Browse entries in the PDBbind-CN Database
HEADER 3TPX_COMPLEX COMPND 3TPX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 84 THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU SEQRES 2 A 84 LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS SEQRES 3 A 84 GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS SEQRES 4 A 84 ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SEQRES 5 A 84 SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SER SEQRES 6 A 84 PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE SEQRES 7 A 84 TYR ARG ASN LEU VAL VAL HET DAL A 191 204 ATOM 1 N THR A 26 23.397 -28.116 7.367 1.00 54.53 N ATOM 2 CA THR A 26 22.242 -28.695 8.090 1.00 54.32 C ATOM 3 C THR A 26 22.641 -29.986 8.787 1.00 52.55 C ATOM 4 O THR A 26 23.220 -30.898 8.174 1.00 52.61 O ATOM 5 CB THR A 26 21.040 -28.974 7.149 1.00 54.32 C ATOM 6 OG1 THR A 26 20.481 -27.731 6.746 1.00 57.10 O ATOM 7 CG2 THR A 26 19.939 -29.809 7.851 1.00 55.21 C ATOM 8 HA THR A 26 21.931 -27.955 8.828 1.00 0.00 H ATOM 9 HB THR A 26 21.403 -29.543 6.293 1.00 0.00 H ATOM 10 HG1 THR A 26 19.712 -27.896 6.144 1.00 0.00 H ATOM 11 HG23 THR A 26 20.356 -30.766 8.165 1.00 0.00 H ATOM 12 HG21 THR A 26 19.574 -29.266 8.723 1.00 0.00 H ATOM 13 HG22 THR A 26 19.116 -29.980 7.157 1.00 0.00 H ATOM 14 HN3 THR A 26 23.734 -28.795 6.654 1.00 0.00 H ATOM 15 HN2 THR A 26 24.161 -27.913 8.043 1.00 0.00 H ATOM 16 HN1 THR A 26 23.105 -27.235 6.898 1.00 0.00 H ATOM 17 N LEU A 27 22.291 -30.064 10.060 1.00 50.27 N ATOM 18 CA LEU A 27 22.634 -31.221 10.846 1.00 47.81 C ATOM 19 C LEU A 27 21.395 -32.045 11.083 1.00 45.14 C ATOM 20 O LEU A 27 20.317 -31.499 11.296 1.00 46.78 O ATOM 21 CB LEU A 27 23.265 -30.787 12.154 1.00 47.95 C ATOM 22 CG LEU A 27 24.790 -30.539 12.227 1.00 49.89 C ATOM 23 CD1 LEU A 27 25.512 -30.335 10.886 1.00 47.55 C ATOM 24 CD2 LEU A 27 25.083 -29.416 13.221 1.00 52.08 C ATOM 25 HA LEU A 27 23.360 -31.833 10.311 1.00 0.00 H ATOM 26 HB2 LEU A 27 22.779 -29.856 12.445 1.00 0.00 H ATOM 27 HB3 LEU A 27 23.035 -31.560 12.887 1.00 0.00 H ATOM 28 HG LEU A 27 25.219 -31.475 12.584 1.00 0.00 H ATOM 29 HD21 LEU A 27 24.583 -28.504 12.894 1.00 0.00 H ATOM 30 HD22 LEU A 27 24.715 -29.700 14.207 1.00 0.00 H ATOM 31 HD23 LEU A 27 26.159 -29.246 13.268 1.00 0.00 H ATOM 32 HD11 LEU A 27 25.381 -31.222 10.266 1.00 0.00 H ATOM 33 HD12 LEU A 27 25.091 -29.468 10.376 1.00 0.00 H ATOM 34 HD13 LEU A 27 26.574 -30.171 11.068 1.00 0.00 H ATOM 35 H LEU A 27 21.763 -29.282 10.498 1.00 0.00 H ATOM 36 N VAL A 28 21.539 -33.367 11.001 1.00 39.68 N ATOM 37 CA VAL A 28 20.485 -34.263 11.405 1.00 36.29 C ATOM 38 C VAL A 28 20.913 -35.050 12.647 1.00 36.60 C ATOM 39 O VAL A 28 22.106 -35.152 12.943 1.00 35.41 O ATOM 40 CB VAL A 28 20.091 -35.245 10.262 1.00 35.84 C ATOM 41 CG1 VAL A 28 19.596 -34.447 9.048 1.00 34.83 C ATOM 42 CG2 VAL A 28 21.269 -36.178 9.898 1.00 35.66 C ATOM 43 HA VAL A 28 19.609 -33.659 11.640 1.00 0.00 H ATOM 44 HB VAL A 28 19.279 -35.886 10.605 1.00 0.00 H ATOM 45 HG11 VAL A 28 18.727 -33.855 9.334 1.00 0.00 H ATOM 46 HG12 VAL A 28 20.390 -33.786 8.701 1.00 0.00 H ATOM 47 HG13 VAL A 28 19.321 -35.136 8.250 1.00 0.00 H ATOM 48 HG21 VAL A 28 22.117 -35.578 9.566 1.00 0.00 H ATOM 49 HG22 VAL A 28 21.555 -36.759 10.775 1.00 0.00 H ATOM 50 HG23 VAL A 28 20.963 -36.852 9.097 1.00 0.00 H ATOM 51 H VAL A 28 22.431 -33.761 10.638 1.00 0.00 H ATOM 52 N ARG A 29 19.936 -35.587 13.365 1.00 34.93 N ATOM 53 CA ARG A 29 20.176 -36.274 14.600 1.00 36.95 C ATOM 54 C ARG A 29 19.708 -37.725 14.447 1.00 34.97 C ATOM 55 O ARG A 29 18.493 -37.990 14.491 1.00 35.00 O ATOM 56 CB ARG A 29 19.399 -35.632 15.749 1.00 39.07 C ATOM 57 CG ARG A 29 19.754 -36.186 17.106 1.00 43.48 C ATOM 58 CD ARG A 29 19.015 -35.473 18.240 1.00 49.57 C ATOM 59 NE ARG A 29 19.413 -34.069 18.331 1.00 54.53 N ATOM 60 CZ ARG A 29 20.421 -33.626 19.092 1.00 58.13 C ATOM 61 NH1 ARG A 29 21.144 -34.467 19.841 1.00 57.73 N ATOM 62 NH2 ARG A 29 20.719 -32.336 19.099 1.00 60.14 N ATOM 63 HA ARG A 29 21.241 -36.222 14.828 1.00 0.00 H ATOM 64 HB2 ARG A 29 19.606 -34.562 15.749 1.00 0.00 H ATOM 65 HB3 ARG A 29 18.335 -35.795 15.578 1.00 0.00 H ATOM 66 HG2 ARG A 29 19.495 -37.245 17.131 1.00 0.00 H ATOM 67 HG3 ARG A 29 20.827 -36.072 17.261 1.00 0.00 H ATOM 68 HD2 ARG A 29 19.245 -35.970 19.182 1.00 0.00 H ATOM 69 HD3 ARG A 29 17.942 -35.527 18.055 1.00 0.00 H ATOM 70 HE ARG A 29 18.881 -33.373 17.771 1.00 0.00 H ATOM 71 HH12 ARG A 29 21.923 -34.104 20.426 1.00 0.00 H ATOM 72 HH11 ARG A 29 20.926 -35.484 19.838 1.00 0.00 H ATOM 73 HH22 ARG A 29 21.501 -31.986 19.688 1.00 0.00 H ATOM 74 HH21 ARG A 29 20.171 -31.673 18.515 1.00 0.00 H ATOM 75 H ARG A 29 18.959 -35.507 13.019 1.00 0.00 H ATOM 76 N PRO A 30 20.655 -38.666 14.289 1.00 33.28 N ATOM 77 CA PRO A 30 20.229 -40.082 14.277 1.00 31.67 C ATOM 78 C PRO A 30 19.511 -40.501 15.551 1.00 32.49 C ATOM 79 O PRO A 30 19.873 -40.072 16.685 1.00 34.71 O ATOM 80 CB PRO A 30 21.563 -40.853 14.153 1.00 30.98 C ATOM 81 CG PRO A 30 22.452 -39.863 13.431 1.00 33.82 C ATOM 82 CD PRO A 30 22.099 -38.537 14.098 1.00 33.84 C ATOM 83 HA PRO A 30 19.517 -40.274 13.474 1.00 0.00 H ATOM 84 HD3 PRO A 30 22.616 -38.423 15.051 1.00 0.00 H ATOM 85 HD2 PRO A 30 22.339 -37.692 13.452 1.00 0.00 H ATOM 86 HG3 PRO A 30 22.227 -39.838 12.365 1.00 0.00 H ATOM 87 HG2 PRO A 30 23.505 -40.105 13.573 1.00 0.00 H ATOM 88 HB2 PRO A 30 21.967 -41.102 15.135 1.00 0.00 H ATOM 89 HB3 PRO A 30 21.437 -41.766 13.571 1.00 0.00 H ATOM 90 N LYS A 31 18.467 -41.308 15.401 1.00 31.52 N ATOM 91 CA LYS A 31 17.819 -41.956 16.541 1.00 32.79 C ATOM 92 C LYS A 31 18.796 -42.963 17.183 1.00 31.99 C ATOM 93 O LYS A 31 19.816 -43.319 16.591 1.00 31.75 O ATOM 94 CB LYS A 31 16.525 -42.652 16.101 1.00 32.95 C ATOM 95 CG LYS A 31 15.401 -41.643 15.685 1.00 31.05 C ATOM 96 CD LYS A 31 14.252 -42.305 14.953 1.00 37.98 C ATOM 97 CE LYS A 31 13.270 -43.049 15.837 1.00 42.62 C ATOM 98 NZ LYS A 31 12.087 -43.569 15.056 1.00 35.67 N ATOM 99 HA LYS A 31 17.554 -41.201 17.281 1.00 0.00 H ATOM 100 HB2 LYS A 31 16.748 -43.295 15.250 1.00 0.00 H ATOM 101 HB3 LYS A 31 16.158 -43.260 16.928 1.00 0.00 H ATOM 102 HG2 LYS A 31 15.011 -41.166 16.585 1.00 0.00 H ATOM 103 HG3 LYS A 31 15.837 -40.886 15.034 1.00 0.00 H ATOM 104 HD2 LYS A 31 13.704 -41.532 14.415 1.00 0.00 H ATOM 105 HD3 LYS A 31 14.670 -43.015 14.240 1.00 0.00 H ATOM 106 HE2 LYS A 31 12.910 -42.372 16.612 1.00 0.00 H ATOM 107 HE3 LYS A 31 13.783 -43.891 16.302 1.00 0.00 H ATOM 108 HZ1 LYS A 31 11.587 -42.771 14.614 1.00 0.00 H ATOM 109 HZ2 LYS A 31 12.420 -44.222 14.318 1.00 0.00 H ATOM 110 HZ3 LYS A 31 11.442 -44.071 15.699 1.00 0.00 H ATOM 111 H LYS A 31 18.099 -41.484 14.444 1.00 0.00 H ATOM 112 N PRO A 32 18.490 -43.408 18.392 1.00 35.04 N ATOM 113 CA PRO A 32 19.537 -44.118 19.127 1.00 34.07 C ATOM 114 C PRO A 32 20.182 -45.344 18.460 1.00 32.24 C ATOM 115 O PRO A 32 21.437 -45.512 18.545 1.00 31.71 O ATOM 116 CB PRO A 32 18.844 -44.476 20.465 1.00 35.59 C ATOM 117 CG PRO A 32 17.861 -43.329 20.669 1.00 38.07 C ATOM 118 CD PRO A 32 17.321 -43.087 19.257 1.00 36.92 C ATOM 119 HA PRO A 32 20.414 -43.477 19.212 1.00 0.00 H ATOM 120 HD3 PRO A 32 16.480 -43.746 19.040 1.00 0.00 H ATOM 121 HD2 PRO A 32 17.011 -42.050 19.128 1.00 0.00 H ATOM 122 HG3 PRO A 32 18.366 -42.443 21.053 1.00 0.00 H ATOM 123 HG2 PRO A 32 17.061 -43.615 21.352 1.00 0.00 H ATOM 124 HB2 PRO A 32 18.322 -45.430 20.392 1.00 0.00 H ATOM 125 HB3 PRO A 32 19.567 -44.521 21.280 1.00 0.00 H ATOM 126 N LEU A 33 19.405 -46.180 17.782 1.00 29.77 N ATOM 127 CA LEU A 33 19.992 -47.399 17.227 1.00 30.25 C ATOM 128 C LEU A 33 20.784 -47.076 15.923 1.00 28.58 C ATOM 129 O LEU A 33 21.772 -47.753 15.611 1.00 27.99 O ATOM 130 CB LEU A 33 18.930 -48.486 16.913 1.00 30.44 C ATOM 131 CG LEU A 33 18.453 -49.339 18.080 1.00 33.37 C ATOM 132 CD1 LEU A 33 17.631 -50.495 17.607 1.00 30.65 C ATOM 133 CD2 LEU A 33 19.634 -49.857 18.941 1.00 34.76 C ATOM 134 HA LEU A 33 20.662 -47.793 17.991 1.00 0.00 H ATOM 135 HB2 LEU A 33 18.058 -47.984 16.494 1.00 0.00 H ATOM 136 HB3 LEU A 33 19.355 -49.157 16.167 1.00 0.00 H ATOM 137 HG LEU A 33 17.833 -48.694 18.703 1.00 0.00 H ATOM 138 HD21 LEU A 33 20.294 -50.464 18.322 1.00 0.00 H ATOM 139 HD22 LEU A 33 20.189 -49.009 19.343 1.00 0.00 H ATOM 140 HD23 LEU A 33 19.246 -50.461 19.762 1.00 0.00 H ATOM 141 HD11 LEU A 33 16.759 -50.123 17.069 1.00 0.00 H ATOM 142 HD12 LEU A 33 18.231 -51.118 16.943 1.00 0.00 H ATOM 143 HD13 LEU A 33 17.306 -51.084 18.465 1.00 0.00 H ATOM 144 H LEU A 33 18.395 -45.971 17.648 1.00 0.00 H ATOM 145 N LEU A 34 20.314 -46.053 15.180 1.00 27.12 N ATOM 146 CA LEU A 34 21.125 -45.627 14.036 1.00 27.02 C ATOM 147 C LEU A 34 22.460 -45.040 14.566 1.00 27.60 C ATOM 148 O LEU A 34 23.540 -45.281 14.029 1.00 28.40 O ATOM 149 CB LEU A 34 20.349 -44.602 13.160 1.00 27.51 C ATOM 150 CG LEU A 34 21.232 -44.112 11.998 1.00 29.14 C ATOM 151 CD1 LEU A 34 21.684 -45.255 11.093 1.00 29.72 C ATOM 152 CD2 LEU A 34 20.474 -43.086 11.169 1.00 29.41 C ATOM 153 HA LEU A 34 21.345 -46.482 13.396 1.00 0.00 H ATOM 154 HB2 LEU A 34 19.455 -45.078 12.756 1.00 0.00 H ATOM 155 HB3 LEU A 34 20.059 -43.750 13.775 1.00 0.00 H ATOM 156 HG LEU A 34 22.122 -43.661 12.437 1.00 0.00 H ATOM 157 HD21 LEU A 34 19.570 -43.542 10.767 1.00 0.00 H ATOM 158 HD22 LEU A 34 20.205 -42.238 11.799 1.00 0.00 H ATOM 159 HD23 LEU A 34 21.106 -42.745 10.349 1.00 0.00 H ATOM 160 HD11 LEU A 34 22.260 -45.973 11.677 1.00 0.00 H ATOM 161 HD12 LEU A 34 20.810 -45.748 10.669 1.00 0.00 H ATOM 162 HD13 LEU A 34 22.304 -44.857 10.289 1.00 0.00 H ATOM 163 H LEU A 34 19.414 -45.586 15.409 1.00 0.00 H ATOM 164 N LEU A 35 22.377 -44.164 15.563 1.00 28.93 N ATOM 165 CA LEU A 35 23.611 -43.652 16.147 1.00 28.33 C ATOM 166 C LEU A 35 24.575 -44.759 16.560 1.00 29.72 C ATOM 167 O LEU A 35 25.773 -44.710 16.256 1.00 28.69 O ATOM 168 CB LEU A 35 23.295 -42.735 17.346 1.00 30.51 C ATOM 169 CG LEU A 35 24.530 -41.980 17.873 1.00 34.07 C ATOM 170 CD1 LEU A 35 25.000 -40.947 16.876 1.00 32.32 C ATOM 171 CD2 LEU A 35 24.161 -41.294 19.191 1.00 37.68 C ATOM 172 HA LEU A 35 24.113 -43.074 15.371 1.00 0.00 H ATOM 173 HB2 LEU A 35 22.548 -42.004 17.037 1.00 0.00 H ATOM 174 HB3 LEU A 35 22.891 -43.346 18.153 1.00 0.00 H ATOM 175 HG LEU A 35 25.341 -42.691 18.030 1.00 0.00 H ATOM 176 HD21 LEU A 35 23.344 -40.593 19.018 1.00 0.00 H ATOM 177 HD22 LEU A 35 23.849 -42.046 19.916 1.00 0.00 H ATOM 178 HD23 LEU A 35 25.028 -40.756 19.574 1.00 0.00 H ATOM 179 HD11 LEU A 35 25.264 -41.440 15.941 1.00 0.00 H ATOM 180 HD12 LEU A 35 24.201 -40.228 16.696 1.00 0.00 H ATOM 181 HD13 LEU A 35 25.873 -40.430 17.275 1.00 0.00 H ATOM 182 H LEU A 35 21.451 -43.851 15.919 1.00 0.00 H ATOM 183 N LYS A 36 24.043 -45.787 17.220 1.00 29.58 N ATOM 184 CA LYS A 36 24.914 -46.948 17.579 1.00 32.09 C ATOM 185 C LYS A 36 25.569 -47.564 16.352 1.00 30.02 C ATOM 186 O LYS A 36 26.792 -47.847 16.335 1.00 32.58 O ATOM 187 CB LYS A 36 24.131 -47.988 18.365 1.00 34.94 C ATOM 188 CG LYS A 36 24.984 -49.250 18.731 1.00 41.93 C ATOM 189 CD LYS A 36 24.181 -50.323 19.519 1.00 50.16 C ATOM 190 CE LYS A 36 23.157 -51.051 18.625 1.00 52.55 C ATOM 191 NZ LYS A 36 22.509 -52.310 19.212 1.00 52.29 N ATOM 192 HA LYS A 36 25.715 -46.573 18.216 1.00 0.00 H ATOM 193 HB2 LYS A 36 23.774 -47.530 19.288 1.00 0.00 H ATOM 194 HB3 LYS A 36 23.278 -48.307 17.766 1.00 0.00 H ATOM 195 HG2 LYS A 36 25.352 -49.700 17.809 1.00 0.00 H ATOM 196 HG3 LYS A 36 25.830 -48.932 19.341 1.00 0.00 H ATOM 197 HD2 LYS A 36 24.878 -51.056 19.925 1.00 0.00 H ATOM 198 HD3 LYS A 36 23.651 -49.836 20.337 1.00 0.00 H ATOM 199 HE2 LYS A 36 23.666 -51.338 17.705 1.00 0.00 H ATOM 200 HE3 LYS A 36 22.359 -50.345 18.393 1.00 0.00 H ATOM 201 HZ1 LYS A 36 23.247 -53.010 19.427 1.00 0.00 H ATOM 202 HZ2 LYS A 36 22.000 -52.062 20.084 1.00 0.00 H ATOM 203 HZ3 LYS A 36 21.842 -52.709 18.521 1.00 0.00 H ATOM 204 H LYS A 36 23.036 -45.782 17.482 1.00 0.00 H ATOM 205 N LEU A 37 24.774 -47.711 15.276 1.00 28.57 N ATOM 206 CA LEU A 37 25.297 -48.304 14.030 1.00 28.60 C ATOM 207 C LEU A 37 26.439 -47.457 13.450 1.00 29.46 C ATOM 208 O LEU A 37 27.501 -47.996 13.067 1.00 28.03 O ATOM 209 CB LEU A 37 24.137 -48.448 13.014 1.00 25.93 C ATOM 210 CG LEU A 37 24.442 -49.171 11.698 1.00 28.81 C ATOM 211 CD1 LEU A 37 23.156 -49.851 11.052 1.00 26.74 C ATOM 212 CD2 LEU A 37 25.058 -48.169 10.696 1.00 27.48 C ATOM 213 HA LEU A 37 25.709 -49.290 14.247 1.00 0.00 H ATOM 214 HB2 LEU A 37 23.333 -48.993 13.509 1.00 0.00 H ATOM 215 HB3 LEU A 37 23.793 -47.444 12.765 1.00 0.00 H ATOM 216 HG LEU A 37 25.145 -49.972 11.924 1.00 0.00 H ATOM 217 HD21 LEU A 37 24.352 -47.359 10.513 1.00 0.00 H ATOM 218 HD22 LEU A 37 25.980 -47.762 11.112 1.00 0.00 H ATOM 219 HD23 LEU A 37 25.276 -48.682 9.759 1.00 0.00 H ATOM 220 HD11 LEU A 37 22.746 -50.584 11.747 1.00 0.00 H ATOM 221 HD12 LEU A 37 22.407 -49.086 10.845 1.00 0.00 H ATOM 222 HD13 LEU A 37 23.437 -50.347 10.123 1.00 0.00 H ATOM 223 H LEU A 37 23.782 -47.404 15.323 1.00 0.00 H ATOM 224 N LEU A 38 26.235 -46.142 13.375 1.00 26.96 N ATOM 225 CA LEU A 38 27.243 -45.262 12.785 1.00 27.49 