Browse entries in the PDBbind-CN Database
HEADER 3JZS_COMPLEX COMPND 3JZS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 83 THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU SEQRES 2 A 83 LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS SEQRES 3 A 83 GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS SEQRES 4 A 83 ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SEQRES 5 A 83 SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SER SEQRES 6 A 83 PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE SEQRES 7 A 83 TYR ARG ASN LEU VAL HET GLU A 139 209 ATOM 1 N THR A 26 -31.631 11.567 -11.903 1.00 54.34 N ATOM 2 CA THR A 26 -30.586 12.612 -12.184 1.00 54.34 C ATOM 3 C THR A 26 -29.488 12.086 -13.107 1.00 52.38 C ATOM 4 O THR A 26 -28.492 11.531 -12.633 1.00 52.50 O ATOM 5 CB THR A 26 -29.891 13.094 -10.878 1.00 55.78 C ATOM 6 OG1 THR A 26 -30.858 13.687 -10.006 1.00 57.35 O ATOM 7 CG2 THR A 26 -28.803 14.131 -11.193 1.00 57.01 C ATOM 8 HA THR A 26 -31.118 13.436 -12.661 1.00 0.00 H ATOM 9 HB THR A 26 -29.433 12.230 -10.396 1.00 0.00 H ATOM 10 HG1 THR A 26 -30.410 13.992 -9.177 1.00 0.00 H ATOM 11 HG23 THR A 26 -28.061 13.687 -11.857 1.00 0.00 H ATOM 12 HG21 THR A 26 -29.256 14.995 -11.678 1.00 0.00 H ATOM 13 HG22 THR A 26 -28.322 14.444 -10.266 1.00 0.00 H ATOM 14 HN3 THR A 26 -31.185 10.747 -11.445 1.00 0.00 H ATOM 15 HN2 THR A 26 -32.071 11.269 -12.797 1.00 0.00 H ATOM 16 HN1 THR A 26 -32.357 11.965 -11.273 1.00 0.00 H ATOM 17 N LEU A 27 -29.657 12.259 -14.418 1.00 50.29 N ATOM 18 CA LEU A 27 -28.653 11.793 -15.380 1.00 46.35 C ATOM 19 C LEU A 27 -27.602 12.868 -15.615 1.00 44.17 C ATOM 20 O LEU A 27 -27.920 14.052 -15.651 1.00 43.30 O ATOM 21 CB LEU A 27 -29.317 11.407 -16.701 1.00 47.16 C ATOM 22 CG LEU A 27 -29.991 10.034 -16.732 1.00 47.46 C ATOM 23 CD1 LEU A 27 -30.825 9.827 -15.476 1.00 48.61 C ATOM 24 CD2 LEU A 27 -30.858 9.937 -17.978 1.00 49.35 C ATOM 25 HA LEU A 27 -28.164 10.912 -14.965 1.00 0.00 H ATOM 26 HB2 LEU A 27 -30.075 12.157 -16.926 1.00 0.00 H ATOM 27 HB3 LEU A 27 -28.552 11.422 -17.477 1.00 0.00 H ATOM 28 HG LEU A 27 -29.232 9.252 -16.762 1.00 0.00 H ATOM 29 HD21 LEU A 27 -31.617 10.719 -17.953 1.00 0.00 H ATOM 30 HD22 LEU A 27 -30.235 10.062 -18.863 1.00 0.00 H ATOM 31 HD23 LEU A 27 -31.342 8.961 -18.007 1.00 0.00 H ATOM 32 HD11 LEU A 27 -30.180 9.888 -14.599 1.00 0.00 H ATOM 33 HD12 LEU A 27 -31.592 10.600 -15.419 1.00 0.00 H ATOM 34 HD13 LEU A 27 -31.298 8.846 -15.513 1.00 0.00 H ATOM 35 H LEU A 27 -30.516 12.733 -14.764 1.00 0.00 H ATOM 36 N VAL A 28 -26.347 12.450 -15.767 1.00 41.20 N ATOM 37 CA VAL A 28 -25.249 13.388 -15.977 1.00 38.14 C ATOM 38 C VAL A 28 -24.388 13.014 -17.186 1.00 35.19 C ATOM 39 O VAL A 28 -24.414 11.871 -17.652 1.00 34.87 O ATOM 40 CB VAL A 28 -24.374 13.487 -14.726 1.00 36.91 C ATOM 41 CG1 VAL A 28 -25.244 13.888 -13.537 1.00 38.19 C ATOM 42 CG2 VAL A 28 -23.666 12.168 -14.477 1.00 36.27 C ATOM 43 HA VAL A 28 -25.700 14.359 -16.180 1.00 0.00 H ATOM 44 HB VAL A 28 -23.608 14.249 -14.868 1.00 0.00 H ATOM 45 HG11 VAL A 28 -25.708 14.854 -13.737 1.00 0.00 H ATOM 46 HG12 VAL A 28 -26.018 13.136 -13.385 1.00 0.00 H ATOM 47 HG13 VAL A 28 -24.625 13.960 -12.643 1.00 0.00 H ATOM 48 HG21 VAL A 28 -24.406 11.381 -14.334 1.00 0.00 H ATOM 49 HG22 VAL A 28 -23.038 11.927 -15.335 1.00 0.00 H ATOM 50 HG23 VAL A 28 -23.047 12.252 -13.584 1.00 0.00 H ATOM 51 H VAL A 28 -26.144 11.430 -15.735 1.00 0.00 H ATOM 52 N ARG A 29 -23.638 13.989 -17.689 1.00 33.86 N ATOM 53 CA ARG A 29 -22.782 13.792 -18.874 1.00 32.79 C ATOM 54 C ARG A 29 -21.376 14.266 -18.542 1.00 30.55 C ATOM 55 O ARG A 29 -21.063 15.444 -18.605 1.00 31.69 O ATOM 56 CB ARG A 29 -23.317 14.605 -20.047 1.00 35.42 C ATOM 57 CG ARG A 29 -24.750 14.313 -20.428 1.00 39.04 C ATOM 58 CD ARG A 29 -24.848 13.284 -21.558 1.00 40.59 C ATOM 59 NE ARG A 29 -24.020 13.672 -22.694 1.00 41.25 N ATOM 60 CZ ARG A 29 -23.822 12.916 -23.765 1.00 40.35 C ATOM 61 NH1 ARG A 29 -24.409 11.722 -23.850 1.00 39.99 N ATOM 62 NH2 ARG A 29 -22.997 13.335 -24.729 1.00 38.71 N ATOM 63 HA ARG A 29 -22.775 12.736 -19.146 1.00 0.00 H ATOM 64 HB2 ARG A 29 -23.245 15.661 -19.787 1.00 0.00 H ATOM 65 HB3 ARG A 29 -22.688 14.402 -20.914 1.00 0.00 H ATOM 66 HG2 ARG A 29 -25.275 13.927 -19.554 1.00 0.00 H ATOM 67 HG3 ARG A 29 -25.223 15.239 -20.754 1.00 0.00 H ATOM 68 HD2 ARG A 29 -25.886 13.209 -21.883 1.00 0.00 H ATOM 69 HD3 ARG A 29 -24.513 12.315 -21.188 1.00 0.00 H ATOM 70 HE ARG A 29 -23.555 14.602 -22.662 1.00 0.00 H ATOM 71 HH12 ARG A 29 -24.256 11.126 -24.688 1.00 0.00 H ATOM 72 HH11 ARG A 29 -25.020 11.387 -23.078 1.00 0.00 H ATOM 73 HH22 ARG A 29 -22.839 12.745 -25.571 1.00 0.00 H ATOM 74 HH21 ARG A 29 -22.513 14.251 -24.638 1.00 0.00 H ATOM 75 H ARG A 29 -23.655 14.923 -17.231 1.00 0.00 H ATOM 76 N PRO A 30 -20.493 13.332 -18.196 1.00 30.13 N ATOM 77 CA PRO A 30 -19.107 13.655 -17.842 1.00 30.28 C ATOM 78 C PRO A 30 -18.319 14.380 -18.914 1.00 30.70 C ATOM 79 O PRO A 30 -18.449 14.095 -20.108 1.00 31.77 O ATOM 80 CB PRO A 30 -18.465 12.282 -17.588 1.00 27.58 C ATOM 81 CG PRO A 30 -19.594 11.397 -17.275 1.00 28.85 C ATOM 82 CD PRO A 30 -20.707 11.876 -18.184 1.00 30.58 C ATOM 83 HA PRO A 30 -19.099 14.341 -16.995 1.00 0.00 H ATOM 84 HD3 PRO A 30 -20.610 11.454 -19.184 1.00 0.00 H ATOM 85 HD2 PRO A 30 -21.686 11.623 -17.777 1.00 0.00 H ATOM 86 HG3 PRO A 30 -19.882 11.493 -16.228 1.00 0.00 H ATOM 87 HG2 PRO A 30 -19.341 10.358 -17.487 1.00 0.00 H ATOM 88 HB2 PRO A 30 -17.937 11.934 -18.476 1.00 0.00 H ATOM 89 HB3 PRO A 30 -17.770 12.331 -16.750 1.00 0.00 H ATOM 90 N LYS A 31 -17.478 15.304 -18.475 1.00 32.20 N ATOM 91 CA LYS A 31 -16.600 16.002 -19.402 1.00 33.66 C ATOM 92 C LYS A 31 -15.531 14.995 -19.866 1.00 32.98 C ATOM 93 O LYS A 31 -15.365 13.936 -19.287 1.00 31.54 O ATOM 94 CB LYS A 31 -15.951 17.202 -18.707 1.00 34.55 C ATOM 95 CG LYS A 31 -16.910 18.306 -18.349 1.00 37.90 C ATOM 96 CD LYS A 31 -16.108 19.537 -17.929 1.00 41.18 C ATOM 97 CE LYS A 31 -16.931 20.473 -17.089 1.00 45.14 C ATOM 98 NZ LYS A 31 -16.249 21.800 -16.917 1.00 46.71 N ATOM 99 HA LYS A 31 -17.158 16.381 -20.258 1.00 0.00 H ATOM 100 HB2 LYS A 31 -15.478 16.851 -17.790 1.00 0.00 H ATOM 101 HB3 LYS A 31 -15.191 17.612 -19.373 1.00 0.00 H ATOM 102 HG2 LYS A 31 -17.529 18.549 -19.213 1.00 0.00 H ATOM 103 HG3 LYS A 31 -17.548 17.985 -17.525 1.00 0.00 H ATOM 104 HD2 LYS A 31 -15.240 19.215 -17.353 1.00 0.00 H ATOM 105 HD3 LYS A 31 -15.774 20.064 -18.823 1.00 0.00 H ATOM 106 HE2 LYS A 31 -17.087 20.025 -16.108 1.00 0.00 H ATOM 107 HE3 LYS A 31 -17.895 20.630 -17.573 1.00 0.00 H ATOM 108 HZ1 LYS A 31 -15.330 21.658 -16.450 1.00 0.00 H ATOM 109 HZ2 LYS A 31 -16.102 22.236 -17.850 1.00 0.00 H ATOM 110 HZ3 LYS A 31 -16.844 22.421 -16.333 1.00 0.00 H ATOM 111 H LYS A 31 -17.445 15.532 -17.461 1.00 0.00 H ATOM 112 N PRO A 32 -14.780 15.322 -20.936 1.00 33.76 N ATOM 113 CA PRO A 32 -13.743 14.438 -21.467 1.00 32.61 C ATOM 114 C PRO A 32 -12.785 13.765 -20.470 1.00 31.31 C ATOM 115 O PRO A 32 -12.546 12.559 -20.559 1.00 31.67 O ATOM 116 CB PRO A 32 -13.000 15.328 -22.469 1.00 34.33 C ATOM 117 CG PRO A 32 -14.077 16.280 -22.931 1.00 36.49 C ATOM 118 CD PRO A 32 -14.807 16.616 -21.646 1.00 33.99 C ATOM 119 HA PRO A 32 -14.216 13.552 -21.891 1.00 0.00 H ATOM 120 HD3 PRO A 32 -14.284 17.389 -21.083 1.00 0.00 H ATOM 121 HD2 PRO A 32 -15.829 16.940 -21.843 1.00 0.00 H ATOM 122 HG3 PRO A 32 -14.744 15.800 -23.647 1.00 0.00 H ATOM 123 HG2 PRO A 32 -13.644 17.173 -23.381 1.00 0.00 H ATOM 124 HB2 PRO A 32 -12.182 15.864 -21.988 1.00 0.00 H ATOM 125 HB3 PRO A 32 -12.610 14.742 -23.301 1.00 0.00 H ATOM 126 N LEU A 33 -12.233 14.506 -19.519 1.00 30.56 N ATOM 127 CA LEU A 33 -11.286 13.858 -18.601 1.00 31.61 C ATOM 128 C LEU A 33 -11.957 12.818 -17.668 1.00 30.57 C ATOM 129 O LEU A 33 -11.422 11.704 -17.457 1.00 29.28 O ATOM 130 CB LEU A 33 -10.529 14.912 -17.778 1.00 31.32 C ATOM 131 CG LEU A 33 -9.483 14.386 -16.768 1.00 35.61 C ATOM 132 CD1 LEU A 33 -8.329 13.667 -17.508 1.00 37.90 C ATOM 133 CD2 LEU A 33 -8.953 15.570 -15.897 1.00 36.04 C ATOM 134 HA LEU A 33 -10.579 13.307 -19.221 1.00 0.00 H ATOM 135 HB2 LEU A 33 -10.012 15.568 -18.478 1.00 0.00 H ATOM 136 HB3 LEU A 33 -11.267 15.488 -17.220 1.00 0.00 H ATOM 137 HG LEU A 33 -9.953 13.657 -16.108 1.00 0.00 H ATOM 138 HD21 LEU A 33 -8.490 16.316 -16.543 1.00 0.00 H ATOM 139 HD22 LEU A 33 -9.784 16.022 -15.356 1.00 0.00 H ATOM 140 HD23 LEU A 33 -8.216 15.195 -15.187 1.00 0.00 H ATOM 141 HD11 LEU A 33 -8.730 12.826 -18.074 1.00 0.00 H ATOM 142 HD12 LEU A 33 -7.844 14.367 -18.189 1.00 0.00 H ATOM 143 HD13 LEU A 33 -7.603 13.304 -16.781 1.00 0.00 H ATOM 144 H LEU A 33 -12.463 15.516 -19.426 1.00 0.00 H ATOM 145 N LEU A 34 -13.111 13.164 -17.119 1.00 28.14 N ATOM 146 CA LEU A 34 -13.795 12.216 -16.225 1.00 27.81 C ATOM 147 C LEU A 34 -14.291 11.055 -17.075 1.00 28.91 C ATOM 148 O LEU A 34 -14.304 9.901 -16.650 1.00 27.94 O ATOM 149 CB LEU A 34 -14.986 12.897 -15.564 1.00 28.02 C ATOM 150 CG LEU A 34 -15.925 12.017 -14.727 1.00 28.68 C ATOM 151 CD1 LEU A 34 -15.080 11.353 -13.675 1.00 26.03 C ATOM 152 CD2 LEU A 34 -17.016 12.847 -14.084 1.00 26.25 C ATOM 153 HA LEU A 34 -13.113 11.868 -15.449 1.00 0.00 H ATOM 154 HB2 LEU A 34 -14.596 13.676 -14.909 1.00 0.00 H ATOM 155 HB3 LEU A 34 -15.582 13.354 -16.354 1.00 0.00 H ATOM 156 HG LEU A 34 -16.418 11.277 -15.357 1.00 0.00 H ATOM 157 HD21 LEU A 34 -16.565 13.596 -13.433 1.00 0.00 H ATOM 158 HD22 LEU A 34 -17.599 13.342 -14.860 1.00 0.00 H ATOM 159 HD23 LEU A 34 -17.666 12.198 -13.497 1.00 0.00 H ATOM 160 HD11 LEU A 34 -14.311 10.749 -14.156 1.00 0.00 H ATOM 161 HD12 LEU A 34 -14.609 12.115 -13.054 1.00 0.00 H ATOM 162 HD13 LEU A 34 -15.709 10.715 -13.054 1.00 0.00 H ATOM 163 H LEU A 34 -13.529 14.095 -17.317 1.00 0.00 H ATOM 164 N LEU A 35 -14.708 11.357 -18.310 1.00 28.25 N ATOM 165 CA LEU A 35 -15.201 10.285 -19.137 1.00 29.04 C ATOM 166 C LEU A 35 -14.069 9.309 -19.433 1.00 29.91 C ATOM 167 O LEU A 35 -14.281 8.100 -19.427 1.00 31.27 O ATOM 168 CB LEU A 35 -15.819 10.843 -20.433 1.00 32.38 C ATOM 169 CG LEU A 35 -16.646 9.857 -21.235 1.00 30.33 C ATOM 170 CD1 LEU A 35 -17.902 9.451 -20.488 1.00 32.96 C ATOM 171 CD2 LEU A 35 -17.056 10.554 -22.557 1.00 33.59 C ATOM 172 HA LEU A 35 -15.988 9.749 -18.606 1.00 0.00 H ATOM 173 HB2 LEU A 35 -16.461 11.682 -20.166 1.00 0.00 H ATOM 174 HB3 LEU A 35 -15.007 11.197 -21.068 1.00 0.00 H ATOM 175 HG LEU A 35 -16.056 8.959 -21.417 1.00 0.00 H ATOM 176 HD21 LEU A 35 -17.641 11.445 -22.330 1.00 0.00 H ATOM 177 HD22 LEU A 35 -16.160 10.837 -23.110 1.00 0.00 H ATOM 178 HD23 LEU A 35 -17.654 9.868 -23.158 1.00 0.00 H ATOM 179 HD11 LEU A 35 -17.626 8.983 -19.543 1.00 0.00 H ATOM 180 HD12 LEU A 35 -18.509 10.335 -20.294 1.00 0.00 H ATOM 181 HD13 LEU A 35 -18.470 8.744 -21.092 1.00 0.00 H ATOM 182 H LEU A 35 -14.677 12.335 -18.662 1.00 0.00 H ATOM 183 N LYS A 36 -12.857 9.822 -19.653 1.00 29.45 N ATOM 184 CA LYS A 36 -11.701 8.962 -19.941 1.00 29.68 C ATOM 185 C LYS A 36 -11.451 8.035 -18.730 1.00 29.76 C ATOM 186 O LYS A 36 -11.178 6.835 -18.879 1.00 31.23 O ATOM 187 CB LYS A 36 -10.458 9.828 -20.241 1.00 31.14 C ATOM 188 CG LYS A 36 -9.128 9.078 -20.348 1.00 31.82 C ATOM 189 CD LYS A 36 -7.990 10.096 -20.543 1.00 32.49 C ATOM 190 CE LYS A 36 -6.616 9.431 -20.525 1.00 35.54 C ATOM 191 NZ LYS A 36 -6.496 8.472 -21.659 1.00 35.55 N ATOM 192 HA LYS A 36 -11.902 8.350 -20.820 1.00 0.00 H ATOM 193 HB2 LYS A 36 -10.629 10.341 -21.187 1.00 0.00 H ATOM 194 HB3 LYS A 36 -10.363 10.564 -19.442 1.00 0.00 H ATOM 195 HG2 LYS A 36 -8.956 8.508 -19.435 1.00 0.00 H ATOM 196 HG3 LYS A 36 -9.160 8.398 -21.199 1.00 0.00 H ATOM 197 HD2 LYS A 36 -8.126 10.597 -21.502 1.00 0.00 H ATOM 198 HD3 LYS A 36 -8.035 10.832 -19.740 1.00 0.00 H ATOM 199 HE2 LYS A 36 -6.487 8.896 -19.584 1.00 0.00 H ATOM 200 HE3 LYS A 36 -5.844 10.195 -20.616 1.00 0.00 H ATOM 201 HZ1 LYS A 36 -7.231 7.741 -21.572 1.00 0.00 H ATOM 202 HZ2 LYS A 36 -6.617 8.982 -22.557 1.00 0.00 H ATOM 203 HZ3 LYS A 36 -5.557 8.026 -21.636 1.00 0.00 H ATOM 204 H LYS A 36 -12.728 10.853 -19.620 1.00 0.00 H ATOM 205 N LEU A 37 -11.576 8.594 -17.531 1.00 28.21 N ATOM 206 CA LEU A 37 -11.386 7.800 -16.304 1.00 27.29 C ATOM 207 C LEU A 37 -12.416 6.648 -16.230 1.00 27.60 C ATOM 208 O LEU A 37 -12.038 5.479 -16.096 1.00 28.19 O ATOM 209 CB LEU A 37 -11.502 8.734 -15.085 1.00 27.38 C ATOM 210 CG LEU A 37 -11.280 8.100 -13.690 1.00 26.02 C ATOM 211 CD1 LEU A 37 -10.920 9.177 -12.679 1.00 29.20 C ATOM 212 CD2 LEU A 37 -12.528 7.343 -13.275 1.00 25.19 C ATOM 213 HA LEU A 37 -10.396 7.344 -16.312 1.00 0.00 H ATOM 214 HB2 LEU A 37 -10.765 9.527 -15.207 1.00 0.00 H ATOM 215 HB3 LEU A 37 -12.503 9.165 -15.095 1.00 0.00 H ATOM 216 HG LEU A 37 -10.450 7.395 -13.733 1.00 0.00 H ATOM 217 HD21 LEU A 37 -13.372 8.032 -13.232 1.00 0.00 H ATOM 218 HD22 LEU A 37 -12.734 6.558 -14.003 1.00 0.00 H ATOM 219 HD23 LEU A 37 -12.371 6.897 -12.293 1.00 0.00 H ATOM 220 HD11 LEU A 37 -10.005 9.679 -12.995 1.00 0.00 H ATOM 221 HD12 LEU A 37 -11.731 9.902 -12.618 1.00 0.00 H ATOM 222 HD13 LEU A 37 -10.766 8.719 -11.702 1.00 0.00 H ATOM 223 H LEU A 37 -11.811 9.604 -17.458 1.00 0.00 H ATOM 224 N LEU A 38 -13.705 6.969 -16.364 1.00 27.74 N ATOM 225 CA LEU A 38 -14.769 5.959 -16.292 1.00 28.36 C ATOM 226 C LEU A 38 -14.619 4.886 -17.383 1.00 31.19 C ATOM 227 O LEU A 38 -14.724 3.670 -17.123 1.00 31.26 O ATOM 228 CB LEU A 38 -16.157 6.635 -16.368 1.00 28.68 C ATOM 229 CG LEU A 38 -16.481 7.758 -15.384 1.00 27.93 C ATOM 230 CD1 LEU A 38 -17.732 8.517 -15.822 1.00 27.15 C ATOM 231 CD2 LEU A 38 -16.668 7.194 -13.953 1.00 28.52 C ATOM 232 HA LEU A 38 -14.679 5.451 -15.332 1.00 0.00 H ATOM 233 HB2 LEU A 38 -16.258 7.048 -17.372 1.00 0.00 H ATOM 234 HB3 LEU A 38 -16.903 5.854 -16.221 1.00 0.00 H ATOM 235 HG LEU A 38 -15.641 8.453 -15.376 1.00 0.00 H ATOM 236 HD21 LEU A 38 -17.488 6.475 -13.951 1.00 0.00 H ATOM 237 HD22 LEU A 38 -15.750 6.700 -13.636 1.00 0.00 H ATOM 238 HD23 LEU A 38 -16.898 8.011 -13.269 1.00 0.00 H ATOM 239 HD11 LEU A 38 -17.566 8.950 -16.809 1.00 0.00 H ATOM 240 HD12 LEU A 38 -18.577 7.830 -15.863 1.00 0.00 H ATOM 241 HD13 LEU A 38 -17.943 9.311 -15.106 1.00 0.00 H ATOM 242 H LEU A 38 -13.963 7.964 -16.524 1.00 0.00 H ATOM 243 N LYS A 39 -14.320 5.308 -18.604 1.00 32.75 N ATOM 244 CA LYS A 39 -14.155 4.313 -19.664 1.00 33.99 C ATOM 245 C LYS A 39 -12.951 3.399 -19.401 1.00 34.35 C ATOM 246 O LYS A 39 -12.972 2.215 -19.761 1.00 35.43 O ATOM 247 CB LYS A 39 -14.069 5.036 -21.025 1.00 35.34 C ATOM 248 CG LYS A 39 -15.341 5.870 -21.307 1.00 38.99 C ATOM 249 CD LYS A 39 -15.472 6.298 -22.765 1.00 40.64 C ATOM 250 CE LYS A 39 -16.948 6.467 -23.145 1.00 42.22 C ATOM 251 NZ LYS A 39 -17.153 6.913 -24.574 1.00 42.52 N ATOM 252 HA LYS A 39 -15.023 3.654 -19.681 1.00 0.00 H ATOM 253 HB2 LYS A 39 -13.204 5.700 -21.020 1.00 0.00 H ATOM 254 HB3 LYS A 39 -13.950 4.293 -21.814 1.00 0.00 H ATOM 255 HG2 LYS A 39 -16.213 5.272 -21.042 1.00 0.00 H ATOM 256 HG3 LYS A 39 -15.313 6.765 -20.685 1.00 0.00 H ATOM 257 HD2 LYS A 39 -14.954 7.246 -22.909 1.00 0.00 H ATOM 258 HD3 LYS A 39 -15.022 5.538 -23.404 1.00 0.00 H ATOM 259 HE2 LYS A 39 -17.392 7.211 -22.484 1.00 0.00 H ATOM 260 HE3 LYS A 39 -17.453 5.511 -23.005 1.00 0.00 H ATOM 261 HZ1 LYS A 39 -16.685 7.830 -24.720 1.00 0.00 H ATOM 262 HZ2 LYS A 39 -16.743 6.207 -25.218 1.00 0.00 H ATOM 263 HZ3 LYS A 39 -18.171 7.007 -24.764 1.00 0.00 H ATOM 264 H LYS A 39 -14.205 6.322 -18.803 1.00 0.00 H ATOM 265 N SER A 40 -11.918 3.932 -18.741 1.00 33.66 N ATOM 266 CA SER A 40 -10.735 3.139 -18.427 1.00 32.92 C ATOM 267 C SER A 40 -11.028 1.933 -17.512 1.00 31.81 C ATOM 268 O SER A 40 -10.239 0.979 -17.467 1.00 31.69 O ATOM 269 CB SER A 40 -9.624 4.019 -17.825 1.00 33.54 C ATOM 270 OG SER A 40 -9.777 4.258 -16.424 1.00 33.74 O ATOM 271 HA SER A 40 -10.390 2.728 -19.376 1.00 0.00 H ATOM 272 HB2 SER A 40 -9.628 4.979 -18.341 1.00 0.00 H ATOM 273 HB3 SER A 40 -8.666 3.524 -17.988 1.00 0.00 H ATOM 274 HG SER A 40 -10.639 4.717 -16.261 1.00 0.00 H ATOM 275 H SER A 40 -11.959 4.929 -18.447 1.00 0.00 H ATOM 276 N VAL A 41 -12.159 1.971 -16.803 1.00 30.97 N ATOM 277 CA VAL A 41 -12.551 0.857 -15.947 1.00 29.88 C ATOM 278 C VAL A 41 -13.781 0.078 -16.456 1.00 33.25 C ATOM 279 O VAL A 41 -14.540 -0.520 -15.681 1.00 32.02 O ATOM 280 CB VAL A 41 -12.753 1.266 -14.428 1.00 29.16 C ATOM 281 CG1 VAL A 41 -11.418 1.503 -13.807 1.00 30.22 C ATOM 282 CG2 VAL A 41 -13.583 2.536 -14.271 1.00 27.46 C ATOM 283 HA VAL A 41 -11.696 0.184 -16.000 1.00 0.00 H ATOM 284 HB VAL A 41 -13.285 0.450 -13.940 1.00 0.00 H ATOM 285 HG11 VAL A 41 -10.824 0.591 -13.867 1.00 0.00 H ATOM 286 HG12 VAL A 41 -10.908 2.306 -14.340 1.00 0.00 H ATOM 287 HG13 VAL A 41 -11.550 1.785 -12.762 1.00 0.00 H ATOM 288 HG21 VAL A 41 -13.082 3.361 -14.778 1.00 0.00 H ATOM 289 HG22 VAL A 41 -14.568 2.382 -14.712 1.00 0.00 H ATOM 290 HG23 VAL A 41 -13.690 2.770 -13.212 1.00 0.00 H ATOM 291 H VAL A 41 -12.771 2.810 -16.862 1.00 0.00 H ATOM 292 N GLY A 42 -13.980 0.080 -17.774 1.00 35.47 N ATOM 293 CA GLY A 42 -15.084 -0.693 -18.326 1.00 35.77 C ATOM 294 C GLY A 42 -16.396 -0.010 -18.641 1.00 37.29 C ATOM 295 O GLY A 42 -17.287 -0.664 -19.197 1.00 36.56 O ATOM 296 HA3 GLY A 42 -15.304 -1.485 -17.610 1.00 0.00 H ATOM 297 HA2 GLY A 42 -14.726 -1.135 -19.256 1.00 0.00 H ATOM 298 H GLY A 42 -13.355 0.627 -18.400 1.00 0.00 H ATOM 299 N ALA A 43 -16.547 1.257 -18.260 1.00 36.44 N ATOM 300 CA ALA A 43 -17.770 2.011 -18.540 1.00 40.18 C ATOM 301 C ALA A 43 -17.798 2.298 -20.050 1.00 42.39 C ATOM 302 O ALA A 43 -16.849 2.839 -20.624 1.00 44.47 O ATOM 303 CB ALA A 43 -17.792 3.328 -17.752 1.00 39.23 C ATOM 304 HA ALA A 43 -18.644 1.434 -18.238 1.00 0.00 H ATOM 305 HB1 ALA A 43 -17.749 3.112 -16.684 1.00 0.00 H ATOM 306 HB2 ALA A 43 -16.932 3.934 -18.036 1.00 0.00 H ATOM 307 HB3 ALA A 43 -18.711 3.870 -17.977 1.00 0.00 H ATOM 308 H ALA A 43 -15.772 1.725 -17.748 1.00 0.00 H ATOM 309 N GLN A 44 -18.905 1.961 -20.684 1.00 44.71 N ATOM 310 CA GLN A 44 -19.016 2.130 -22.129 1.00 46.06 C ATOM 311 C GLN A 44 -20.171 3.052 -22.507 1.00 46.59 C ATOM 312 O GLN A 44 -20.909 2.771 -23.453 1.00 48.27 O ATOM 313 CB GLN A 44 -19.226 0.747 -22.768 1.00 46.67 C ATOM 314 CG GLN A 44 -18.073 -0.261 -22.580 1.00 50.04 C ATOM 315 CD GLN A 44 -18.526 -1.719 -22.755 1.00 51.81 C ATOM 316 OE1 GLN A 44 -19.396 -2.024 -23.584 1.00 51.82 O ATOM 317 NE2 GLN A 44 -17.932 -2.622 -21.978 1.00 52.46 N ATOM 318 HA GLN A 44 -18.099 2.591 -22.496 1.00 0.00 H ATOM 319 HB2 GLN A 44 -20.126 0.311 -22.334 1.00 0.00 H ATOM 320 HB3 GLN A 44 -19.373 0.892 -23.838 1.00 0.00 H ATOM 321 HG2 GLN A 44 -17.298 -0.046 -23.315 1.00 0.00 H ATOM 322 HG3 GLN A 44 -17.664 -0.141 -21.577 1.00 0.00 H ATOM 323 HE22 GLN A 44 -17.207 -2.324 -21.295 1.00 0.00 H ATOM 324 HE21 GLN A 44 -18.193 -3.626 -22.054 1.00 0.00 H ATOM 325 H GLN A 44 -19.707 1.571 -20.148 1.00 0.00 H ATOM 326 N LYS A 45 -20.325 4.157 -21.790 1.00 46.04 N ATOM 327 CA LYS A 45 -21.428 5.079 -22.068 1.00 44.82 C ATOM 328 C LYS A 45 -21.005 6.525 -21.886 1.00 43.34 C ATOM 329 O LYS A 45 -19.930 6.792 -21.353 1.00 43.90 O ATOM 330 CB LYS A 45 -22.615 4.750 -21.154 1.00 45.90 C ATOM 331 CG LYS A 45 -22.194 4.247 -19.779 1.00 47.78 C ATOM 332 CD LYS A 45 -23.359 4.212 -18.767 1.00 48.92 C ATOM 333 CE LYS A 45 -24.384 3.119 -19.034 1.00 49.23 C ATOM 334 NZ LYS A 45 -25.603 3.373 -18.199 1.00 49.87 N ATOM 335 HA LYS A 45 -21.725 4.954 -23.109 1.00 0.00 H ATOM 336 HB2 LYS A 45 -23.213 5.652 -21.025 1.00 0.00 H ATOM 337 HB3 LYS A 45 -23.219 3.980 -21.634 1.00 0.00 H ATOM 338 HG2 LYS A 45 -21.795 3.238 -19.885 1.00 0.00 H ATOM 339 HG3 LYS A 45 -21.416 4.905 -19.391 1.00 0.00 H ATOM 340 HD2 LYS A 45 -22.943 4.055 -17.772 1.00 0.00 H ATOM 341 HD3 LYS A 45 -23.869 5.175 -18.799 1.00 0.00 H ATOM 342 HE2 LYS A 45 -23.959 2.149 -18.775 1.00 0.00 H ATOM 343 HE3 LYS A 45 -24.657 3.124 -20.089 1.00 0.00 H ATOM 344 HZ1 LYS A 45 -25.340 3.368 -17.193 1.00 0.00 H ATOM 345 HZ2 LYS A 45 -26.006 4.299 -18.448 1.00 0.00 H ATOM 346 HZ3 LYS A 45 -26.306 2.628 -18.379 1.00 0.00 H ATOM 347 H LYS A 45 -19.656 4.371 -21.023 1.00 0.00 H ATOM 348 N ASP A 46 -21.837 7.458 -22.336 1.00 40.67 N ATOM 349 CA ASP A 46 -21.523 8.882 -22.218 1.00 40.13 C ATOM 350 C ASP A 46 -22.496 9.581 -21.271 1.00 38.20 C ATOM 351 O ASP A 46 -22.253 10.717 -20.867 1.00 37.53 O ATOM 352 CB ASP A 46 -21.588 9.580 -23.599 1.00 42.57 C ATOM 353 CG ASP A 