47.705 31.616 -11.288 1.00 18.22 O ATOM 913 HA SER A 79 48.960 32.710 -14.244 1.00 0.00 H ATOM 914 HB2 SER A 79 47.056 33.115 -12.536 1.00 0.00 H ATOM 915 HB3 SER A 79 48.730 33.269 -11.952 1.00 0.00 H ATOM 916 HG SER A 79 47.014 30.981 -11.602 1.00 0.00 H ATOM 917 H SER A 79 46.443 31.381 -14.029 1.00 0.00 H ATOM 918 N GLN A 80 49.162 29.623 -13.380 1.00 21.88 N ATOM 919 CA GLN A 80 50.050 28.513 -13.031 1.00 24.03 C ATOM 920 C GLN A 80 50.723 27.922 -14.266 1.00 27.44 C ATOM 921 O GLN A 80 51.624 27.095 -14.121 1.00 28.91 O ATOM 922 CB GLN A 80 49.283 27.420 -12.295 1.00 23.45 C ATOM 923 CG GLN A 80 48.676 27.872 -10.942 1.00 21.39 C ATOM 924 CD GLN A 80 49.713 28.541 -10.053 1.00 23.38 C ATOM 925 OE1 GLN A 80 50.640 27.879 -9.570 1.00 24.65 O ATOM 926 NE2 GLN A 80 49.598 29.864 -9.873 1.00 19.80 N ATOM 927 HA GLN A 80 50.824 28.914 -12.377 1.00 0.00 H ATOM 928 HB2 GLN A 80 48.471 27.079 -12.938 1.00 0.00 H ATOM 929 HB3 GLN A 80 49.966 26.592 -12.104 1.00 0.00 H ATOM 930 HG2 GLN A 80 47.869 28.578 -11.136 1.00 0.00 H ATOM 931 HG3 GLN A 80 48.278 26.999 -10.425 1.00 0.00 H ATOM 932 HE22 GLN A 80 48.801 30.379 -10.299 1.00 0.00 H ATOM 933 HE21 GLN A 80 50.306 30.375 -9.308 1.00 0.00 H ATOM 934 H GLN A 80 48.191 29.413 -13.687 1.00 0.00 H ATOM 935 N LYS A 81 50.237 28.344 -15.440 1.00 29.65 N ATOM 936 CA LYS A 81 50.811 28.100 -16.801 1.00 32.12 C ATOM 937 C LYS A 81 49.846 27.354 -17.720 1.00 33.74 C ATOM 938 O LYS A 81 48.893 27.939 -18.282 1.00 35.10 O ATOM 939 CB LYS A 81 52.211 27.411 -16.755 1.00 32.92 C ATOM 940 HA LYS A 81 50.964 29.088 -17.235 1.00 0.00 H ATOM 941 HB2 LYS A 81 52.909 28.045 -16.208 1.00 0.00 H ATOM 942 HB3 LYS A 81 52.124 26.447 -16.253 1.00 0.00 H ATOM 943 H LYS A 81 49.362 28.905 -15.402 1.00 0.00 H TER 944 LYS A 81 HETATM 945 O HOH 1 34.195 34.453 -11.629 1.00 11.18 O HETATM 946 O HOH 2 32.719 27.856 -11.342 1.00 17.76 O HETATM 947 O HOH 3 38.325 24.248 4.292 1.00 13.75 O HETATM 948 O HOH 4 46.935 21.979 -3.370 1.00 13.04 O HETATM 949 O HOH 5 42.598 20.222 5.006 1.00 11.62 O HETATM 950 O HOH 6 45.738 17.276 -4.682 1.00 16.96 O HETATM 951 O HOH 7 45.483 20.282 1.188 1.00 12.64 O HETATM 952 O HOH 8 30.044 37.988 0.299 1.00 18.90 O HETATM 953 O HOH 9 48.545 27.363 -5.802 1.00 14.50 O HETATM 954 O HOH 10 25.366 36.603 0.537 1.00 16.95 O HETATM 955 O HOH 11 31.188 40.618 -0.577 1.00 18.97 O HETATM 956 O HOH 12 43.794 38.741 5.395 1.00 23.54 O HETATM 957 O HOH 13 44.571 31.205 5.730 1.00 21.67 O HETATM 958 O HOH 14 37.764 17.891 2.122 1.00 19.13 O HETATM 959 O HOH 15 34.948 17.306 -1.588 1.00 22.12 O HETATM 960 O HOH 16 32.186 36.693 0.932 1.00 14.46 O HETATM 961 O HOH 17 44.752 13.512 -3.801 1.00 19.30 O HETATM 962 O HOH 18 37.497 19.747 4.135 1.00 20.52 O HETATM 963 O HOH 19 46.685 17.743 -1.880 1.00 21.99 O HETATM 964 O HOH 20 44.215 36.169 8.460 1.00 19.11 O HETATM 965 O HOH 21 39.445 25.794 6.255 1.00 25.04 O HETATM 966 O HOH 22 42.081 11.156 -1.348 1.00 22.81 O HETATM 967 O HOH 23 46.907 19.643 -5.813 1.00 17.23 O HETATM 968 O HOH 24 38.469 34.183 3.297 1.00 14.50 O HETATM 969 O HOH 25 35.834 23.421 3.736 1.00 19.85 O HETATM 970 O HOH 26 45.783 32.809 -7.031 1.00 18.24 O HETATM 971 O HOH 27 40.288 17.029 3.117 1.00 21.40 O HETATM 972 O HOH 28 37.253 18.049 -12.582 1.00 24.99 O