C ATOM 226 C LEU A 38 28.518 -45.255 13.653 1.00 28.31 C ATOM 227 O LEU A 38 29.614 -45.254 13.125 1.00 28.67 O ATOM 228 CB LEU A 38 26.705 -43.811 12.674 1.00 26.92 C ATOM 229 CG LEU A 38 25.434 -43.725 11.749 1.00 26.07 C ATOM 230 CD1 LEU A 38 24.900 -42.291 11.862 1.00 30.39 C ATOM 231 CD2 LEU A 38 25.678 -44.136 10.287 1.00 28.83 C ATOM 232 HA LEU A 38 27.476 -45.638 11.789 1.00 0.00 H ATOM 233 HB2 LEU A 38 26.441 -43.456 13.670 1.00 0.00 H ATOM 234 HB3 LEU A 38 27.487 -43.176 12.258 1.00 0.00 H ATOM 235 HG LEU A 38 24.700 -44.453 12.093 1.00 0.00 H ATOM 236 HD21 LEU A 38 26.434 -43.484 9.849 1.00 0.00 H ATOM 237 HD22 LEU A 38 26.025 -45.169 10.254 1.00 0.00 H ATOM 238 HD23 LEU A 38 24.748 -44.045 9.725 1.00 0.00 H ATOM 239 HD11 LEU A 38 24.639 -42.083 12.900 1.00 0.00 H ATOM 240 HD12 LEU A 38 25.668 -41.592 11.532 1.00 0.00 H ATOM 241 HD13 LEU A 38 24.015 -42.184 11.235 1.00 0.00 H ATOM 242 H LEU A 38 25.349 -45.737 13.740 1.00 0.00 H ATOM 243 N LYS A 39 28.328 -45.215 14.952 1.00 27.31 N ATOM 244 CA LYS A 39 29.500 -45.188 15.840 1.00 31.10 C ATOM 245 C LYS A 39 30.285 -46.484 15.711 1.00 32.08 C ATOM 246 O LYS A 39 31.507 -46.486 15.965 1.00 32.57 O ATOM 247 CB LYS A 39 29.087 -44.977 17.269 1.00 31.21 C ATOM 248 CG LYS A 39 28.662 -43.562 17.548 1.00 34.29 C ATOM 249 CD LYS A 39 28.431 -43.360 19.047 1.00 39.21 C ATOM 250 CE LYS A 39 27.912 -41.963 19.304 1.00 46.12 C ATOM 251 NZ LYS A 39 28.894 -40.976 18.880 1.00 50.51 N ATOM 252 HA LYS A 39 30.135 -44.354 15.540 1.00 0.00 H ATOM 253 HB2 LYS A 39 28.253 -45.642 17.493 1.00 0.00 H ATOM 254 HB3 LYS A 39 29.930 -45.222 17.916 1.00 0.00 H ATOM 255 HG2 LYS A 39 29.441 -42.879 17.209 1.00 0.00 H ATOM 256 HG3 LYS A 39 27.737 -43.352 17.010 1.00 0.00 H ATOM 257 HD2 LYS A 39 27.701 -44.088 19.402 1.00 0.00 H ATOM 258 HD3 LYS A 39 29.371 -43.500 19.580 1.00 0.00 H ATOM 259 HE2 LYS A 39 27.716 -41.842 20.369 1.00 0.00 H ATOM 260 HE3 LYS A 39 26.987 -41.814 18.746 1.00 0.00 H ATOM 261 HZ1 LYS A 39 29.776 -41.115 19.413 1.00 0.00 H ATOM 262 HZ2 LYS A 39 29.080 -41.089 17.863 1.00 0.00 H ATOM 263 HZ3 LYS A 39 28.525 -40.021 19.062 1.00 0.00 H ATOM 264 H LYS A 39 27.366 -45.203 15.346 1.00 0.00 H ATOM 265 N SER A 40 29.620 -47.569 15.288 1.00 30.80 N ATOM 266 CA SER A 40 30.349 -48.843 15.229 1.00 31.51 C ATOM 267 C SER A 40 31.432 -48.846 14.134 1.00 32.38 C ATOM 268 O SER A 40 32.344 -49.720 14.141 1.00 32.24 O ATOM 269 CB SER A 40 29.382 -50.033 15.033 1.00 31.43 C ATOM 270 OG SER A 40 28.867 -50.097 13.692 1.00 28.44 O ATOM 271 HA SER A 40 30.853 -48.958 16.189 1.00 0.00 H ATOM 272 HB2 SER A 40 28.547 -49.926 15.726 1.00 0.00 H ATOM 273 HB3 SER A 40 29.915 -50.959 15.250 1.00 0.00 H ATOM 274 HG SER A 40 28.375 -49.262 13.489 1.00 0.00 H ATOM 275 H SER A 40 28.619 -47.510 15.010 1.00 0.00 H ATOM 276 N VAL A 41 31.308 -47.895 13.191 1.00 28.04 N ATOM 277 CA VAL A 41 32.222 -47.817 12.071 1.00 28.74 C ATOM 278 C VAL A 41 32.976 -46.499 12.085 1.00 30.63 C ATOM 279 O VAL A 41 33.535 -46.097 11.074 1.00 31.59 O ATOM 280 CB VAL A 41 31.557 -48.067 10.714 1.00 27.97 C ATOM 281 CG1 VAL A 41 31.224 -49.579 10.607 1.00 29.73 C ATOM 282 CG2 VAL A 41 30.324 -47.184 10.597 1.00 27.27 C ATOM 283 HA VAL A 41 32.934 -48.632 12.200 1.00 0.00 H ATOM 284 HB VAL A 41 32.218 -47.809 9.886 1.00 0.00 H ATOM 285 HG11 VAL A 41 32.144 -50.159 10.686 1.00 0.00 H ATOM 286 HG12 VAL A 41 30.546 -49.858 11.414 1.00 0.00 H ATOM 287 HG13 VAL A 41 30.749 -49.778 9.646 1.00 0.00 H ATOM 288 HG21 VAL A 41 29.627 -47.427 11.399 1.00 0.00 H ATOM 289 HG22 VAL A 41 30.619 -46.138 10.675 1.00 0.00 H ATOM 290 HG23 VAL A 41 29.845 -47.357 9.633 1.00 0.00 H ATOM 291 H VAL A 41 30.538 -47.200 13.268 1.00 0.00 H ATOM 292 N GLY A 42 33.035 -45.883 13.269 1.00 31.45 N ATOM 293 CA GLY A 42 33.991 -44.774 13.462 1.00 34.32 C ATOM 294 C GLY A 42 33.425 -43.378 13.623 1.00 35.90 C ATOM 295 O GLY A 42 34.188 -42.420 13.795 1.00 35.90 O ATOM 296 HA3 GLY A 42 34.653 -44.760 12.596 1.00 0.00 H ATOM 297 HA2 GLY A 42 34.571 -44.996 14.358 1.00 0.00 H ATOM 298 H GLY A 42 32.413 -46.182 14.048 1.00 0.00 H ATOM 299 N ALA A 43 32.098 -43.212 13.460 1.00 34.11 N ATOM 300 CA ALA A 43 31.490 -41.889 13.716 1.00 32.47 C ATOM 301 C ALA A 43 31.629 -41.463 15.198 1.00 36.82 C ATOM 302 O ALA A 43 31.606 -42.311 16.073 1.00 37.96 O ATOM 303 CB ALA A 43 29.958 -41.970 13.354 1.00 34.07 C ATOM 304 HA ALA A 43 32.009 -41.150 13.105 1.00 0.00 H ATOM 305 HB1 ALA A 43 29.848 -42.235 12.303 1.00 0.00 H ATOM 306 HB2 ALA A 43 29.479 -42.728 13.974 1.00 0.00 H ATOM 307 HB3 ALA A 43 29.491 -41.002 13.536 1.00 0.00 H ATOM 308 H ALA A 43 31.505 -44.010 13.156 1.00 0.00 H ATOM 309 N GLN A 44 31.639 -40.159 15.474 1.00 41.05 N ATOM 310 CA GLN A 44 31.960 -39.659 16.837 1.00 45.66 C ATOM 311 C GLN A 44 30.918 -38.815 17.585 1.00 47.30 C ATOM 312 O GLN A 44 30.910 -38.766 18.819 1.00 49.60 O ATOM 313 CB GLN A 44 33.253 -38.858 16.773 1.00 46.36 C ATOM 314 CG GLN A 44 34.476 -39.672 16.341 1.00 46.59 C ATOM 315 CD GLN A 44 35.742 -39.006 16.848 1.00 45.67 C ATOM 316 OE1 GLN A 44 35.972 -38.950 18.061 1.00 46.54 O ATOM 317 NE2 GLN A 44 36.543 -38.477 15.933 1.00 50.06 N ATOM 318 HA GLN A 44 32.016 -40.577 17.422 1.00 0.00 H ATOM 319 HB2 GLN A 44 33.116 -38.043 16.062 1.00 0.00 H ATOM 320 HB3 GLN A 44 33.449 -38.445 17.763 1.00 0.00 H ATOM 321 HG2 GLN A 44 34.406 -40.678 16.754 1.00 0.00 H ATOM 322 HG3 GLN A 44 34.507 -39.729 15.253 1.00 0.00 H ATOM 323 HE22 GLN A 44 36.302 -38.553 14.924 1.00 0.00 H ATOM 324 HE21 GLN A 44 37.412 -37.986 16.224 1.00 0.00 H ATOM 325 H GLN A 44 31.418 -39.477 14.720 1.00 0.00 H ATOM 326 N LYS A 45 30.068 -38.136 16.824 1.00 47.37 N ATOM 327 CA LYS A 45 29.205 -37.068 17.327 1.00 47.76 C ATOM 328 C LYS A 45 27.766 -37.544 17.525 1.00 45.45 C ATOM 329 O LYS A 45 27.446 -38.701 17.244 1.00 44.88 O ATOM 330 CB LYS A 45 29.223 -35.925 16.297 1.00 49.19 C ATOM 331 CG LYS A 45 30.664 -35.460 15.979 1.00 53.35 C ATOM 332 CD LYS A 45 30.665 -34.148 15.202 1.00 58.02 C ATOM 333 CE LYS A 45 30.903 -34.382 13.712 1.00 61.38 C ATOM 334 NZ LYS A 45 29.661 -34.897 13.035 1.00 62.48 N ATOM 335 HA LYS A 45 29.578 -36.740 18.297 1.00 0.00 H ATOM 336 HB2 LYS A 45 28.753 -36.272 15.377 1.00 0.00 H ATOM 337 HB3 LYS A 45 28.660 -35.081 16.696 1.00 0.00 H ATOM 338 HG2 LYS A 45 31.206 -35.320 16.914 1.00 0.00 H ATOM 339 HG3 LYS A 45 31.161 -36.226 15.384 1.00 0.00 H ATOM 340 HD2 LYS A 45 29.701 -33.657 15.334 1.00 0.00 H ATOM 341 HD3 LYS A 45 31.455 -33.506 15.591 1.00 0.00 H ATOM 342 HE2 LYS A 45 31.703 -35.112 13.590 1.00 0.00 H ATOM 343 HE3 LYS A 45 31.197 -33.441 13.247 1.00 0.00 H ATOM 344 HZ1 LYS A 45 29.378 -35.798 13.471 1.00 0.00 H ATOM 345 HZ2 LYS A 45 28.895 -34.202 13.144 1.00 0.00 H ATOM 346 HZ3 LYS A 45 29.855 -35.046 12.024 1.00 0.00 H ATOM 347 H LYS A 45 30.013 -38.377 15.814 1.00 0.00 H ATOM 348 N ASP A 46 26.905 -36.649 17.997 1.00 44.34 N ATOM 349 CA ASP A 46 25.470 -36.930 18.063 1.00 43.68 C ATOM 350 C ASP A 46 24.705 -36.409 16.854 1.00 41.26 C ATOM 351 O ASP A 46 23.561 -36.845 16.621 1.00 40.09 O ATOM 352 CB ASP A 46 24.829 -36.316 19.291 1.00 45.70 C ATOM 353 CG ASP A 46 25.270 -36.987 20.569 1.00 50.40 C ATOM 354 OD1 ASP A 46 25.791 -38.123 20.500 1.00 55.16 O ATOM 355 OD2 ASP A 46 25.092 -36.361 21.633 1.00 57.11 O ATOM 356 HA ASP A 46 25.406 -38.018 18.096 1.00 0.00 H ATOM 357 HB2 ASP A 46 25.101 -35.261 19.338 1.00 0.00 H ATOM 358 HB3 ASP A 46 23.746 -36.407 19.203 1.00 0.00 H ATOM 359 H ASP A 46 27.258 -35.728 18.327 1.00 0.00 H ATOM 360 N THR A 47 25.269 -35.416 16.163 1.00 40.25 N ATOM 361 CA THR A 47 24.549 -34.800 15.021 1.00 40.32 C ATOM 362 C THR A 47 25.509 -34.749 13.838 1.00 38.89 C ATOM 363 O THR A 47 26.748 -34.709 14.006 1.00 38.01 O ATOM 364 CB THR A 47 24.070 -33.359 15.326 1.00 42.52 C ATOM 365 OG1 THR A 47 25.210 -32.545 15.616 1.00 46.06 O ATOM 366 CG2 THR A 47 23.154 -33.333 16.538 1.00 43.23 C ATOM 367 HA THR A 47 23.665 -35.402 14.812 1.00 0.00 H ATOM 368 HB THR A 47 23.526 -32.987 14.458 1.00 0.00 H ATOM 369 HG1 THR A 47 25.686 -32.914 16.402 1.00 0.00 H ATOM 370 HG23 THR A 47 22.276 -33.948 16.341 1.00 0.00 H ATOM 371 HG21 THR A 47 23.687 -33.726 17.404 1.00 0.00 H ATOM 372 HG22 THR A 47 22.844 -32.307 16.736 1.00 0.00 H ATOM 373 H THR A 47 26.215 -35.073 16.426 1.00 0.00 H ATOM 374 N TYR A 48 24.932 -34.790 12.635 1.00 34.68 N ATOM 375 CA TYR A 48 25.725 -35.072 11.443 1.00 33.46 C ATOM 376 C TYR A 48 25.163 -34.359 10.247 1.00 34.42 C ATOM 377 O TYR A 48 23.952 -34.092 10.195 1.00 35.95 O ATOM 378 CB TYR A 48 25.611 -36.580 11.133 1.00 33.38 C ATOM 379 CG TYR A 48 26.287 -37.449 12.164 1.00 33.38 C ATOM 380 CD1 TYR A 48 25.595 -37.893 13.275 1.00 35.74 C ATOM 381 CD2 TYR A 48 27.619 -37.817 12.010 1.00 36.52 C ATOM 382 CE1 TYR A 48 26.204 -38.717 14.222 1.00 36.00 C ATOM 383 CE2 TYR A 48 28.287 -38.626 12.984 1.00 37.27 C ATOM 384 CZ TYR A 48 27.572 -39.051 14.072 1.00 38.71 C ATOM 385 OH TYR A 48 28.169 -39.846 15.026 1.00 40.35 O ATOM 386 HA TYR A 48 26.750 -34.753 11.630 1.00 0.00 H ATOM 387 HB3 TYR A 48 26.070 -36.771 10.163 1.00 0.00 H ATOM 388 HB2 TYR A 48 24.555 -36.847 11.092 1.00 0.00 H ATOM 389 HD2 TYR A 48 28.166 -37.482 11.129 1.00 0.00 H ATOM 390 HE2 TYR A 48 29.336 -38.896 12.863 1.00 0.00 H ATOM 391 HE1 TYR A 48 25.633 -39.099 15.068 1.00 0.00 H ATOM 392 HD1 TYR A 48 24.556 -37.594 13.414 1.00 0.00 H ATOM 393 HH TYR A 48 27.512 -40.058 15.736 1.00 0.00 H ATOM 394 H TYR A 48 23.910 -34.620 12.547 1.00 0.00 H ATOM 395 N THR A 49 26.016 -34.062 9.271 1.00 34.44 N ATOM 396 CA THR A 49 25.472 -33.656 7.954 1.00 34.10 C ATOM 397 C THR A 49 24.961 -34.941 7.310 1.00 31.85 C ATOM 398 O THR A 49 25.369 -36.048 7.710 1.00 31.89 O ATOM 399 CB THR A 49 26.562 -33.080 7.029 1.00 36.78 C ATOM 400 OG1 THR A 49 27.573 -34.070 6.836 1.00 35.59 O ATOM 401 CG2 THR A 49 27.195 -31.771 7.608 1.00 39.83 C ATOM 402 HA THR A 49 24.709 -32.890 8.092 1.00 0.00 H ATOM 403 HB THR A 49 26.100 -32.817 6.077 1.00 0.00 H ATOM 404 HG1 THR A 49 28.278 -33.709 6.242 1.00 0.00 H ATOM 405 HG23 THR A 49 26.414 -31.024 7.751 1.00 0.00 H ATOM 406 HG21 THR A 49 27.669 -31.990 8.565 1.00 0.00 H ATOM 407 HG22 THR A 49 27.941 -31.390 6.910 1.00 0.00 H ATOM 408 H THR A 49 27.043 -34.114 9.429 1.00 0.00 H ATOM 409 N MET A 50 24.082 -34.828 6.318 1.00 28.80 N ATOM 410 CA MET A 50 23.647 -36.041 5.610 1.00 28.88 C ATOM 411 C MET A 50 24.819 -36.684 4.874 1.00 30.34 C ATOM 412 O MET A 50 24.896 -37.913 4.749 1.00 31.99 O ATOM 413 CB MET A 50 22.530 -35.612 4.640 1.00 28.68 C ATOM 414 CG MET A 50 21.878 -36.675 3.843 1.00 29.92 C ATOM 415 SD MET A 50 20.861 -37.755 4.949 1.00 36.02 S ATOM 416 CE MET A 50 19.271 -36.946 4.945 1.00 37.50 C ATOM 417 HA MET A 50 23.274 -36.793 6.305 1.00 0.00 H ATOM 418 HB2 MET A 50 21.755 -35.122 5.229 1.00 0.00 H ATOM 419 HB3 MET A 50 22.961 -34.895 3.941 1.00 0.00 H ATOM 420 HG2 MET A 50 22.641 -37.278 3.351 1.00 0.00 H ATOM 421 HG3 MET A 50 21.234 -36.220 3.090 1.00 0.00 H ATOM 422 HE1 MET A 50 19.379 -35.933 5.332 1.00 0.00 H ATOM 423 HE2 MET A 50 18.887 -36.908 3.926 1.00 0.00 H ATOM 424 HE3 MET A 50 18.579 -37.505 5.575 1.00 0.00 H ATOM 425 H MET A 50 23.708 -33.896 6.047 1.00 0.00 H ATOM 426 N LYS A 51 25.740 -35.873 4.360 1.00 29.40 N ATOM 427 CA LYS A 51 26.937 -36.435 3.776 1.00 32.57 C ATOM 428 C LYS A 51 27.677 -37.427 4.715 1.00 32.62 C ATOM 429 O LYS A 51 28.147 -38.493 4.262 1.00 31.95 O ATOM 430 CB LYS A 51 27.877 -35.273 3.375 1.00 35.25 C ATOM 431 CG LYS A 51 28.899 -35.630 2.368 1.00 42.26 C ATOM 432 CD LYS A 51 29.483 -34.363 1.671 1.00 47.43 C ATOM 433 CE LYS A 51 30.879 -34.695 1.137 1.00 52.53 C ATOM 434 NZ LYS A 51 31.556 -33.560 0.415 1.00 55.13 N ATOM 435 HA LYS A 51 26.639 -37.018 2.904 1.00 0.00 H ATOM 436 HB2 LYS A 51 27.267 -34.466 2.970 1.00 0.00 H ATOM 437 HB3 LYS A 51 28.389 -34.924 4.272 1.00 0.00 H ATOM 438 HG2 LYS A 51 29.709 -36.168 2.860 1.00 0.00 H ATOM 439 HG3 LYS A 51 28.444 -36.272 1.613 1.00 0.00 H ATOM 440 HD2 LYS A 51 28.835 -34.067 0.846 1.00 0.00 H ATOM 441 HD3 LYS A 51 29.550 -33.547 2.390 1.00 0.00 H ATOM 442 HE2 LYS A 51 30.789 -35.533 0.446 1.00 0.00 H ATOM 443 HE3 LYS A 51 31.506 -34.986 1.980 1.00 0.00 H ATOM 444 HZ1 LYS A 51 30.978 -33.276 -0.402 1.00 0.00 H ATOM 445 HZ2 LYS A 51 31.663 -32.753 1.063 1.00 0.00 H ATOM 446 HZ3 LYS A 51 32.493 -33.869 0.087 1.00 0.00 H ATOM 447 H LYS A 51 25.600 -34.843 4.378 1.00 0.00 H ATOM 448 N GLU A 52 27.793 -37.059 5.991 1.00 30.08 N ATOM 449 CA GLU A 52 28.548 -37.877 6.953 1.00 30.05 C ATOM 450 C GLU A 52 27.715 -39.150 7.257 1.00 28.69 C ATOM 451 O GLU A 52 28.239 -40.248 7.336 1.00 28.93 O ATOM 452 CB GLU A 52 28.780 -37.117 8.237 1.00 31.17 C ATOM 453 CG GLU A 52 29.753 -35.927 8.106 1.00 36.08 C ATOM 454 CD GLU A 52 29.904 -35.171 9.418 1.00 44.30 C ATOM 455 OE1 GLU A 52 28.918 -34.575 9.915 1.00 41.04 O ATOM 456 OE2 GLU A 52 31.029 -35.197 9.966 1.00 51.96 O ATOM 457 HA GLU A 52 29.518 -38.135 6.528 1.00 0.00 H ATOM 458 HB2 GLU A 52 27.820 -36.736 8.586 1.00 0.00 H ATOM 459 HB3 GLU A 52 29.185 -37.809 8.975 1.00 0.00 H ATOM 460 HG2 GLU A 52 30.730 -36.302 7.800 1.00 0.00 H