46 -20.386 9.285 -24.469 1.00 44.31 C ATOM 354 OD1 ASP A 46 -19.520 8.490 -24.054 1.00 45.79 O ATOM 355 OD2 ASP A 46 -20.292 9.854 -25.582 1.00 45.94 O ATOM 356 HA ASP A 46 -20.511 8.956 -21.819 1.00 0.00 H ATOM 357 HB2 ASP A 46 -22.484 9.240 -24.118 1.00 0.00 H ATOM 358 HB3 ASP A 46 -21.647 10.657 -23.442 1.00 0.00 H ATOM 359 H ASP A 46 -22.731 7.170 -22.782 1.00 0.00 H ATOM 360 N THR A 47 -23.594 8.900 -20.955 1.00 36.66 N ATOM 361 CA THR A 47 -24.622 9.411 -20.053 1.00 36.11 C ATOM 362 C THR A 47 -24.670 8.479 -18.846 1.00 34.86 C ATOM 363 O THR A 47 -24.753 7.249 -19.010 1.00 35.48 O ATOM 364 CB THR A 47 -25.996 9.415 -20.726 1.00 37.85 C ATOM 365 OG1 THR A 47 -25.944 10.260 -21.881 1.00 37.66 O ATOM 366 CG2 THR A 47 -27.072 9.933 -19.764 1.00 35.81 C ATOM 367 HA THR A 47 -24.381 10.435 -19.768 1.00 0.00 H ATOM 368 HB THR A 47 -26.252 8.395 -21.013 1.00 0.00 H ATOM 369 HG1 THR A 47 -26.830 10.268 -22.323 1.00 0.00 H ATOM 370 HG23 THR A 47 -27.112 9.290 -18.885 1.00 0.00 H ATOM 371 HG21 THR A 47 -26.827 10.951 -19.460 1.00 0.00 H ATOM 372 HG22 THR A 47 -28.040 9.925 -20.265 1.00 0.00 H ATOM 373 H THR A 47 -23.727 7.956 -21.371 1.00 0.00 H ATOM 374 N TYR A 48 -24.644 9.070 -17.651 1.00 35.53 N ATOM 375 CA TYR A 48 -24.617 8.288 -16.403 1.00 34.95 C ATOM 376 C TYR A 48 -25.562 8.777 -15.331 1.00 33.73 C ATOM 377 O TYR A 48 -25.997 9.926 -15.340 1.00 35.26 O ATOM 378 CB TYR A 48 -23.197 8.350 -15.776 1.00 33.15 C ATOM 379 CG TYR A 48 -22.071 7.729 -16.582 1.00 33.88 C ATOM 380 CD1 TYR A 48 -21.570 6.470 -16.269 1.00 34.92 C ATOM 381 CD2 TYR A 48 -21.526 8.391 -17.692 1.00 33.85 C ATOM 382 CE1 TYR A 48 -20.556 5.874 -17.050 1.00 34.95 C ATOM 383 CE2 TYR A 48 -20.528 7.809 -18.463 1.00 34.31 C ATOM 384 CZ TYR A 48 -20.052 6.557 -18.140 1.00 32.89 C ATOM 385 OH TYR A 48 -19.102 5.991 -18.919 1.00 33.08 O ATOM 386 HA TYR A 48 -24.920 7.284 -16.702 1.00 0.00 H ATOM 387 HB3 TYR A 48 -23.237 7.838 -14.814 1.00 0.00 H ATOM 388 HB2 TYR A 48 -22.951 9.400 -15.617 1.00 0.00 H ATOM 389 HD2 TYR A 48 -21.893 9.383 -17.955 1.00 0.00 H ATOM 390 HE2 TYR A 48 -20.122 8.342 -19.323 1.00 0.00 H ATOM 391 HE1 TYR A 48 -20.175 4.885 -16.796 1.00 0.00 H ATOM 392 HD1 TYR A 48 -21.967 5.935 -15.406 1.00 0.00 H ATOM 393 HH TYR A 48 -19.448 5.893 -19.841 1.00 0.00 H ATOM 394 H TYR A 48 -24.643 10.109 -17.599 1.00 0.00 H ATOM 395 N THR A 49 -25.878 7.892 -14.386 1.00 32.78 N ATOM 396 CA THR A 49 -26.624 8.325 -13.240 1.00 31.67 C ATOM 397 C THR A 49 -25.417 8.631 -12.317 1.00 30.87 C ATOM 398 O THR A 49 -24.305 8.113 -12.555 1.00 27.78 O ATOM 399 CB THR A 49 -27.460 7.193 -12.567 1.00 33.06 C ATOM 400 OG1 THR A 49 -26.555 6.205 -12.076 1.00 32.56 O ATOM 401 CG2 THR A 49 -28.445 6.523 -13.581 1.00 31.05 C ATOM 402 HA THR A 49 -27.347 9.112 -13.456 1.00 0.00 H ATOM 403 HB THR A 49 -28.052 7.626 -11.761 1.00 0.00 H ATOM 404 HG1 THR A 49 -25.945 6.618 -11.415 1.00 0.00 H ATOM 405 HG23 THR A 49 -29.140 7.273 -13.960 1.00 0.00 H ATOM 406 HG21 THR A 49 -27.878 6.099 -14.410 1.00 0.00 H ATOM 407 HG22 THR A 49 -29.001 5.732 -13.077 1.00 0.00 H ATOM 408 H THR A 49 -25.587 6.898 -14.479 1.00 0.00 H ATOM 409 N MET A 50 -25.631 9.410 -11.264 1.00 30.51 N ATOM 410 CA MET A 50 -24.540 9.732 -10.356 1.00 32.68 C ATOM 411 C MET A 50 -24.016 8.480 -9.655 1.00 31.50 C ATOM 412 O MET A 50 -22.826 8.379 -9.341 1.00 29.88 O ATOM 413 CB MET A 50 -24.960 10.735 -9.278 1.00 34.43 C ATOM 414 CG MET A 50 -24.977 12.207 -9.722 1.00 40.56 C ATOM 415 SD MET A 50 -23.317 12.935 -10.032 1.00 42.42 S ATOM 416 CE MET A 50 -22.469 12.389 -8.524 1.00 39.87 C ATOM 417 HA MET A 50 -23.759 10.175 -10.974 1.00 0.00 H ATOM 418 HB2 MET A 50 -25.964 10.472 -8.945 1.00 0.00 H ATOM 419 HB3 MET A 50 -24.266 10.643 -8.443 1.00 0.00 H ATOM 420 HG2 MET A 50 -25.464 12.792 -8.942 1.00 0.00 H ATOM 421 HG3 MET A 50 -25.556 12.278 -10.643 1.00 0.00 H ATOM 422 HE1 MET A 50 -22.982 12.796 -7.653 1.00 0.00 H ATOM 423 HE2 MET A 50 -22.479 11.300 -8.477 1.00 0.00 H ATOM 424 HE3 MET A 50 -21.438 12.744 -8.540 1.00 0.00 H ATOM 425 H MET A 50 -26.582 9.792 -11.087 1.00 0.00 H ATOM 426 N LYS A 51 -24.914 7.544 -9.353 1.00 32.24 N ATOM 427 CA LYS A 51 -24.472 6.320 -8.685 1.00 30.44 C ATOM 428 C LYS A 51 -23.502 5.549 -9.564 1.00 29.19 C ATOM 429 O LYS A 51 -22.561 4.965 -9.050 1.00 24.48 O ATOM 430 CB LYS A 51 -25.654 5.411 -8.326 1.00 34.58 C ATOM 431 CG LYS A 51 -26.346 5.803 -7.033 1.00 38.07 C ATOM 432 CD LYS A 51 -26.845 4.525 -6.369 1.00 40.96 C ATOM 433 CE LYS A 51 -27.331 4.763 -4.958 1.00 44.95 C ATOM 434 NZ LYS A 51 -27.881 3.493 -4.393 1.00 46.67 N ATOM 435 HA LYS A 51 -23.973 6.623 -7.764 1.00 0.00 H ATOM 436 HB2 LYS A 51 -26.383 5.456 -9.135 1.00 0.00 H ATOM 437 HB3 LYS A 51 -25.287 4.390 -8.226 1.00 0.00 H ATOM 438 HG2 LYS A 51 -25.643 6.313 -6.375 1.00 0.00 H ATOM 439 HG3 LYS A 51 -27.186 6.463 -7.247 1.00 0.00 H ATOM 440 HD2 LYS A 51 -27.667 4.121 -6.960 1.00 0.00 H ATOM 441 HD3 LYS A 51 -26.029 3.802 -6.342 1.00 0.00 H ATOM 442 HE2 LYS A 51 -28.112 5.524 -4.967 1.00 0.00 H ATOM 443 HE3 LYS A 51 -26.500 5.104 -4.341 1.00 0.00 H ATOM 444 HZ1 LYS A 51 -28.675 3.168 -4.981 1.00 0.00 H ATOM 445 HZ2 LYS A 51 -27.136 2.768 -4.384 1.00 0.00 H ATOM 446 HZ3 LYS A 51 -28.214 3.662 -3.422 1.00 0.00 H ATOM 447 H LYS A 51 -25.917 7.682 -9.589 1.00 0.00 H ATOM 448 N GLU A 52 -23.757 5.509 -10.878 1.00 25.54 N ATOM 449 CA GLU A 52 -22.871 4.805 -11.789 1.00 24.70 C ATOM 450 C GLU A 52 -21.530 5.502 -11.776 1.00 22.47 C ATOM 451 O GLU A 52 -20.486 4.846 -11.791 1.00 23.56 O ATOM 452 CB GLU A 52 -23.411 4.808 -13.234 1.00 24.61 C ATOM 453 CG GLU A 52 -24.519 3.783 -13.506 1.00 29.36 C ATOM 454 CD GLU A 52 -24.948 3.879 -14.974 1.00 32.14 C ATOM 455 OE1 GLU A 52 -25.323 5.007 -15.353 1.00 32.38 O ATOM 456 OE2 GLU A 52 -24.863 2.853 -15.681 1.00 32.89 O ATOM 457 HA GLU A 52 -22.792 3.769 -11.460 1.00 0.00 H ATOM 458 HB2 GLU A 52 -23.807 5.801 -13.447 1.00 0.00 H ATOM 459 HB3 GLU A 52 -22.580 4.597 -13.908 1.00 0.00 H ATOM 460 HG2 GLU A 52 -24.146 2.780 -13.300 1.00 0.00 H ATOM 461 HG3 GLU A 52 -25.374 3.991 -12.862 1.00 0.00 H ATOM 462 H GLU A 52 -24.601 5.989 -11.251 1.00 0.00 H ATOM 463 N VAL A 53 -21.551 6.831 -11.839 1.00 21.31 N ATOM 464 CA VAL A 53 -20.302 7.552 -11.818 1.00 21.40 C ATOM 465 C VAL A 53 -19.514 7.189 -10.540 1.00 21.80 C ATOM 466 O VAL A 53 -18.326 6.894 -10.582 1.00 21.59 O ATOM 467 CB VAL A 53 -20.515 9.075 -11.903 1.00 22.27 C ATOM 468 CG1 VAL A 53 -19.199 9.786 -11.725 1.00 24.27 C ATOM 469 CG2 VAL A 53 -21.114 9.465 -13.290 1.00 24.74 C ATOM 470 HA VAL A 53 -19.729 7.257 -12.697 1.00 0.00 H ATOM 471 HB VAL A 53 -21.207 9.369 -11.114 1.00 0.00 H ATOM 472 HG11 VAL A 53 -18.780 9.534 -10.751 1.00 0.00 H ATOM 473 HG12 VAL A 53 -18.510 9.474 -12.510 1.00 0.00 H ATOM 474 HG13 VAL A 53 -19.358 10.863 -11.786 1.00 0.00 H ATOM 475 HG21 VAL A 53 -20.429 9.158 -14.080 1.00 0.00 H ATOM 476 HG22 VAL A 53 -22.073 8.964 -13.424 1.00 0.00 H ATOM 477 HG23 VAL A 53 -21.258 10.545 -13.332 1.00 0.00 H ATOM 478 H VAL A 53 -22.454 7.342 -11.902 1.00 0.00 H ATOM 479 N LEU A 54 -20.179 7.200 -9.395 1.00 22.75 N ATOM 480 CA LEU A 54 -19.489 6.871 -8.151 1.00 21.09 C ATOM 481 C LEU A 54 -19.022 5.431 -8.154 1.00 19.09 C ATOM 482 O LEU A 54 -17.974 5.117 -7.625 1.00 19.42 O ATOM 483 CB LEU A 54 -20.450 7.083 -6.979 1.00 22.96 C ATOM 484 CG LEU A 54 -20.738 8.562 -6.738 1.00 26.27 C ATOM 485 CD1 LEU A 54 -22.034 8.650 -5.966 1.00 25.99 C ATOM 486 CD2 LEU A 54 -19.604 9.239 -5.957 1.00 26.56 C ATOM 487 HA LEU A 54 -18.617 7.518 -8.054 1.00 0.00 H ATOM 488 HB2 LEU A 54 -21.388 6.572 -7.196 1.00 0.00 H ATOM 489 HB3 LEU A 54 -20.006 6.659 -6.078 1.00 0.00 H ATOM 490 HG LEU A 54 -20.816 9.082 -7.693 1.00 0.00 H ATOM 491 HD21 LEU A 54 -19.487 8.749 -4.990 1.00 0.00 H ATOM 492 HD22 LEU A 54 -18.676 9.157 -6.522 1.00 0.00 H ATOM 493 HD23 LEU A 54 -19.846 10.291 -5.806 1.00 0.00 H ATOM 494 HD11 LEU A 54 -22.834 8.195 -6.549 1.00 0.00 H ATOM 495 HD12 LEU A 54 -21.928 8.122 -5.018 1.00 0.00 H ATOM 496 HD13 LEU A 54 -22.272 9.697 -5.775 1.00 0.00 H ATOM 497 H LEU A 54 -21.190 7.442 -9.382 1.00 0.00 H ATOM 498 N PHE A 55 -19.798 4.554 -8.776 1.00 19.59 N ATOM 499 CA PHE A 55 -19.403 3.160 -8.798 1.00 21.18 C ATOM 500 C PHE A 55 -18.078 2.969 -9.536 1.00 21.52 C ATOM 501 O PHE A 55 -17.194 2.305 -9.016 1.00 22.10 O ATOM 502 CB PHE A 55 -20.491 2.254 -9.440 1.00 20.62 C ATOM 503 CG PHE A 55 -20.070 0.836 -9.570 1.00 22.74 C ATOM 504 CD1 PHE A 55 -20.071 -0.011 -8.467 1.00 21.43 C ATOM 505 CD2 PHE A 55 -19.600 0.344 -10.791 1.00 23.66 C ATOM 506 CE1 PHE A 55 -19.604 -1.330 -8.591 1.00 22.83 C ATOM 507 CE2 PHE A 55 -19.139 -0.959 -10.905 1.00 24.42 C ATOM 508 CZ PHE A 55 -19.152 -1.795 -9.784 1.00 25.01 C ATOM 509 HA PHE A 55 -19.278 2.860 -7.758 1.00 0.00 H ATOM 510 HB2 PHE A 55 -21.386 2.294 -8.819 1.00 0.00 H ATOM 511 HB3 PHE A 55 -20.721 2.640 -10.433 1.00 0.00 H ATOM 512 HD2 PHE A 55 -19.596 0.994 -11.666 1.00 0.00 H ATOM 513 HE2 PHE A 55 -18.769 -1.329 -11.861 1.00 0.00 H ATOM 514 HZ PHE A 55 -18.798 -2.823 -9.868 1.00 0.00 H ATOM 515 HE1 PHE A 55 -19.604 -1.987 -7.721 1.00 0.00 H ATOM 516 HD1 PHE A 55 -20.435 0.349 -7.505 1.00 0.00 H ATOM 517 H PHE A 55 -20.676 4.862 -9.241 1.00 0.00 H ATOM 518 N TYR A 56 -17.986 3.509 -10.747 1.00 22.27 N ATOM 519 CA TYR A 56 -16.802 3.405 -11.582 1.00 22.35 C ATOM 520 C TYR A 56 -15.608 4.208 -11.026 1.00 22.41 C ATOM 521 O TYR A 56 -14.451 3.811 -11.173 1.00 23.05 O ATOM 522 CB TYR A 56 -17.163 3.796 -13.032 1.00 24.38 C ATOM 523 CG TYR A 56 -17.975 2.684 -13.705 1.00 24.79 C ATOM 524 CD1 TYR A 56 -17.399 1.421 -13.920 1.00 26.73 C ATOM 525 CD2 TYR A 56 -19.310 2.856 -14.043 1.00 26.35 C ATOM 526 CE1 TYR A 56 -18.131 0.345 -14.455 1.00 27.75 C ATOM 527 CE2 TYR A 56 -20.060 1.778 -14.559 1.00 30.68 C ATOM 528 CZ TYR A 56 -19.451 0.525 -14.757 1.00 28.67 C ATOM 529 OH TYR A 56 -20.172 -0.569 -15.231 1.00 33.51 O ATOM 530 HA TYR A 56 -16.465 2.368 -11.578 1.00 0.00 H ATOM 531 HB3 TYR A 56 -16.246 3.962 -13.597 1.00 0.00 H ATOM 532 HB2 TYR A 56 -17.752 4.713 -13.020 1.00 0.00 H ATOM 533 HD2 TYR A 56 -19.782 3.829 -13.909 1.00 0.00 H ATOM 534 HE2 TYR A 56 -21.113 1.916 -14.805 1.00 0.00 H ATOM 535 HE1 TYR A 56 -17.651 -0.619 -14.626 1.00 