HETATM 973 O HOH 29 43.135 16.747 1.589 1.00 27.52 O HETATM 974 O HOH 30 41.818 29.343 6.400 1.00 21.06 O HETATM 975 O HOH 31 32.946 25.990 4.126 1.00 25.65 O HETATM 976 O HOH 32 38.022 41.414 0.748 1.00 26.10 O HETATM 977 O HOH 33 41.123 37.791 -7.390 1.00 20.09 O HETATM 978 O HOH 34 34.767 43.838 1.121 1.00 30.43 O HETATM 979 O HOH 35 37.709 39.419 -6.948 1.00 23.30 O HETATM 980 O HOH 36 34.801 17.208 -8.371 1.00 25.36 O HETATM 981 O HOH 37 27.307 27.888 -6.234 1.00 28.79 O HETATM 982 O HOH 38 35.814 14.732 -1.086 1.00 24.57 O HETATM 983 O HOH 39 34.796 34.867 10.566 1.00 33.28 O HETATM 984 O HOH 40 37.824 41.413 6.671 1.00 27.91 O HETATM 985 O HOH 41 26.540 27.841 1.696 1.00 23.40 O HETATM 986 O HOH 42 46.743 33.512 -9.320 1.00 23.55 O HETATM 987 O HOH 43 39.626 34.696 -16.217 1.00 27.80 O HETATM 988 O HOH 44 37.822 37.071 8.560 1.00 30.34 O HETATM 989 O HOH 45 23.037 26.584 0.841 1.00 29.84 O HETATM 990 O HOH 46 45.301 18.694 -7.745 1.00 22.43 O HETATM 991 O HOH 47 45.755 34.613 -14.890 1.00 22.60 O HETATM 992 O HOH 48 35.292 20.916 1.084 1.00 27.79 O HETATM 993 O HOH 49 38.574 21.395 -11.593 1.00 30.23 O HETATM 994 O HOH 50 37.003 7.713 -4.251 1.00 31.73 O HETATM 995 O HOH 51 41.765 40.726 3.298 1.00 37.33 O HETATM 996 O HOH 52 21.950 31.120 -3.704 1.00 28.26 O HETATM 997 O HOH 53 32.610 39.576 -11.679 1.00 30.03 O HETATM 998 O HOH 54 44.629 38.608 1.550 1.00 33.60 O HETATM 999 O HOH 55 30.256 24.364 -10.640 1.00 33.18 O HETATM 1000 O HOH 56 52.495 26.265 -8.985 1.00 26.10 O HETATM 1001 O HOH 57 37.950 39.721 -9.666 1.00 31.97 O HETATM 1002 O HOH 58 34.541 37.448 -12.149 1.00 28.79 O HETATM 1003 O HOH 59 39.039 36.871 -13.142 1.00 32.49 O HETATM 1004 O HOH 60 35.480 30.548 6.627 1.00 33.89 O HETATM 1005 O HOH 61 35.733 8.756 -7.392 1.00 39.92 O HETATM 1006 O HOH 62 42.696 39.397 -5.928 1.00 35.77 O HETATM 1007 O HOH 63 24.396 41.663 -6.588 1.00 15.38 O HETATM 1008 O HOH 64 27.263 39.558 -7.981 1.00 22.09 O HETATM 1009 O HOH 65 20.561 41.256 -4.289 1.00 16.81 O HETATM 1010 O HOH 66 31.464 42.184 -2.909 1.00 22.61 O HETATM 1011 O HOH 67 29.880 38.857 -7.018 1.00 25.56 O HETATM 1012 O HOH 68 27.585 40.743 -5.119 1.00 26.66 O HETATM 1013 O HOH 69 21.965 34.979 -7.038 1.00 27.60 O HETATM 1014 O HOH 70 33.421 41.860 -5.155 1.00 28.77 O HETATM 1015 O HOH 71 31.425 40.413 -9.600 1.00 27.29 O HETATM 1016 O HOH 72 22.757 31.668 -9.585 1.00 41.26 O HETATM 1017 O HOH 73 25.173 42.319 -11.050 1.00 26.39 O HETATM 1018 O HOH 74 31.039 41.445 -6.070 1.00 33.84 O HETATM 1019 O HOH 75 31.420 34.647 -12.492 1.00 35.57 O HETATM 1020 O HOH 76 32.277 31.533 7.599 1.00 34.94 O HETATM 1021 O HOH 77 30.759 34.162 8.626 1.00 31.00 O HETATM 1022 O HOH 78 19.905 38.327 -11.093 1.00 27.07 O HETATM 1023 O HOH 79 29.408 33.510 -12.281 1.00 29.78 O HETATM 1024 N TYR A 80 22.879 40.668 -2.927 1.00 0.24 N HETATM 1025 CA TYR A 80 23.120 39.191 -2.879 1.00 0.07 C HETATM 1026 C TYR A 80 23.821 38.780 -4.176 1.00 0.23 C HETATM 1027 O TYR A 80 23.480 39.288 -5.224 1.00 -0.39 O HETATM 1028 N TYR A 80 24.819 37.881 -4.103 1.00 -0.25 N HETATM 1029 CA TYR A 80 25.609 37.763 -5.361 1.00 0.13 C HETATM 1030 C TYR A 80 24.909 36.997 -6.468 1.00 0.20 C HETATM 1031 O TYR A 80 24.165 36.044 -6.201 1.00 -0.39 O HETATM 1032 N TYR A 80 25.171 37.416 -7.697 1.00 -0.26 N HETATM 1033 CA TYR A 80 24.638 36.726 -8.861 1.00 0.13 C HETATM 1034 C TYR A 80 25.721 36.117 -9.757 1.00 0.20 C HETATM 1035 O TYR A 80 25.395 35.459 -10.753 1.00 -0.39 O HETATM 1036 N TYR A 80 26.990 36.360 -9.416 1.00 -0.26 N HETATM 1037 CA TYR A 80 28.141 35.856 -10.167 1.00 0.13 C HETATM 1038 C TYR A 80 29.326 35.845 -9.222 1.00 0.20 C HETATM 1039 O TYR A 80 29.217 36.431 -8.134 1.00 -0.39 O HETATM 1040 N TYR A 80 30.450 35.243 -9.641 1.00 -0.26 N HETATM 1041 CA TYR A 80 31.725 35.256 -8.808 1.00 0.13 C HETATM 1042 C TYR A 80 31.401 34.887 -7.349 1.00 0.20 C HETATM 1043 O TYR A 80 31.693 35.626 -6.381 1.00 -0.39 O HETATM 1044 N TYR A 80 30.773 33.726 -7.197 1.00 -0.26 N HETATM 1045 CA TYR A 80 30.201 33.323 -5.905 1.00 0.13 C HETATM 1046 C TYR A 80 30.346 31.810 -5.661 1.00 0.20 C HETATM 1047 O TYR A 80 30.649 31.072 -6.583 1.00 -0.39 O HETATM 1048 N TYR A 80 30.141 31.389 -4.420 1.00 -0.26 N HETATM 1049 CA TYR A 80 30.165 29.973 -4.054 1.00 0.13 C HETATM 1050 C TYR A 80 29.361 29.750 -2.783 1.00 0.20 C HETATM 1051 O TYR A 80 29.132 30.670 -1.969 1.00 -0.39 O HETATM 1052 N TYR A 80 28.934 28.509 -2.630 1.00 -0.26 N HETATM 1053 CA TYR A 80 28.275 28.028 -1.438 1.00 0.13 C HETATM 1054 C TYR A 80 29.365 27.366 -0.591 1.00 0.20 C HETATM 1055 O TYR A 80 30.491 27.155 -1.047 1.00 -0.39 O HETATM 1056 N TYR A 80 29.187 27.509 0.870 1.00 -0.26 N HETATM 1057 CA TYR A 80 30.123 26.939 1.848 1.00 0.13 C HETATM 1058 CB TYR A 80 30.144 27.846 3.063 1.00 -0.01 C HETATM 1059 CG TYR A 80 30.978 29.087 2.742 1.00 -0.04 C HETATM 1060 CD TYR A 80 31.072 30.001 3.978 1.00 -0.01 C HETATM 1061 CE TYR A 80 31.972 31.188 3.611 1.00 -0.03 C HETATM 1062 NZ TYR A 80 32.118 32.074 4.795 1.00 0.23 N HETATM 1063 CH1 TYR A 80 33.262 33.000 4.593 1.00 -0.04 C HETATM 1064 H96 TYR A 80 33.365 33.653 5.472 1.00 0.08 H HETATM 1065 H97 TYR A 80 33.083 33.615 3.699 1.00 0.08 H HETATM 1066 H98 TYR A 80 34.186 32.418 4.458 1.00 0.08 H HETATM 1067 CH2 TYR A 80 30.876 32.857 5.074 1.00 -0.04 C HETATM 1068 H99 TYR A 80 30.033 32.166 5.223 1.00 0.08 H HETATM 1069 H100 TYR A 80 30.661 33.520 4.223 1.00 0.08 H HETATM 1070 H101 TYR A 80 31.020 33.461 5.982 1.00 0.08 H HETATM 1071 H95 TYR A 80 32.310 31.495 5.598 1.00 0.20 H HETATM 1072 H93 TYR A 80 31.518 31.752 2.783 1.00 0.08 H HETATM 1073 H94 TYR A 80 32.961 30.819 3.304 1.00 0.08 H HETATM 1074 H91 TYR A 80 31.508 29.447 4.822 1.00 0.03 H HETATM 1075 H92 TYR A 80 30.070 30.362 4.255 1.00 0.03 H HETATM 1076 H89 TYR A 80 30.504 29.640 1.917 1.00 0.03 H HETATM 1077 H90 TYR A 80 31.990 28.777 2.442 1.00 0.03 H HETATM 1078 H87 TYR A 80 30.590 27.312 3.915 1.00 0.03 H HETATM 1079 H88 TYR A 80 29.117 28.147 3.317 1.00 0.03 H HETATM 1080 C TYR A 80 29.665 25.518 2.247 1.00 0.20 C HETATM 1081 O TYR A 80 28.516 25.224 2.641 1.00 -0.39 O HETATM 1082 N TYR A 80 30.676 24.478 2.232 1.00 -0.26 N HETATM 1083 CA TYR A 80 30.620 23.171 2.945 1.00 0.15 C HETATM 1084 C TYR A 80 30.087 23.313 4.366 1.00 0.21 C HETATM 1085 O TYR A 80 29.275 22.480 4.799 1.00 -0.39 O HETATM 1086 N TYR A 80 30.490 24.393 5.040 1.00 -0.26 N HETATM 1087 CA TYR A 80 29.975 24.789 6.385 1.00 0.13 C HETATM 1088 C TYR A 80 28.447 24.949 6.512 1.00 0.20 C HETATM 1089 O TYR A 80 27.910 24.809 7.615 1.00 -0.39 O HETATM 1090 N