ATOM 461 HG3 GLU A 52 29.374 -35.243 7.346 1.00 0.00 H ATOM 462 H GLU A 52 27.342 -36.179 6.312 1.00 0.00 H ATOM 463 N VAL A 53 26.397 -38.986 7.387 1.00 28.32 N ATOM 464 CA VAL A 53 25.565 -40.158 7.614 1.00 27.24 C ATOM 465 C VAL A 53 25.799 -41.162 6.485 1.00 25.82 C ATOM 466 O VAL A 53 25.988 -42.382 6.703 1.00 28.25 O ATOM 467 CB VAL A 53 24.068 -39.792 7.743 1.00 26.16 C ATOM 468 CG1 VAL A 53 23.211 -41.095 7.721 1.00 26.89 C ATOM 469 CG2 VAL A 53 23.764 -38.985 9.008 1.00 27.16 C ATOM 470 HA VAL A 53 25.850 -40.610 8.564 1.00 0.00 H ATOM 471 HB VAL A 53 23.812 -39.158 6.895 1.00 0.00 H ATOM 472 HG11 VAL A 53 23.377 -41.622 6.781 1.00 0.00 H ATOM 473 HG12 VAL A 53 23.503 -41.734 8.554 1.00 0.00 H ATOM 474 HG13 VAL A 53 22.156 -40.836 7.812 1.00 0.00 H ATOM 475 HG21 VAL A 53 24.043 -39.569 9.885 1.00 0.00 H ATOM 476 HG22 VAL A 53 24.335 -38.057 8.991 1.00 0.00 H ATOM 477 HG23 VAL A 53 22.699 -38.757 9.045 1.00 0.00 H ATOM 478 H VAL A 53 25.973 -38.038 7.327 1.00 0.00 H ATOM 479 N LEU A 54 25.724 -40.680 5.253 1.00 25.00 N ATOM 480 CA LEU A 54 25.901 -41.535 4.121 1.00 25.19 C ATOM 481 C LEU A 54 27.288 -42.190 4.087 1.00 26.06 C ATOM 482 O LEU A 54 27.394 -43.374 3.765 1.00 25.58 O ATOM 483 CB LEU A 54 25.687 -40.765 2.838 1.00 25.59 C ATOM 484 CG LEU A 54 24.225 -40.357 2.619 1.00 25.08 C ATOM 485 CD1 LEU A 54 24.122 -39.410 1.352 1.00 22.81 C ATOM 486 CD2 LEU A 54 23.354 -41.618 2.315 1.00 21.19 C ATOM 487 HA LEU A 54 25.158 -42.327 4.213 1.00 0.00 H ATOM 488 HB2 LEU A 54 26.299 -39.863 2.868 1.00 0.00 H ATOM 489 HB3 LEU A 54 26.003 -41.389 2.002 1.00 0.00 H ATOM 490 HG LEU A 54 23.875 -39.853 3.520 1.00 0.00 H ATOM 491 HD21 LEU A 54 23.727 -42.108 1.416 1.00 0.00 H ATOM 492 HD22 LEU A 54 23.411 -42.309 3.156 1.00 0.00 H ATOM 493 HD23 LEU A 54 22.318 -41.314 2.162 1.00 0.00 H ATOM 494 HD11 LEU A 54 24.727 -38.518 1.516 1.00 0.00 H ATOM 495 HD12 LEU A 54 24.486 -39.941 0.473 1.00 0.00 H ATOM 496 HD13 LEU A 54 23.082 -39.122 1.199 1.00 0.00 H ATOM 497 H LEU A 54 25.534 -39.668 5.108 1.00 0.00 H ATOM 498 N PHE A 55 28.316 -41.412 4.418 1.00 27.14 N ATOM 499 CA PHE A 55 29.658 -42.009 4.418 1.00 27.96 C ATOM 500 C PHE A 55 29.726 -43.191 5.409 1.00 28.03 C ATOM 501 O PHE A 55 30.223 -44.284 5.068 1.00 27.81 O ATOM 502 CB PHE A 55 30.678 -41.006 4.828 1.00 29.88 C ATOM 503 CG PHE A 55 32.045 -41.609 4.997 1.00 30.30 C ATOM 504 CD1 PHE A 55 32.809 -41.950 3.886 1.00 38.68 C ATOM 505 CD2 PHE A 55 32.501 -41.929 6.270 1.00 32.72 C ATOM 506 CE1 PHE A 55 34.105 -42.564 4.065 1.00 38.70 C ATOM 507 CE2 PHE A 55 33.742 -42.527 6.418 1.00 36.64 C ATOM 508 CZ PHE A 55 34.529 -42.836 5.311 1.00 37.39 C ATOM 509 HA PHE A 55 29.861 -42.357 3.405 1.00 0.00 H ATOM 510 HB2 PHE A 55 30.730 -40.229 4.065 1.00 0.00 H ATOM 511 HB3 PHE A 55 30.372 -40.563 5.776 1.00 0.00 H ATOM 512 HD2 PHE A 55 31.888 -41.711 7.144 1.00 0.00 H ATOM 513 HE2 PHE A 55 34.109 -42.760 7.418 1.00 0.00 H ATOM 514 HZ PHE A 55 35.502 -43.305 5.457 1.00 0.00 H ATOM 515 HE1 PHE A 55 34.729 -42.803 3.203 1.00 0.00 H ATOM 516 HD1 PHE A 55 32.431 -41.755 2.882 1.00 0.00 H ATOM 517 H PHE A 55 28.173 -40.413 4.669 1.00 0.00 H ATOM 518 N TYR A 56 29.235 -42.963 6.620 1.00 25.15 N ATOM 519 CA TYR A 56 29.281 -44.088 7.595 1.00 25.99 C ATOM 520 C TYR A 56 28.372 -45.256 7.261 1.00 25.92 C ATOM 521 O TYR A 56 28.718 -46.381 7.549 1.00 24.04 O ATOM 522 CB TYR A 56 29.057 -43.619 9.028 1.00 25.88 C ATOM 523 CG TYR A 56 30.164 -42.644 9.507 1.00 31.96 C ATOM 524 CD1 TYR A 56 31.475 -43.084 9.756 1.00 41.03 C ATOM 525 CD2 TYR A 56 29.833 -41.307 9.790 1.00 38.82 C ATOM 526 CE1 TYR A 56 32.469 -42.153 10.212 1.00 44.52 C ATOM 527 CE2 TYR A 56 30.797 -40.395 10.264 1.00 41.62 C ATOM 528 CZ TYR A 56 32.085 -40.812 10.467 1.00 45.10 C ATOM 529 OH TYR A 56 32.969 -39.840 10.950 1.00 47.79 O ATOM 530 HA TYR A 56 30.298 -44.472 7.510 1.00 0.00 H ATOM 531 HB3 TYR A 56 29.047 -44.489 9.685 1.00 0.00 H ATOM 532 HB2 TYR A 56 28.094 -43.112 9.085 1.00 0.00 H ATOM 533 HD2 TYR A 56 28.808 -40.968 9.639 1.00 0.00 H ATOM 534 HE2 TYR A 56 30.518 -39.361 10.468 1.00 0.00 H ATOM 535 HE1 TYR A 56 33.501 -42.472 10.360 1.00 0.00 H ATOM 536 HD1 TYR A 56 31.737 -44.131 9.603 1.00 0.00 H ATOM 537 HH TYR A 56 33.018 -39.090 10.305 1.00 0.00 H ATOM 538 H TYR A 56 28.835 -42.038 6.878 1.00 0.00 H ATOM 539 N LEU A 57 27.200 -45.003 6.654 1.00 25.37 N ATOM 540 CA LEU A 57 26.402 -46.149 6.199 1.00 24.69 C ATOM 541 C LEU A 57 27.147 -46.949 5.151 1.00 25.60 C ATOM 542 O LEU A 57 27.122 -48.180 5.163 1.00 23.85 O ATOM 543 CB LEU A 57 25.046 -45.689 5.599 1.00 22.73 C ATOM 544 CG LEU A 57 24.098 -45.122 6.645 1.00 24.90 C ATOM 545 CD1 LEU A 57 22.895 -44.465 5.935 1.00 25.98 C ATOM 546 CD2 LEU A 57 23.620 -46.330 7.491 1.00 30.00 C ATOM 547 HA LEU A 57 26.218 -46.773 7.074 1.00 0.00 H ATOM 548 HB2 LEU A 57 25.239 -44.920 4.851 1.00 0.00 H ATOM 549 HB3 LEU A 57 24.568 -46.545 5.123 1.00 0.00 H ATOM 550 HG LEU A 57 24.580 -44.369 7.269 1.00 0.00 H ATOM 551 HD21 LEU A 57 23.111 -47.046 6.845 1.00 0.00 H ATOM 552 HD22 LEU A 57 24.481 -46.808 7.958 1.00 0.00 H ATOM 553 HD23 LEU A 57 22.933 -45.982 8.263 1.00 0.00 H ATOM 554 HD11 LEU A 57 23.250 -43.663 5.288 1.00 0.00 H ATOM 555 HD12 LEU A 57 22.375 -45.213 5.336 1.00 0.00 H ATOM 556 HD13 LEU A 57 22.213 -44.057 6.681 1.00 0.00 H ATOM 557 H LEU A 57 26.869 -44.028 6.511 1.00 0.00 H ATOM 558 N GLY A 58 27.830 -46.246 4.249 1.00 25.36 N ATOM 559 CA GLY A 58 28.658 -46.915 3.224 1.00 26.09 C ATOM 560 C GLY A 58 29.786 -47.750 3.855 1.00 26.86 C ATOM 561 O GLY A 58 30.044 -48.907 3.456 1.00 27.28 O ATOM 562 HA3 GLY A 58 29.100 -46.157 2.577 1.00 0.00 H ATOM 563 HA2 GLY A 58 28.022 -47.572 2.630 1.00 0.00 H ATOM 564 H GLY A 58 27.780 -45.207 4.266 1.00 0.00 H ATOM 565 N GLN A 59 30.420 -47.160 4.865 1.00 28.48 N ATOM 566 CA GLN A 59 31.482 -47.838 5.612 1.00 27.88 C ATOM 567 C GLN A 59 30.963 -49.108 6.268 1.00 27.58 C ATOM 568 O GLN A 59 31.678 -50.147 6.284 1.00 26.40 O ATOM 569 CB GLN A 59 32.092 -46.916 6.691 1.00 32.10 C ATOM 570 CG GLN A 59 33.154 -45.967 6.196 1.00 38.17 C ATOM 571 CD GLN A 59 34.351 -46.671 5.544 1.00 37.35 C ATOM 572 OE1 GLN A 59 34.443 -46.671 4.346 1.00 43.46 O ATOM 573 NE2 GLN A 59 35.198 -47.307 6.332 1.00 42.49 N ATOM 574 HA GLN A 59 32.260 -48.098 4.894 1.00 0.00 H ATOM 575 HB2 GLN A 59 31.286 -46.324 7.125 1.00 0.00 H ATOM 576 HB3 GLN A 59 32.535 -47.546 7.463 1.00 0.00 H ATOM 577 HG2 GLN A 59 32.704 -45.299 5.461 1.00 0.00 H ATOM 578 HG3 GLN A 59 33.516 -45.383 7.042 1.00 0.00 H ATOM 579 HE22 GLN A 59 35.073 -47.275 7.364 1.00 0.00 H ATOM 580 HE21 GLN A 59 35.991 -47.840 5.921 1.00 0.00 H ATOM 581 H GLN A 59 30.154 -46.191 5.132 1.00 0.00 H ATOM 582 N TYR A 60 29.730 -49.040 6.815 1.00 25.35 N ATOM 583 CA TYR A 60 29.127 -50.175 7.477 1.00 25.39 C ATOM 584 C TYR A 60 28.813 -51.312 6.490 1.00 25.93 C ATOM 585 O TYR A 60 29.138 -52.497 6.742 1.00 27.70 O ATOM 586 CB TYR A 60 27.845 -49.702 8.190 1.00 25.36 C ATOM 587 CG TYR A 60 27.139 -50.738 9.008 1.00 26.26 C ATOM 588 CD1 TYR A 60 27.463 -50.937 10.363 1.00 27.69 C ATOM 589 CD2 TYR A 60 26.161 -51.551 8.431 1.00 24.70 C ATOM 590 CE1 TYR A 60 26.775 -51.880 11.133 1.00 27.83 C ATOM 591 CE2 TYR A 60 25.486 -52.495 9.201 1.00 23.03 C ATOM 592 CZ TYR A 60 25.802 -52.652 10.532 1.00 26.56 C ATOM 593 OH TYR A 60 25.140 -53.596 11.297 1.00 27.52 O ATOM 594 HA TYR A 60 29.833 -50.577 8.204 1.00 0.00 H ATOM 595 HB3 TYR A 60 27.151 -49.345 7.430 1.00 0.00 H ATOM 596 HB2 TYR A 60 28.113 -48.878 8.851 1.00 0.00 H ATOM 597 HD2 TYR A 60 25.925 -51.446 7.372 1.00 0.00 H ATOM 598 HE2 TYR A 60 24.707 -53.110 8.750 1.00 0.00 H ATOM 599 HE1 TYR A 60 27.004 -52.003 12.192 1.00 0.00 H ATOM 600 HD1 TYR A 60 28.260 -50.349 10.818 1.00 0.00 H ATOM 601 HH TYR A 60 25.490 -53.573 12.223 1.00 0.00 H ATOM 602 H TYR A 60 29.200 -48.147 6.758 1.00 0.00 H ATOM 603 N ILE A 61 28.206 -50.962 5.350 1.00 23.51 N ATOM 604 CA ILE A 61 27.882 -51.971 4.374 1.00 25.27 C ATOM 605 C ILE A 61 29.171 -52.650 3.858 1.00 26.33 C ATOM 606 O ILE A 61 29.223 -53.870 3.660 1.00 28.98 O ATOM 607 CB ILE A 61 27.132 -51.316 3.182 1.00 23.04 C ATOM 608 CG1 ILE A 61 25.721 -50.950 3.669 1.00 23.63 C ATOM 609 CG2 ILE A 61 27.028 -52.305 2.003 1.00 29.26 C ATOM 610 CD1 ILE A 61 25.038 -49.916 2.747 1.00 25.38 C ATOM 611 HA ILE A 61 27.247 -52.724 4.841 1.00 0.00 H ATOM 612 HB ILE A 61 27.670 -50.432 2.839 1.00 0.00 H ATOM 613 HG12 ILE A 61 25.112 -51.854 3.695 1.00 0.00 H ATOM 614 HG13 ILE A 61 25.793 -50.533 4.673 1.00 0.00 H ATOM 615 HD11 ILE A 61 25.635 -49.005 2.720 1.00 0.00 H ATOM 616 HD12 ILE A 61 24.955 -50.327 1.741 1.00 0.00 H ATOM 617 HD13 ILE A 61 24.044 -49.689 3.132 1.00 0.00 H ATOM 618 HG21 ILE A 61 28.029 -52.590 1.680 1.00 0.00 H ATOM 619 HG22 ILE A 61 26.482 -53.193 2.322 1.00 0.00 H ATOM 620 HG23 ILE A 61 26.500 -51.829 1.177 1.00 0.00 H ATOM 621 H ILE A 61 27.969 -49.966 5.169 1.00 0.00 H ATOM 622 N MET A 62 30.205 -51.847 3.645 1.00 28.08 N ATOM 623 CA MET A 62 31.446 -52.359 3.057 1.00 30.05 C ATOM 624 C MET A 62 32.218 -53.204 4.065 1.00 30.83 C ATOM 625 O MET A 62 32.692 -54.292 3.736 1.00 30.90 O ATOM 626 CB MET A 62 32.285 -51.208 2.497 1.00 30.89 C ATOM 627 CG MET A 62 33.613 -51.616 1.912 1.00 33.57 C ATOM 628 SD MET A 62 34.903 -51.767 3.146 1.00 33.57 S ATOM 629 CE MET A 62 35.177 -50.066 3.656 1.00 31.64 C ATOM 630 HA MET A 62 31.197 -53.015 2.223 1.00 0.00 H ATOM 631 HB2 MET A 62 31.707 -50.717 1.715 1.00 0.00 H ATOM 632 HB3 MET A 62 32.474 -50.502 3.305 1.00 0.00 H ATOM 633 HG2 MET A 62 33.916 -50.866 1.181 1.00 0.00 H ATOM 634 HG3 MET A 62 33.493 -52.578 1.415 1.00 0.00 H ATOM 635 HE1 MET A 62 35.488 -49.475 2.794 1.00 0.00 H ATOM 636 HE2 MET A 62 34.253 -49.657 4.064 1.00 0.00 H ATOM 637 HE3 MET A 62 35.956 -50.037 4.418 1.00 0.00 H ATOM 638 H MET A 62 30.134 -50.841 3.899 1.00 0.00 H ATOM 639 N THR A 63 32.279 -52.741 5.312 1.00 29.91 N ATOM 640 CA THR A 63 33.061 -53.454 6.346 1.00 32.16 C ATOM 641 C THR A 63 32.394 -54.772 6.746 1.00 33.39 C ATOM 642 O THR A 63 33.087 -55.767 6.942 1.00 32.85 O ATOM 643 CB THR A 63 33.381 -52.594 7.579 1.00 33.21 C ATOM 644 OG1 THR A 63 32.191 -52.124 8.200 1.00 37.81 O ATOM 645 CG2 THR A 63 34.221 -51.409 7.211 1.00 33.43 C ATOM 646 HA THR A 63 34.021 -53.683 5.883 1.00 0.00 H ATOM 647 HB THR A 63 33.930 -53.231 8.272 1.00 0.00 H ATOM 648 HG1 THR A 63 31.678 -51.575 7.555 1.00 0.00 H ATOM 649 HG23 THR A 63 35.139 -51.750 6.733 1.00 0.00 H ATOM 650 HG21 THR A 63 33.666 -50.772 6.522 1.00 0.00 H ATOM 651 HG22 THR A 63 34.466 -50.846 8.111 1.00 0.00 H ATOM 652 H THR A 63 31.771 -51.868 5.562 1.00 0.00 H ATOM 653 N LYS A 64 31.055 -54.792 6.745 1.00 31.80 N ATOM 654 CA LYS A 64 30.303 -56.026 7.052 1.00 32.59 C ATOM 655 C LYS A 64 30.068 -56.914 5.845 1.00 32.72 C ATOM 656 O LYS A 64 29.524 -58.015 5.959 1.00 32.99 O ATOM 657 CB LYS A 64 29.016 -55.675 7.751 1.00 32.54 C ATOM 658 CG LYS A 64 29.327 -54.911 9.062 1.00 35.71 C ATOM 659 CD LYS A 64 28.213 -55.013 10.023 1.00 34.81 C ATOM 660 CE LYS A 64 28.038 -56.464 10.571 1.00 32.84 C ATOM 661 NZ LYS A 64 26.847 -56.414 11.539 1.00 30.84 N ATOM 662 HA LYS A 64 30.923 -56.624 7.720 1.00 0.00 H ATOM 663 HB2 LYS A 64 28.409 -55.046 7.100 1.00 0.00 H ATOM 664 HB3 LYS A 64 28.469 -56.588 7.984 1.00 0.00 H ATOM 665 HG2 LYS A 64 30.225 -55.333 9.514 1.00 0.00 H ATOM 666 HG3 LYS A 64 29.499 -53.860 8.828 1.00 0.00 H ATOM 667 HD2 LYS A 64 28.408 -54.343 10.860 1.00 0.00 H ATOM 668 HD3 LYS A 64 27.291 -54.712 9.525 1.00 0.00 H ATOM 669 HE2 LYS A 64 28.939 -56.782 11.096 1.00 0.00 H ATOM 670 HE3 LYS A 64 27.832 -57.155 9.753 1.00 0.00 H ATOM 671 HZ1 LYS A 64 27.055 -55.745 12.308 1.00 0.00 H ATOM 672 HZ2 LYS A 64 25.998 -56.102 11.026 1.00 0.00 H ATOM 673 HZ3 LYS A 64 26.685 -57.361 11.936 1.00 0.00 H ATOM 674 H LYS A 64 30.533 -53.920 6.523 1.00 0.00 H ATOM 675 N ARG A 65 30.487 -56.441 4.683 1.00 30.07 N ATOM 676 CA ARG A 65 30.320 -57.168 3.396 1.00 31.73 C ATOM 677 C ARG A 65 28.862 -57.539 3.175 1.00 31.99 C ATOM 678 O ARG A 65 28.548 -58.687 2.905 1.00 33.82 O ATOM 679 CB ARG A 65 31.157 -58.456 3.401 1.00 33.99 C ATOM 680 CG ARG A 65 32.654 -58.188 3.454 1.00 41.74 C ATOM 681 CD ARG A 65 33.106 -57.608 2.116 1.00 51.98 C ATOM 682 NE ARG A 65 34.568 -57.614 2.011 1.00 58.89 N ATOM 683 CZ ARG A 65 35.369 -56.706 2.581 1.00 63.30 C ATOM 684 NH1 ARG A 65 34.865 -55.693 3.286 1.00 63.31 N ATOM 685 NH2 ARG A 65 36.687 -56.801 2.442 1.00 66.15 N ATOM 686 HA ARG A 65 30.654 -56.510 2.594 1.00 0.00 H ATOM 687 HB2 ARG A 65 30.878 -59.049 4.272 1.00 0.00 H ATOM 688 HB3 ARG A 65 30.936 -59.019 2.494 1.00 0.00 H ATOM 689 HG2 ARG A 65 32.870 -57.477 4.252 1.00 0.00 H ATOM 690 HG3 ARG A 65 33.185 -59.120 3.646 1.00 0.00 H ATOM 691 HD2 ARG A 65 32.746 -56.583 2.031 1.00 0.00 H ATOM 692 HD3 ARG A 65 32.687 -58.207 1.307 1.00 0.00 H ATOM 693 HE ARG A 65 35.012 -58.374 1.457 1.00 0.00 H ATOM 694 HH12 ARG A 65 35.501 -54.996 3.723 1.00 0.00 H ATOM 695 HH11 ARG A 65 33.835 -55.600 3.399 1.00 0.00 H ATOM 696 HH22 ARG A 65 37.309 -56.095 2.885 1.00 0.00 H ATOM 697 HH21 ARG A 65 37.097 -57.581 1.890 1.00 0.00 H ATOM 698 