0.00 H ATOM 536 HD1 TYR A 56 -16.350 1.269 -13.664 1.00 0.00 H ATOM 537 HH TYR A 56 -19.571 -1.353 -15.302 1.00 0.00 H ATOM 538 H TYR A 56 -18.805 4.034 -11.116 1.00 0.00 H ATOM 539 N LEU A 57 -15.862 5.330 -10.358 1.00 22.09 N ATOM 540 CA LEU A 57 -14.740 6.074 -9.757 1.00 21.88 C ATOM 541 C LEU A 57 -14.141 5.200 -8.642 1.00 22.82 C ATOM 542 O LEU A 57 -12.923 5.163 -8.441 1.00 22.80 O ATOM 543 CB LEU A 57 -15.258 7.417 -9.210 1.00 21.69 C ATOM 544 CG LEU A 57 -14.313 8.331 -8.417 1.00 22.94 C ATOM 545 CD1 LEU A 57 -13.050 8.716 -9.244 1.00 22.56 C ATOM 546 CD2 LEU A 57 -15.108 9.569 -8.036 1.00 22.01 C ATOM 547 HA LEU A 57 -13.966 6.293 -10.492 1.00 0.00 H ATOM 548 HB2 LEU A 57 -15.610 7.993 -10.066 1.00 0.00 H ATOM 549 HB3 LEU A 57 -16.100 7.189 -8.556 1.00 0.00 H ATOM 550 HG LEU A 57 -13.948 7.812 -7.531 1.00 0.00 H ATOM 551 HD21 LEU A 57 -15.458 10.067 -8.940 1.00 0.00 H ATOM 552 HD22 LEU A 57 -15.963 9.277 -7.427 1.00 0.00 H ATOM 553 HD23 LEU A 57 -14.471 10.248 -7.469 1.00 0.00 H ATOM 554 HD11 LEU A 57 -12.505 7.812 -9.515 1.00 0.00 H ATOM 555 HD12 LEU A 57 -13.356 9.242 -10.149 1.00 0.00 H ATOM 556 HD13 LEU A 57 -12.409 9.363 -8.645 1.00 0.00 H ATOM 557 H LEU A 57 -16.838 5.677 -10.261 1.00 0.00 H ATOM 558 N GLY A 58 -15.005 4.521 -7.891 1.00 20.57 N ATOM 559 CA GLY A 58 -14.514 3.640 -6.828 1.00 21.49 C ATOM 560 C GLY A 58 -13.709 2.504 -7.442 1.00 22.83 C ATOM 561 O GLY A 58 -12.656 2.135 -6.941 1.00 21.74 O ATOM 562 HA3 GLY A 58 -15.360 3.230 -6.276 1.00 0.00 H ATOM 563 HA2 GLY A 58 -13.880 4.209 -6.148 1.00 0.00 H ATOM 564 H GLY A 58 -16.027 4.616 -8.058 1.00 0.00 H ATOM 565 N GLN A 59 -14.192 1.976 -8.564 1.00 23.54 N ATOM 566 CA GLN A 59 -13.483 0.881 -9.210 1.00 26.16 C ATOM 567 C GLN A 59 -12.103 1.342 -9.649 1.00 23.97 C ATOM 568 O GLN A 59 -11.135 0.601 -9.514 1.00 26.93 O ATOM 569 CB GLN A 59 -14.271 0.373 -10.437 1.00 27.93 C ATOM 570 CG GLN A 59 -15.486 -0.506 -10.071 1.00 36.14 C ATOM 571 CD GLN A 59 -15.080 -1.628 -9.112 1.00 38.51 C ATOM 572 OE1 GLN A 59 -15.362 -1.574 -7.907 1.00 41.30 O ATOM 573 NE2 GLN A 59 -14.370 -2.627 -9.640 1.00 41.25 N ATOM 574 HA GLN A 59 -13.383 0.066 -8.493 1.00 0.00 H ATOM 575 HB2 GLN A 59 -14.627 1.236 -11.000 1.00 0.00 H ATOM 576 HB3 GLN A 59 -13.597 -0.213 -11.061 1.00 0.00 H ATOM 577 HG2 GLN A 59 -16.245 0.114 -9.594 1.00 0.00 H ATOM 578 HG3 GLN A 59 -15.896 -0.945 -10.981 1.00 0.00 H ATOM 579 HE22 GLN A 59 -14.156 -2.632 -10.658 1.00 0.00 H ATOM 580 HE21 GLN A 59 -14.030 -3.401 -9.034 1.00 0.00 H ATOM 581 H GLN A 59 -15.072 2.344 -8.978 1.00 0.00 H ATOM 582 N TYR A 60 -12.031 2.555 -10.197 1.00 23.98 N ATOM 583 CA TYR A 60 -10.765 3.131 -10.654 1.00 22.74 C ATOM 584 C TYR A 60 -9.770 3.298 -9.480 1.00 23.50 C ATOM 585 O TYR A 60 -8.636 2.850 -9.572 1.00 21.35 O ATOM 586 CB TYR A 60 -11.047 4.463 -11.338 1.00 22.30 C ATOM 587 CG TYR A 60 -9.820 5.201 -11.834 1.00 22.43 C ATOM 588 CD1 TYR A 60 -9.352 5.050 -13.131 1.00 24.67 C ATOM 589 CD2 TYR A 60 -9.148 6.078 -10.992 1.00 21.13 C ATOM 590 CE1 TYR A 60 -8.245 5.761 -13.577 1.00 25.90 C ATOM 591 CE2 TYR A 60 -8.035 6.807 -11.410 1.00 23.83 C ATOM 592 CZ TYR A 60 -7.588 6.633 -12.720 1.00 26.81 C ATOM 593 OH TYR A 60 -6.503 7.327 -13.147 1.00 26.20 O ATOM 594 HA TYR A 60 -10.297 2.454 -11.369 1.00 0.00 H ATOM 595 HB3 TYR A 60 -11.564 5.106 -10.626 1.00 0.00 H ATOM 596 HB2 TYR A 60 -11.696 4.274 -12.193 1.00 0.00 H ATOM 597 HD2 TYR A 60 -9.503 6.201 -9.969 1.00 0.00 H ATOM 598 HE2 TYR A 60 -7.528 7.494 -10.732 1.00 0.00 H ATOM 599 HE1 TYR A 60 -7.892 5.634 -14.600 1.00 0.00 H ATOM 600 HD1 TYR A 60 -9.860 4.364 -13.809 1.00 0.00 H ATOM 601 HH TYR A 60 -5.721 7.093 -12.586 1.00 0.00 H ATOM 602 H TYR A 60 -12.903 3.111 -10.303 1.00 0.00 H ATOM 603 N ILE A 61 -10.218 3.915 -8.374 1.00 22.26 N ATOM 604 CA ILE A 61 -9.368 4.106 -7.184 1.00 23.98 C ATOM 605 C ILE A 61 -8.896 2.760 -6.634 1.00 23.86 C ATOM 606 O ILE A 61 -7.746 2.598 -6.285 1.00 23.57 O ATOM 607 CB ILE A 61 -10.132 4.881 -6.041 1.00 22.51 C ATOM 608 CG1 ILE A 61 -10.286 6.348 -6.455 1.00 23.25 C ATOM 609 CG2 ILE A 61 -9.358 4.790 -4.683 1.00 24.85 C ATOM 610 CD1 ILE A 61 -11.392 7.099 -5.635 1.00 22.50 C ATOM 611 HA ILE A 61 -8.510 4.699 -7.500 1.00 0.00 H ATOM 612 HB ILE A 61 -11.112 4.425 -5.899 1.00 0.00 H ATOM 613 HG12 ILE A 61 -9.334 6.855 -6.301 1.00 0.00 H ATOM 614 HG13 ILE A 61 -10.550 6.386 -7.512 1.00 0.00 H ATOM 615 HD11 ILE A 61 -12.353 6.607 -5.788 1.00 0.00 H ATOM 616 HD12 ILE A 61 -11.135 7.077 -4.576 1.00 0.00 H ATOM 617 HD13 ILE A 61 -11.454 8.133 -5.974 1.00 0.00 H ATOM 618 HG21 ILE A 61 -9.261 3.744 -4.391 1.00 0.00 H ATOM 619 HG22 ILE A 61 -8.367 5.229 -4.801 1.00 0.00 H ATOM 620 HG23 ILE A 61 -9.909 5.333 -3.915 1.00 0.00 H ATOM 621 H ILE A 61 -11.196 4.269 -8.356 1.00 0.00 H ATOM 622 N MET A 62 -9.797 1.797 -6.557 1.00 24.55 N ATOM 623 CA MET A 62 -9.441 0.506 -6.046 1.00 25.82 C ATOM 624 C MET A 62 -8.458 -0.239 -6.936 1.00 25.93 C ATOM 625 O MET A 62 -7.415 -0.712 -6.453 1.00 25.24 O ATOM 626 CB MET A 62 -10.694 -0.323 -5.808 1.00 29.32 C ATOM 627 CG MET A 62 -10.420 -1.759 -5.513 1.00 34.62 C ATOM 628 SD MET A 62 -11.980 -2.624 -5.327 1.00 41.69 S ATOM 629 CE MET A 62 -12.253 -3.126 -7.097 1.00 39.88 C ATOM 630 HA MET A 62 -8.927 0.668 -5.098 1.00 0.00 H ATOM 631 HB2 MET A 62 -11.234 0.105 -4.963 1.00 0.00 H ATOM 632 HB3 MET A 62 -11.317 -0.268 -6.701 1.00 0.00 H ATOM 633 HG2 MET A 62 -9.845 -1.840 -4.591 1.00 0.00 H ATOM 634 HG3 MET A 62 -9.853 -2.199 -6.333 1.00 0.00 H ATOM 635 HE1 MET A 62 -12.305 -2.235 -7.722 1.00 0.00 H ATOM 636 HE2 MET A 62 -11.426 -3.755 -7.427 1.00 0.00 H ATOM 637 HE3 MET A 62 -13.188 -3.681 -7.176 1.00 0.00 H ATOM 638 H MET A 62 -10.772 1.977 -6.870 1.00 0.00 H ATOM 639 N THR A 63 -8.741 -0.294 -8.228 1.00 25.21 N ATOM 640 CA THR A 63 -7.863 -1.017 -9.135 1.00 27.40 C ATOM 641 C THR A 63 -6.477 -0.422 -9.265 1.00 27.16 C ATOM 642 O THR A 63 -5.493 -1.160 -9.437 1.00 28.31 O ATOM 643 CB THR A 63 -8.541 -1.232 -10.554 1.00 29.76 C ATOM 644 OG1 THR A 63 -8.746 0.017 -11.211 1.00 34.26 O ATOM 645 CG2 THR A 63 -9.895 -1.912 -10.390 1.00 32.06 C ATOM 646 HA THR A 63 -7.714 -1.993 -8.674 1.00 0.00 H ATOM 647 HB THR A 63 -7.874 -1.855 -11.150 1.00 0.00 H ATOM 648 HG1 THR A 63 -9.337 0.587 -10.657 1.00 0.00 H ATOM 649 HG23 THR A 63 -9.760 -2.871 -9.889 1.00 0.00 H ATOM 650 HG21 THR A 63 -10.549 -1.277 -9.793 1.00 0.00 H ATOM 651 HG22 THR A 63 -10.340 -2.073 -11.372 1.00 0.00 H ATOM 652 H THR A 63 -9.591 0.180 -8.595 1.00 0.00 H ATOM 653 N LYS A 64 -6.368 0.902 -9.156 1.00 24.75 N ATOM 654 CA LYS A 64 -5.062 1.564 -9.252 1.00 25.71 C ATOM 655 C LYS A 64 -4.415 1.728 -7.875 1.00 25.79 C ATOM 656 O LYS A 64 -3.337 2.315 -7.775 1.00 27.24 O ATOM 657 CB LYS A 64 -5.195 2.926 -9.945 1.00 24.67 C ATOM 658 CG LYS A 64 -5.636 2.817 -11.388 1.00 28.65 C ATOM 659 CD LYS A 64 -5.396 4.107 -12.169 1.00 33.05 C ATOM 660 CE LYS A 64 -3.916 4.346 -12.509 1.00 33.65 C ATOM 661 NZ LYS A 64 -3.841 5.526 -13.467 1.00 35.14 N ATOM 662 HA LYS A 64 -4.413 0.927 -9.853 1.00 0.00 H ATOM 663 HB2 LYS A 64 -5.929 3.522 -9.402 1.00 0.00 H ATOM 664 HB3 LYS A 64 -4.227 3.427 -9.915 1.00 0.00 H ATOM 665 HG2 LYS A 64 -5.079 2.010 -11.865 1.00 0.00 H ATOM 666 HG3 LYS A 64 -6.701 2.586 -11.412 1.00 0.00 H ATOM 667 HD2 LYS A 64 -5.962 4.059 -13.100 1.00 0.00 H ATOM 668 HD3 LYS A 64 -5.754 4.945 -11.571 1.00 0.00 H ATOM 669 HE2 LYS A 64 -3.496 3.458 -12.981 1.00 0.00 H ATOM 670 HE3 LYS A 64 -3.358 4.571 -11.600 1.00 0.00 H ATOM 671 HZ1 LYS A 64 -4.378 5.305 -14.330 1.00 0.00 H ATOM 672 HZ2 LYS A 64 -4.247 6.368 -13.011 1.00 0.00 H ATOM 673 HZ3 LYS A 64 -2.847 5.709 -13.713 1.00 0.00 H ATOM 674 H LYS A 64 -7.222 1.475 -9.000 1.00 0.00 H ATOM 675 N ARG A 65 -5.050 1.166 -6.839 1.00 24.34 N ATOM 676 CA ARG A 65 -4.563 1.212 -5.459 1.00 25.65 C ATOM 677 C ARG A 65 -4.172 2.629 -5.047 1.00 26.87 C ATOM 678 O ARG A 65 -3.085 2.842 -4.469 1.00 25.26 O ATOM 679 CB ARG A 65 -3.367 0.265 -5.293 1.00 28.13 C ATOM 680 CG ARG A 65 -3.718 -1.222 -5.559 1.00 26.50 C ATOM 681 CD ARG A 65 -2.438 -2.090 -5.452 1.00 28.46 C ATOM 682 NE ARG A 65 -1.840 -1.932 -4.129 1.00 27.94 N ATOM 683 CZ ARG A 65 -0.538 -1.899 -3.904 1.00 26.81 C ATOM 684 NH1 ARG A 65 0.306 -2.017 -4.910 1.00 29.74 N ATOM 685 NH2 ARG A 65 -0.098 -1.751 -2.664 1.00 33.38 N ATOM 686 HA ARG A 65 -5.375 0.889 -4.807 1.00 0.00 H ATOM 687 HB2 ARG A 65 -2.587 0.567 -5.992 1.00 0.00 H ATOM 688 HB3 ARG A 65 -2.993 0.355 -4.273 1.00 0.00 H ATOM 689 HG2 ARG A 65 -4.447 -1.559 -4.823 1.00 0.00 H ATOM 690 HG3 ARG A 65 -4.141 -1.321 -6.559 1.00 0.00 H ATOM 691 HD2 ARG A 65 -1.723 -1.775 -6.212 1.00 0.00 H ATOM 692 HD3 ARG A 65 -2.697 -3.137 -5.609 1.00 0.00 H ATOM 693 HE ARG A 65 -2.478 -1.840 -3.313 1.00 0.00 H ATOM 694 HH12 ARG A 65 1.331 -1.991 -4.735 1.00 0.00 H ATOM 695 HH11 ARG A 65 -0.053 -2.136 -5.879 1.00 0.00 H ATOM 696 HH22 ARG A 65 0.924 -1.724 -2.475 1.00 0.00 H ATOM 697 HH21 ARG A 65 -0.775 -1.662 -1.879 1.00 0.00 H ATOM 698 H ARG A 65 -5.943 0.667 -7.026 1.00 0.00 H ATOM 699 N LEU A 66 -5.042 3.611 -5.310 1.00 22.95 N ATOM 700 CA LEU A 66 -4.667 4.984 -4.938 1.00 22.74 C ATOM 701 C LEU A 66 -4.909 5.290 -3.458 1.00 24.19 C ATOM 702 O LEU A 66 -4.473 6.329 -2.968 1.00 22.78 O ATOM 703 CB LEU A 66 -5.429 6.005 -5.795 1.00 21.54 C ATOM 704 CG LEU A 66 -5.317 5.810 -7.320 1.00 20.98 C ATOM 705 CD1 LEU A 66 -6.112 6.892 -8.065 1.00 22.26 C ATOM 706 CD2 LEU A 66 -3.801 5.894 -7.685 1.00 25.19 C ATOM 707 HA LEU A 66 -3.596 5.065 -5.122 1.00 0.00 H ATOM 708 HB2 LEU A 66 -6.484 5.948 -5.526 1.00 0.00 H ATOM 709 HB3 LEU A 66 -5.047 6.997 -5.554 1.00 0.00 H ATOM 710 HG LEU A 66 -5.731 4.846 -7.615 1.00 0.00 H ATOM 711 HD21 LEU A 66 -3.412 6.869 -7.393 1.00 0.00 H ATOM 712 HD22 LEU A 66 -3.257 5.111 -7.156 1.00 0.00 H ATOM 713 HD23 LEU A 66 -3.679 5.760 -8.760 1.00 0.00 H ATOM 714 HD11 LEU A 66 -7.162 6.832 -7.778 1.00 0.00 H ATOM 715 HD12 LEU A 66 -5.718 7.874 -7.805 1.00 0.00 H ATOM 716 HD13 LEU A 66 -6.019 6.735 -9.140 1.00 0.00 H ATOM 717 H LEU A 66 -5.956 3.410 -5.764 1.00 0.00 H ATOM 718 N TYR A 67 -5.597 4.400 -2.750 1.00 23.28 N ATOM 719 CA TYR A 67 -5.873 4.632 -1.332 1.00 22.21 C ATOM 720 C TYR A 67 -4.682 4.244 -0.483 1.00 22.17 C ATOM 721 O TYR