TYR A 80 27.767 25.285 5.410 1.00 -0.27 N HETATM 1091 CA TYR A 80 26.303 25.340 5.363 1.00 0.08 C HETATM 1092 C TYR A 80 25.642 23.987 5.091 1.00 0.06 C HETATM 1093 O TYR A 80 26.322 22.962 4.841 1.00 -0.57 O HETATM 1094 OXT TYR A 80 24.394 23.850 5.107 1.00 -0.57 O HETATM 1095 H113 TYR A 80 26.008 26.037 4.565 1.00 0.07 H HETATM 1096 H114 TYR A 80 25.939 25.715 6.331 1.00 0.07 H HETATM 1097 H112 TYR A 80 28.280 25.509 4.581 1.00 0.19 H HETATM 1098 CB TYR A 80 30.685 26.086 6.883 1.00 -0.02 C HETATM 1099 H109 TYR A 80 30.293 26.361 7.873 1.00 0.03 H HETATM 1100 H110 TYR A 80 30.494 26.904 6.173 1.00 0.03 H HETATM 1101 H111 TYR A 80 31.768 25.907 6.954 1.00 0.03 H HETATM 1102 H108 TYR A 80 30.257 23.976 7.071 1.00 0.08 H HETATM 1103 H107 TYR A 80 31.183 24.976 4.616 1.00 0.19 H HETATM 1104 CB TYR A 80 31.997 22.534 2.932 1.00 0.08 C HETATM 1105 OG TYR A 80 32.354 22.317 1.600 1.00 -0.39 O HETATM 1106 H106 TYR A 80 32.370 23.147 1.138 1.00 0.21 H HETATM 1107 H104 TYR A 80 31.972 21.577 3.473 1.00 0.06 H HETATM 1108 H105 TYR A 80 32.725 23.206 3.410 1.00 0.06 H HETATM 1109 H103 TYR A 80 29.932 22.512 2.395 1.00 0.08 H HETATM 1110 H102 TYR A 80 31.495 24.657 1.687 1.00 0.19 H HETATM 1111 H86 TYR A 80 31.131 26.886 1.410 1.00 0.08 H HETATM 1112 H85 TYR A 80 28.394 28.016 1.207 1.00 0.19 H HETATM 1113 CB TYR A 80 27.188 27.052 -1.886 1.00 -0.01 C HETATM 1114 CG TYR A 80 26.663 26.015 -0.946 1.00 -0.02 C HETATM 1115 CD TYR A 80 25.441 25.316 -1.610 1.00 0.06 C HETATM 1116 NE TYR A 80 25.311 25.592 -3.049 1.00 -0.27 N HETATM 1117 CZ TYR A 80 25.611 24.725 -4.028 1.00 0.29 C HETATM 1118 NH1 TYR A 80 26.052 23.486 -3.743 1.00 -0.28 N HETATM 1119 H81 TYR A 80 26.278 22.832 -4.506 1.00 0.26 H HETATM 1120 H82 TYR A 80 26.163 23.192 -2.762 1.00 0.26 H HETATM 1121 NH2 TYR A 80 25.452 25.098 -5.304 1.00 -0.28 N HETATM 1122 H83 TYR A 80 25.115 26.046 -5.525 1.00 0.26 H HETATM 1123 H84 TYR A 80 25.667 24.437 -6.064 1.00 0.26 H HETATM 1124 H80 TYR A 80 24.963 26.521 -3.326 1.00 0.26 H HETATM 1125 H78 TYR A 80 24.527 25.663 -1.106 1.00 0.07 H HETATM 1126 H79 TYR A 80 25.546 24.230 -1.473 1.00 0.07 H HETATM 1127 H76 TYR A 80 26.351 26.492 -0.005 1.00 0.03 H HETATM 1128 H77 TYR A 80 27.447 25.272 -0.738 1.00 0.03 H HETATM 1129 H74 TYR A 80 27.588 26.513 -2.757 1.00 0.03 H HETATM 1130 H75 TYR A 80 26.326 27.661 -2.196 1.00 0.03 H HETATM 1131 H73 TYR A 80 27.818 28.857 -0.877 1.00 0.08 H HETATM 1132 H72 TYR A 80 29.075 27.866 -3.383 1.00 0.19 H HETATM 1133 CB TYR A 80 31.632 29.491 -3.868 1.00 -0.02 C HETATM 1134 H69 TYR A 80 31.636 28.426 -3.593 1.00 0.03 H HETATM 1135 H70 TYR A 80 32.112 30.077 -3.071 1.00 0.03 H HETATM 1136 H71 TYR A 80 32.185 29.629 -4.809 1.00 0.03 H HETATM 1137 H68 TYR A 80 29.706 29.391 -4.867 1.00 0.08 H HETATM 1138 H67 TYR A 80 29.963 32.066 -3.706 1.00 0.19 H HETATM 1139 CB TYR A 80 28.712 33.703 -5.832 1.00 -0.01 C HETATM 1140 CG TYR A 80 27.841 32.994 -6.867 1.00 -0.04 C HETATM 1141 CD TYR A 80 26.345 33.434 -6.736 1.00 -0.01 C HETATM 1142 CE TYR A 80 25.485 33.107 -7.972 1.00 -0.04 C HETATM 1143 NZ TYR A 80 25.399 31.641 -8.210 1.00 0.22 N HETATM 1144 H64 TYR A 80 24.831 31.465 -9.024 1.00 0.20 H HETATM 1145 H65 TYR A 80 24.984 31.194 -7.407 1.00 0.20 H HETATM 1146 H66 TYR A 80 26.324 31.270 -8.360 