H ARG A 65 30.957 -55.513 4.668 1.00 0.00 H ATOM 699 N LEU A 66 27.966 -56.566 3.302 1.00 27.08 N ATOM 700 CA LEU A 66 26.554 -56.868 3.195 1.00 26.75 C ATOM 701 C LEU A 66 26.107 -56.882 1.744 1.00 28.03 C ATOM 702 O LEU A 66 24.992 -57.257 1.435 1.00 29.53 O ATOM 703 CB LEU A 66 25.722 -55.812 3.950 1.00 27.63 C ATOM 704 CG LEU A 66 26.054 -55.739 5.456 1.00 28.19 C ATOM 705 CD1 LEU A 66 25.115 -54.742 6.111 1.00 32.33 C ATOM 706 CD2 LEU A 66 25.790 -57.157 6.078 1.00 30.27 C ATOM 707 HA LEU A 66 26.397 -57.854 3.632 1.00 0.00 H ATOM 708 HB2 LEU A 66 25.914 -54.836 3.505 1.00 0.00 H ATOM 709 HB3 LEU A 66 24.666 -56.059 3.839 1.00 0.00 H ATOM 710 HG LEU A 66 27.090 -55.436 5.609 1.00 0.00 H ATOM 711 HD21 LEU A 66 24.744 -57.426 5.934 1.00 0.00 H ATOM 712 HD22 LEU A 66 26.427 -57.892 5.586 1.00 0.00 H ATOM 713 HD23 LEU A 66 26.017 -57.133 7.144 1.00 0.00 H ATOM 714 HD11 LEU A 66 25.250 -53.762 5.653 1.00 0.00 H ATOM 715 HD12 LEU A 66 24.085 -55.070 5.973 1.00 0.00 H ATOM 716 HD13 LEU A 66 25.338 -54.680 7.176 1.00 0.00 H ATOM 717 H LEU A 66 28.278 -55.590 3.478 1.00 0.00 H ATOM 718 N TYR A 67 27.003 -56.492 0.839 1.00 28.83 N ATOM 719 CA TYR A 67 26.605 -56.455 -0.582 1.00 28.17 C ATOM 720 C TYR A 67 26.821 -57.762 -1.321 1.00 31.98 C ATOM 721 O TYR A 67 27.568 -58.625 -0.865 1.00 30.77 O ATOM 722 CB TYR A 67 27.301 -55.307 -1.287 1.00 30.09 C ATOM 723 CG TYR A 67 28.819 -55.425 -1.219 1.00 32.72 C ATOM 724 CD1 TYR A 67 29.504 -56.165 -2.177 1.00 37.46 C ATOM 725 CD2 TYR A 67 29.565 -54.804 -0.170 1.00 33.25 C ATOM 726 CE1 TYR A 67 30.904 -56.291 -2.128 1.00 41.45 C ATOM 727 CE2 TYR A 67 30.954 -54.908 -0.159 1.00 34.68 C ATOM 728 CZ TYR A 67 31.607 -55.657 -1.126 1.00 41.94 C ATOM 729 OH TYR A 67 32.977 -55.778 -1.091 1.00 43.03 O ATOM 730 HA TYR A 67 25.527 -56.295 -0.595 1.00 0.00 H ATOM 731 HB3 TYR A 67 27.000 -54.371 -0.816 1.00 0.00 H ATOM 732 HB2 TYR A 67 26.996 -55.300 -2.333 1.00 0.00 H ATOM 733 HD2 TYR A 67 29.050 -54.252 0.617 1.00 0.00 H ATOM 734 HE2 TYR A 67 31.530 -54.398 0.613 1.00 0.00 H ATOM 735 HE1 TYR A 67 31.429 -56.885 -2.876 1.00 0.00 H ATOM 736 HD1 TYR A 67 28.948 -56.654 -2.977 1.00 0.00 H ATOM 737 HH TYR A 67 33.277 -56.342 -1.848 1.00 0.00 H ATOM 738 H TYR A 67 27.964 -56.219 1.128 1.00 0.00 H ATOM 739 N ASP A 68 26.154 -57.890 -2.482 1.00 33.52 N ATOM 740 CA ASP A 68 26.196 -59.073 -3.317 1.00 34.22 C ATOM 741 C ASP A 68 27.499 -58.981 -4.106 1.00 34.05 C ATOM 742 O ASP A 68 27.742 -57.979 -4.814 1.00 33.82 O ATOM 743 CB ASP A 68 24.988 -59.096 -4.244 1.00 33.19 C ATOM 744 CG ASP A 68 24.905 -60.375 -5.089 1.00 34.88 C ATOM 745 OD1 ASP A 68 23.833 -60.924 -5.219 1.00 38.28 O ATOM 746 OD2 ASP A 68 25.910 -60.840 -5.610 1.00 37.04 O ATOM 747 HA ASP A 68 26.162 -59.992 -2.731 1.00 0.00 H ATOM 748 HB2 ASP A 68 24.084 -59.019 -3.639 1.00 0.00 H ATOM 749 HB3 ASP A 68 25.048 -58.239 -4.915 1.00 0.00 H ATOM 750 H ASP A 68 25.572 -57.089 -2.800 1.00 0.00 H ATOM 751 N GLU A 69 28.362 -59.968 -3.925 1.00 33.68 N ATOM 752 CA GLU A 69 29.716 -59.894 -4.536 1.00 36.29 C ATOM 753 C GLU A 69 29.608 -59.804 -6.089 1.00 37.72 C ATOM 754 O GLU A 69 30.460 -59.179 -6.761 1.00 37.66 O ATOM 755 CB GLU A 69 30.517 -61.124 -4.139 1.00 38.49 C ATOM 756 CG GLU A 69 31.901 -61.256 -4.845 1.00 60.06 C ATOM 757 CD GLU A 69 32.910 -60.143 -4.498 1.00 58.71 C ATOM 758 OE1 GLU A 69 32.913 -59.640 -3.350 1.00 62.56 O ATOM 759 OE2 GLU A 69 33.727 -59.785 -5.379 1.00 56.20 O ATOM 760 HA GLU A 69 30.222 -58.999 -4.174 1.00 0.00 H ATOM 761 HB2 GLU A 69 30.687 -61.086 -3.063 1.00 0.00 H ATOM 762 HB3 GLU A 69 29.926 -62.007 -4.382 1.00 0.00 H ATOM 763 HG2 GLU A 69 32.338 -62.213 -4.559 1.00 0.00 H ATOM 764 HG3 GLU A 69 31.736 -61.241 -5.922 1.00 0.00 H ATOM 765 H GLU A 69 28.093 -60.796 -3.355 1.00 0.00 H ATOM 766 N LYS A 70 28.565 -60.406 -6.633 1.00 36.29 N ATOM 767 CA LYS A 70 28.432 -60.462 -8.124 1.00 38.95 C ATOM 768 C LYS A 70 27.583 -59.330 -8.696 1.00 39.52 C ATOM 769 O LYS A 70 27.712 -58.983 -9.872 1.00 39.05 O ATOM 770 CB LYS A 70 27.857 -61.816 -8.559 1.00 40.42 C ATOM 771 CG LYS A 70 28.903 -62.946 -8.347 1.00 45.52 C ATOM 772 CD LYS A 70 28.368 -64.306 -8.744 1.00 52.84 C ATOM 773 CE LYS A 70 29.353 -65.406 -8.369 1.00 55.50 C ATOM 774 NZ LYS A 70 28.693 -66.742 -8.445 1.00 60.10 N ATOM 775 HA LYS A 70 29.437 -60.338 -8.526 1.00 0.00 H ATOM 776 HB2 LYS A 70 26.968 -62.035 -7.968 1.00 0.00 H ATOM 777 HB3 LYS A 70 27.588 -61.769 -9.614 1.00 0.00 H ATOM 778 HG2 LYS A 70 29.784 -62.726 -8.950 1.00 0.00 H ATOM 779 HG3 LYS A 70 29.182 -62.973 -7.294 1.00 0.00 H ATOM 780 HD2 LYS A 70 27.423 -64.482 -8.231 1.00 0.00 H ATOM 781 HD3 LYS A 70 28.204 -64.325 -9.821 1.00 0.00 H ATOM 782 HE2 LYS A 70 29.710 -65.238 -7.353 1.00 0.00 H ATOM 783 HE3 LYS A 70 30.198 -65.382 -9.058 1.00 0.00 H ATOM 784 HZ1 LYS A 70 27.888 -66.768 -7.787 1.00 0.00 H ATOM 785 HZ2 LYS A 70 28.354 -66.905 -9.415 1.00 0.00 H ATOM 786 HZ3 LYS A 70 29.378 -67.481 -8.186 1.00 0.00 H ATOM 787 H LYS A 70 27.839 -60.840 -6.028 1.00 0.00 H ATOM 788 N GLN A 71 26.665 -58.790 -7.875 1.00 36.81 N ATOM 789 CA GLN A 71 25.919 -57.613 -8.277 1.00 34.73 C ATOM 790 C GLN A 71 26.124 -56.538 -7.195 1.00 35.64 C ATOM 791 O GLN A 71 25.316 -56.456 -6.252 1.00 31.46 O ATOM 792 CB GLN A 71 24.435 -57.955 -8.383 1.00 34.38 C ATOM 793 CG GLN A 71 24.109 -58.957 -9.520 1.00 33.11 C ATOM 794 CD GLN A 71 22.642 -59.226 -9.596 1.00 33.20 C ATOM 795 OE1 GLN A 71 21.936 -58.677 -10.478 1.00 33.10 O ATOM 796 NE2 GLN A 71 22.152 -60.073 -8.686 1.00 26.72 N ATOM 797 HA GLN A 71 26.264 -57.254 -9.247 1.00 0.00 H ATOM 798 HB2 GLN A 71 24.113 -58.390 -7.437 1.00 0.00 H ATOM 799 HB3 GLN A 71 23.881 -57.034 -8.565 1.00 0.00 H ATOM 800 HG2 GLN A 71 24.444 -58.540 -10.470 1.00 0.00 H ATOM 801 HG3 GLN A 71 24.634 -59.894 -9.331 1.00 0.00 H ATOM 802 HE22 GLN A 71 22.784 -60.499 -7.978 1.00 0.00 H ATOM 803 HE21 GLN A 71 21.139 -60.307 -8.686 1.00 0.00 H ATOM 804 H GLN A 71 26.489 -59.220 -6.945 1.00 0.00 H ATOM 805 N GLN A 72 27.174 -55.725 -7.315 1.00 33.95 N ATOM 806 CA GLN A 72 27.634 -54.996 -6.102 1.00 35.05 C ATOM 807 C GLN A 72 26.757 -53.854 -5.663 1.00 35.82 C ATOM 808 O GLN A 72 26.914 -53.380 -4.543 1.00 37.70 O ATOM 809 CB GLN A 72 29.122 -54.594 -6.210 1.00 35.73 C ATOM 810 CG GLN A 72 29.963 -55.839 -6.253 1.00 36.11 C ATOM 811 CD GLN A 72 31.452 -55.532 -5.986 1.00 46.29 C ATOM 812 OE1 GLN A 72 31.874 -54.362 -5.965 1.00 47.71 O ATOM 813 NE2 GLN A 72 32.224 -56.574 -5.775 1.00 47.17 N ATOM 814 HA GLN A 72 27.537 -55.718 -5.292 1.00 0.00 H ATOM 815 HB2 GLN A 72 29.279 -54.015 -7.120 1.00 0.00 H ATOM 816 HB3 GLN A 72 29.402 -53.993 -5.345 1.00 0.00 H ATOM 817 HG2 GLN A 72 29.604 -56.535 -5.494 1.00 0.00 H ATOM 818 HG3 GLN A 72 29.867 -56.296 -7.238 1.00 0.00 H ATOM 819 HE22 GLN A 72 31.822 -57.533 -5.803 1.00 0.00 H ATOM 820 HE21 GLN A 72 33.237 -56.440 -5.580 1.00 0.00 H ATOM 821 H GLN A 72 27.657 -55.604 -8.228 1.00 0.00 H ATOM 822 N HIS A 73 25.830 -53.422 -6.529 1.00 34.51 N ATOM 823 CA HIS A 73 24.838 -52.409 -6.146 1.00 33.35 C ATOM 824 C HIS A 73 23.850 -52.985 -5.114 1.00 31.95 C ATOM 825 O HIS A 73 23.199 -52.221 -4.363 1.00 34.82 O ATOM 826 CB HIS A 73 24.067 -51.852 -7.357 1.00 33.41 C ATOM 827 CG HIS A 73 24.879 -50.994 -8.295 1.00 35.15 C ATOM 828 ND1 HIS A 73 25.298 -51.433 -9.534 1.00 37.84 N ATOM 829 CD2 HIS A 73 25.282 -49.701 -8.203 1.00 32.75 C ATOM 830 CE1 HIS A 73 25.941 -50.457 -10.152 1.00 39.02 C ATOM 831 NE2 HIS A 73 25.938 -49.392 -9.369 1.00 36.65 N ATOM 832 HA HIS A 73 25.389 -51.580 -5.701 1.00 0.00 H ATOM 833 HB2 HIS A 73 23.675 -52.696 -7.925 1.00 0.00 H ATOM 834 HB3 HIS A 73 23.238 -51.252 -6.982 1.00 0.00 H ATOM 835 HD2 HIS A 73 25.116 -49.031 -7.359 1.00 0.00 H ATOM 836 HE1 HIS A 73 26.397 -50.520 -11.140 1.00 0.00 H ATOM 837 H HIS A 73 25.813 -53.812 -7.493 1.00 0.00 H ATOM 838 N ILE A 74 23.732 -54.307 -5.047 1.00 29.42 N ATOM 839 CA ILE A 74 22.676 -54.931 -4.181 1.00 27.51 C ATOM 840 C ILE A 74 23.186 -55.130 -2.734 1.00 29.47 C ATOM 841 O ILE A 74 24.200 -55.783 -2.501 1.00 30.98 O ATOM 842 CB ILE A 74 22.171 -56.296 -4.747 1.00 29.71 C ATOM 843 CG1 ILE A 74 21.660 -56.089 -6.165 1.00 30.41 C ATOM 844 CG2 ILE A 74 21.131 -56.918 -3.822 1.00 32.19 C ATOM 845 CD1 ILE A 74 21.098 -57.349 -6.730 1.00 30.50 C ATOM 846 HA ILE A 74 21.836 -54.236 -4.176 1.00 0.00 H ATOM 847 HB ILE A 74 22.994 -57.009 -4.791 1.00 0.00 H ATOM 848 HG12 ILE A 74 20.881 -55.327 -6.154 1.00 0.00 H ATOM 849 HG13 ILE A 74 22.485 -55.755 -6.794 1.00 0.00 H ATOM 850 HD11 ILE A 74 21.874 -58.115 -6.749 1.00 0.00 H ATOM 851 HD12 ILE A 74 20.268 -57.686 -6.108 1.00 0.00 H ATOM 852 HD13 ILE A 74 20.743 -57.164 -7.744 1.00 0.00 H ATOM 853 HG21 ILE A 74 21.574 -57.088 -2.841 1.00 0.00 H ATOM 854 HG22 ILE A 74 20.281 -56.242 -3.726 1.00 0.00 H ATOM 855 HG23 ILE A 74 20.796 -57.867 -4.240 1.00 0.00 H ATOM 856 H ILE A 74 24.374 -54.912 -5.597 1.00 0.00 H ATOM 857 N VAL A 75 22.394 -54.628 -1.758 1.00 27.53 N ATOM 858 CA VAL A 75 22.720 -54.819 -0.333 1.00 27.63 C ATOM 859 C VAL A 75 21.712 -55.809 0.284 1.00 30.36 C ATOM 860 O VAL A 75 20.524 -55.605 0.182 1.00 31.63 O ATOM 861 CB VAL A 75 22.611 -53.481 0.433 1.00 27.81 C ATOM 862 CG1 VAL A 75 22.892 -53.659 1.941 1.00 25.42 C ATOM 863 CG2 VAL A 75 23.617 -52.407 -0.276 1.00 30.68 C ATOM 864 HA VAL A 75 23.739 -55.199 -0.257 1.00 0.00 H ATOM 865 HB VAL A 75 21.591 -53.101 0.378 1.00 0.00 H ATOM 866 HG11 VAL A 75 22.169 -54.356 2.364 1.00 0.00 H ATOM 867 HG12 VAL A 75 23.900 -54.051 2.078 1.00 0.00 H ATOM 868 HG13 VAL A 75 22.805 -52.695 2.442 1.00 0.00 H ATOM 869 HG21 VAL A 75 24.639 -52.784 -0.231 1.00 0.00 H ATOM 870 HG22 VAL A 75 23.324 -52.269 -1.317 1.00 0.00 H ATOM 871 HG23 VAL A 75 23.557 -51.454 0.249 1.00 0.00 H ATOM 872 H VAL A 75 21.539 -54.097 -2.018 1.00 0.00 H ATOM 873 N TYR A 76 22.226 -56.875 0.917 1.00 29.10 N ATOM 874 CA TYR A 76 21.402 -57.837 1.629 1.00 29.42 C ATOM 875 C TYR A 76 21.544 -57.519 3.144 1.00 29.26 C ATOM 876 O TYR A 76 22.606 -57.773 3.737 1.00 31.20 O ATOM 877 CB TYR A 76 21.830 -59.294 1.382 1.00 32.36 C ATOM 878 CG TYR A 76 21.663 -59.680 -0.040 1.00 34.85 C ATOM 879 CD1 TYR A 76 20.419 -59.558 -0.661 1.00 34.67 C ATOM 880 CD2 TYR A 76 22.743 -60.167 -0.782 1.00 34.82 C ATOM 881 CE1 TYR A 76 20.255 -59.927 -2.064 1.00 32.98 C ATOM 882 CE2 TYR A 76 22.594 -60.502 -2.115 1.00 35.51 C ATOM 883 CZ TYR A 76 21.395 -60.369 -2.742 1.00 36.46 C ATOM 884 OH TYR A 76 21.298 -60.716 -4.076 1.00 38.42 O ATOM 885 HA TYR A 76 20.375 -57.749 1.274 1.00 0.00 H ATOM 886 HB3 TYR A 76 21.220 -59.952 2.001 1.00 0.00 H ATOM 887 HB2 TYR A 76 22.878 -59.406 1.658 1.00 0.00 H ATOM 888 HD2 TYR A 76 23.715 -60.284 -0.303 1.00 0.00 H ATOM 889 HE2 TYR A 76 23.452 -60.879 -2.672 1.00 0.00 H ATOM 890 HE1 TYR A 76 19.287 -59.861 -2.561 1.00 0.00 H ATOM 891 HD1 TYR A 76 19.565 -59.185 -0.095 1.00 0.00 H ATOM 892 HH TYR A 76 20.371 -60.565 -4.388 1.00 0.00 H ATOM 893 H TYR A 76 23.256 -57.018 0.897 1.00 0.00 H ATOM 894 N CYS A 77 20.504 -56.984 3.733 1.00 31.94 N ATOM 895 CA CYS A 77 20.561 -56.493 5.140 1.00 29.31 C ATOM 896 C CYS A 77 19.579 -57.173 6.040 1.00 32.81 C ATOM 897 O CYS A 77 19.345 -56.728 7.175 1.00 34.22 O ATOM 898 CB CYS A 77 20.395 -54.955 5.129 1.00 30.53 C ATOM 899 SG CYS A 77 19.023 -54.326 4.177 1.00 31.14 S ATOM 900 HA CYS A 77 21.533 -56.748 5.563 1.00 0.00 H ATOM 901 HB2 CYS A 77 21.310 -54.523 4.723 1.00 0.00 H ATOM 902 HB3 CYS A 77 20.266 -54.625 6.160 1.00 0.00 H ATOM 903 HG CYS A 77 17.844 -54.837 4.679 1.00 0.00 H ATOM 904 H CYS A 77 19.612 -56.899 3.204 1.00 0.00 H ATOM 905 N SER A 78 19.010 -58.290 5.571 1.00 32.02 N ATOM 906 CA SER A 78 18.196 -59.129 6.445 1.00 38.81 C ATOM 907 C SER A 78 19.192 -59.689 7.453 1.00 39.15 C ATOM 908 O SER A 78 20.386 -59.792 7.154 1.00 43.79 O ATOM 909 CB SER A 78 17.488 -60.260 5.670 1.00 38.78 C ATOM 910 OG SER A 78 18.355 -60.752 4.653 1.00 47.35 O ATOM 911 HA SER A 78 17.390 -58.566 6.916 1.00 0.00 H ATOM 912 HB2 SER A 78 16.576 -59.874 5.215 1.00 0.00 H ATOM 913 HB3 SER A 78 17.236 -61.069 6.356 1.00 0.00 H ATOM 914 HG SER A 78 18.583 -60.016 4.031 1.00 0.00 H ATOM 915 H SER A 78 19.149 -58.562 4.577 1.00 0.00 H ATOM 916 N ASN A 79 18.722 -60.002 8.632 1.00 40.81 N ATOM 917 CA ASN A 79 19.632 -60.570 9.637 1.00 39.53 C ATOM 918 C ASN A 79 20.713 -59.603 10.084 1.00 33.71 C ATOM 919 O ASN A 79 21.706 -60.032 10.665 1.00 35.08 O ATOM 920 CB ASN A 79 20.263 -61.879 9.119 1.00 41.47 C ATOM 921 CG ASN A 79 19.215 -63.034 9.039 1.00 46.48 C ATOM 922 OD1 ASN A 79 18.123 -62.912 9.571 1.00 52.34 O ATOM 923 ND2 ASN A 79 19.561 -64.118 8.382 1.00 51.91 N ATOM 924 HA ASN A 79 19.023 -60.782 10.516 1.00 0.00 H ATOM 925 HB2 ASN A 79 20.673 -61.704 8.124 1.00 0.00 H ATOM 926 HB3 ASN A 79 21.065 -62.176 9.794 1.00 0.00 H ATOM 927 HD22 ASN A 79 20.502 -64.182 7.943 1.00 0.00 H ATOM 928 HD21 ASN A 79 18.894 -64.912 8.301 1.00 0.00 H ATOM 929 H ASN A 79 17.718 -59.851 8.856 1.00 0.00 H ATOM 930 N ASP A 80 20.518 -58.285 9.837 1.00 29.41 N ATOM 931 CA ASP A 80 21.452 -57.307 10.328 1.00 28.18 C ATOM 932 C ASP A 80 20.650 -56.104 10.826 1.00 28.31 C