A 67 -3.840 3.439 -0.919 1.00 22.23 O ATOM 722 CB TYR A 67 -7.101 3.844 -0.878 1.00 22.53 C ATOM 723 CG TYR A 67 -6.975 2.352 -1.130 1.00 24.11 C ATOM 724 CD1 TYR A 67 -6.290 1.525 -0.273 1.00 25.88 C ATOM 725 CD2 TYR A 67 -7.527 1.800 -2.271 1.00 24.49 C ATOM 726 CE1 TYR A 67 -6.151 0.147 -0.555 1.00 28.01 C ATOM 727 CE2 TYR A 67 -7.396 0.440 -2.574 1.00 29.02 C ATOM 728 CZ TYR A 67 -6.710 -0.370 -1.713 1.00 29.52 C ATOM 729 OH TYR A 67 -6.598 -1.700 -2.056 1.00 31.25 O ATOM 730 HA TYR A 67 -6.070 5.697 -1.205 1.00 0.00 H ATOM 731 HB3 TYR A 67 -7.972 4.216 -1.418 1.00 0.00 H ATOM 732 HB2 TYR A 67 -7.242 4.005 0.191 1.00 0.00 H ATOM 733 HD2 TYR A 67 -8.081 2.443 -2.955 1.00 0.00 H ATOM 734 HE2 TYR A 67 -7.835 0.032 -3.484 1.00 0.00 H ATOM 735 HE1 TYR A 67 -5.609 -0.503 0.132 1.00 0.00 H ATOM 736 HD1 TYR A 67 -5.849 1.936 0.635 1.00 0.00 H ATOM 737 HH TYR A 67 -6.129 -1.777 -2.924 1.00 0.00 H ATOM 738 H TYR A 67 -5.942 3.532 -3.207 1.00 0.00 H ATOM 739 N ASP A 68 -4.604 4.856 0.699 1.00 22.87 N ATOM 740 CA ASP A 68 -3.525 4.590 1.657 1.00 23.71 C ATOM 741 C ASP A 68 -3.826 3.209 2.242 1.00 25.40 C ATOM 742 O ASP A 68 -4.981 2.895 2.489 1.00 24.76 O ATOM 743 CB ASP A 68 -3.533 5.607 2.812 1.00 22.48 C ATOM 744 CG ASP A 68 -2.316 5.446 3.724 1.00 24.71 C ATOM 745 OD1 ASP A 68 -1.229 5.943 3.376 1.00 29.62 O ATOM 746 OD2 ASP A 68 -2.439 4.802 4.761 1.00 29.28 O ATOM 747 HA ASP A 68 -2.556 4.653 1.161 1.00 0.00 H ATOM 748 HB2 ASP A 68 -3.530 6.614 2.395 1.00 0.00 H ATOM 749 HB3 ASP A 68 -4.438 5.462 3.403 1.00 0.00 H ATOM 750 H ASP A 68 -5.337 5.549 0.952 1.00 0.00 H ATOM 751 N GLU A 69 -2.802 2.377 2.418 1.00 26.48 N ATOM 752 CA GLU A 69 -3.038 1.015 2.932 1.00 29.92 C ATOM 753 C GLU A 69 -3.379 1.012 4.404 1.00 29.18 C ATOM 754 O GLU A 69 -4.096 0.144 4.866 1.00 30.50 O ATOM 755 CB GLU A 69 -1.828 0.092 2.699 1.00 30.28 C ATOM 756 CG GLU A 69 -1.469 -0.233 1.210 1.00 35.78 C ATOM 757 CD GLU A 69 -2.474 -1.141 0.477 1.00 36.20 C ATOM 758 OE1 GLU A 69 -3.266 -1.840 1.145 1.00 37.50 O ATOM 759 OE2 GLU A 69 -2.483 -1.173 -0.790 1.00 36.64 O ATOM 760 HA GLU A 69 -3.891 0.634 2.370 1.00 0.00 H ATOM 761 HB2 GLU A 69 -0.958 0.566 3.153 1.00 0.00 H ATOM 762 HB3 GLU A 69 -2.030 -0.852 3.204 1.00 0.00 H ATOM 763 HG2 GLU A 69 -1.405 0.709 0.665 1.00 0.00 H ATOM 764 HG3 GLU A 69 -0.497 -0.726 1.197 1.00 0.00 H ATOM 765 H GLU A 69 -1.835 2.687 2.193 1.00 0.00 H ATOM 766 N LYS A 70 -2.888 2.000 5.143 1.00 31.88 N ATOM 767 CA LYS A 70 -3.146 2.083 6.578 1.00 32.25 C ATOM 768 C LYS A 70 -4.460 2.773 6.979 1.00 31.61 C ATOM 769 O LYS A 70 -5.179 2.297 7.851 1.00 32.34 O ATOM 770 CB LYS A 70 -1.948 2.760 7.278 1.00 35.84 C ATOM 771 CG LYS A 70 -1.943 2.512 8.790 1.00 40.17 C ATOM 772 CD LYS A 70 -1.376 3.643 9.629 1.00 43.00 C ATOM 773 CE LYS A 70 -1.559 3.302 11.137 1.00 45.56 C ATOM 774 NZ LYS A 70 -0.899 2.019 11.550 1.00 46.11 N ATOM 775 HA LYS A 70 -3.268 1.052 6.911 1.00 0.00 H ATOM 776 HB2 LYS A 70 -1.025 2.365 6.854 1.00 0.00 H ATOM 777 HB3 LYS A 70 -1.998 3.834 7.099 1.00 0.00 H ATOM 778 HG2 LYS A 70 -2.972 2.340 9.107 1.00 0.00 H ATOM 779 HG3 LYS A 70 -1.350 1.618 8.983 1.00 0.00 H ATOM 780 HD2 LYS A 70 -0.316 3.765 9.408 1.00 0.00 H ATOM 781 HD3 LYS A 70 -1.903 4.569 9.398 1.00 0.00 H ATOM 782 HE2 LYS A 70 -2.626 3.223 11.345 1.00 0.00 H ATOM 783 HE3 LYS A 70 -1.134 4.114 11.728 1.00 0.00 H ATOM 784 HZ1 LYS A 70 -1.302 1.232 11.003 1.00 0.00 H ATOM 785 HZ2 LYS A 70 0.123 2.082 11.368 1.00 0.00 H ATOM 786 HZ3 LYS A 70 -1.062 1.857 12.564 1.00 0.00 H ATOM 787 H LYS A 70 -2.306 2.732 4.689 1.00 0.00 H ATOM 788 N GLN A 71 -4.768 3.913 6.359 1.00 31.70 N ATOM 789 CA GLN A 71 -6.007 4.675 6.619 1.00 28.33 C ATOM 790 C GLN A 71 -6.638 4.633 5.239 1.00 27.97 C ATOM 791 O GLN A 71 -6.434 5.542 4.415 1.00 24.07 O ATOM 792 CB GLN A 71 -5.641 6.100 7.024 1.00 30.58 C ATOM 793 CG GLN A 71 -5.007 6.100 8.396 1.00 35.06 C ATOM 794 CD GLN A 71 -6.018 5.629 9.417 1.00 38.02 C ATOM 795 OE1 GLN A 71 -6.932 6.368 9.771 1.00 40.80 O ATOM 796 NE2 GLN A 71 -5.892 4.378 9.861 1.00 43.45 N ATOM 797 HA GLN A 71 -6.650 4.296 7.414 1.00 0.00 H ATOM 798 HB2 GLN A 71 -4.937 6.512 6.301 1.00 0.00 H ATOM 799 HB3 GLN A 71 -6.542 6.713 7.042 1.00 0.00 H ATOM 800 HG2 GLN A 71 -4.147 5.430 8.400 1.00 0.00 H ATOM 801 HG3 GLN A 71 -4.681 7.109 8.646 1.00 0.00 H ATOM 802 HE22 GLN A 71 -5.101 3.787 9.534 1.00 0.00 H ATOM 803 HE21 GLN A 71 -6.585 3.993 10.535 1.00 0.00 H ATOM 804 H GLN A 71 -4.100 4.286 5.654 1.00 0.00 H ATOM 805 N GLN A 72 -7.400 3.569 4.980 1.00 26.94 N ATOM 806 CA GLN A 72 -7.919 3.381 3.630 1.00 26.16 C ATOM 807 C GLN A 72 -8.979 4.315 3.126 1.00 24.23 C ATOM 808 O GLN A 72 -9.471 4.094 2.002 1.00 24.03 O ATOM 809 CB GLN A 72 -8.325 1.908 3.375 1.00 25.61 C ATOM 810 CG GLN A 72 -7.204 0.950 3.700 1.00 27.15 C ATOM 811 CD GLN A 72 -7.342 -0.425 3.046 1.00 30.22 C ATOM 812 OE1 GLN A 72 -8.381 -0.767 2.459 1.00 27.00 O ATOM 813 NE2 GLN A 72 -6.271 -1.231 3.155 1.00 30.45 N ATOM 814 HA GLN A 72 -7.054 3.662 3.030 1.00 0.00 H ATOM 815 HB2 GLN A 72 -9.187 1.667 3.998 1.00 0.00 H ATOM 816 HB3 GLN A 72 -8.594 1.793 2.325 1.00 0.00 H ATOM 817 HG2 GLN A 72 -6.267 1.395 3.366 1.00 0.00 H ATOM 818 HG3 GLN A 72 -7.174 0.813 4.781 1.00 0.00 H ATOM 819 HE22 GLN A 72 -5.421 -0.902 3.656 1.00 0.00 H ATOM 820 HE21 GLN A 72 -6.292 -2.184 2.738 1.00 0.00 H ATOM 821 H GLN A 72 -7.621 2.883 5.730 1.00 0.00 H ATOM 822 N HIS A 73 -9.335 5.347 3.907 1.00 23.57 N ATOM 823 CA HIS A 73 -10.244 6.394 3.388 1.00 23.41 C ATOM 824 C HIS A 73 -9.428 7.504 2.747 1.00 23.78 C ATOM 825 O HIS A 73 -9.989 8.405 2.091 1.00 23.05 O ATOM 826 CB HIS A 73 -11.080 7.036 4.501 1.00 26.11 C ATOM 827 CG HIS A 73 -10.262 7.617 5.600 1.00 27.20 C ATOM 828 ND1 HIS A 73 -9.995 8.968 5.713 1.00 30.08 N ATOM 829 CD2 HIS A 73 -9.634 7.020 6.641 1.00 28.50 C ATOM 830 CE1 HIS A 73 -9.241 9.171 6.784 1.00 30.52 C ATOM 831 NE2 HIS A 73 -9.007 8.002 7.361 1.00 30.71 N ATOM 832 HA HIS A 73 -10.907 5.910 2.671 1.00 0.00 H ATOM 833 HB2 HIS A 73 -11.685 7.831 4.064 1.00 0.00 H ATOM 834 HB3 HIS A 73 -11.735 6.274 4.924 1.00 0.00 H ATOM 835 HD2 HIS A 73 -9.629 5.953 6.865 1.00 0.00 H ATOM 836 HE1 HIS A 73 -8.875 10.137 7.131 1.00 0.00 H ATOM 837 H HIS A 73 -8.971 5.411 4.879 1.00 0.00 H ATOM 838 N ILE A 74 -8.112 7.503 2.965 1.00 21.42 N ATOM 839 CA ILE A 74 -7.258 8.527 2.338 1.00 21.02 C ATOM 840 C ILE A 74 -6.924 8.082 0.919 1.00 23.15 C ATOM 841 O ILE A 74 -6.514 6.927 0.717 1.00 23.38 O ATOM 842 CB ILE A 74 -5.911 8.732 3.139 1.00 23.89 C ATOM 843 CG1 ILE A 74 -6.218 9.211 4.574 1.00 24.33 C ATOM 844 CG2 ILE A 74 -5.010 9.795 2.435 1.00 23.43 C ATOM 845 CD1 ILE A 74 -6.921 10.574 4.620 1.00 28.21 C ATOM 846 HA ILE A 74 -7.800 9.472 2.337 1.00 0.00 H ATOM 847 HB ILE A 74 -5.386 7.777 3.170 1.00 0.00 H ATOM 848 HG12 ILE A 74 -6.860 8.473 5.056 1.00 0.00 H ATOM 849 HG13 ILE A 74 -5.279 9.287 5.122 1.00 0.00 H ATOM 850 HD11 ILE A 74 -6.286 11.325 4.151 1.00 0.00 H ATOM 851 HD12 ILE A 74 -7.868 10.511 4.084 1.00 0.00 H ATOM 852 HD13 ILE A 74 -7.107 10.851 5.658 1.00 0.00 H ATOM 853 HG21 ILE A 74 -4.774 9.458 1.426 1.00 0.00 H ATOM 854 HG22 ILE A 74 -5.541 10.745 2.387 1.00 0.00 H ATOM 855 HG23 ILE A 74 -4.088 9.921 3.002 1.00 0.00 H ATOM 856 H ILE A 74 -7.688 6.778 3.579 1.00 0.00 H ATOM 857 N VAL A 75 -7.112 8.977 -0.051 1.00 19.69 N ATOM 858 CA VAL A 75 -6.826 8.685 -1.442 1.00 21.05 C ATOM 859 C VAL A 75 -5.788 9.695 -2.006 1.00 22.43 C ATOM 860 O VAL A 75 -5.996 10.957 -1.977 1.00 22.30 O ATOM 861 CB VAL A 75 -8.120 8.737 -2.302 1.00 21.59 C ATOM 862 CG1 VAL A 75 -7.751 8.528 -3.791 1.00 22.04 C ATOM 863 CG2 VAL A 75 -9.115 7.663 -1.818 1.00 18.22 C ATOM 864 HA VAL A 75 -6.414 7.677 -1.491 1.00 0.00 H ATOM 865 HB VAL A 75 -8.599 9.710 -2.195 1.00 0.00 H ATOM 866 HG11 VAL A 75 -7.068 9.316 -4.109 1.00 0.00 H ATOM 867 HG12 VAL A 75 -7.270 7.558 -3.912 1.00 0.00 H ATOM 868 HG13 VAL A 75 -8.656 8.564 -4.397 1.00 0.00 H ATOM 869 HG21 VAL A 75 -8.659 6.678 -1.913 1.00 0.00 H ATOM 870 HG22 VAL A 75 -9.368 7.848 -0.774 1.00 0.00 H ATOM 871 HG23 VAL A 75 -10.019 7.706 -2.426 1.00 0.00 H ATOM 872 H VAL A 75 -7.477 9.918 0.199 1.00 0.00 H ATOM 873 N TYR A 76 -4.673 9.163 -2.521 1.00 22.55 N ATOM 874 CA TYR A 76 -3.584 10.010 -3.068 1.00 23.27 C ATOM 875 C TYR A 76 -3.802 10.099 -4.571 1.00 27.20 C ATOM 876 O TYR A 76 -3.834 9.068 -5.259 1.00 26.94 O ATOM 877 CB TYR A 76 -2.247 9.341 -2.873 1.00 22.70 C ATOM 878 CG TYR A 76 -1.933 9.079 -1.457 1.00 22.52 C ATOM 879 CD1 TYR A 76 -1.700 10.123 -0.592 1.00 24.76 C ATOM 880 CD2 TYR A 76 -1.913 7.784 -0.964 1.00 24.43 C ATOM 881 CE1 TYR A 76 -1.451 9.891 0.757 1.00 25.46 C ATOM 882 CE2 TYR A 76 -1.664 7.528 0.376 1.00 25.34 C ATOM 883 CZ TYR A 76 -1.428 8.598 1.232 1.00 26.47 C ATOM 884 OH TYR A 76 -1.168 8.381 2.553 1.00 26.79 O ATOM 885 HA TYR A 76 -3.594 10.980 -2.571 1.00 0.00 H ATOM 886 HB3 TYR A 76 -1.472 9.986 -3.287 1.00 0.00 H ATOM 887 HB2 TYR A 76 -2.252 8.392 -3.409 1.00 0.00 H ATOM 888 HD2 TYR A 76 -2.096 6.951 -1.642 1.00 0.00 H ATOM 889 HE2 TYR A 76 -1.653 6.505 0.752 1.00 0.00 H ATOM 890 HE1 TYR A 76 -1.275 10.727 1.434 1.00 0.00 H ATOM 891 HD1 TYR A 76 -1.711 11.146 -0.969 1.00 0.00 H ATOM 892 HH TYR A 76 -1.936 7.913 2.967 1.00 0.00 H ATOM 893 H TYR A 76 -4.567 8.129 -2.538 1.00 0.00 H ATOM 894 N CYS A 77 -3.913 11.305 -5.090 1.00 24.96 N ATOM 895 CA CYS A 77 -4.126 11.393 -6.503 1.00 27.76 C ATOM 896 C CYS A 77 -3.188 12.329 -7.228 1.00 28.39 C ATOM 897 O CYS A 77 -3.379 12.580 -8.406 1.00 27.63 O ATOM 898 CB CYS A 77 -5.593 11.741 -6.789 1.00 29.16 C ATOM 899 SG CYS A 77 -6.381 12.993 -5.700 1.00 32.36 S ATOM 900 HA CYS A 77 -3.892 10.407 -6.906 1.00 0.00 H ATOM 901 HB2 CYS A 77 -6.172 10.821 -6.705 1.00 0.00 H ATOM 902 HB3 CYS A 77 -5.650 12.113 -7.812 1.00 0.00 H ATOM 903 HG CYS A 77 -5.691 14.184 -5.797 1.00 0.00 H ATOM 904 H CYS A 77 -3.849 12.158 -4.498 1.00 0.00 H ATOM 905 N SER A 78 -2.150 12.798 -6.533 1.00 29.62 N ATOM 906 CA SER A 78 -1.199 13.763 -7.089 1.00 33.24 C ATOM 907 C SER A 78 -0.616 13.444 -8.464 1.00 35.89 C ATOM 908 O SER A 78 -0.649 14.303 -9.365 1.00 40.68 O ATOM 909 CB SER A 78 -0.042 14.000 -6.101 1.00 32.38 C ATOM 910 OG SER A 78 0.767 12.848 -6.028 1.00 33.11 O ATOM 911 HA SER