1.00 0.20 H HETATM 1147 H62 TYR A 80 25.933 33.586 -8.855 1.00 0.08 H HETATM 1148 H63 TYR A 80 24.471 33.503 -7.816 1.00 0.08 H HETATM 1149 H60 TYR A 80 26.317 34.522 -6.573 1.00 0.03 H HETATM 1150 H61 TYR A 80 25.909 32.922 -5.866 1.00 0.03 H HETATM 1151 H58 TYR A 80 27.911 31.907 -6.713 1.00 0.03 H HETATM 1152 H59 TYR A 80 28.203 33.245 -7.875 1.00 0.03 H HETATM 1153 H56 TYR A 80 28.623 34.788 -5.990 1.00 0.03 H HETATM 1154 H57 TYR A 80 28.338 33.446 -4.830 1.00 0.03 H HETATM 1155 H55 TYR A 80 30.741 33.857 -5.109 1.00 0.08 H HETATM 1156 H54 TYR A 80 30.688 33.111 -7.981 1.00 0.19 H HETATM 1157 CB TYR A 80 32.438 36.623 -8.882 1.00 -0.01 C HETATM 1158 CG TYR A 80 33.931 36.581 -8.450 1.00 -0.04 C HETATM 1159 CD TYR A 80 34.568 37.955 -8.586 1.00 -0.01 C HETATM 1160 CE TYR A 80 34.302 38.828 -7.323 1.00 -0.04 C HETATM 1161 NZ TYR A 80 35.044 40.122 -7.526 1.00 0.22 N HETATM 1162 H51 TYR A 80 34.899 40.721 -6.728 1.00 0.20 H HETATM 1163 H52 TYR A 80 34.701 40.579 -8.356 1.00 0.20 H HETATM 1164 H53 TYR A 80 36.029 39.932 -7.629 1.00 0.20 H HETATM 1165 H49 TYR A 80 34.673 38.316 -6.423 1.00 0.08 H HETATM 1166 H50 TYR A 80 33.224 39.022 -7.216 1.00 0.08 H HETATM 1167 H47 TYR A 80 34.145 38.461 -9.467 1.00 0.03 H HETATM 1168 H48 TYR A 80 35.654 37.836 -8.717 1.00 0.03 H HETATM 1169 H45 TYR A 80 34.472 35.867 -9.089 1.00 0.03 H HETATM 1170 H46 TYR A 80 33.995 36.256 -7.401 1.00 0.03 H HETATM 1171 H43 TYR A 80 31.907 37.326 -8.224 1.00 0.03 H HETATM 1172 H44 TYR A 80 32.388 36.983 -9.920 1.00 0.03 H HETATM 1173 H42 TYR A 80 32.407 34.495 -9.214 1.00 0.08 H HETATM 1174 H41 TYR A 80 30.450 34.773 -10.524 1.00 0.19 H HETATM 1175 CB TYR A 80 28.459 36.761 -11.367 1.00 -0.01 C HETATM 1176 CG TYR A 80 28.663 38.211 -10.998 1.00 -0.04 C HETATM 1177 CD TYR A 80 28.771 39.117 -12.225 1.00 -0.01 C HETATM 1178 CE TYR A 80 29.133 40.552 -11.803 1.00 -0.04 C HETATM 1179 NZ TYR A 80 29.309 41.480 -12.969 1.00 0.22 N HETATM 1180 H38 TYR A 80 29.544 42.401 -12.633 1.00 0.20 H HETATM 1181 H39 TYR A 80 28.451 41.523 -13.496 1.00 0.20 H HETATM 1182 H40 TYR A 80 30.050 41.139 -13.561 1.00 0.20 H HETATM 1183 H36 TYR A 80 30.073 40.523 -11.233 1.00 0.08 H HETATM 1184 H37 TYR A 80 28.328 40.943 -11.163 1.00 0.08 H HETATM 1185 H34 TYR A 80 27.806 39.127 -12.754 1.00 0.03 H HETATM 1186 H35 TYR A 80 29.552 38.728 -12.895 1.00 0.03 H HETATM 1187 H32 TYR A 80 29.590 38.299 -10.412 1.00 0.03 H HETATM 1188 H33 TYR A 80 27.810 38.543 -10.388 1.00 0.03 H HETATM 1189 H30 TYR A 80 27.624 36.699 -12.080 1.00 0.03 H HETATM 1190 H31 TYR A 80 29.378 36.392 -11.846 1.00 0.03 H HETATM 1191 H29 TYR A 80 27.933 34.837 -10.525 1.00 0.08 H HETATM 1192 H28 TYR A 80 27.163 36.917 -8.603 1.00 0.19 H HETATM 1193 CB TYR A 80 23.715 37.661 -9.704 1.00 -0.01 C HETATM 1194 CG1 TYR A 80 22.614 38.217 -8.835 1.00 -0.06 C HETATM 1195 H22 TYR A 80 21.969 38.874 -9.436 1.00 0.02 H HETATM 1196 H23 TYR A 80 23.055 38.793 -8.008 1.00 0.02 H HETATM 1197 H24 TYR A 80 22.015 37.389 -8.427 1.00 0.02 H HETATM 1198 CG2 TYR A 80 24.505 38.779 -10.362 1.00 -0.06 C HETATM 1199 H25 TYR A 80 25.299 38.347 -10.988 1.00 0.02 H HETATM 1200 H26 TYR A 80 24.955 39.416 -9.586 1.00 0.02 H HETATM 1201 H27 TYR A 80 23.833 39.384 -10.988 1.00 0.02 H HETATM 1202 H21 TYR A 80 23.254 37.059 -10.501 1.00 0.03 H HETATM 1203 H20 TYR A 80 24.020 35.897 -8.487 1.00 0.08 H HETATM 1204 H19 TYR A 80 25.747 38.223 -7.827 1.00 0.19 H HETATM 1205 CB TYR A 80 26.874 36.987 -4.937 1.00 -0.01 C HETATM 1206 CG TYR A 80 26.552 36.342 -3.661 1.00 -0.03 C HETATM 1207 CD TYR A 80 25.367 37.063 -3.002 1.00 0.04 C HETATM 1208 H17 TYR A 80 24.621 36.343 -2.636 1.00 0.05 H HETATM 1209 H18 TYR A 80 25.704 37.697 -2.169 1.00 0.05 H HETATM 1210 H15 TYR A 80 27.426 36.391 -2.995 1.00 0.03 H HETATM 1211 H16 TYR A 80 26.286 35.290 -3.840 1.00 0.03 H HETATM 1212 H13 TYR A 80 27.721 37.678 -4.812 1.00 0.03 H HETATM 1213 H14 TYR A 80 27.128 36.230 -5.693 1.00 0.03 H HETATM 1214 H12 TYR A 80 25.870 38.765 -5.732 1.00 0.08 H HETATM 1215 CB TYR A 80 21.795 38.422 -2.802 1.00 0.04 C HETATM 1216 CG TYR A 80 21.966 36.942 -2.454 1.00 -0.05 C HETATM 1217 CD1 TYR A 80 22.119 36.540 -1.130 1.00 -0.07 C HETATM 1218 CE1 TYR A 80 22.290 35.184 -0.763 1.00 -0.04 C HETATM 1219 CZ TYR A 80 22.305 34.217 -1.731 1.00 0.08 C HETATM 1220 CE2 TYR A 80 22.133 34.551 -3.073 1.00 -0.04 C HETATM 1221 CD2 TYR A 80 21.979 35.949 -3.456 1.00 -0.07 C HETATM 1222 H8 TYR A 80 21.876 36.223 -4.500 1.00 0.05 H HETATM 1223 H10 TYR A 80 22.114 33.774 -3.829 1.00 0.05 H HETATM 1224 OH TYR A 80 22.436 32.895 -1.338 1.00 -0.34 O HETATM 1225 H11 TYR A 80 21.657 32.413 -1.589 1.00 0.25 H HETATM 1226 H9 TYR A 80 22.409 34.913 0.280 1.00 0.05 H HETATM 1227 H7 TYR A 80 22.107 37.294 -0.351 1.00 0.05 H HETATM 1228 H5 TYR A 80 21.294 38.494 -3.778 1.00 0.05 H HETATM 1229 H6 TYR A 80 21.165 38.890 -2.031 1.00 0.05 H HETATM 1230 H4 TYR A 80 23.746 38.944 -2.009 1.00 0.11 H HETATM 1231 H1 TYR A 80 22.417 40.961 -2.080 1.00 0.20 H HETATM 1232 H2 TYR A 80 22.297 40.888 -3.720 1.00 0.20 H HETATM 1233 H3 TYR A 80 23.760 41.150 -3.013 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1024 1025 1231 1232 1233 CONECT 1025 1024 1026 1215 1230 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 1029 1207 CONECT 1029 1028 1030 1205 1214 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1204 CONECT 1033 1032 1034 1193 1203 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1192 CONECT 1037 1036 1038 1175 1191 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1174 CONECT 1041 1040 1042 1157 1173 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1156 CONECT 1045 1044 1046 1139 1155 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1138 CONECT 1049 1048 1050 1133 1137 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1132 CONECT 1053 1052 1054 1113 1131 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1112 CONECT 1057 1056 1058 1080 1111 CONECT 1058 1057 1059 1078 1079 CONECT 1059 1058 1060 1076 1077 CONECT 1060 1059 1061 1074 1075 CONECT 1061 1060 1062 1072 1073 CONECT 1062 1061 1063 1067 1071 CONECT 1063 1062 1064 1065 1066 CONECT 1064 1063 CONECT 1065 1063 CONECT 1066 1063 CONECT 1067 1062 1068 1069 1070 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1067 CONECT 1071 1062 CONECT 1072 1061 CONECT 1073 1061 CONECT 1074 1060 CONECT 1075 1060 CONECT 1076 1059 CONECT 1077 1059 CONECT 1078 1058 CONECT 1079 1058 CONECT 1080 1057 1081 1082 CONECT 1081 1080 CONECT 1082 1080 1083 1110 CONECT 1083 1082 1084 1104 1109 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 