ATOM 933 O ASP A 80 19.524 -55.821 10.327 1.00 29.17 O ATOM 934 CB ASP A 80 22.367 -56.825 9.166 1.00 27.52 C ATOM 935 CG ASP A 80 23.494 -55.994 9.618 1.00 28.10 C ATOM 936 OD1 ASP A 80 24.612 -56.578 9.811 1.00 30.01 O ATOM 937 OD2 ASP A 80 23.326 -54.766 9.819 1.00 29.17 O ATOM 938 HA ASP A 80 22.061 -57.741 11.121 1.00 0.00 H ATOM 939 HB2 ASP A 80 22.766 -57.700 8.654 1.00 0.00 H ATOM 940 HB3 ASP A 80 21.764 -56.242 8.470 1.00 0.00 H ATOM 941 H ASP A 80 19.689 -57.979 9.289 1.00 0.00 H ATOM 942 N LEU A 81 21.215 -55.428 11.798 1.00 26.57 N ATOM 943 CA LEU A 81 20.600 -54.195 12.363 1.00 28.69 C ATOM 944 C LEU A 81 20.229 -53.213 11.223 1.00 27.88 C ATOM 945 O LEU A 81 19.179 -52.575 11.291 1.00 26.12 O ATOM 946 CB LEU A 81 21.538 -53.503 13.323 1.00 28.70 C ATOM 947 CG LEU A 81 21.071 -52.190 13.987 1.00 31.70 C ATOM 948 CD1 LEU A 81 19.700 -52.392 14.736 1.00 26.78 C ATOM 949 CD2 LEU A 81 22.146 -51.652 14.918 1.00 35.35 C ATOM 950 HA LEU A 81 19.702 -54.493 12.904 1.00 0.00 H ATOM 951 HB2 LEU A 81 21.759 -54.209 14.124 1.00 0.00 H ATOM 952 HB3 LEU A 81 22.453 -53.280 12.775 1.00 0.00 H ATOM 953 HG LEU A 81 20.906 -51.448 13.206 1.00 0.00 H ATOM 954 HD21 LEU A 81 22.354 -52.388 15.695 1.00 0.00 H ATOM 955 HD22 LEU A 81 23.054 -51.457 14.348 1.00 0.00 H ATOM 956 HD23 LEU A 81 21.798 -50.726 15.376 1.00 0.00 H ATOM 957 HD11 LEU A 81 18.941 -52.712 14.022 1.00 0.00 H ATOM 958 HD12 LEU A 81 19.818 -53.152 15.508 1.00 0.00 H ATOM 959 HD13 LEU A 81 19.396 -51.451 15.194 1.00 0.00 H ATOM 960 H LEU A 81 22.120 -55.763 12.186 1.00 0.00 H ATOM 961 N LEU A 82 21.068 -53.104 10.196 1.00 26.79 N ATOM 962 CA LEU A 82 20.735 -52.130 9.083 1.00 24.53 C ATOM 963 C LEU A 82 19.393 -52.478 8.516 1.00 26.64 C ATOM 964 O LEU A 82 18.552 -51.578 8.236 1.00 24.80 O ATOM 965 CB LEU A 82 21.794 -52.185 8.006 1.00 23.44 C ATOM 966 CG LEU A 82 21.555 -51.238 6.804 1.00 24.89 C ATOM 967 CD1 LEU A 82 21.493 -49.729 7.270 1.00 28.32 C ATOM 968 CD2 LEU A 82 22.661 -51.460 5.756 1.00 26.84 C ATOM 969 HA LEU A 82 20.708 -51.115 9.480 1.00 0.00 H ATOM 970 HB2 LEU A 82 22.751 -51.923 8.458 1.00 0.00 H ATOM 971 HB3 LEU A 82 21.840 -53.206 7.628 1.00 0.00 H ATOM 972 HG LEU A 82 20.590 -51.469 6.352 1.00 0.00 H ATOM 973 HD21 LEU A 82 23.632 -51.246 6.203 1.00 0.00 H ATOM 974 HD22 LEU A 82 22.636 -52.496 5.417 1.00 0.00 H ATOM 975 HD23 LEU A 82 22.496 -50.795 4.909 1.00 0.00 H ATOM 976 HD11 LEU A 82 20.676 -49.603 7.981 1.00 0.00 H ATOM 977 HD12 LEU A 82 22.436 -49.458 7.745 1.00 0.00 H ATOM 978 HD13 LEU A 82 21.324 -49.089 6.404 1.00 0.00 H ATOM 979 H LEU A 82 21.936 -53.676 10.158 1.00 0.00 H ATOM 980 N GLY A 83 19.123 -53.776 8.309 1.00 26.73 N ATOM 981 CA GLY A 83 17.811 -54.111 7.729 1.00 25.14 C ATOM 982 C GLY A 83 16.663 -53.868 8.703 1.00 24.89 C ATOM 983 O GLY A 83 15.545 -53.518 8.270 1.00 26.25 O ATOM 984 HA3 GLY A 83 17.812 -55.163 7.445 1.00 0.00 H ATOM 985 HA2 GLY A 83 17.653 -53.497 6.842 1.00 0.00 H ATOM 986 H GLY A 83 19.813 -54.516 8.549 1.00 0.00 H ATOM 987 N ASP A 84 16.906 -54.148 9.990 1.00 25.69 N ATOM 988 CA ASP A 84 15.919 -53.878 11.035 1.00 24.62 C ATOM 989 C ASP A 84 15.533 -52.361 10.971 1.00 26.13 C ATOM 990 O ASP A 84 14.323 -52.026 10.825 1.00 28.19 O ATOM 991 CB ASP A 84 16.451 -54.156 12.452 1.00 28.72 C ATOM 992 CG ASP A 84 16.957 -55.576 12.664 1.00 36.15 C ATOM 993 OD1 ASP A 84 16.466 -56.427 11.893 1.00 41.07 O ATOM 994 OD2 ASP A 84 17.836 -55.815 13.620 1.00 37.88 O ATOM 995 HA ASP A 84 15.071 -54.539 10.854 1.00 0.00 H ATOM 996 HB2 ASP A 84 17.273 -53.467 12.650 1.00 0.00 H ATOM 997 HB3 ASP A 84 15.645 -53.971 13.162 1.00 0.00 H ATOM 998 H ASP A 84 17.820 -54.568 10.253 1.00 0.00 H ATOM 999 N LEU A 85 16.533 -51.492 11.002 1.00 21.04 N ATOM 1000 CA LEU A 85 16.266 -50.043 10.961 1.00 22.37 C ATOM 1001 C LEU A 85 15.657 -49.554 9.656 1.00 22.78 C ATOM 1002 O LEU A 85 14.765 -48.732 9.694 1.00 23.00 O ATOM 1003 CB LEU A 85 17.522 -49.230 11.253 1.00 23.59 C ATOM 1004 CG LEU A 85 18.274 -49.607 12.552 1.00 22.62 C ATOM 1005 CD1 LEU A 85 19.512 -48.703 12.699 1.00 25.33 C ATOM 1006 CD2 LEU A 85 17.334 -49.393 13.771 1.00 28.62 C ATOM 1007 HA LEU A 85 15.524 -49.886 11.744 1.00 0.00 H ATOM 1008 HB2 LEU A 85 18.209 -49.361 10.417 1.00 0.00 H ATOM 1009 HB3 LEU A 85 17.234 -48.181 11.324 1.00 0.00 H ATOM 1010 HG LEU A 85 18.583 -50.651 12.508 1.00 0.00 H ATOM 1011 HD21 LEU A 85 17.031 -48.347 13.815 1.00 0.00 H ATOM 1012 HD22 LEU A 85 16.452 -50.024 13.663 1.00 0.00 H ATOM 1013 HD23 LEU A 85 17.862 -49.658 14.687 1.00 0.00 H ATOM 1014 HD11 LEU A 85 20.168 -48.845 11.840 1.00 0.00 H ATOM 1015 HD12 LEU A 85 19.196 -47.661 12.747 1.00 0.00 H ATOM 1016 HD13 LEU A 85 20.045 -48.965 13.613 1.00 0.00 H ATOM 1017 H LEU A 85 17.513 -51.835 11.056 1.00 0.00 H ATOM 1018 N PHE A 86 16.188 -50.017 8.530 1.00 22.80 N ATOM 1019 CA PHE A 86 15.656 -49.613 7.197 1.00 21.52 C ATOM 1020 C PHE A 86 14.269 -50.169 6.922 1.00 25.60 C ATOM 1021 O PHE A 86 13.529 -49.604 6.108 1.00 26.57 O ATOM 1022 CB PHE A 86 16.644 -49.986 6.076 1.00 20.72 C ATOM 1023 CG PHE A 86 17.712 -48.895 5.837 1.00 24.04 C ATOM 1024 CD1 PHE A 86 17.925 -47.916 6.763 1.00 27.68 C ATOM 1025 CD2 PHE A 86 18.489 -48.911 4.670 1.00 26.70 C ATOM 1026 CE1 PHE A 86 18.884 -46.892 6.564 1.00 26.89 C ATOM 1027 CE2 PHE A 86 19.468 -47.901 4.441 1.00 23.89 C ATOM 1028 CZ PHE A 86 19.639 -46.882 5.431 1.00 26.55 C ATOM 1029 HA PHE A 86 15.551 -48.528 7.215 1.00 0.00 H ATOM 1030 HB2 PHE A 86 17.147 -50.914 6.348 1.00 0.00 H ATOM 1031 HB3 PHE A 86 16.084 -50.135 5.153 1.00 0.00 H ATOM 1032 HD2 PHE A 86 18.343 -49.701 3.933 1.00 0.00 H ATOM 1033 HE2 PHE A 86 20.072 -47.905 3.534 1.00 0.00 H ATOM 1034 HZ PHE A 86 20.377 -46.094 5.277 1.00 0.00 H ATOM 1035 HE1 PHE A 86 19.017 -46.114 7.316 1.00 0.00 H ATOM 1036 HD1 PHE A 86 17.340 -47.922 7.683 1.00 0.00 H ATOM 1037 H PHE A 86 16.992 -50.675 8.579 1.00 0.00 H ATOM 1038 N GLY A 87 13.933 -51.311 7.520 1.00 26.89 N ATOM 1039 CA GLY A 87 12.578 -51.868 7.366 1.00 28.63 C ATOM 1040 C GLY A 87 12.491 -52.664 6.090 1.00 26.41 C ATOM 1041 O GLY A 87 11.348 -52.930 5.588 1.00 27.92 O ATOM 1042 HA3 GLY A 87 11.854 -51.054 7.334 1.00 0.00 H ATOM 1043 HA2 GLY A 87 12.356 -52.517 8.213 1.00 0.00 H ATOM 1044 H GLY A 87 14.634 -51.814 8.101 1.00 0.00 H ATOM 1045 N VAL A 88 13.635 -53.074 5.545 1.00 25.87 N ATOM 1046 CA VAL A 88 13.683 -53.911 4.334 1.00 24.93 C ATOM 1047 C VAL A 88 14.733 -55.021 4.426 1.00 26.85 C ATOM 1048 O VAL A 88 15.722 -54.860 5.125 1.00 26.38 O ATOM 1049 CB VAL A 88 13.919 -53.069 3.054 1.00 25.33 C ATOM 1050 CG1 VAL A 88 12.962 -51.903 3.068 1.00 29.46 C ATOM 1051 CG2 VAL A 88 15.340 -52.518 3.007 1.00 23.88 C ATOM 1052 HA VAL A 88 12.702 -54.381 4.265 1.00 0.00 H ATOM 1053 HB VAL A 88 13.762 -53.708 2.185 1.00 0.00 H ATOM 1054 HG11 VAL A 88 11.938 -52.275 3.087 1.00 0.00 H ATOM 1055 HG12 VAL A 88 13.145 -51.295 3.954 1.00 0.00 H ATOM 1056 HG13 VAL A 88 13.114 -51.299 2.174 1.00 0.00 H ATOM 1057 HG21 VAL A 88 15.511 -51.883 3.877 1.00 0.00 H ATOM 1058 HG22 VAL A 88 16.050 -53.345 3.014 1.00 0.00 H ATOM 1059 HG23 VAL A 88 15.471 -51.933 2.097 1.00 0.00 H ATOM 1060 H VAL A 88 14.530 -52.792 5.992 1.00 0.00 H ATOM 1061 N PRO A 89 14.550 -56.157 3.700 1.00 28.89 N ATOM 1062 CA PRO A 89 15.587 -57.194 3.709 1.00 28.94 C ATOM 1063 C PRO A 89 16.698 -56.969 2.715 1.00 28.23 C ATOM 1064 O PRO A 89 17.776 -57.638 2.785 1.00 29.08 O ATOM 1065 CB PRO A 89 14.827 -58.474 3.319 1.00 30.37 C ATOM 1066 CG PRO A 89 13.686 -57.998 2.471 1.00 31.40 C ATOM 1067 CD PRO A 89 13.324 -56.596 2.999 1.00 29.30 C ATOM 1068 HA PRO A 89 16.078 -57.220 4.682 1.00 0.00 H ATOM 1069 HD3 PRO A 89 13.083 -55.921 2.177 1.00 0.00 H ATOM 1070 HD2 PRO A 89 12.480 -56.645 3.686 1.00 0.00 H ATOM 1071 HG3 PRO A 89 12.834 -58.672 2.568 1.00 0.00 H ATOM 1072 HG2 PRO A 89 13.988 -57.943 1.425 1.00 0.00 H ATOM 1073 HB2 PRO A 89 15.472 -59.147 2.753 1.00 0.00 H ATOM 1074 HB3 PRO A 89 14.458 -58.988 4.207 1.00 0.00 H ATOM 1075 N SER A 90 16.453 -56.073 1.752 1.00 25.21 N ATOM 1076 CA SER A 90 17.459 -55.768 0.758 1.00 29.01 C ATOM 1077 C SER A 90 17.068 -54.534 -0.028 1.00 27.02 C ATOM 1078 O SER A 90 15.884 -54.125 -0.057 1.00 28.30 O ATOM 1079 CB SER A 90 17.703 -56.933 -0.185 1.00 29.47 C ATOM 1080 OG SER A 90 16.527 -57.648 -0.445 1.00 39.02 O ATOM 1081 HA SER A 90 18.391 -55.576 1.290 1.00 0.00 H ATOM 1082 HB2 SER A 90 18.433 -57.606 0.266 1.00 0.00 H ATOM 1083 HB3 SER A 90 18.098 -56.549 -1.126 1.00 0.00 H ATOM 1084 HG SER A 90 16.727 -58.397 -1.061 1.00 0.00 H ATOM 1085 H SER A 90 15.532 -55.592 1.718 1.00 0.00 H ATOM 1086 N PHE A 91 18.040 -53.979 -0.701 1.00 24.37 N ATOM 1087 CA PHE A 91 17.819 -52.833 -1.566 1.00 26.50 C ATOM 1088 C PHE A 91 19.032 -52.652 -2.486 1.00 29.87 C ATOM 1089 O PHE A 91 20.083 -53.221 -2.266 1.00 31.70 O ATOM 1090 CB PHE A 91 17.600 -51.505 -0.752 1.00 25.72 C ATOM 1091 CG PHE A 91 18.779 -51.073 0.088 1.00 24.43 C ATOM 1092 CD1 PHE A 91 19.643 -50.069 -0.350 1.00 24.33 C ATOM 1093 CD2 PHE A 91 18.974 -51.628 1.358 1.00 28.03 C ATOM 1094 CE1 PHE A 91 20.754 -49.641 0.448 1.00 27.23 C ATOM 1095 CE2 PHE A 91 20.087 -51.243 2.143 1.00 26.11 C ATOM 1096 CZ PHE A 91 20.968 -50.245 1.687 1.00 24.73 C ATOM 1097 HA PHE A 91 16.915 -53.028 -2.143 1.00 0.00 H ATOM 1098 HB2 PHE A 91 17.377 -50.706 -1.460 1.00 0.00 H ATOM 1099 HB3 PHE A 91 16.747 -51.650 -0.089 1.00 0.00 H ATOM 1100 HD2 PHE A 91 18.265 -52.360 1.744 1.00 0.00 H ATOM 1101 HE2 PHE A 91 20.263 -51.722 3.106 1.00 0.00 H ATOM 1102 HZ PHE A 91 21.817 -49.944 2.301 1.00 0.00 H ATOM 1103 HE1 PHE A 91 21.421 -48.856 0.092 1.00 0.00 H ATOM 1104 HD1 PHE A 91 19.470 -49.601 -1.319 1.00 0.00 H ATOM 1105 H PHE A 91 19.000 -54.369 -0.615 1.00 0.00 H ATOM 1106 N SER A 92 18.887 -51.786 -3.454 1.00 30.46 N ATOM 1107 CA SER A 92 20.044 -51.415 -4.331 1.00 32.93 C ATOM 1108 C SER A 92 20.486 -50.005 -4.024 1.00 32.57 C ATOM 1109 O SER A 92 19.665 -49.101 -3.784 1.00 32.86 O ATOM 1110 CB SER A 92 19.671 -51.581 -5.833 1.00 34.48 C ATOM 1111 OG SER A 92 20.615 -50.841 -6.609 1.00 34.83 O ATOM 1112 HA SER A 92 20.877 -52.087 -4.127 1.00 0.00 H ATOM 1113 HB2 SER A 92 18.666 -51.197 -6.009 1.00 0.00 H ATOM 1114 HB3 SER A 92 19.710 -52.635 -6.109 1.00 0.00 H ATOM 1115 HG SER A 92 20.395 -50.933 -7.570 1.00 0.00 H ATOM 1116 H SER A 92 17.957 -51.349 -3.618 1.00 0.00 H ATOM 1117 N VAL A 93 21.798 -49.772 -4.002 1.00 31.45 N ATOM 1118 CA VAL A 93 22.306 -48.417 -3.797 1.00 31.91 C ATOM 1119 C VAL A 93 21.823 -47.407 -4.847 1.00 30.64 C ATOM 1120 O VAL A 93 22.010 -46.179 -4.697 1.00 28.89 O ATOM 1121 CB VAL A 93 23.858 -48.393 -3.733 1.00 33.52 C ATOM 1122 CG1 VAL A 93 24.331 -49.351 -2.715 1.00 34.23 C ATOM 1123 CG2 VAL A 93 24.457 -48.693 -5.093 1.00 35.89 C ATOM 1124 HA VAL A 93 21.893 -48.106 -2.837 1.00 0.00 H ATOM 1125 HB VAL A 93 24.186 -47.394 -3.445 1.00 0.00 H ATOM 1126 HG11 VAL A 93 23.925 -49.075 -1.742 1.00 0.00 H ATOM 1127 HG12 VAL A 93 23.996 -50.354 -2.979 1.00 0.00 H ATOM 1128 HG13 VAL A 93 25.420 -49.329 -2.675 1.00 0.00 H ATOM 1129 HG21 VAL A 93 24.133 -49.681 -5.421 1.00 0.00 H ATOM 1130 HG22 VAL A 93 24.122 -47.943 -5.809 1.00 0.00 H ATOM 1131 HG23 VAL A 93 25.544 -48.670 -5.023 1.00 0.00 H ATOM 1132 H VAL A 93 22.465 -50.560 -4.132 1.00 0.00 H ATOM 1133 N LYS A 94 21.260 -47.905 -5.955 1.00 31.44 N ATOM 1134 CA LYS A 94 20.796 -47.015 -7.015 1.00 35.35 C ATOM 1135 C LYS A 94 19.437 -46.386 -6.648 1.00 34.71 C ATOM 1136 O LYS A 94 19.040 -45.353 -7.182 1.00 35.86 O ATOM 1137 CB LYS A 94 20.628 -47.822 -8.310 1.00 36.09 C ATOM 1138 CG LYS A 94 21.920 -48.227 -9.000 1.00 41.23 C ATOM 1139 CD LYS A 94 22.632 -46.944 -9.468 1.00 50.83 C ATOM 1140 CE LYS A 94 23.662 -47.196 -10.575 1.00 57.20 C ATOM 1141 NZ LYS A 94 24.305 -45.906 -10.959 1.00 61.17 N ATOM 1142 HA LYS A 94 21.531 -46.221 -7.147 1.00 0.00 H ATOM 1143 HB2 LYS A 94 20.076 -48.731 -8.071 1.00 0.00 H ATOM 1144 HB3 LYS A 94 20.048 -47.219 -9.009 1.00 0.00 H ATOM 1145 HG2 LYS A 94 22.557 -48.771 -8.303 1.00 0.00 H ATOM 1146 HG3 LYS A 94 21.698 -48.861 -9.858 1.00 0.00 H ATOM 1147 HD2 LYS A 94 21.882 -46.248 -9.844 1.00 0.00 H ATOM 1148 HD3 LYS A 94 23.143 -46.499 -8.614 1.00 0.00 H ATOM 1149 HE2 LYS A 94 23.164 -47.627 -11.444 1.00 0.00 H ATOM 1150 HE3 LYS A 94 24.423 -47.888 -10.213 1.00 0.00 H ATOM 1151 HZ1 LYS A 94 23.578 -45.247 -11.304 1.00 0.00 H ATOM 1152 HZ2 LYS A 94 24.780 -45.496 -10.129 1.00 0.00 H ATOM 1153 HZ3 LYS A 94 25.004 -46.078 -11.710 1.00 0.00 H ATOM 1154 H LYS A 94 21.152 -48.934 -6.061 1.00 0.00 H ATOM 1155 N GLU A 95 18.794 -46.971 -5.658 1.00 33.26 N ATOM 1156 CA GLU A 95 17.446 -46.525 -5.291 1.00 31.21 C ATOM 1157 C GLU A 95 17.491 -45.333 -4.362 1.00 31.11 C ATOM 1158 O GLU A 95 17.141 -45.463 -3.173 1.00 28.28 O ATOM 1159 CB GLU A 95 16.705 -47.693 -4.676 1.00 31.31 C ATOM 1160 CG GLU A 95 16.521 -48.898 -5.677 1.00 37.71 C ATOM 1161 CD GLU A 95 15.737 -50.043 -5.116 1.00 38.30 C ATOM 1162 OE1 GLU A 95 16.196 -50.718 -4.188 1.00 35.88 O ATOM 1163 OE2 GLU A 95 14.593 -50.299 -5.576 1.00 44.09 O ATOM 1164 HA GLU A 95 16.914 -46.193 -6.183 1.00 0.00 H ATOM 1165 HB2 GLU A 95 17.265 -48.043 -3.809 1.00 0.00 H ATOM 1166 HB3 GLU A 95 15.720 -47.352 -4.357 1.00 0.00 H ATOM 1167 HG2 GLU A 95 16.005 -48.531 -6.564 1.00 0.00 H ATOM 1168 HG3 GLU A 95 17.508 -49.264 -5.958 1.00 0.00 H ATOM 1169 H GLU A 95 19.243 -47.750 -5.136 1.00 0.00 H ATOM 1170 N HIS A 96 17.879 -44.162 -4.848 1.00 30.32 N ATOM 1171 CA HIS A 96 18.052 -42.991 -3.965 1.00 31.99 C ATOM 1172 C HIS A 96 16.834 -42.549 -3.190 1.00 30.76 C ATOM 1173 O HIS A 96 16.950 -42.277 -1.974 1.00 25.75 O ATOM 1174 CB HIS A 96 18.599 -41.725 -4.667 1.00 34.16 C ATOM 1175 CG HIS A 96 19.925 -41.916 -5.311 1.00 39.09 C ATOM 1176 ND1 HIS A 96 20.586 -40.874 -5.963 1.00 45.28 N ATOM 1177 CD2 HIS A 96 20.703 -43.019 -5.440 1.00 42.16 C ATOM 1178 CE1 HIS A 96 21.714 -41.336 -6.462 1.00 45.35 C ATOM 1179 NE2 HIS A 96 21.797 -42.635 -6.198 1.00 44.25 N ATOM 1180 HA HIS A 96 18.787 -43.400 -3.272 1.00 0.00 H ATOM 1181 HB2 HIS A 96 17.886 -41.423 -5.434 1.00 0.00 H ATOM 1182 HB3 HIS A 96 18.689 -40.933 -3.924 1.00 0.00 H ATOM 1183 HD2 HIS A 96 20.507 -44.009 -5.029 1.00 0.00 H ATOM 1184 HE1 HIS A 96 22.457 -40.749 -7.002 1.00 0.00 H ATOM 1185 H HIS A 96 18.064 -44.067 -5.867 1.00 0.00 H ATOM 1186 N ARG A 97 15.658 -42.473 -3.843 1.00 26.46 N ATOM 1187 CA ARG A 97 14.464 -42.010 -3.172 1.00 26.87 C ATOM 1188 C ARG A 97 14.107 -42.936 -1.991 1.00 24.06 C ATOM 1189 O ARG A 97 13.770 -42.517 -0.858 1.00 26.79 O ATOM 1190 CB ARG A 97 13.261 -41.954 -4.133 1.00 25.60 C ATOM 1191 CG ARG A 97 12.058 -41.332 -3.482 1.00 26.22 C ATOM 1192 CD ARG A 97 10.875 -41.180 -4.472 1.00 28.45 C ATOM 1193 NE ARG A 97 10.355 -42.490 -4.866 1.00 29.39 N ATOM 1194 CZ ARG A 97 10.345 -42.978 -6.115 1.00 37.18 C ATOM 1195 NH1 ARG A 97 10.823 -42.278 -7.163 1.00 36.56 N ATOM 1196 NH2 ARG A 97 9.774 -44.159 -6.332 1.00 32.94 N ATOM 1197 HA ARG A 97 14.676 -41.005 -2.806 1.00 0.00 H ATOM 1198 HB2 ARG A 97 13.534 -41.364 -5.008 1.00 0.00 H ATOM 1199 HB3 ARG A 97 13.010 -42.968 -4.444 1.00 0.00 H ATOM 1200 HG2 ARG A 97 11.742 -41.962 -2.650 1.00 0.00 H ATOM 1201 HG3 ARG A 97 12.331 -40.346 -3.106 1.00 0.00 H ATOM 1202 HD2 ARG A 97 11.218 -40.649 -5.360 1.00 0.00 H ATOM 1203 HD3 ARG A 97 10.080 -40.609 -3.994 1.00 0.00 H ATOM 1204 HE ARG A 97 9.961 -43.092 -4.115 1.00 0.00 H ATOM 1205 HH12 ARG A 97 10.799 -42.689 -8.118 1.00 0.00 H ATOM 1206 HH11 ARG A 97 11.216 -41.326 -7.017 1.00 0.00 H ATOM 1207 HH22 ARG A 97 9.754 -44.558 -7.292 1.00 0.00 H ATOM 1208 HH21 ARG A 97 9.348 -44.684 -5.542 1.00 0.00 H ATOM 1209 H ARG A 97 15.608 -42.751 -4.844 1.00 0.00 H ATOM 1210 N LYS A 98 14.245 -44.221 -2.260 1.00 24.97 N ATOM 1211 CA LYS A 98 13.898 -45.198 -1.259 1.00 23.65 C ATOM 1212 C LYS A 98 14.902 -45.119 -0.106 1.00 23.66 C ATOM 1213 O LYS A 98 14.509 -45.153 1.021 1.00 24.43 O ATOM 1214 CB LYS A 98 13.939 -46.592 -1.914 1.00 25.55 C ATOM 1215 CG LYS A 98 13.541 -47.739 -0.975 1.00 32.90 C ATOM 1216 CD LYS A 98 13.876 -49.086 -1.704 1.00 36.47 C ATOM 1217 CE LYS A 98 13.519 -50.343 -0.918 1.00 41.51 C ATOM 1218 NZ LYS A 98 12.030 -50.590 -0.852 1.00 37.74 N ATOM 1219 HA LYS A 98 12.900 -45.009 -0.863 1.00 0.00 H ATOM 1220 HB2 LYS A 98 13.255 -46.592 -2.763 1.00 0.00 H ATOM 1221 HB3 LYS A 98 14.954 -46.775 -2.267 1.00 0.00 H ATOM 1222 HG2 LYS A 98 14.104 -47.670 -0.044 1.00 0.00 H ATOM 1223 HG3 LYS A 98 12.474 -47.689 -0.758 1.00 0.00 H ATOM 1224 HD2 LYS A 98 13.328 -49.108 -2.646 1.00 0.00 H ATOM 1225 HD3 LYS A 98 14.947 -49.105 -1.907 1.00 0.00 H ATOM 1226 HE2 LYS A 98 13.900 -50.239 0.098 1.00 0.00 H ATOM 1227 HE3 LYS A 98 13.993 -51.200 -1.397 1.00 0.00 H ATOM 1228 HZ1 LYS A 98 11.566 -49.783 -0.389 1.00 0.00 H ATOM 1229 HZ2 LYS A 98 11.655 -50.700 -1.816 1.00 0.00 H ATOM 1230 HZ3 LYS A 98 11.847 -51.456 -0.306 1.00 0.00 H ATOM 1231 H LYS A 98 14.602 -44.526 -3.188 1.00 0.00 H ATOM 1232 N ILE A 99 16.202 -44.932 -0.422 1.00 21.23 N ATOM 1233 CA ILE A 99 17.212 -44.824 0.620 1.00 21.73 C ATOM 1234 C ILE A 99 17.004 -43.614 1.542 1.00 22.66 C ATOM 1235 O ILE A 99 17.050 -43.737 2.748 1.00 22.42 O ATOM 1236 CB ILE A 99 18.631 -44.910 0.008 1.00 22.55 C ATOM 1237 CG1 ILE A 99 18.834 -46.316 -0.561 1.00 21.97 C ATOM 1238 CG2 ILE A 99 19.735 -44.465 1.012 1.00 22.97 C ATOM 1239 CD1 ILE A 99 20.077 -46.345 -1.568 1.00 22.86 C ATOM 1240 HA ILE A 99 17.098 -45.680 1.285 1.00 0.00 H ATOM 1241 HB ILE A 99 18.723 -44.200 -0.814 1.00 0.00 H ATOM 1242 HG12 ILE A 99 19.021 -47.010 0.258 1.00 0.00 H ATOM 1243 HG13 ILE A 99 17.934 -46.620 -1.095 1.00 0.00 H ATOM 1244 HD11 ILE A 99 19.892 -45.655 -2.391 1.00 0.00 H ATOM 1245 HD12 ILE A 99 20.980 -46.046 -1.037 1.00 0.00 H ATOM 1246 HD13 ILE A 99 20.202 -47.354 -1.960 1.00 0.00 H ATOM 1247 HG21 ILE A 99 19.557 -43.432 1.311 1.00 0.00 H ATOM 1248 HG22 ILE A 99 19.706 -45.109 1.891 1.00 0.00 H ATOM 1249 HG23 ILE A 99 20.712 -44.544 0.534 1.00 0.00 H ATOM 1250 H ILE A 99 16.484 -44.864 -1.421 1.00 0.00 H ATOM 1251 N TYR A 100 16.709 -42.452 0.974 1.00 22.85 N ATOM 1252 CA TYR A 100 16.561 -41.270 1.809 1.00 20.82 C ATOM 1253 C TYR A 100 15.291 -41.446 2.627 1.00 22.24 C ATOM 1254 O TYR A 100 15.270 -41.010 3.765 1.00 25.19 O ATOM 1255 CB TYR A 100 16.431 -39.996 0.926 1.00 20.12 C ATOM 1256 CG TYR A 100 17.794 -39.547 0.477 1.00 22.45 C ATOM 1257 CD1 TYR A 100 18.687 -38.968 1.406 1.00 22.75 C ATOM 1258 CD2 TYR A 100 18.166 -39.618 -0.875 1.00 25.49 C ATOM 1259 CE1 TYR A 100 19.970 -38.537 0.996 1.00 26.01 C ATOM 1260 CE2 TYR A 100 19.434 -39.166 -1.270 1.00 26.65 C ATOM 1261 CZ TYR A 100 20.292 -38.624 -0.340 1.00 29.30 C ATOM 1262 OH TYR A 100 21.534 -38.192 -0.748 1.00 27.11 O ATOM 1263 HA TYR A 100 17.433 -41.153 2.453 1.00 0.00 H ATOM 1264 HB3 TYR A 100 15.960 -39.201 1.504 1.00 0.00 H ATOM 1265 HB2 TYR A 100 15.818 -40.221 0.053 1.00 0.00 H ATOM 1266 HD2 TYR A 100 17.474 -40.022 -1.614 1.00 0.00 H ATOM 1267 HE2 TYR A 100 19.740 -39.244 -2.313 1.00 0.00 H ATOM 1268 HE1 TYR A 100 20.686 -38.146 1.719 1.00 0.00 H ATOM 1269 HD1 TYR A 100 18.385 -38.853 2.447 1.00 0.00 H ATOM 1270 HH TYR A 100 21.428 -37.483 -1.431 1.00 0.00 H ATOM 1271 H TYR A 100 16.585 -42.387 -0.057 1.00 0.00 H ATOM 1272 N THR A 101 14.262 -42.107 2.087 1.00 23.69 N ATOM 1273 CA THR A 101 13.069 -42.302 2.893 1.00 23.13 C ATOM 1274 C THR A 101 13.332 -43.251 4.104 1.00 24.80 C ATOM 1275 O THR A 101 12.881 -42.999 5.245 1.00 24.36 O ATOM 1276 CB THR A 101 11.889 -42.882 2.045 1.00 25.39 C ATOM 1277 OG1 THR A 101 11.729 -42.077 0.855 1.00 26.61 O ATOM 1278 CG2 THR A 101 10.567 -42.935 2.863 1.00 27.70 C ATOM 1279 HA THR A 101 12.794 -41.316 3.268 1.00 0.00 H ATOM 1280 HB THR A 101 12.126 -43.908 1.764 1.00 0.00 H ATOM 1281 HG1 THR A 101 10.984 -42.437 0.312 1.00 0.00 H ATOM 1282 HG23 THR A 101 10.716 -43.547 3.753 1.00 0.00 H ATOM 1283 HG21 THR A 101 10.283 -41.925 3.159 1.00 0.00 H ATOM 1284 HG22 THR A 101 9.778 -43.370 2.249 1.00 0.00 H ATOM 1285 H THR A 101 14.314 -42.472 1.115 1.00 0.00 H ATOM 1286 N MET A 102 14.113 -44.306 3.837 1.00 24.42 N ATOM 1287 CA MET A 102 14.521 -45.207 4.911 1.00 24.06 C ATOM 1288 C MET A 102 15.377 -44.479 5.942 1.00 25.25 C ATOM 1289 O MET A 102 15.224 -44.695 7.165 1.00 25.39 O ATOM 1290 CB MET A 102 15.259 -46.435 4.358 1.00 22.88 C ATOM 1291 CG MET A 102 14.335 -47.278 3.485 1.00 23.00 C ATOM 1292 SD MET A 102 15.126 -48.835 2.957 1.00 25.58 S ATOM 1293 CE MET A 102 16.409 -48.299 1.861 1.00 23.19 C ATOM 1294 HA MET A 102 13.617 -45.557 5.409 1.00 0.00 H ATOM 1295 HB2 MET A 102 16.109 -46.102 3.762 1.00 0.00 H ATOM 1296 HB3 MET A 102 15.616 -47.042 5.190 1.00 0.00 H ATOM 1297 HG2 MET A 102 14.065 -46.702 2.600 1.00 0.00 H ATOM 1298 HG3 MET A 102 13.434 -47.515 4.052 1.00 0.00 H ATOM 1299 HE1 MET A 102 15.968 -47.754 1.026 1.00 0.00 H ATOM 1300 HE2 MET A 102 17.096 -47.647 2.400 1.00 0.00 H ATOM 1301 HE3 MET A 102 16.950 -49.167 1.485 1.00 0.00 H ATOM 1302 H MET A 102 14.429 -44.484 2.862 1.00 0.00 H ATOM 1303 N ILE A 103 16.283 -43.613 5.495 1.00 23.37 N ATOM 1304 CA ILE A 103 17.097 -42.854 6.456 1.00 23.87 C ATOM 1305 C ILE A 103 16.199 -41.934 7.288 1.00 23.74 C ATOM 1306 O ILE A 103 16.398 -41.832 8.511 1.00 25.70 O ATOM 1307 CB ILE A 103 18.203 -42.030 5.709 1.00 25.33 C ATOM 1308 CG1 ILE A 103 19.225 -43.012 5.132 1.00 25.56 C ATOM 1309 CG2 ILE A 103 18.868 -41.030 6.687 1.00 31.36 C ATOM 1310 CD1 ILE A 103 20.298 -42.389 4.176 1.00 27.07 C ATOM 1311 HA ILE A 103 17.595 -43.553 7.128 1.00 0.00 H ATOM 1312 HB ILE A 103 17.767 -41.450 4.896 1.00 0.00 H ATOM 1313 HG12 ILE A 103 19.749 -43.479 5.966 1.00 0.00 H ATOM 1314 HG13 ILE A 103 18.680 -43.774 4.574 1.00 0.00 H ATOM 1315 HD11 ILE A 103 19.799 -41.929 3.323 1.00 0.00 H ATOM 1316 HD12 ILE A 103 20.869 -41.634 4.716 1.00 0.00 H ATOM 1317 HD13 ILE A 103 20.970 -43.173 3.826 1.00 0.00 H ATOM 1318 HG21 ILE A 103 18.112 -40.348 7.076 1.00 0.00 H ATOM 1319 HG22 ILE A 103 19.323 -41.578 7.512 1.00 0.00 H ATOM 1320 HG23 ILE A 103 19.634 -40.463 6.159 1.00 0.00 H ATOM 1321 H ILE A 103 16.415 -43.474 4.473 1.00 0.00 H ATOM 1322 N TYR A 104 15.230 -41.277 6.650 1.00 24.87 N ATOM 1323 CA TYR A 104 14.342 -40.273 7.327 1.00 25.92 C ATOM 1324 C TYR A 104 13.656 -41.005 8.495 1.00 24.95 C ATOM 1325 O TYR A 104 13.386 -40.393 9.514 1.00 27.93 O ATOM 1326 CB TYR A 104 13.137 -39.869 6.401 1.00 25.80 C ATOM 1327 CG TYR A 104 13.360 -38.808 5.347 1.00 29.25 C ATOM 1328 CD1 TYR A 104 14.580 -38.150 5.196 1.00 33.21 C ATOM 1329 CD2 TYR A 104 12.293 -38.470 4.483 1.00 27.49 C ATOM 1330 CE1 TYR A 104 14.737 -37.186 4.180 1.00 33.72 C ATOM 1331 CE2 TYR A 104 12.452 -37.515 3.505 1.00 34.43 C ATOM 1332 CZ TYR A 104 13.633 -36.863 3.371 1.00 36.54 C ATOM 1333 OH TYR A 104 13.699 -35.961 2.353 1.00 33.20 O ATOM 1334 HA TYR A 104 14.947 -39.408 7.601 1.00 0.00 H ATOM 1335 HB3 TYR A 104 12.337 -39.514 7.051 1.00 0.00 H ATOM 1336 HB2 TYR A 104 12.811 -40.772 5.885 1.00 0.00 H ATOM 1337 HD2 TYR A 104 11.332 -38.972 4.593 1.00 0.00 H ATOM 1338 HE2 TYR A 104 11.625 -37.282 2.835 1.00 0.00 H ATOM 1339 HE1 TYR A 104 15.699 -36.698 4.024 1.00 0.00 H ATOM 1340 HD1 TYR A 104 15.411 -38.381 5.863 1.00 0.00 H ATOM 1341 HH TYR A 104 14.596 -35.543 2.342 1.00 0.00 H ATOM 1342 H TYR A 104 15.083 -41.468 5.638 1.00 0.00 H ATOM 1343 N ARG A 105 13.331 -42.288 8.333 1.00 25.90 N ATOM 1344 CA ARG A 105 12.682 -43.026 9.454 1.00 25.62 C ATOM 1345 C ARG A 105 13.539 -43.135 10.706 1.00 26.97 C ATOM 1346 O ARG A 105 13.031 -43.348 11.842 1.00 28.19 O ATOM 1347 CB ARG A 105 12.273 -44.466 9.015 1.00 25.34 C ATOM 1348 CG ARG A 105 11.150 -44.458 7.861 1.00 24.91 C ATOM 1349 CD ARG A 105 10.551 -45.814 7.636 1.00 28.50 C ATOM 1350 NE ARG A 105 9.837 -46.292 8.838 1.00 28.59 N ATOM 1351 CZ ARG A 105 9.612 -47.553 9.144 1.00 27.51 C ATOM 1352 NH1 ARG A 105 9.947 -48.506 8.301 1.00 27.89 N ATOM 1353 NH2 ARG A 105 8.944 -47.858 10.301 1.00 27.47 N ATOM 1354 HA ARG A 105 11.804 -42.430 9.705 1.00 0.00 H ATOM 1355 HB2 ARG A 105 13.157 -44.983 8.641 1.00 0.00 H ATOM 1356 HB3 ARG A 105 11.882 -44.999 9.882 1.00 0.00 H ATOM 1357 HG2 ARG A 105 10.357 -43.768 8.149 1.00 0.00 H ATOM 1358 HG3 ARG A 105 11.606 -44.118 6.931 1.00 0.00 H ATOM 1359 HD2 ARG A 105 11.347 -46.518 7.392 1.00 0.00 H ATOM 1360 HD3 ARG A 105 9.849 -45.759 6.804 1.00 0.00 H ATOM 1361 HE ARG A 105 9.482 -45.571 9.499 1.00 0.00 H ATOM 1362 HH12 ARG A 105 9.769 -49.501 8.544 1.00 0.00 H ATOM 1363 HH11 ARG A 105 10.390 -48.264 7.392 1.00 0.00 H ATOM 1364 HH22 ARG A 105 8.762 -48.851 10.550 1.00 0.00 H ATOM 1365 HH21 ARG A 105 8.619 -47.096 10.930 1.00 0.00 H ATOM 1366 H ARG A 105 13.529 -42.770 7.433 1.00 0.00 H ATOM 1367 N ASN A 106 14.846 -42.959 10.509 1.00 26.25 N ATOM 1368 CA ASN A 106 15.819 -43.213 11.580 1.00 25.62 C ATOM 1369 C ASN A 106 16.444 -41.924 12.134 1.00 28.45 C ATOM 1370 O ASN A 106 17.490 -41.968 12.822 1.00 26.94 O ATOM 1371 CB ASN A 106 16.880 -44.186 11.047 1.00 23.01 C ATOM 1372 CG ASN A 106 16.331 -45.578 10.922 1.00 25.38 C ATOM 1373 OD1 ASN A 106 16.207 -46.303 11.899 1.00 24.90 O ATOM 1374 ND2 ASN A 106 15.915 -45.945 9.680 1.00 22.86 N ATOM 1375 HA ASN A 106 15.302 -43.662 12.428 1.00 0.00 H ATOM 1376 HB2 ASN A 106 17.213 -43.846 10.066 1.00 0.00 H ATOM 1377 HB3 ASN A 106 17.727 -44.198 11.733 1.00 0.00 H ATOM 1378 HD22 ASN A 106 16.040 -45.296 8.877 1.00 0.00 H ATOM 1379 HD21 ASN A 106 15.472 -46.874 9.534 1.00 0.00 H ATOM 1380 H ASN A 106 15.183 -42.636 9.580 1.00 0.00 H ATOM 1381 N LEU A 107 15.798 -40.789 11.830 1.00 29.01 N ATOM 1382 CA LEU A 107 16.205 -39.473 12.323 1.00 30.14 C ATOM 1383 C LEU A 107 15.180 -38.914 13.296 1.00 34.17 C ATOM 1384 O LEU A 107 13.976 -39.139 13.157 1.00 31.77 O ATOM 1385 CB LEU A 107 16.336 -38.496 11.151 1.00 30.12 C ATOM 1386 CG LEU A 107 17.366 -38.871 10.082 1.00 27.94 C ATOM 1387 CD1 LEU A 107 17.365 -37.867 8.939 1.00 32.91 C ATOM 1388 CD2 LEU A 107 18.739 -39.003 10.728 1.00 28.61 C ATOM 1389 HA LEU A 107 17.161 -39.590 12.833 1.00 0.00 H ATOM 1390 HB2 LEU A 107 15.362 -38.422 10.666 1.00 0.00 H ATOM 1391 HB3 LEU A 107 16.613 -37.523 11.556 1.00 0.00 H ATOM 1392 HG LEU A 107 17.098 -39.833 9.646 1.00 0.00 H ATOM 1393 HD21 LEU A 107 19.017 -38.053 11.185 1.00 0.00 H ATOM 1394 HD22 LEU A 107 