A 78 -1.805 14.657 -7.240 1.00 0.00 H ATOM 912 HB2 SER A 78 -0.448 14.221 -5.114 1.00 0.00 H ATOM 913 HB3 SER A 78 0.559 14.843 -6.442 1.00 0.00 H ATOM 914 HG SER A 78 1.509 13.007 -5.392 1.00 0.00 H ATOM 915 H SER A 78 -2.011 12.465 -5.558 1.00 0.00 H ATOM 916 N ASN A 79 -0.097 12.243 -8.657 1.00 36.10 N ATOM 917 CA ASN A 79 0.523 11.923 -9.965 1.00 38.23 C ATOM 918 C ASN A 79 -0.415 11.021 -10.810 1.00 37.37 C ATOM 919 O ASN A 79 0.020 10.051 -11.441 1.00 37.45 O ATOM 920 CB ASN A 79 1.870 11.231 -9.680 1.00 42.52 C ATOM 921 CG ASN A 79 2.515 10.623 -10.918 1.00 47.91 C ATOM 922 OD1 ASN A 79 3.088 9.508 -10.858 1.00 52.27 O ATOM 923 ND2 ASN A 79 2.443 11.341 -12.049 1.00 49.37 N ATOM 924 HA ASN A 79 0.688 12.830 -10.547 1.00 0.00 H ATOM 925 HB2 ASN A 79 2.555 11.968 -9.261 1.00 0.00 H ATOM 926 HB3 ASN A 79 1.703 10.437 -8.952 1.00 0.00 H ATOM 927 HD22 ASN A 79 1.957 12.261 -12.051 1.00 0.00 H ATOM 928 HD21 ASN A 79 2.873 10.978 -12.924 1.00 0.00 H ATOM 929 H ASN A 79 -0.124 11.531 -7.900 1.00 0.00 H ATOM 930 N ASP A 80 -1.695 11.372 -10.857 1.00 34.37 N ATOM 931 CA ASP A 80 -2.674 10.543 -11.564 1.00 33.24 C ATOM 932 C ASP A 80 -3.714 11.441 -12.182 1.00 31.48 C ATOM 933 O ASP A 80 -3.929 12.536 -11.719 1.00 29.73 O ATOM 934 CB ASP A 80 -3.356 9.596 -10.543 1.00 33.12 C ATOM 935 CG ASP A 80 -4.334 8.619 -11.187 1.00 31.05 C ATOM 936 OD1 ASP A 80 -3.942 7.458 -11.351 1.00 32.91 O ATOM 937 OD2 ASP A 80 -5.471 9.004 -11.544 1.00 28.84 O ATOM 938 HA ASP A 80 -2.183 9.957 -12.341 1.00 0.00 H ATOM 939 HB2 ASP A 80 -2.582 9.024 -10.030 1.00 0.00 H ATOM 940 HB3 ASP A 80 -3.899 10.202 -9.818 1.00 0.00 H ATOM 941 H ASP A 80 -2.006 12.246 -10.386 1.00 0.00 H ATOM 942 N LEU A 81 -4.361 10.965 -13.234 1.00 30.70 N ATOM 943 CA LEU A 81 -5.396 11.714 -13.886 1.00 31.32 C ATOM 944 C LEU A 81 -6.443 12.193 -12.867 1.00 30.40 C ATOM 945 O LEU A 81 -6.997 13.284 -12.990 1.00 29.91 O ATOM 946 CB LEU A 81 -6.001 10.816 -14.975 1.00 33.66 C ATOM 947 CG LEU A 81 -7.406 11.018 -15.490 1.00 35.24 C ATOM 948 CD1 LEU A 81 -7.477 10.344 -16.837 1.00 37.57 C ATOM 949 CD2 LEU A 81 -8.420 10.399 -14.531 1.00 35.44 C ATOM 950 HA LEU A 81 -4.995 12.616 -14.349 1.00 0.00 H ATOM 951 HB2 LEU A 81 -5.344 10.900 -15.840 1.00 0.00 H ATOM 952 HB3 LEU A 81 -5.961 9.798 -14.588 1.00 0.00 H ATOM 953 HG LEU A 81 -7.642 12.079 -15.572 1.00 0.00 H ATOM 954 HD21 LEU A 81 -8.226 9.330 -14.439 1.00 0.00 H ATOM 955 HD22 LEU A 81 -8.329 10.872 -13.553 1.00 0.00 H ATOM 956 HD23 LEU A 81 -9.427 10.554 -14.919 1.00 0.00 H ATOM 957 HD11 LEU A 81 -6.749 10.799 -17.508 1.00 0.00 H ATOM 958 HD12 LEU A 81 -7.255 9.283 -16.723 1.00 0.00 H ATOM 959 HD13 LEU A 81 -8.479 10.464 -17.250 1.00 0.00 H ATOM 960 H LEU A 81 -4.112 10.023 -13.598 1.00 0.00 H ATOM 961 N LEU A 82 -6.672 11.399 -11.819 1.00 29.44 N ATOM 962 CA LEU A 82 -7.633 11.803 -10.796 1.00 27.42 C ATOM 963 C LEU A 82 -7.249 13.135 -10.157 1.00 28.65 C ATOM 964 O LEU A 82 -8.101 13.914 -9.762 1.00 27.68 O ATOM 965 CB LEU A 82 -7.719 10.709 -9.726 1.00 28.06 C ATOM 966 CG LEU A 82 -8.837 10.903 -8.697 1.00 25.87 C ATOM 967 CD1 LEU A 82 -10.154 11.193 -9.387 1.00 25.69 C ATOM 968 CD2 LEU A 82 -8.940 9.636 -7.863 1.00 25.66 C ATOM 969 HA LEU A 82 -8.605 11.937 -11.270 1.00 0.00 H ATOM 970 HB2 LEU A 82 -7.882 9.755 -10.228 1.00 0.00 H ATOM 971 HB3 LEU A 82 -6.769 10.680 -9.193 1.00 0.00 H ATOM 972 HG LEU A 82 -8.607 11.754 -8.056 1.00 0.00 H ATOM 973 HD21 LEU A 82 -9.171 8.792 -8.513 1.00 0.00 H ATOM 974 HD22 LEU A 82 -7.991 9.457 -7.357 1.00 0.00 H ATOM 975 HD23 LEU A 82 -9.732 9.753 -7.123 1.00 0.00 H ATOM 976 HD11 LEU A 82 -10.059 12.102 -9.981 1.00 0.00 H ATOM 977 HD12 LEU A 82 -10.414 10.358 -10.037 1.00 0.00 H ATOM 978 HD13 LEU A 82 -10.934 11.327 -8.637 1.00 0.00 H ATOM 979 H LEU A 82 -6.167 10.494 -11.731 1.00 0.00 H ATOM 980 N GLY A 83 -5.947 13.399 -10.073 1.00 28.80 N ATOM 981 CA GLY A 83 -5.465 14.626 -9.446 1.00 32.29 C ATOM 982 C GLY A 83 -5.860 15.839 -10.265 1.00 33.58 C ATOM 983 O GLY A 83 -6.139 16.912 -9.722 1.00 32.82 O ATOM 984 HA3 GLY A 83 -4.379 14.585 -9.368 1.00 0.00 H ATOM 985 HA2 GLY A 83 -5.897 14.712 -8.449 1.00 0.00 H ATOM 986 H GLY A 83 -5.262 12.720 -10.461 1.00 0.00 H ATOM 987 N ASP A 84 -5.839 15.662 -11.580 1.00 35.27 N ATOM 988 CA ASP A 84 -6.260 16.729 -12.493 1.00 39.72 C ATOM 989 C ASP A 84 -7.749 17.025 -12.388 1.00 39.67 C ATOM 990 O ASP A 84 -8.167 18.177 -12.545 1.00 40.99 O ATOM 991 CB ASP A 84 -5.906 16.360 -13.930 1.00 43.36 C ATOM 992 CG ASP A 84 -4.448 16.590 -14.230 1.00 46.96 C ATOM 993 OD1 ASP A 84 -4.080 17.751 -14.507 1.00 48.99 O ATOM 994 OD2 ASP A 84 -3.666 15.619 -14.164 1.00 51.15 O ATOM 995 HA ASP A 84 -5.725 17.633 -12.201 1.00 0.00 H ATOM 996 HB2 ASP A 84 -6.136 15.307 -14.090 1.00 0.00 H ATOM 997 HB3 ASP A 84 -6.505 16.969 -14.607 1.00 0.00 H ATOM 998 H ASP A 84 -5.519 14.752 -11.969 1.00 0.00 H ATOM 999 N LEU A 85 -8.548 15.995 -12.121 1.00 38.98 N ATOM 1000 CA LEU A 85 -10.000 16.149 -11.994 1.00 38.95 C ATOM 1001 C LEU A 85 -10.394 16.867 -10.713 1.00 39.18 C ATOM 1002 O LEU A 85 -11.196 17.811 -10.717 1.00 40.25 O ATOM 1003 CB LEU A 85 -10.673 14.774 -11.996 1.00 39.04 C ATOM 1004 CG LEU A 85 -10.807 14.035 -13.314 1.00 40.26 C ATOM 1005 CD1 LEU A 85 -11.174 12.578 -13.077 1.00 39.70 C ATOM 1006 CD2 LEU A 85 -11.915 14.697 -14.135 1.00 40.94 C ATOM 1007 HA LEU A 85 -10.329 16.747 -12.844 1.00 0.00 H ATOM 1008 HB2 LEU A 85 -10.100 14.134 -11.325 1.00 0.00 H ATOM 1009 HB3 LEU A 85 -11.679 14.907 -11.598 1.00 0.00 H ATOM 1010 HG LEU A 85 -9.855 14.076 -13.843 1.00 0.00 H ATOM 1011 HD21 LEU A 85 -12.854 14.646 -13.584 1.00 0.00 H ATOM 1012 HD22 LEU A 85 -11.656 15.740 -14.318 1.00 0.00 H ATOM 1013 HD23 LEU A 85 -12.022 14.175 -15.086 1.00 0.00 H ATOM 1014 HD11 LEU A 85 -10.396 12.101 -12.482 1.00 0.00 H ATOM 1015 HD12 LEU A 85 -12.124 12.526 -12.544 1.00 0.00 H ATOM 1016 HD13 LEU A 85 -11.265 12.067 -14.035 1.00 0.00 H ATOM 1017 H LEU A 85 -8.129 15.051 -11.999 1.00 0.00 H ATOM 1018 N PHE A 86 -9.850 16.395 -9.606 1.00 36.93 N ATOM 1019 CA PHE A 86 -10.159 16.962 -8.320 1.00 38.27 C ATOM 1020 C PHE A 86 -9.452 18.272 -8.157 1.00 39.69 C ATOM 1021 O PHE A 86 -9.878 19.101 -7.365 1.00 40.74 O ATOM 1022 CB PHE A 86 -9.681 16.064 -7.175 1.00 38.48 C ATOM 1023 CG PHE A 86 -10.751 15.165 -6.616 1.00 38.07 C ATOM 1024 CD1 PHE A 86 -10.982 13.903 -7.192 1.00 38.33 C ATOM 1025 CD2 PHE A 86 -11.527 15.580 -5.507 1.00 39.22 C ATOM 1026 CE1 PHE A 86 -11.949 13.055 -6.693 1.00 35.52 C ATOM 1027 CE2 PHE A 86 -12.509 14.743 -4.983 1.00 36.65 C ATOM 1028 CZ PHE A 86 -12.723 13.471 -5.574 1.00 40.11 C ATOM 1029 HA PHE A 86 -11.242 17.076 -8.280 1.00 0.00 H ATOM 1030 HB2 PHE A 86 -8.867 15.440 -7.545 1.00 0.00 H ATOM 1031 HB3 PHE A 86 -9.313 16.700 -6.370 1.00 0.00 H ATOM 1032 HD2 PHE A 86 -11.355 16.560 -5.061 1.00 0.00 H ATOM 1033 HE2 PHE A 86 -13.106 15.061 -4.129 1.00 0.00 H ATOM 1034 HZ PHE A 86 -13.486 12.807 -5.168 1.00 0.00 H ATOM 1035 HE1 PHE A 86 -12.118 12.080 -7.150 1.00 0.00 H ATOM 1036 HD1 PHE A 86 -10.386 13.589 -8.049 1.00 0.00 H ATOM 1037 H PHE A 86 -9.185 15.598 -9.665 1.00 0.00 H ATOM 1038 N GLY A 87 -8.352 18.443 -8.887 1.00 39.30 N ATOM 1039 CA GLY A 87 -7.549 19.644 -8.735 1.00 38.93 C ATOM 1040 C GLY A 87 -6.888 19.693 -7.356 1.00 38.94 C ATOM 1041 O GLY A 87 -6.499 20.767 -6.906 1.00 41.01 O ATOM 1042 HA3 GLY A 87 -8.189 20.518 -8.855 1.00 0.00 H ATOM 1043 HA2 GLY A 87 -6.775 19.654 -9.502 1.00 0.00 H ATOM 1044 H GLY A 87 -8.066 17.713 -9.570 1.00 0.00 H ATOM 1045 N VAL A 88 -6.780 18.549 -6.669 1.00 38.53 N ATOM 1046 CA VAL A 88 -6.167 18.461 -5.330 1.00 37.54 C ATOM 1047 C VAL A 88 -5.202 17.270 -5.302 1.00 35.13 C ATOM 1048 O VAL A 88 -5.295 16.376 -6.135 1.00 36.11 O ATOM 1049 CB VAL A 88 -7.232 18.199 -4.201 1.00 39.23 C ATOM 1050 CG1 VAL A 88 -8.348 19.191 -4.320 1.00 42.34 C ATOM 1051 CG2 VAL A 88 -7.805 16.792 -4.335 1.00 42.28 C ATOM 1052 HA VAL A 88 -5.669 19.413 -5.145 1.00 0.00 H ATOM 1053 HB VAL A 88 -6.745 18.302 -3.231 1.00 0.00 H ATOM 1054 HG11 VAL A 88 -7.949 20.200 -4.214 1.00 0.00 H ATOM 1055 HG12 VAL A 88 -8.822 19.087 -5.296 1.00 0.00 H ATOM 1056 HG13 VAL A 88 -9.083 19.005 -3.536 1.00 0.00 H ATOM 1057 HG21 VAL A 88 -8.283 16.687 -5.309 1.00 0.00 H ATOM 1058 HG22 VAL A 88 -7.000 16.063 -4.243 1.00 0.00 H ATOM 1059 HG23 VAL A 88 -8.540 16.624 -3.548 1.00 0.00 H ATOM 1060 H VAL A 88 -7.147 17.677 -7.102 1.00 0.00 H ATOM 1061 N PRO A 89 -4.288 17.228 -4.321 1.00 33.42 N ATOM 1062 CA PRO A 89 -3.341 16.106 -4.260 1.00 31.75 C ATOM 1063 C PRO A 89 -3.857 14.828 -3.579 1.00 29.24 C ATOM 1064 O PRO A 89 -3.338 13.752 -3.812 1.00 28.38 O ATOM 1065 CB PRO A 89 -2.149 16.718 -3.528 1.00 31.51 C ATOM 1066 CG PRO A 89 -2.845 17.681 -2.550 1.00 35.10 C ATOM 1067 CD PRO A 89 -3.870 18.329 -3.426 1.00 32.88 C ATOM 1068 HA PRO A 89 -3.115 15.729 -5.257 1.00 0.00 H ATOM 1069 HD3 PRO A 89 -4.711 18.697 -2.839 1.00 0.00 H ATOM 1070 HD2 PRO A 89 -3.436 19.152 -3.994 1.00 0.00 H ATOM 1071 HG3 PRO A 89 -2.145 18.414 -2.150 1.00 0.00 H ATOM 1072 HG2 PRO A 89 -3.312 17.140 -1.727 1.00 0.00 H ATOM 1073 HB2 PRO A 89 -1.575 15.958 -2.997 1.00 0.00 H ATOM 1074 HB3 PRO A 89 -1.493 17.253 -4.214 1.00 0.00 H ATOM 1075 N SER A 90 -4.882 14.959 -2.753 1.00 27.40 N ATOM 1076 CA SER A 90 -5.435 13.831 -2.031 1.00 28.32 C ATOM 1077 C SER A 90 -6.756 14.293 -1.419 1.00 28.92 C ATOM 1078 O SER A 90 -7.033 15.506 -1.348 1.00 29.59 O ATOM 1079 CB SER A 90 -4.464 13.414 -0.908 1.00 30.95 C ATOM 1080 OG SER A 90 -4.260 14.495 -0.003 1.00 31.44 O ATOM 1081 HA SER A 90 -5.589 12.979 -2.694 1.00 0.00 H ATOM 1082 HB2 SER A 90 -3.508 13.127 -1.347 1.00 0.00 H ATOM 1083 HB3 SER A 90 -4.883 12.566 -0.367 1.00 0.00 H ATOM 1084 HG SER A 90 -3.635 14.213 0.711 1.00 0.00 H ATOM 1085 H SER A 90 -5.304 15.900 -2.618 1.00 0.00 H ATOM 1086 N PHE A 91 -7.564 13.340 -0.976 1.00 26.22 N ATOM 1087 CA PHE A 91 -8.849 13.646 -0.350 1.00 23.71 C ATOM 1088 C PHE A 91 -9.228 12.414 0.449 1.00 25.10 C ATOM 1089 O PHE A 91 -8.543 11.373 0.357 1.00 24.76 O ATOM 1090 CB PHE A 91 -9.927 13.970 -1.407 1.00 23.98 C ATOM 1091 CG PHE A 91 -10.253 12.827 -2.335 1.00 23.19 C ATOM 1092 CD1 PHE A 91 -11.327 11.959 -2.084 1.00 23.78 C ATOM 1093 CD2 PHE A 91 -9.459 12.605 -3.473 1.00 25.86 C ATOM 1094 CE1 PHE A 91 -11.612 10.881 -2.955 1.00 25.48 C ATOM 1095 CE2 PHE A 91 -9.739 11.532 -4.345 1.00 27.47 C ATOM 1096 CZ PHE A 91 -10.817 10.674 -4.083 1.00 24.39 C ATOM 1097 HA PHE A 91 -8.774 14.528 0.286 1.00 0.00 H ATOM 1098 HB2 PHE A 91 -10.840 14.258 -0.886 1.00 0.00 H ATOM 1099 HB3 PHE A 91 -9.574 14.808 -2.008 1.00 0.00 H ATOM 1100 HD2 PHE A 91 -8.620 13.268 -3.684 1.00 0.00 H ATOM 1101 HE2 PHE A 91 -9.116 11.369 -5.225 1.00 0.00 H ATOM 1102 HZ PHE A 91 -11.033 9.847 -4.759 1.00 0.00 H ATOM 1103 HE1 PHE A 91 -12.449 10.215 -2.746 1.00 0.00 H ATOM 1104 HD1 PHE A 91 -11.951 12.118 -1.205 1.00 0.00 H ATOM 1105 H PHE A 91 -7.275 12.346 -1.077 1.00 0.00 H ATOM 1106 N SER A 92 -10.271 12.547 1.271 1.00 22.69 N ATOM 1107 CA SER A 92 -10.765 11.459 2.093 1.00 21.89 C ATOM 1108 C SER A 92 -12.098 11.012 1.536 1.00 20.50 C ATOM 1109 O SER A 92 -12.936 11.851 1.129 1.00 22.57 O ATOM 1110 CB SER A 92 -10.947 11.906 3.555 1.00 20.77 C ATOM 1111 OG SER A 92 -11.782 10.955 4.167 1.00 22.93 O ATOM 1112 HA SER A 92 -10.043 10.643 2.077 1.00 0.00 H ATOM 1113 HB2 SER A 92 -11.410 12.892 3.592 1.00 0.00 H ATOM 1114 HB3 SER A 92 -9.982 11.940 4.061 1.00 0.00 H ATOM 1115 HG SER A 92 -11.926 11.205 5.114 1.00 0.00 H ATOM 1116 H SER A 92 -10.749 13.469 1.324 1.00 0.00 H ATOM 1117 N VAL A 93 -12.299 9.697 1.492 1.00 21.02 N ATOM 1118 CA VAL A 93 -13.525 9.118 0.969 1.00 21.16 C ATOM 1119 C VAL A 93 -14.718 9.615 1.792 1.00 22.47 C ATOM 1120 O VAL A 93 -15.876 9.680 1.313 1.00 21.79 O ATOM 1121 CB VAL A 93 -13.436 7.569 1.007 1.00 18.17 C ATOM 1122 CG1 VAL A 93 -14.823 6.933 0.607 1.00 23.89 C ATOM 1123 CG2 VAL A 93 -12.365 7.084 0.010 1.00 19.75 C ATOM 1124 HA VAL A 93 -13.663 9.427 -0.067 1.00 0.00 H ATOM 1125 HB VAL A 93 -13.171 7.262 2.019 1.00 0.00 H ATOM 1126 HG11 VAL A 93 -15.589 7.264 1.308 1.00 0.00 H ATOM 1127 HG12 VAL A 93 -15.090 7.251 -0.401 1.00 0.00 H ATOM 1128 HG13 VAL A 93 -14.745 5.846 0.638 1.00 0.00 H ATOM 1129 HG21 VAL A 93 -12.634 7.406 -0.996 1.00 0.00 H ATOM 1130 HG22 VAL A 93 -11.399 7.508 0.282 1.00 0.00 H ATOM 1131 HG23 VAL A 93 -12.307 5.996 0.041 1.00 0.00 H ATOM 1132 H VAL A 93 -11.554 9.063 1.844 1.00 0.00 H ATOM 1133 N LYS A 94 -14.435 9.934 3.054 1.00 23.60 N ATOM 1134 CA LYS A 94 -15.465 10.448 3.943 1.00 24.51 C ATOM 1135 C LYS A 94 -15.984 11.843 3.566 1.00 25.92 C ATOM 1136 O LYS A 94 -17.056 12.261 4.037 1.00 27.89 O ATOM 1137 CB LYS A 94 -14.923 10.488 5.365 1.00 26.06 C ATOM 1138 CG LYS A 94 -14.482 9.107 5.838 1.00 27.88 C ATOM 1139 CD LYS A 94 -14.015 9.176 7.267 1.00 32.26 C ATOM 1140 CE LYS A 94 -13.537 7.832 7.791 1.00 35.01 C ATOM 1141 NZ LYS A 94 -13.307 7.983 9.273 1.00 37.28 N ATOM 1142 HA LYS A 94 -16.313 9.769 3.853 1.00 0.00 H ATOM 1143 HB2 LYS A 94 -14.068 11.163 5.399 1.00 0.00 H ATOM 1144 HB3 LYS A 94 -15.703 10.858 6.031 1.00 0.00 H ATOM 1145 HG2 LYS A 94 -15.321 8.415 5.765 1.00 0.00 H ATOM 1146 HG3 LYS A 94 -13.666 8.753 5.208 1.00 0.00 H ATOM 1147 HD2 LYS A 94 -13.193 9.889 7.332 1.00 0.00 H ATOM 1148 HD3 LYS A 94 -14.842 9.519 7.889 1.00 0.00 H ATOM 1149 HE2 LYS A 94 -12.608 7.548 7.296 1.00 0.00 H ATOM 1150 HE3 LYS A 94 -14.294 7.069 7.607 1.00 0.00 H ATOM 1151 HZ1 LYS A 94 -12.588 8.716 9.438 1.00 0.00 H ATOM 1152 HZ2 LYS A 94 -14.197 8.259 9.734 1.00 0.00 H ATOM 1153 HZ3 LYS A 94 -12.978 7.078 9.665 1.00 0.00 H ATOM 1154 H LYS A 94 -13.465 9.814 3.408 1.00 0.00 H ATOM 1155 N GLU A 95 -15.244 12.585 2.747 1.00 24.38 N ATOM 1156 CA GLU A 95 -15.708 13.932 2.381 1.00 23.08 C ATOM 1157 C GLU A 95 -16.684 13.841 1.215 1.00 22.08 C ATOM 1158 O GLU A 95 -16.357 14.188 0.091 1.00 22.09 O ATOM 1159 CB GLU A 95 -14.517 14.798 1.964 1.00 25.04 C ATOM 1160 CG GLU A 95 -13.419 14.844 3.000 1.00 24.73 C ATOM 1161 CD GLU A 95 -12.257 15.684 2.534 1.00 28.83 C ATOM 1162 OE1 GLU A 95 -11.421 15.212 1.717 1.00 27.69 O ATOM 1163 OE2 GLU A 95 -12.195 16.859 2.964 1.00 31.99 O ATOM 1164 HA GLU A 95 -16.203 14.379 3.243 1.00 0.00 H ATOM 1165 HB2 GLU A 95 -14.104 14.396 1.039 1.00 0.00 H ATOM 1166 HB3 GLU A 95 -14.872 15.814 1.790 1.00 0.00 H ATOM 1167 HG2 GLU A 95 -13.818 15.270 3.921 1.00 0.00 H ATOM 1168 HG3 GLU A 95 -13.069 13.830 3.192 1.00 0.00 H ATOM 1169 H GLU A 95 -14.347 12.217 2.370 1.00 0.00 H ATOM 1170 N HIS A 96 -17.910 13.404 1.483 1.00 22.49 N ATOM 1171 CA HIS A 96 -18.877 13.251 0.395 1.00 23.67 C ATOM 1172 C HIS A 96 -19.165 14.478 -0.451 1.00 23.74 C ATOM 1173 O HIS A 96 -19.254 14.404 -1.688 1.00 22.56 O ATOM 1174 CB HIS A 96 -20.164 12.672 0.969 1.00 25.77 C ATOM 1175 CG HIS A 96 -19.960 11.308 1.537 1.00 27.09 C ATOM 1176 ND1 HIS A 96 -20.969 10.536 2.064 1.00 31.45 N ATOM 1177 CD2 HIS A 96 -18.823 10.579 1.663 1.00 25.69 C ATOM 1178 CE1 HIS A 96 -20.464 9.388 2.498 1.00 31.34 C ATOM 1179 NE2 HIS A 96 -19.159 9.395 2.267 1.00 26.11 N ATOM 1180 HA HIS A 96 -18.403 12.576 -0.318 1.00 0.00 H ATOM 1181 HB2 HIS A 96 -20.525 13.331 1.758 1.00 0.00 H ATOM 1182 HB3 HIS A 96 -20.909 12.615 0.175 1.00 0.00 H ATOM 1183 HD2 HIS A 96 -17.825 10.879 1.343 1.00 0.00 H ATOM 1184 HE1 HIS A 96 -21.026 8.579 2.964 1.00 0.00 H ATOM 1185 H HIS A 96 -18.181 13.172 2.460 1.00 0.00 H ATOM 1186 N ARG A 97 -19.343 15.605 0.220 1.00 24.78 N ATOM 1187 CA ARG A 97 -19.655 16.827 -0.484 1.00 23.81 C ATOM 1188 C ARG A 97 -18.515 17.176 -1.428 1.00 24.26 C ATOM 1189 O ARG A 97 -18.736 17.566 -2.573 1.00 25.18 O ATOM 1190 CB ARG A 97 -19.898 17.962 0.506 1.00 24.41 C ATOM 1191 CG ARG A 97 -20.244 19.262 -0.216 1.00 23.31 C ATOM 1192 CD ARG A 97 -20.240 20.435 0.747 1.00 27.49 C ATOM 1193 NE ARG A 97 -21.190 20.264 1.813 1.00 29.66 N ATOM 1194 CZ ARG A 97 -22.434 20.749 1.799 1.00 27.56 C ATOM 1195 NH1 ARG A 97 -22.874 21.450 0.766 1.00 28.50 N ATOM 1196 NH2 ARG A 97 -23.235 20.495 2.833 1.00 26.39 N ATOM 1197 HA ARG A 97 -20.565 16.683 -1.066 1.00 0.00 H ATOM 1198 HB2 ARG A 97 -20.724 17.690 1.163 1.00 0.00 H ATOM 1199 HB3 ARG A 97 -18.997 18.114 1.100 1.00 0.00 H ATOM 1200 HG2 ARG A 97 -19.509 19.441 -1.000 1.00 0.00 H ATOM 1201 HG3 ARG A 97 -21.234 19.170 -0.662 1.00 0.00 H ATOM 1202 HD2 ARG A 97 -20.488 21.343 0.197 1.00 0.00 H ATOM 1203 HD3 ARG A 97 -19.243 20.534 1.177 1.00 0.00 H ATOM 1204 HE ARG A 97 -20.888 19.727 2.651 1.00 0.00 H ATOM 1205 HH12 ARG A 97 -23.845 21.823 0.766 1.00 0.00 H ATOM 1206 HH11 ARG A 97 -22.249 21.628 -0.046 1.00 0.00 H ATOM 1207 HH22 ARG A 97 -24.207 20.864 2.841 1.00 0.00 H ATOM 1208 HH21 ARG A 97 -22.888 19.928 3.633 1.00 0.00 H ATOM 1209 H ARG A 97 -19.258 15.611 1.257 1.00 0.00 H ATOM 1210 N LYS A 98 -17.281 17.034 -0.944 1.00 25.69 N ATOM 1211 CA LYS A 98 -16.113 17.336 -1.770 1.00 26.04 C ATOM 1212 C LYS A 98 -16.091 16.458 -3.034 1.00 25.34 C ATOM 1213 O LYS A 98 -15.837 16.936 -4.148 1.00 26.49 O ATOM 1214 CB LYS A 98 -14.828 17.158 -0.933 1.00 28.64 C ATOM 1215 CG LYS A 98 -13.579 17.777 -1.584 1.00 33.87 C ATOM 1216 CD LYS A 98 -12.275 17.464 -0.791 1.00 35.41 C ATOM 1217 CE LYS A 98 -11.164 18.496 -1.130 1.00 39.92 C ATOM 1218 NZ LYS A 98 -9.777 17.987 -0.834 1.00 42.14 N ATOM 1219 HA LYS A 98 -16.169 18.373 -2.102 1.00 0.00 H ATOM 1220 HB2 LYS A 98 -14.981 17.629 0.038 1.00 0.00 H ATOM 1221 HB3 LYS A 98 -14.652 16.091 -0.794 1.00 0.00 H ATOM 1222 HG2 LYS A 98 -13.478 17.380 -2.594 1.00 0.00 H ATOM 1223 HG3 LYS A 98 -13.709 18.858 -1.631 1.00 0.00 H ATOM 1224 HD2 LYS A 98 -12.487 17.505 0.277 1.00 0.00 H ATOM 1225 HD3 LYS A 98 -11.928 16.465 -1.053 1.00 0.00 H ATOM 1226 HE2 LYS A 98 -11.336 19.398 -0.542 1.00 0.00 H ATOM 1227 HE3 LYS A 98 -11.226 18.738 -2.191 1.00 0.00 H ATOM 1228 HZ1 LYS A 98 -9.701 17.761 0.178 1.00 0.00 H ATOM 1229 HZ2 LYS A 98 -9.596 17.131 -1.396 1.00 0.00 H ATOM 1230 HZ3 LYS A 98 -9.080 18.719 -1.081 1.00 0.00 H ATOM 1231 H LYS A 98 -17.147 16.704 0.033 1.00 0.00 H ATOM 1232 N ILE A 99 -16.364 15.164 -2.866 1.00 25.30 N ATOM 1233 CA ILE A 99 -16.413 14.246 -3.988 1.00 24.72 C ATOM 1234 C ILE A 99 -17.524 14.575 -4.951 1.00 25.56 C ATOM 1235 O ILE A 99 -17.334 14.576 -6.160 1.00 26.87 O ATOM 1236 CB ILE A 99 -16.540 12.806 -3.487 1.00 25.54 C ATOM 1237 CG1 ILE A 99 -15.251 12.473 -2.752 1.00 24.14 C ATOM 1238 CG2 ILE A 99 -16.955 11.871 -4.623 1.00 25.95 C ATOM 1239 CD1 ILE A 99 -15.318 11.208 -1.923 1.00 28.48 C ATOM 1240 HA ILE A 99 -15.478 14.353 -4.537 1.00 0.00 H ATOM 1241 HB ILE A 99 -17.348 12.670 -2.768 1.00 0.00 H ATOM 1242 HG12 ILE A 99 -14.457 12.357 -3.490 1.00 0.00 H ATOM 1243 HG13 ILE A 99 -15.011 13.304 -2.089 1.00 0.00 H ATOM 1244 HD11 ILE A 99 -16.099 11.310 -1.170 1.00 0.00 H ATOM 1245 HD12 ILE A 99 -15.545 10.362 -2.571 1.00 0.00 H ATOM 1246 HD13 ILE A 99 -14.358 11.045 -1.433 1.00 0.00 H ATOM 1247 HG21 ILE A 99 -17.917 12.191 -5.022 1.00 0.00 H ATOM 1248 HG22 ILE A 99 -16.204 11.904 -5.412 1.00 0.00 H ATOM 1249 HG23 ILE A 99 -17.039 10.853 -4.242 1.00 0.00 H ATOM 1250 H ILE A 99 -16.546 14.804 -1.907 1.00 0.00 H ATOM 1251 N TYR A 100 -18.699 14.890 -4.443 1.00 25.77 N ATOM 1252 CA TYR A 100 -19.788 15.260 -5.352 1.00 26.99 C ATOM 1253 C TYR A 100 -19.449 16.529 -6.132 1.00 27.99 C ATOM 1254 O TYR A 100 -19.731 16.608 -7.351 1.00 29.91 O ATOM 1255 CB TYR A 100 -21.092 15.491 -4.571 1.00 27.35 C ATOM 1256 CG TYR A 100 -21.950 14.255 -4.441 1.00 29.81 C ATOM 1257 CD1 TYR A 100 -21.506 13.138 -3.736 1.00 28.95 C ATOM 1258 CD2 TYR A 100 -23.245 14.226 -4.986 1.00 31.95 C ATOM 1259 CE1 TYR A 100 -22.328 12.005 -3.570 1.00 30.58 C ATOM 1260 CE2 TYR A 100 -24.075 13.116 -4.823 1.00 29.34 C ATOM 1261 CZ TYR A 100 -23.619 12.018 -4.122 1.00 31.41 C ATOM 1262 OH TYR A 100 -24.473 10.948 -3.948 1.00 33.38 O ATOM 1263 HA TYR A 100 -19.920 14.435 -6.052 1.00 0.00 H ATOM 1264 HB3 TYR A 100 -21.670 16.259 -5.085 1.00 0.00 H ATOM 1265 HB2 TYR A 100 -20.837 15.840 -3.570 1.00 0.00 H ATOM 1266 HD2 TYR A 100 -23.608 15.087 -5.547 1.00 0.00 H ATOM 1267 HE2 TYR A 100 -25.079 13.116 -5.247 1.00 0.00 H ATOM 1268 HE1 TYR A 100 -21.968 11.134 -3.023 1.00 0.00 H ATOM 1269 HD1 TYR A 100 -20.505 13.140 -3.305 1.00 0.00 H ATOM 1270 HH TYR A 100 -24.013 10.240 -3.431 1.00 0.00 H ATOM 1271 H TYR A 100 -18.851 14.876 -3.414 1.00 0.00 H ATOM 1272 N THR A 101 -18.835 17.491 -5.443 1.00 28.76 N ATOM 1273 CA THR A 101 -18.461 18.768 -6.060 1.00 33.19 C ATOM 1274 C THR