1087 1103 CONECT 1087 1086 1088 1098 1102 CONECT 1088 1087 1089 1090 CONECT 1089 1088 CONECT 1090 1088 1091 1097 CONECT 1091 1090 1092 1095 1096 CONECT 1092 1091 1093 1094 CONECT 1093 1092 CONECT 1094 1092 CONECT 1095 1091 CONECT 1096 1091 CONECT 1097 1090 CONECT 1098 1087 1099 1100 1101 CONECT 1099 1098 CONECT 1100 1098 CONECT 1101 1098 CONECT 1102 1087 CONECT 1103 1086 CONECT 1104 1083 1105 1107 1108 CONECT 1105 1104 1106 CONECT 1106 1105 CONECT 1107 1104 CONECT 1108 1104 CONECT 1109 1083 CONECT 1110 1082 CONECT 1111 1057 CONECT 1112 1056 CONECT 1113 1053 1114 1129 1130 CONECT 1114 1113 1115 1127 1128 CONECT 1115 1114 1116 1125 1126 CONECT 1116 1115 1117 1124 CONECT 1117 1116 1118 1121 CONECT 1118 1117 1119 1120 CONECT 1119 1118 CONECT 1120 1118 CONECT 1121 1117 1122 1123 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1116 CONECT 1125 1115 CONECT 1126 1115 CONECT 1127 1114 CONECT 1128 1114 CONECT 1129 1113 CONECT 1130 1113 CONECT 1131 1053 CONECT 1132 1052 CONECT 1133 1049 1134 1135 1136 CONECT 1134 1133 CONECT 1135 1133 CONECT 1136 1133 CONECT 1137 1049 CONECT 1138 1048 CONECT 1139 1045 1140 1153 1154 CONECT 1140 1139 1141 1151 1152 CONECT 1141 1140 1142 1149 1150 CONECT 1142 1141 1143 1147 1148 CONECT 1143 1142 1144 1145 1146 CONECT 1144 1143 CONECT 1145 1143 CONECT 1146 1143 CONECT 1147 1142 CONECT 1148 1142 CONECT 1149 1141 CONECT 1150 1141 CONECT 1151 1140 CONECT 1152 1140 CONECT 1153 1139 CONECT 1154 1139 CONECT 1155 1045 CONECT 1156 1044 CONECT 1157 1041 1158 1171 1172 CONECT 1158 1157 1159 1169 1170 CONECT 1159 1158 1160 1167 1168 CONECT 1160 1159 1161 1165 1166 CONECT 1161 1160 1162 1163 1164 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1161 CONECT 1165 1160 CONECT 1166 1160 CONECT 1167 1159 CONECT 1168 1159 CONECT 1169 1158 CONECT 1170 1158 CONECT 1171 1157 CONECT 1172 1157 CONECT 1173 1041 CONECT 1174 1040 CONECT 1175 1037 1176 1189 1190 CONECT 1176 1175 1177 1187 1188 CONECT 1177 1176 1178 1185 1186 CONECT 1178 1177 1179 1183 1184 CONECT 1179 1178 1180 1181 1182 CONECT 1180 1179 CONECT 1181 1179 CONECT 1182 1179 CONECT 1183 1178 CONECT 1184 1178 CONECT 1185 1177 CONECT 1186 1177 CONECT 1187 1176 CONECT 1188 1176 CONECT 1189 1175 CONECT 1190 1175 CONECT 1191 1037 CONECT 1192 1036 CONECT 1193 1033 1194 1198 1202 CONECT 1194 1193 1195 1196 1197 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1194 CONECT 1198 1193 1199 1200 1201 CONECT 1199 1198 CONECT 1200 1198 CONECT 1201 1198 CONECT 1202 1193 CONECT 1203 1033 CONECT 1204 1032 CONECT 1205 1029 1206 1212 1213 CONECT 1206 1205 1207 1210 1211 CONECT 1207 1028 1206 1208 1209 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1206 CONECT 1211 1206 CONECT 1212 1205 CONECT 1213 1205 CONECT 1214 1029 CONECT 1215 1025 1216 1228 1229 CONECT 1216 1215 1217 1221 CONECT 1217 1216 1218 1227 CONECT 1218 1217 1219 1226 CONECT 1219 1218 1220 1224 CONECT 1220 1219 1221 1223 CONECT 1221 1216 1220 1222 CONECT 1222 1221 CONECT 1223 1220 CONECT 1224 1219 1225 CONECT 1225 1224 CONECT 1226 1218 CONECT 1227 1217 CONECT 1228 1215 CONECT 1229 1215 CONECT 1230 1025 CONECT 1231 1024 CONECT 1232 1024 CONECT 1233 1024 MASTER 0 0 0 0 0 0 0 0 1232 1 214 5 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Check Database
Protein Sequence Similarity