18.707 -39.780 11.492 1.00 0.00 H ATOM 1395 HD23 LEU A 107 19.473 -39.270 9.967 1.00 0.00 H ATOM 1396 HD11 LEU A 107 16.378 -37.844 8.478 1.00 0.00 H ATOM 1397 HD12 LEU A 107 17.610 -36.878 9.326 1.00 0.00 H ATOM 1398 HD13 LEU A 107 18.107 -38.162 8.197 1.00 0.00 H ATOM 1399 H LEU A 107 14.964 -40.847 11.211 1.00 0.00 H ATOM 1400 N VAL A 108 15.653 -38.188 14.304 1.00 35.51 N ATOM 1401 CA VAL A 108 14.731 -37.618 15.316 1.00 39.47 C ATOM 1402 C VAL A 108 13.979 -36.435 14.707 1.00 44.01 C ATOM 1403 O VAL A 108 14.560 -35.634 13.987 1.00 44.78 O ATOM 1404 CB VAL A 108 15.542 -37.061 16.481 1.00 41.77 C ATOM 1405 CG1 VAL A 108 14.623 -36.565 17.636 1.00 43.97 C ATOM 1406 CG2 VAL A 108 16.540 -38.097 16.961 1.00 36.03 C ATOM 1407 HA VAL A 108 14.046 -38.400 15.644 1.00 0.00 H ATOM 1408 HB VAL A 108 16.096 -36.190 16.130 1.00 0.00 H ATOM 1409 HG11 VAL A 108 13.968 -35.777 17.265 1.00 0.00 H ATOM 1410 HG12 VAL A 108 14.021 -37.397 18.002 1.00 0.00 H ATOM 1411 HG13 VAL A 108 15.239 -36.176 18.447 1.00 0.00 H ATOM 1412 HG21 VAL A 108 16.006 -38.989 17.289 1.00 0.00 H ATOM 1413 HG22 VAL A 108 17.215 -38.355 16.145 1.00 0.00 H ATOM 1414 HG23 VAL A 108 17.114 -37.689 17.793 1.00 0.00 H ATOM 1415 H VAL A 108 16.676 -38.019 14.383 1.00 0.00 H ATOM 1416 N VAL A 109 12.683 -36.350 15.006 1.00 47.70 N ATOM 1417 CA VAL A 109 11.826 -35.280 14.481 1.00 50.34 C ATOM 1418 C VAL A 109 12.206 -33.969 15.183 1.00 51.67 C ATOM 1419 O VAL A 109 12.391 -32.943 14.526 1.00 52.81 O ATOM 1420 CB VAL A 109 10.294 -35.581 14.689 1.00 54.16 C ATOM 1421 CG1 VAL A 109 9.436 -34.445 14.127 1.00 52.29 C ATOM 1422 CG2 VAL A 109 9.868 -36.932 14.062 1.00 50.92 C ATOM 1423 HA VAL A 109 11.986 -35.205 13.405 1.00 0.00 H ATOM 1424 HB VAL A 109 10.131 -35.654 15.764 1.00 0.00 H ATOM 1425 HG11 VAL A 109 9.685 -33.516 14.639 1.00 0.00 H ATOM 1426 HG12 VAL A 109 9.632 -34.337 13.060 1.00 0.00 H ATOM 1427 HG13 VAL A 109 8.382 -34.676 14.283 1.00 0.00 H ATOM 1428 HG21 VAL A 109 10.066 -36.912 12.990 1.00 0.00 H ATOM 1429 HG22 VAL A 109 10.436 -37.740 14.523 1.00 0.00 H ATOM 1430 HG23 VAL A 109 8.803 -37.091 14.234 1.00 0.00 H ATOM 1431 H VAL A 109 12.264 -37.066 15.633 1.00 0.00 H TER 1432 VAL A 109 HETATM 1433 O HOH 1 18.750 -59.918 -5.500 1.00 30.23 O HETATM 1434 O HOH 2 29.871 -52.663 12.892 1.00 36.09 O HETATM 1435 O HOH 3 28.464 -48.419 18.509 1.00 35.48 O HETATM 1436 O HOH 4 19.419 -60.198 -8.085 1.00 32.86 O HETATM 1437 O HOH 5 32.848 -44.333 17.031 1.00 38.91 O HETATM 1438 O HOH 6 8.712 -44.503 10.743 1.00 36.11 O HETATM 1439 O HOH 7 23.486 -56.509 13.245 1.00 32.57 O HETATM 1440 O HOH 8 10.385 -43.246 12.531 1.00 33.69 O HETATM 1441 O HOH 9 11.858 -39.059 11.420 1.00 34.63 O HETATM 1442 O HOH 10 12.291 -49.639 10.910 1.00 32.90 O HETATM 1443 O HOH 11 23.057 -32.348 5.972 1.00 37.43 O HETATM 1444 O HOH 12 27.582 -46.726 20.627 1.00 46.70 O HETATM 1445 O HOH 13 28.102 -62.213 -2.103 1.00 48.78 O HETATM 1446 O HOH 14 34.909 -47.977 9.461 1.00 40.81 O HETATM 1447 O HOH 15 37.542 -38.506 20.468 1.00 44.92 O HETATM 1448 O HOH 16 11.165 -48.705 5.542 1.00 28.07 O HETATM 1449 O HOH 17 25.531 -44.603 20.214 1.00 43.34 O HETATM 1450 O HOH 18 13.525 -54.991 -1.077 1.00 42.30 O HETATM 1451 O HOH 19 24.466 -59.906 3.547 1.00 40.95 O HETATM 1452 O HOH 20 9.980 -43.455 -0.720 1.00 44.71 O HETATM 1453 O HOH 21 9.900 -40.436 12.752 1.00 53.02 O HETATM 1454 O HOH 22 12.046 -53.499 10.578 1.00 33.17 O HETATM 1455 O HOH 23 29.730 -59.096 -11.812 1.00 54.72 O HETATM 1456 O HOH 24 11.732 -46.355 1.600 1.00 36.44 O HETATM 1457 O HOH 25 32.234 -38.251 13.147 1.00 47.10 O HETATM 1458 O HOH 26 11.428 -48.955 1.287 1.00 47.23 O HETATM 1459 O HOH 27 31.778 -53.079 10.841 1.00 40.93 O HETATM 1460 O HOH 28 10.073 -45.533 -3.016 1.00 53.09 O HETATM 1461 O HOH 29 17.126 -34.957 12.869 1.00 41.56 O HETATM 1462 O HOH 30 10.005 -54.578 4.105 1.00 47.62 O HETATM 1463 O HOH 31 31.360 -37.636 4.464 1.00 54.97 O HETATM 1464 O HOH 32 25.369 -33.085 3.671 1.00 38.07 O HETATM 1465 O HOH 33 26.503 -60.277 1.342 1.00 49.88 O HETATM 1466 O HOH 34 20.274 -43.432 -9.092 1.00 45.05 O HETATM 1467 O HOH 35 28.992 -50.919 18.971 1.00 53.15 O HETATM 1468 O HOH 36 33.212 -33.538 3.136 1.00 61.06 O HETATM 1469 O HOH 37 18.097 -60.479 1.720 1.00 55.61 O HETATM 1470 O HOH 38 22.964 -44.797 20.639 1.00 45.77 O HETATM 1471 O HOH 39 25.240 -58.984 9.468 1.00 42.68 O HETATM 1472 O HOH 40 33.409 -51.776 12.647 1.00 40.07 O HETATM 1473 O HOH 41 19.324 -40.232 19.337 1.00 46.31 O HETATM 1474 O HOH 42 22.091 -38.778 17.859 1.00 45.67 O HETATM 1475 O HOH 43 15.346 -56.690 7.475 1.00 43.82 O HETATM 1476 O HOH 44 26.211 -63.285 -5.624 1.00 45.90 O HETATM 1477 O HOH 45 29.970 -33.078 5.655 1.00 51.83 O HETATM 1478 O HOH 46 15.333 -61.779 1.635 1.00 47.36 O HETATM 1479 O HOH 47 22.333 -27.676 11.314 1.00 52.59 O HETATM 1480 O HOH 48 10.642 -40.969 14.960 1.00 49.84 O HETATM 1481 O HOH 49 25.434 -53.787 14.017 1.00 40.02 O HETATM 1482 O HOH 50 18.850 -28.261 4.586 1.00 43.96 O HETATM 1483 O HOH 51 21.353 -63.882 -2.780 1.00 60.39 O HETATM 1484 O HOH 52 25.962 -60.975 5.542 1.00 45.93 O HETATM 1485 O HOH 53 28.627 -64.124 -4.709 1.00 52.76 O HETATM 1486 O HOH 54 13.572 -48.883 -7.451 1.00 39.97 O HETATM 1487 O HOH 55 34.018 -53.899 -4.668 1.00 53.23 O HETATM 1488 O HOH 56 28.441 -60.710 5.370 1.00 58.15 O HETATM 1489 O HOH 57 32.178 -55.801 11.314 1.00 52.14 O HETATM 1490 O HOH 58 29.625 -56.533 -13.128 1.00 62.85 O HETATM 1491 O HOH 59 36.132 -59.082 -4.723 1.00 52.00 O HETATM 1492 O HOH 60 27.937 -59.573 8.298 1.00 52.80 O HETATM 1493 O HOH 61 21.231 -63.453 -0.431 1.00 59.74 O HETATM 1494 O HOH 62 32.440 -61.486 -0.986 1.00 65.71 O HETATM 1495 O HOH 63 27.867 -54.650 13.611 1.00 38.78 O HETATM 1496 O HOH 64 31.506 -45.010 2.644 1.00 44.97 O HETATM 1497 O HOH 65 20.774 -40.835 -12.249 1.00 54.32 O HETATM 1498 O HOH 66 32.220 -63.303 -2.800 1.00 56.81 O HETATM 1499 O HOH 67 10.014 -45.789 -0.226 1.00 42.98 O HETATM 1500 O HOH 68 22.007 -65.873 -4.083 1.00 58.63 O HETATM 1501 O HOH 69 32.616 -44.027 19.961 1.00 55.37 O HETATM 1502 O HOH 70 32.006 -35.139 4.994 1.00 45.98 O HETATM 1503 O HOH 71 24.688 -63.966 -3.165 1.00 55.97 O HETATM 1504 O HOH 72 25.766 -62.163 -1.582 1.00 51.86 O HETATM 1505 O HOH 73 25.826 -51.666 15.589 1.00 52.58 O HETATM 1506 O HOH 74 28.558 -55.826 -9.636 1.00 38.40 O HETATM 1507 O HOH 75 11.154 -54.087 0.441 1.00 59.05 O HETATM 1508 O HOH 76 19.748 -40.703 -9.442 1.00 43.64 O HETATM 1509 O HOH 77 30.956 -57.243 -9.271 1.00 54.36 O HETATM 1510 O HOH 78 27.859 -32.203 14.438 1.00 59.27 O HETATM 1511 O HOH 79 9.937 -50.308 2.765 1.00 53.93 O HETATM 1512 O HOH 80 7.364 -50.034 6.471 1.00 56.86 O HETATM 1513 O HOH 81 12.871 -51.835 -4.852 1.00 48.09 O HETATM 1514 O HOH 82 21.396 -43.019 -11.273 1.00 54.59 O HETATM 1515 O HOH 83 9.065 -52.014 6.137 1.00 56.18 O HETATM 1516 O HOH 84 22.741 -41.162 -14.925 1.00 68.41 O HETATM 1517 O HOH 85 26.760 -33.270 18.012 1.00 76.75 O HETATM 1518 O HOH 86 26.969 -42.680 21.859 1.00 60.09 O HETATM 1519 O HOH 87 19.252 -63.006 1.109 1.00 58.27 O HETATM 1520 O HOH 88 34.657 -62.115 0.546 1.00 59.53 O HETATM 1521 O HOH 89 24.012 -60.244 7.727 1.00 58.52 O HETATM 1522 O HOH 90 14.195 -59.500 7.026 1.00 61.97 O HETATM 1523 O HOH 91 28.160 -52.578 17.254 1.00 55.70 O HETATM 1524 O HOH 92 35.268 -50.393 11.329 1.00 56.24 O HETATM 1525 O HOH 93 32.473 -37.327 10.202 1.00 67.67 O HETATM 1526 O HOH 94 11.893 -58.942 6.316 1.00 50.43 O HETATM 1527 O HOH 95 30.941 -31.188 7.713 1.00 62.07 O HETATM 1528 O HOH 96 36.525 -60.017 -0.304 1.00 62.81 O HETATM 1529 O HOH 97 10.591 -42.917 -9.884 1.00 49.81 O HETATM 1530 O HOH 98 21.214 -41.316 21.451 1.00 43.83 O HETATM 1531 O HOH 99 31.816 -46.011 -1.732 1.00 35.91 O HETATM 1532 O HOH 100 28.077 -35.888 -5.912 1.00 51.70 O HETATM 1533 O HOH 101 25.594 -33.065 -3.924 1.00 45.65 O HETATM 1534 O HOH 102 36.960 -53.207 -8.697 1.00 65.36 O HETATM 1535 O HOH 103 23.929 -42.278 -9.217 1.00 61.73 O HETATM 1536 O HOH 104 34.332 -45.412 -3.046 1.00 53.40 O HETATM 1537 O HOH 105 28.138 -45.467 -8.677 1.00 52.72 O HETATM 1538 O HOH 106 36.346 -50.438 -5.900 1.00 38.50 O HETATM 1539 N DAL A 107 32.365 -51.797 -7.269 1.00 0.24 N HETATM 1540 CA DAL A 107 33.246 -50.615 -7.109 1.00 0.06 C HETATM 1541 CB DAL A 107 34.674 -50.939 -7.624 1.00 -0.00 C HETATM 1542 H DAL A 107 35.289 -50.040 -7.576 1.00 0.03 H HETATM 1543 H DAL A 107 35.116 -51.717 -7.001 1.00 0.03 H HETATM 1544 H DAL A 107 34.617 -51.287 -8.655 1.00 0.03 H HETATM 1545 C DAL A 107 33.275 -50.121 -5.661 1.00 0.23 C HETATM 1546 O DAL A 107 33.641 -48.928 -5.460 1.00 -0.39 O HETATM 1547 N DAL A 107 32.878 -50.934 -4.680 1.00 -0.26 N HETATM 1548 CA DAL A 107 32.955 -50.484 -3.306 1.00 0.14 C HETATM 1549 CB DAL A 107 32.453 -51.517 -2.280 1.00 0.00 C HETATM 1550 CG DAL A 107 30.914 -51.718 -2.328 1.00 -0.04 C HETATM 1551 CD1 DAL A 107 30.324 -52.675 -3.052 1.00 0.02 C HETATM 1552 NE1 DAL A 107 28.964 -52.575 -2.845 1.00 -0.29 N HETATM 1553 CE2 DAL A 107 28.697 -51.563 -2.005 1.00 0.06 C HETATM 1554 CZ2 DAL A 107 27.486 -51.084 -1.480 1.00 -0.04 C HETATM 1555 CH2 DAL A 107 27.487 -49.979 -0.604 1.00 -0.08 C HETATM 1556 CZ3 DAL A 107 28.758 -49.397 -0.245 1.00 -0.08 C HETATM 1557 CE3 DAL A 107 29.957 -49.913 -0.748 1.00 -0.07 C HETATM 1558 CD2 DAL A 107 29.950 -50.994 -1.647 1.00 -0.02 C HETATM 1559 H DAL A 107 30.905 -49.473 -0.440 1.00 0.05 H HETATM 1560 H DAL A 107 28.784 -48.541 0.429 1.00 0.05 H HETATM 1561 H DAL A 107 26.554 -49.576 -0.209 1.00 0.05 H HETATM 1562 H DAL A 107 26.546 -51.566 -1.749 1.00 0.05 H HETATM 1563 H DAL A 107 28.263 -53.182 -3.269 1.00 0.22 H HETATM 1564 H DAL A 107 30.827 -53.402 -3.690 1.00 0.08 H HETATM 1565 H DAL A 107 32.710 -51.151 -1.286 1.00 0.04 H HETATM 1566 H DAL A 107 32.921 -52.473 -2.514 1.00 0.04 H HETATM 1567 C DAL A 107 32.203 -49.159 -3.167 1.00 0.21 C HETATM 1568 O DAL A 107 32.519 -48.352 -2.303 1.00 -0.39 O HETATM 1569 N DAL A 107 31.047 -49.023 -4.059 1.00 -0.26 N HETATM 1570 CA DAL A 107 30.043 -48.008 -3.659 1.00 0.14 C HETATM 1571 C DAL A 107 30.261 -46.728 -4.474 1.00 0.21 C HETATM 1572 O DAL A 107 29.406 -45.789 -4.495 1.00 -0.39 O HETATM 1573 N DAL A 107 31.465 -46.547 -5.159 1.00 -0.26 N HETATM 1574 CA DAL A 107 31.629 -45.397 -6.108 1.00 0.13 C HETATM 1575 CB DAL A 107 33.089 -45.455 -6.695 1.00 -0.02 C HETATM 1576 H DAL A 107 33.810 -45.378 -5.881 1.00 0.03 H HETATM 1577 H DAL A 107 33.231 -46.400 -7.220 1.00 0.03 H HETATM 1578 H DAL A 107 33.233 -44.627 -7.389 1.00 0.03 H HETATM 1579 C DAL A 107 31.485 -44.086 -5.392 1.00 0.20 C HETATM 1580 O DAL A 107 30.571 -43.263 -5.765 1.00 -0.39 O HETATM 1581 N DAL A 107 32.107 -43.946 -4.131 1.00 -0.26 N HETATM 1582 CA DAL A 107 32.081 -42.688 -3.396 1.00 0.15 C HETATM 1583 C DAL A 107 30.661 -42.596 -2.757 1.00 0.21 C HETATM 1584 O DAL A 107 30.214 -41.454 -2.528 1.00 -0.39 O HETATM 1585 N DAL A 107 30.125 -43.773 -2.309 1.00 -0.26 N HETATM 1586 CA DAL A 107 28.773 -43.753 -1.656 1.00 0.15 C HETATM 1587 C DAL A 107 27.748 -43.214 -2.676 1.00 0.21 C HETATM 1588 O DAL A 107 26.901 -42.433 -2.258 1.00 -0.39 O HETATM 1589 N DAL A 107 27.766 -43.618 -3.934 1.00 -0.26 N HETATM 1590 CA DAL A 107 26.742 -43.166 -4.936 1.00 0.13 C HETATM 1591 C DAL A 107 27.003 -41.739 -5.221 1.00 0.20 C HETATM 1592 O DAL A 107 26.066 -40.907 -5.299 1.00 -0.39 O HETATM 1593 N DAL A 107 28.294 -41.218 -5.164 1.00 -0.26 N HETATM 1594 CA DAL A 107 28.485 -39.776 -5.298 1.00 0.13 C HETATM 1595 C DAL A 107 27.967 -39.014 -4.167 1.00 0.20 C HETATM 1596 O DAL A 107 27.458 -37.860 -4.313 1.00 -0.39 O HETATM 1597 N DAL A 107 27.978 -39.608 -2.815 1.00 -0.26 N HETATM 1598 CA DAL A 107 27.403 -38.847 -1.741 1.00 0.13 C HETATM 1599 CB DAL A 107 27.687 -39.590 -0.387 1.00 -0.01 C HETATM 1600 CG DAL A 107 29.205 -39.714 -0.012 1.00 -0.04 C HETATM 1601 CD1 DAL A 107 29.738 -38.306 -0.003 1.00 -0.06 C HETATM 1602 H DAL A 107 29.608 -37.863 -0.991 1.00 0.02 H HETATM 1603 H DAL A 107 29.193 -37.717 0.735 1.00 0.02 H HETATM 1604 H DAL A 107 30.797 -38.322 0.253 1.00 0.02 H HETATM 1605 CD2 DAL A 107 29.348 -40.451 1.327 1.00 -0.06 C HETATM 1606 H DAL A 107 28.827 -39.893 2.105 1.00 0.02 H HETATM 1607 H DAL A 107 28.914 -41.447 1.240 1.00 0.02 H HETATM 1608 H DAL A 107 30.404 -40.535 1.583 1.00 0.02 H HETATM 1609 H DAL A 107 29.783 -40.307 -0.721 1.00 0.03 H HETATM 1610 H DAL A 107 27.304 -40.605 -0.496 1.00 0.03 H HETATM 1611 H DAL A 107 27.213 -39.005 0.401 1.00 0.03 H HETATM 1612 C DAL A 107 25.848 -38.844 -1.910 1.00 0.20 C HETATM 1613 O DAL A 107 25.253 -37.812 -1.549 1.00 -0.39 O HETATM 1614 N DAL A 107 25.299 -39.911 -2.371 1.00 -0.26 N HETATM 1615 CA DAL A 107 23.785 -39.967 -2.507 1.00 0.13 C HETATM 1616 CB DAL A 107 23.370 -41.329 -3.025 1.00 -0.01 C HETATM 1617 CG DAL A 107 23.293 -42.341 -1.836 1.00 -0.04 C HETATM 1618 CD1 DAL A 107 22.061 -42.124 -0.921 1.00 -0.06 C HETATM 1619 H DAL A 107 22.098 -41.121 -0.496 1.00 0.02 H HETATM 1620 H DAL A 107 21.150 -42.238 -1.508 1.00 0.02 H HETATM 1621 H DAL A 107 22.072 -42.861 -0.118 1.00 0.02 H HETATM 1622 CD2 DAL A 107 23.344 -43.778 -2.357 1.00 -0.06 C HETATM 1623 H DAL A 107 22.501 -43.950 -3.027 1.00 0.02 H HETATM 1624 H DAL A 107 24.277 -43.934 -2.898 1.00 0.02 H HETATM 1625 H DAL A 107 23.289 -44.470 -1.517 1.00 0.02 H HETATM 1626 H DAL A 107 24.166 -42.154 -1.210 1.00 0.03 H HETATM 1627 H DAL A 107 24.103 -41.679 -3.752 1.00 0.03 H HETATM 1628 H DAL A 107 22.392 -41.253 -3.500 1.00 0.03 H HETATM 1629 C DAL A 107 23.325 -38.921 -3.507 1.00 0.20 C HETATM 1630 O DAL A 107 22.311 -38.242 -3.303 1.00 -0.39 O HETATM 1631 N DAL A 107 24.133 -38.688 -4.607 1.00 -0.27 N HETATM 1632 CA DAL A 107 23.772 -37.643 -5.621 1.00 0.09 C HETATM 1633 CB DAL A 107 24.623 -37.952 -6.886 1.00 -0.01 C HETATM 1634 CG DAL A 107 24.172 -39.163 -7.700 1.00 -0.02 C HETATM 1635 CD DAL A 107 24.719 -39.153 -9.172 1.00 0.06 C HETATM 1636 NE DAL A 107 26.176 -38.839 -9.176 1.00 -0.27 N HETATM 1637 CZ DAL A 107 27.171 -39.749 -9.183 1.00 0.29 C HETATM 1638 NH1 DAL A 107 28.420 -39.283 -9.175 1.00 -0.28 N HETATM 1639 H DAL A 107 28.589 -38.277 -9.164 1.00 0.26 H HETATM 1640 H DAL A 107 29.207 -39.932 -9.180 1.00 0.26 H HETATM 1641 NH2 DAL A 107 26.966 -41.089 -9.209 1.00 -0.28 N HETATM 1642 H DAL A 107 26.016 -41.459 -9.225 1.00 0.26 H HETATM 1643 H DAL A 107 27.762 -41.727 -9.213 1.00 0.26 H HETATM 1644 H DAL A 107 26.442 -37.854 -9.173 1.00 0.26 H HETATM 1645 H DAL A 107 24.188 -38.393 -9.745 1.00 0.07 H HETATM 1646 H DAL A 107 24.564 -40.136 -9.617 1.00 0.07 H HETATM 1647 H DAL A 107 23.083 -39.142 -7.751 1.00 0.03 H HETATM 1648 H DAL A 107 24.559 -40.056 -7.208 1.00 0.03 H HETATM 1649 H DAL A 107 25.632 -38.171 -6.536 1.00 0.03 H HETATM 1650 H DAL A 107 24.532 -37.086 -7.541 1.00 0.03 H HETATM 1651 C DAL A 107 23.987 -36.285 -5.021 1.00 0.06 C HETATM 1652 O DAL A 107 23.187 -35.371 -5.293 1.00 -0.57 O HETATM 1653 OXT DAL A 107 24.903 -35.958 -4.214 1.00 -0.57 O HETATM 1654 H DAL A 107 22.723 -37.654 -5.917 1.00 0.07 H HETATM 1655 H DAL A 107 24.985 -39.234 -4.730 1.00 0.19 H HETATM 1656 H DAL A 107 23.337 -39.781 -1.531 1.00 0.08 H HETATM 1657 H DAL A 107 25.872 -40.710 -2.642 1.00 0.19 H HETATM 1658 H DAL A 107 27.819 -37.839 -1.748 1.00 0.08 H HETATM 1659 H DAL A 107 28.381 -40.530 -2.649 1.00 0.19 H HETATM 1660 CB DAL A 107 30.021 -39.517 -5.492 1.00 -0.01 C HETATM 1661 CG DAL A 107 30.379 -38.038 -5.387 1.00 -0.04 C HETATM 1662 CD DAL A 107 31.276 -37.727 -4.172 1.00 -0.01 C HETATM 1663 CE DAL A 107 30.966 -36.348 -3.570 1.00 -0.04 C HETATM 1664 NZ DAL A 107 31.517 -36.220 -2.202 1.00 0.22 N HETATM 1665 H DAL A 107 31.294 -35.296 -1.832 1.00 0.20 H HETATM 1666 H DAL A 107 31.105 -36.935 -1.603 1.00 0.20 H HETATM 1667 H DAL A 107 32.529 -36.341 -2.232 1.00 0.20 H HETATM 1668 H DAL A 107 29.884 -36.227 -3.520 1.00 0.08 H HETATM 1669 H DAL A 107 31.422 -35.585 -4.200 1.00 0.08 H HETATM 1670 H DAL A 107 32.314 -37.730 -4.504 1.00 0.03 H HETATM 1671 H DAL A 107 31.092 -38.483 -3.409 1.00 0.03 H HETATM 1672 H DAL A 107 29.452 -37.477 -5.271 1.00 0.03 H HETATM 1673 H DAL A 107 30.928 -37.762 -6.287 1.00 0.03 H HETATM 1674 H DAL A 107 30.298 -39.861 -6.489 1.00 0.03 H HETATM 1675 H DAL A 107 30.555 -40.050 -4.705 1.00 0.03 H HETATM 1676 H DAL A 107 27.914 -39.429 -6.159 1.00 0.08 H HETATM 1677 H DAL A 107 29.095 -41.835 -5.030 1.00 0.19 H HETATM 1678 CB DAL A 107 26.867 -43.971 -6.219 1.00 -0.00 C HETATM 1679 CG DAL A 107 26.230 -45.345 -6.116 1.00 0.00 C HETATM 1680 CD DAL A 107 25.194 -45.680 -7.216 1.00 0.04 C HETATM 1681 OE1 DAL A 107 25.572 -46.500 -8.104 1.00 -0.57 O HETATM 1682 OE2 DAL A 107 24.036 -45.187 -7.112 1.00 -0.57 O HETATM 1683 H DAL A 107 25.695 -45.370 -5.167 1.00 0.04 H HETATM 1684 H DAL A 107 27.037 -46.071 -6.217 1.00 0.04 H HETATM 1685 H DAL A 107 27.928 -44.110 -6.424 1.00 0.03 H HETATM 1686 H DAL A 107 26.352 -43.423 -7.008 1.00 0.03 H HETATM 1687 H DAL A 107 25.737 -43.310 -4.540 1.00 0.08 H HETATM 1688 H DAL A 107 28.500 -44.259 -4.235 1.00 0.19 H HETATM 1689 CB DAL A 107 28.464 -45.185 -1.240 1.00 0.04 C HETATM 1690 CG DAL A 107 27.136 -45.384 -0.485 1.00 -0.01 C HETATM 1691 CD1 DAL A 107 26.153 -46.222 -1.084 1.00 -0.03 C HETATM 1692 CE1 DAL A 107 24.920 -46.452 -0.409 1.00 -0.04 C HETATM 1693 CZ DAL A 107 24.717 -45.859 0.870 1.00 0.04 C HETATM 1694 C13 DAL A 107 23.477 -46.070 1.648 1.00 0.37 C HETATM 1695 F19 DAL A 107 23.675 -46.870 2.709 1.00 -0.23 F HETATM 1696 F20 DAL A 107 23.029 -44.981 2.152 1.00 -0.23 F HETATM 1697 F21 DAL A 107 22.508 -46.701 0.942 1.00 -0.23 F HETATM 1698 CE2 DAL A 107 25.733 -45.014 1.471 1.00 -0.04 C HETATM 1699 CD2 DAL A 107 26.939 -44.798 0.758 1.00 -0.03 C HETATM 1700 H DAL A 107 27.717 -44.167 1.189 1.00 0.07 H HETATM 1701 H DAL A 107 25.572 -44.556 2.447 1.00 0.08 H HETATM 1702 H DAL A 107 24.146 -47.071 -0.863 1.00 0.08 H HETATM 1703 H DAL A 107 26.343 -46.684 -2.053 1.00 0.07 H HETATM 1704 H DAL A 107 29.258 -45.488 -0.557 1.00 0.05 H HETATM 1705 H DAL A 107 28.389 -45.766 -2.159 1.00 0.05 H HETATM 1706 H DAL A 107 28.738 -43.108 -0.778 1.00 0.08 H HETATM 1707 H DAL A 107 30.636 -44.649 -2.417 1.00 0.19 H HETATM 1708 CB DAL A 107 33.140 -42.645 -2.316 1.00 0.08 C HETATM 1709 CG DAL A 107 33.096 -41.303 -1.579 1.00 0.18 C HETATM 1710 OD1 DAL A 107 33.105 -40.250 -2.234 1.00 -0.40 O HETATM 1711 ND2 DAL A 107 32.919 -41.360 -0.233 1.00 -0.30 N HETATM 1712 H DAL A 107 32.783 -40.501 0.300 1.00 0.18 H HETATM 1713 H DAL A 107 32.923 -42.261 0.244 1.00 0.18 H HETATM 1714 H DAL A 107 34.121 -42.766 -2.775 1.00 0.06 H HETATM 1715 H DAL A 107 32.953 -43.448 -1.603 1.00 0.06 H HETATM 1716 H DAL A 107 32.289 -41.852 -4.063 1.00 0.08 H HETATM 1717 H DAL A 107 32.588 -44.748 -3.724 1.00 0.19 H HETATM 1718 H DAL A 107 30.868 -45.471 -6.885 1.00 0.08 H HETATM 1719 H DAL A 107 32.236 -47.199 -5.013 1.00 0.19 H HETATM 1720 CB DAL A 107 28.696 -48.603 -3.984 1.00 0.02 C HETATM 1721 CG DAL A 107 28.609 -49.112 -5.441 1.00 -0.05 C HETATM 1722 CD1 DAL A 107 28.330 -50.459 -5.643 1.00 -0.07 C HETATM 1723 CE1 DAL A 107 28.248 -51.005 -6.932 1.00 -0.04 C HETATM 1724 CZ DAL A 107 28.439 -50.160 -8.033 1.00 0.08 C HETATM 1725 CE2 DAL A 107 28.725 -48.802 -7.851 1.00 -0.04 C HETATM 1726 CD2 DAL A 107 28.810 -48.277 -6.553 1.00 -0.07 C HETATM 1727 H DAL A 107 29.032 -47.220 -6.407 1.00 0.05 H HETATM 1728 H DAL A 107 28.881 -48.155 -8.714 1.00 0.05 H HETATM 1729 OH DAL A 107 28.348 -50.694 -9.287 1.00 -0.34 O HETATM 1730 H DAL A 107 27.650 -50.249 -9.773 1.00 0.25 H HETATM 1731 H DAL A 107 28.040 -52.065 -7.074 1.00 0.05 H HETATM 1732 H DAL A 107 28.171 -51.105 -4.780 1.00 0.05 H HETATM 1733 H DAL A 107 27.945 -47.824 -3.855 1.00 0.05 H HETATM 1734 H DAL A 107 28.535 -49.453 -3.321 1.00 0.05 H HETATM 1735 H DAL A 107 30.120 -47.754 -2.602 1.00 0.08 H HETATM 1736 H DAL A 107 30.941 -49.590 -4.900 1.00 0.19 H HETATM 1737 H DAL A 107 34.011 -50.344 -3.073 1.00 0.08 H HETATM 1738 H DAL A 107 32.523 -51.865 -4.896 1.00 0.19 H HETATM 1739 H DAL A 107 32.836 -49.804 -7.711 1.00 0.11 H HETATM 1740 H DAL A 107 32.372 -52.095 -8.244 1.00 0.20 H HETATM 1741 H DAL A 107 32.705 -52.555 -6.678 1.00 0.20 H HETATM 1742 H DAL A 107 31.414 -51.550 -6.995 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1539 1540 1740 1741 1742 CONECT 1540 1539 1541 1545 1739 CONECT 1541 1540 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1540 1546 1547 CONECT 1546 1545 CONECT 1547 1545 1548 1738 CONECT 1548 1547 1549 1567 1737 CONECT 1549 1548 1550 1565 1566 CONECT 1550 1549 1551 1558 CONECT 1551 1550 1552 1564 CONECT 1552 1551 1553 1563 CONECT 1553 1552 1554 1558 CONECT 1554 1553 1555 1562 CONECT 1555 1554 1556 1561 CONECT 1556 1555 1557 1560 CONECT 1557 1556 1558 1559 CONECT 1558 1550 1553 1557 CONECT 1559 1557 CONECT 1560 1556 CONECT 1561 1555 CONECT 1562 1554 CONECT 1563 1552 CONECT 1564 1551 CONECT 1565 1549 CONECT 1566 1549 CONECT 1567 1548 1568 1569 CONECT 1568 1567 CONECT 1569 1567 1570 1736 CONECT 1570 1569 1571 1720 1735 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1719 CONECT 1574 1573 1575 1579 1718 CONECT 1575 1574 1576 1577 1578 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1575 CONECT 1579 1574 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 1717 CONECT 1582 1581 1583 1708 1716 CONECT 1583 1582 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1707 CONECT 1586 1585 1587 1689 1706 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 1590 1688 CONECT 1590 1589 1591 1678 1687 CONECT 1591 1590 1592 1593 CONECT 1592 1591 CONECT 1593 1591 1594 1677 CONECT 1594 1593 1595 1660 1676 CONECT 1595 1594 1596 1597 CONECT 1596 1595 CONECT 1597 1595 1598 1659 CONECT 1598 1597 1599 1612 1658 CONECT 1599 1598 1600 1610 1611 CONECT 1600 1599 1601 1605 1609 CONECT 1601 1600 1602 1603 1604 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1601 CONECT 1605 1600 1606 1607 1608 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1605 CONECT 1609 1600 CONECT 1610 1599 CONECT 1611 1599 CONECT 1612 1598 1613 1614 CONECT 1613 1612 CONECT 1614 1612 1615 1657 CONECT 1615 1614 1616 1629 1656 CONECT 1616 1615 1617 1627 1628 CONECT 1617 1616 1618 1622 1626 CONECT 1618 1617 1619 1620 1621 CONECT 1619 1618 CONECT 1620 1618 CONECT 1621 1618 CONECT 1622 1617 1623 1624 1625 CONECT 1623 1622 CONECT 1624 1622 CONECT 1625 1622 CONECT 1626 1617 CONECT 1627 1616 CONECT 1628 1616 CONECT 1629 1615 1630 1631 CONECT 1630 1629 CONECT 1631 1629 1632 1655 CONECT 1632 1631 1633 1651 1654 CONECT 1633 1632 1634 1649 1650 CONECT 1634 1633 1635 1647 1648 CONECT 1635 1634 1636 1645 1646 CONECT 1636 1635 1637 1644 CONECT 1637 1636 1638 1641 CONECT 1638 1637 1639 1640 CONECT 1639 1638 CONECT 1640 1638 CONECT 1641 1637 1642 1643 CONECT 1642 1641 CONECT 1643 1641 CONECT 1644 1636 CONECT 1645 1635 CONECT 1646 1635 CONECT 1647 1634 CONECT 1648 1634 CONECT 1649 1633 CONECT 1650 1633 CONECT 1651 1632 1652 1653 CONECT 1652 1651 CONECT 1653 1651 CONECT 1654 1632 CONECT 1655 1631 CONECT 1656 1615 CONECT 1657 1614 CONECT 1658 1598 CONECT 1659 1597 CONECT 1660 1594 1661 1674 1675 CONECT 1661 1660 1662 1672 1673 CONECT 1662 1661 1663 1670 1671 CONECT 1663 1662 1664 1668 1669 CONECT 1664 1663 1665 1666 1667 CONECT 1665 1664 CONECT 1666 1664 CONECT 1667 1664 CONECT 1668 1663 CONECT 1669 1663 CONECT 1670 1662 CONECT 1671 1662 CONECT 1672 1661 CONECT 1673 1661 CONECT 1674 1660 CONECT 1675 1660 CONECT 1676 1594 CONECT 1677 1593 CONECT 1678 1590 1679 1685 1686 CONECT 1679 1678 1680 1683 1684 CONECT 1680 1679 1681 1682 CONECT 1681 1680 CONECT 1682 1680 CONECT 1683 1679 CONECT 1684 1679 CONECT 1685 1678 CONECT 1686 1678 CONECT 1687 1590 CONECT 1688 1589 CONECT 1689 1586 1690 1704 1705 CONECT 1690 1689 1691 1699 CONECT 1691 1690 1692 1703 CONECT 1692 1691 1693 1702 CONECT 1693 1692 1694 1698 CONECT 1694 1693 1695 1696 1697 CONECT 1695 1694 CONECT 1696 1694 CONECT 1697 1694 CONECT 1698 1693 1699 1701 CONECT 1699 1690 1698 1700 CONECT 1700 1699 CONECT 1701 1698 CONECT 1702 1692 CONECT 1703 1691 CONECT 1704 1689 CONECT 1705 1689 CONECT 1706 1586 CONECT 1707 1585 CONECT 1708 1582 1709 1714 1715 CONECT 1709 1708 1710 1711 CONECT 1710 1709 CONECT 1711 1709 1712 1713 CONECT 1712 1711 CONECT 1713 1711 CONECT 1714 1708 CONECT 1715 1708 CONECT 1716 1582 CONECT 1717 1581 CONECT 1718 1574 CONECT 1719 1573 CONECT 1720 1570 1721 1733 1734 CONECT 1721 1720 1722 1726 CONECT 1722 1721 1723 1732 CONECT 1723 1722 1724 1731 CONECT 1724 1723 1725 1729 CONECT 1725 1724 1726 1728 CONECT 1726 1721 1725 1727 CONECT 1727 1726 CONECT 1728 1725 CONECT 1729 1724 1730 CONECT 1730 1729 CONECT 1731 1723 CONECT 1732 1722 CONECT 1733 1720 CONECT 1734 1720 CONECT 1735 1570 CONECT 1736 1569 CONECT 1737 1548 CONECT 1738 1547 CONECT 1739 1540 CONECT 1740 1539 CONECT 1741 1539 CONECT 1742 1539 MASTER 0 0 0 0 0 0 0 0 1741 1 208 7 END
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2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3tpx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
12-mer
EC.Number
E.C.6.3.2
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.45nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 6237-6241
Ligand Properties
Formula
C
6
9
H
1
0
1
F
3
N
1
7
O
1
6
Molecular Weight
1481.640
Exact Mass
1480.760
No. of atoms
206
No. of bonds
209
Polar Surface Area
566
LOGP Value
1.22 (
Computed with XLOGP3
)
1.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CCC[NH+]=C(N)N)CC(C)C)CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]([NH3+])C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C)CC(=O)N)Cc1ccc(cc1)C(F)(F)F)CCC(=O)O
InChI String
InChI=1S/C69H98F3N17O16/c1-35(2)28-49(62(99)83-48(67(104)105)15-11-27-78-68(76)77)87-63(100)50(29-36(3)4)86-59(96)46(14-9-10-26-73)81-60(97)47(24-25-56(92)93)82-64(101)52(30-39-16-20-42(21-17-39)69(70,71)72)89-66(103)54(33-55(75)91)85-58(95)38(6)80-61(98)51(31-40-18-22-43(90)23-19-40)88-65(102)53(84-57(94)37(5)74)32-41-34-79-45-13-8-7-12-44(41)45/h7-8,12-13,16-23,34-38,46-54,79,90H,9-11,14-15,24-33,73-74H2,1-6H3,(H2,75,91)(H,80,98)(H,81,97)(H,82,101)(H,83,99)(H,84,94)(H,85,95)(H,86,96)(H,87,100)(H,88,102)(H,89,103)(H,92,93)(H,104,105)(H4,76,77,78)/p+3/t37-,38-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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