3iiy
RCSB PDB
PDBbind
11aa, >3IIY_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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19-mer
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RCSB PDB
PDBbind
19-mer
4a1w
RCSB PDB
PDBbind
19-mer
4bpi
RCSB PDB
PDBbind
19-mer
4bpj
RCSB PDB
PDBbind
19-mer
4hpy
RCSB PDB
PDBbind
19-mer
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PDBbind
19-mer
4mzj
RCSB PDB
PDBbind
19-mer
4mzk
RCSB PDB
PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
4qxt
RCSB PDB
PDBbind
19-mer
4qy8
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PDBbind
19-mer
4tkn
RCSB PDB
PDBbind
19-mer
4xek
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PDBbind
19-mer
4xgz
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PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
5bjt
RCSB PDB
PDBbind
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5ekg
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PDBbind
19-mer
5f67
RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
19-mer
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PDBbind
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RCSB PDB
PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
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PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
19-mer
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PDBbind
19-mer
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PDBbind
19-mer
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RCSB PDB
PDBbind
19-mer
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RCSB PDB
PDBbind
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5v5o
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PDBbind
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PDBbind
19-mer
Entry Information
PDB ID
3tzd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Chromobox Homolog 3 (CBX3)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=52uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Plos One Vol. 7: pp. e35376-e35376
Ligand Properties
Formula
C
6
2
H
1
1
5
N
1
9
O
1
5
Molecular Weight
1366.690
Exact Mass
1365.880
No. of atoms
211
No. of bonds
212
Polar Surface Area
570.08
LOGP Value
-2.91 (
Computed with XLOGP3
)
-6.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 59
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)CO)CCCC[NH+](C)C)CCC[NH+]=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)[NH3+])CCCC[NH3+])CCCC[NH3+]
InChI String
InChI=1S/C62H109N19O15/c1-36(2)50(79-59(94)48-22-16-32-81(48)61(96)41(66)33-39-23-25-40(83)26-24-39)60(95)77-45(19-9-13-29-65)55(90)75-43(18-8-12-28-64)54(89)74-42(17-7-11-27-63)53(88)72-38(4)52(87)73-46(21-15-30-69-62(67)68)56(91)76-44(20-10-14-31-80(5)6)57(92)78-47(35-82)58(93)71-37(3)51(86)70-34-49(84)85/h23-26,36-38,41-48,50,82-83H,7-22,27-35,63-66H2,1-6H3,(H,70,86)(H,71,93)(H,72,88)(H,73,87)(H,74,89)(H,75,90)(H,76,91)(H,77,95)(H,78,92)(H,79,94)(H,84,85)(H4,67,68,69)/p+6/t37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,50-/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):
P10412
Q13185
Entrez Gene ID
NCBI Entrez Gene ID:
3008
11335
ASD
Information of known allosteric effects of PDB entries
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