A 101 -17.478 18.563 -7.225 1.00 33.65 C ATOM 1275 O THR A 101 -17.554 19.242 -8.278 1.00 32.21 O ATOM 1276 CB THR A 101 -17.892 19.712 -5.024 1.00 33.95 C ATOM 1277 OG1 THR A 101 -18.889 19.931 -4.018 1.00 37.08 O ATOM 1278 CG2 THR A 101 -17.526 21.057 -5.662 1.00 37.33 C ATOM 1279 HA THR A 101 -19.363 19.219 -6.473 1.00 0.00 H ATOM 1280 HB THR A 101 -16.992 19.273 -4.593 1.00 0.00 H ATOM 1281 HG1 THR A 101 -19.126 19.067 -3.597 1.00 0.00 H ATOM 1282 HG23 THR A 101 -16.768 20.900 -6.429 1.00 0.00 H ATOM 1283 HG21 THR A 101 -18.415 21.497 -6.113 1.00 0.00 H ATOM 1284 HG22 THR A 101 -17.136 21.727 -4.896 1.00 0.00 H ATOM 1285 H THR A 101 -18.615 17.331 -4.439 1.00 0.00 H ATOM 1286 N MET A 102 -16.598 17.585 -7.061 1.00 34.10 N ATOM 1287 CA MET A 102 -15.644 17.240 -8.118 1.00 33.14 C ATOM 1288 C MET A 102 -16.392 16.692 -9.312 1.00 34.14 C ATOM 1289 O MET A 102 -16.168 17.114 -10.441 1.00 35.56 O ATOM 1290 CB MET A 102 -14.619 16.205 -7.625 1.00 35.60 C ATOM 1291 CG MET A 102 -13.642 15.728 -8.740 1.00 36.33 C ATOM 1292 SD MET A 102 -14.398 14.622 -9.992 1.00 37.25 S ATOM 1293 CE MET A 102 -14.244 12.999 -9.166 1.00 37.71 C ATOM 1294 HA MET A 102 -15.103 18.143 -8.403 1.00 0.00 H ATOM 1295 HB2 MET A 102 -14.035 16.652 -6.820 1.00 0.00 H ATOM 1296 HB3 MET A 102 -15.158 15.338 -7.243 1.00 0.00 H ATOM 1297 HG2 MET A 102 -12.819 15.193 -8.266 1.00 0.00 H ATOM 1298 HG3 MET A 102 -13.254 16.608 -9.253 1.00 0.00 H ATOM 1299 HE1 MET A 102 -13.192 12.787 -8.977 1.00 0.00 H ATOM 1300 HE2 MET A 102 -14.787 13.021 -8.221 1.00 0.00 H ATOM 1301 HE3 MET A 102 -14.662 12.224 -9.809 1.00 0.00 H ATOM 1302 H MET A 102 -16.585 17.054 -6.167 1.00 0.00 H ATOM 1303 N ILE A 103 -17.302 15.752 -9.095 1.00 33.00 N ATOM 1304 CA ILE A 103 -18.034 15.225 -10.229 1.00 34.12 C ATOM 1305 C ILE A 103 -18.801 16.349 -10.942 1.00 36.06 C ATOM 1306 O ILE A 103 -18.667 16.528 -12.166 1.00 37.14 O ATOM 1307 CB ILE A 103 -18.999 14.117 -9.784 1.00 32.25 C ATOM 1308 CG1 ILE A 103 -18.195 12.909 -9.299 1.00 32.82 C ATOM 1309 CG2 ILE A 103 -19.969 13.789 -10.905 1.00 28.47 C ATOM 1310 CD1 ILE A 103 -18.948 11.998 -8.372 1.00 32.05 C ATOM 1311 HA ILE A 103 -17.318 14.795 -10.929 1.00 0.00 H ATOM 1312 HB ILE A 103 -19.607 14.452 -8.944 1.00 0.00 H ATOM 1313 HG12 ILE A 103 -17.887 12.331 -10.170 1.00 0.00 H ATOM 1314 HG13 ILE A 103 -17.311 13.274 -8.776 1.00 0.00 H ATOM 1315 HD11 ILE A 103 -19.254 12.555 -7.486 1.00 0.00 H ATOM 1316 HD12 ILE A 103 -19.830 11.611 -8.882 1.00 0.00 H ATOM 1317 HD13 ILE A 103 -18.304 11.169 -8.077 1.00 0.00 H ATOM 1318 HG21 ILE A 103 -20.541 14.681 -11.161 1.00 0.00 H ATOM 1319 HG22 ILE A 103 -19.412 13.450 -11.778 1.00 0.00 H ATOM 1320 HG23 ILE A 103 -20.648 13.002 -10.577 1.00 0.00 H ATOM 1321 H ILE A 103 -17.486 15.401 -8.133 1.00 0.00 H ATOM 1322 N TYR A 104 -19.556 17.134 -10.179 1.00 36.29 N ATOM 1323 CA TYR A 104 -20.360 18.211 -10.746 1.00 38.11 C ATOM 1324 C TYR A 104 -19.534 19.191 -11.585 1.00 40.04 C ATOM 1325 O TYR A 104 -19.971 19.633 -12.654 1.00 41.38 O ATOM 1326 CB TYR A 104 -21.122 18.956 -9.629 1.00 37.31 C ATOM 1327 CG TYR A 104 -22.265 18.174 -8.990 1.00 36.37 C ATOM 1328 CD1 TYR A 104 -23.064 17.318 -9.743 1.00 37.98 C ATOM 1329 CD2 TYR A 104 -22.561 18.305 -7.619 1.00 39.04 C ATOM 1330 CE1 TYR A 104 -24.125 16.609 -9.171 1.00 36.65 C ATOM 1331 CE2 TYR A 104 -23.630 17.593 -7.023 1.00 35.43 C ATOM 1332 CZ TYR A 104 -24.407 16.747 -7.822 1.00 38.07 C ATOM 1333 OH TYR A 104 -25.495 16.064 -7.317 1.00 39.82 O ATOM 1334 HA TYR A 104 -21.077 17.749 -11.425 1.00 0.00 H ATOM 1335 HB3 TYR A 104 -21.535 19.871 -10.054 1.00 0.00 H ATOM 1336 HB2 TYR A 104 -20.408 19.211 -8.846 1.00 0.00 H ATOM 1337 HD2 TYR A 104 -21.954 18.969 -7.004 1.00 0.00 H ATOM 1338 HE2 TYR A 104 -23.844 17.702 -5.960 1.00 0.00 H ATOM 1339 HE1 TYR A 104 -24.731 15.946 -9.788 1.00 0.00 H ATOM 1340 HD1 TYR A 104 -22.857 17.197 -10.806 1.00 0.00 H ATOM 1341 HH TYR A 104 -25.907 15.524 -8.037 1.00 0.00 H ATOM 1342 H TYR A 104 -19.574 16.976 -9.151 1.00 0.00 H ATOM 1343 N ARG A 105 -18.341 19.518 -11.130 1.00 39.97 N ATOM 1344 CA ARG A 105 -17.540 20.453 -11.888 1.00 42.37 C ATOM 1345 C ARG A 105 -16.971 19.757 -13.104 1.00 41.39 C ATOM 1346 O ARG A 105 -16.485 20.401 -14.026 1.00 40.47 O ATOM 1347 CB ARG A 105 -16.426 21.054 -11.026 1.00 45.31 C ATOM 1348 CG ARG A 105 -15.132 20.260 -10.977 1.00 50.36 C ATOM 1349 CD ARG A 105 -13.923 21.165 -10.635 1.00 54.76 C ATOM 1350 NE ARG A 105 -13.772 21.440 -9.202 1.00 57.40 N ATOM 1351 CZ ARG A 105 -13.422 20.527 -8.291 1.00 58.75 C ATOM 1352 NH1 ARG A 105 -13.180 19.270 -8.651 1.00 60.10 N ATOM 1353 NH2 ARG A 105 -13.321 20.862 -7.012 1.00 58.29 N ATOM 1354 HA ARG A 105 -18.174 21.277 -12.215 1.00 0.00 H ATOM 1355 HB2 ARG A 105 -16.197 22.045 -11.417 1.00 0.00 H ATOM 1356 HB3 ARG A 105 -16.802 21.145 -10.007 1.00 0.00 H ATOM 1357 HG2 ARG A 105 -15.221 19.484 -10.216 1.00 0.00 H ATOM 1358 HG3 ARG A 105 -14.964 19.796 -11.949 1.00 0.00 H ATOM 1359 HD2 ARG A 105 -14.047 22.115 -11.156 1.00 0.00 H ATOM 1360 HD3 ARG A 105 -13.016 20.674 -10.988 1.00 0.00 H ATOM 1361 HE ARG A 105 -13.949 22.411 -8.873 1.00 0.00 H ATOM 1362 HH12 ARG A 105 -12.908 18.567 -7.934 1.00 0.00 H ATOM 1363 HH11 ARG A 105 -13.262 18.990 -9.649 1.00 0.00 H ATOM 1364 HH22 ARG A 105 -13.048 20.147 -6.307 1.00 0.00 H ATOM 1365 HH21 ARG A 105 -13.515 21.839 -6.714 1.00 0.00 H ATOM 1366 H ARG A 105 -17.983 19.111 -10.243 1.00 0.00 H ATOM 1367 N ASN A 106 -17.063 18.431 -13.123 1.00 39.63 N ATOM 1368 CA ASN A 106 -16.554 17.685 -14.248 1.00 38.15 C ATOM 1369 C ASN A 106 -17.625 17.086 -15.124 1.00 39.01 C ATOM 1370 O ASN A 106 -17.439 16.035 -15.747 1.00 35.19 O ATOM 1371 CB ASN A 106 -15.593 16.631 -13.749 1.00 35.74 C ATOM 1372 CG ASN A 106 -14.239 17.205 -13.496 1.00 37.16 C ATOM 1373 OD1 ASN A 106 -13.457 17.423 -14.437 1.00 37.19 O ATOM 1374 ND2 ASN A 106 -13.948 17.500 -12.235 1.00 33.47 N ATOM 1375 HA ASN A 106 -16.032 18.391 -14.894 1.00 0.00 H ATOM 1376 HB2 ASN A 106 -15.979 16.210 -12.821 1.00 0.00 H ATOM 1377 HB3 ASN A 106 -15.510 15.843 -14.498 1.00 0.00 H ATOM 1378 HD22 ASN A 106 -14.636 17.298 -11.482 1.00 0.00 H ATOM 1379 HD21 ASN A 106 -13.032 17.933 -12.000 1.00 0.00 H ATOM 1380 H ASN A 106 -17.503 17.930 -12.325 1.00 0.00 H ATOM 1381 N LEU A 107 -18.740 17.805 -15.183 1.00 41.11 N ATOM 1382 CA LEU A 107 -19.913 17.423 -15.964 1.00 45.02 C ATOM 1383 C LEU A 107 -20.218 18.471 -17.022 1.00 47.42 C ATOM 1384 O LEU A 107 -19.915 19.651 -16.831 1.00 48.02 O ATOM 1385 CB LEU A 107 -21.128 17.307 -15.056 1.00 45.51 C ATOM 1386 CG LEU A 107 -21.110 16.115 -14.105 1.00 46.45 C ATOM 1387 CD1 LEU A 107 -22.432 16.064 -13.328 1.00 46.52 C ATOM 1388 CD2 LEU A 107 -20.901 14.837 -14.909 1.00 45.76 C ATOM 1389 HA LEU A 107 -19.699 16.466 -16.441 1.00 0.00 H ATOM 1390 HB2 LEU A 107 -21.192 18.216 -14.458 1.00 0.00 H ATOM 1391 HB3 LEU A 107 -22.014 17.225 -15.685 1.00 0.00 H ATOM 1392 HG LEU A 107 -20.293 16.215 -13.390 1.00 0.00 H ATOM 1393 HD21 LEU A 107 -21.715 14.723 -15.625 1.00 0.00 H ATOM 1394 HD22 LEU A 107 -19.952 14.896 -15.442 1.00 0.00 H ATOM 1395 HD23 LEU A 107 -20.887 13.982 -14.233 1.00 0.00 H ATOM 1396 HD11 LEU A 107 -22.552 16.985 -12.757 1.00 0.00 H ATOM 1397 HD12 LEU A 107 -23.260 15.959 -14.029 1.00 0.00 H ATOM 1398 HD13 LEU A 107 -22.420 15.212 -12.648 1.00 0.00 H ATOM 1399 H LEU A 107 -18.780 18.692 -14.641 1.00 0.00 H ATOM 1400 N VAL A 108 -20.823 18.047 -18.129 1.00 49.91 N ATOM 1401 CA VAL A 108 -21.161 18.993 -19.193 1.00 52.35 C ATOM 1402 C VAL A 108 -22.633 19.427 -19.168 1.00 53.02 C ATOM 1403 O VAL A 108 -23.415 18.933 -18.321 1.00 54.27 O ATOM 1404 CB VAL A 108 -20.787 18.427 -20.609 1.00 52.49 C ATOM 1405 CG1 VAL A 108 -19.311 18.105 -20.674 1.00 52.69 C ATOM 1406 CG2 VAL A 108 -21.578 17.192 -20.919 1.00 53.74 C ATOM 1407 HA VAL A 108 -20.560 19.881 -18.999 1.00 0.00 H ATOM 1408 HB VAL A 108 -21.025 19.193 -21.347 1.00 0.00 H ATOM 1409 HG11 VAL A 108 -18.734 19.011 -20.489 1.00 0.00 H ATOM 1410 HG12 VAL A 108 -19.070 17.359 -19.917 1.00 0.00 H ATOM 1411 HG13 VAL A 108 -19.069 17.714 -21.662 1.00 0.00 H ATOM 1412 HG21 VAL A 108 -21.367 16.429 -20.170 1.00 0.00 H ATOM 1413 HG22 VAL A 108 -22.641 17.431 -20.907 1.00 0.00 H ATOM 1414 HG23 VAL A 108 -21.299 16.821 -21.905 1.00 0.00 H ATOM 1415 H VAL A 108 -21.056 17.039 -18.238 1.00 0.00 H TER 1416 VAL A 108 HETATM 1417 O HOH 1 -13.507 16.104 -16.946 1.00 33.38 O HETATM 1418 O HOH 2 -13.924 18.762 -4.978 1.00 32.77 O HETATM 1419 O HOH 3 -17.648 7.211 3.198 1.00 24.38 O HETATM 1420 O HOH 4 -19.553 15.722 3.402 1.00 27.49 O HETATM 1421 O HOH 5 -16.817 17.070 2.361 1.00 30.06 O HETATM 1422 O HOH 6 -28.233 8.288 -9.271 1.00 38.34 O HETATM 1423 O HOH 7 -12.390 17.529 -19.313 1.00 30.95 O HETATM 1424 O HOH 8 -20.532 12.631 -21.599 1.00 35.16 O HETATM 1425 O HOH 9 -22.413 19.680 5.473 1.00 42.46 O HETATM 1426 O HOH 10 0.362 4.536 5.226 1.00 32.95 O HETATM 1427 O HOH 11 -1.380 6.537 -10.219 1.00 45.10 O HETATM 1428 O HOH 12 -3.450 8.605 -14.588 1.00 39.60 O HETATM 1429 O HOH 13 -25.601 17.793 -19.488 1.00 54.71 O HETATM 1430 O HOH 14 0.250 -3.562 -7.208 1.00 57.33 O HETATM 1431 O HOH 15 -18.619 10.860 5.610 1.00 38.82 O HETATM 1432 O HOH 16 1.410 -3.597 -9.419 1.00 41.95 O HETATM 1433 O HOH 17 -5.541 -1.123 6.797 1.00 46.37 O HETATM 1434 O HOH 18 -12.047 12.095 6.874 1.00 34.56 O HETATM 1435 O HOH 19 -12.596 11.457 -22.870 1.00 35.28 O HETATM 1436 O HOH 20 -20.066 21.458 -14.794 1.00 51.88 O HETATM 1437 O HOH 21 -15.007 23.014 -14.088 1.00 49.65 O HETATM 1438 O HOH 22 -13.421 8.753 -23.188 1.00 41.20 O HETATM 1439 O HOH 23 -23.958 19.954 -15.078 1.00 48.45 O HETATM 1440 O HOH 24 -24.828 16.572 -17.119 1.00 36.67 O HETATM 1441 O HOH 25 -0.854 12.883 -3.170 1.00 30.12 O HETATM 1442 O HOH 26 -23.575 10.679 -26.583 1.00 57.85 O HETATM 1443 O HOH 27 -20.171 18.461 4.005 1.00 43.62 O HETATM 1444 O HOH 28 -21.816 21.789 -1.972 1.00 31.48 O HETATM 1445 O HOH 29 -17.501 14.627 -22.568 1.00 46.02 O HETATM 1446 O HOH 30 -5.269 -3.668 -8.495 1.00 61.68 O HETATM 1447 O HOH 31 -7.737 2.780 -15.312 1.00 36.60 O HETATM 1448 O HOH 32 -3.693 18.079 -8.124 1.00 58.23 O HETATM 1449 O HOH 33 -7.812 -2.510 5.029 1.00 55.93 O HETATM 1450 O HOH 34 -11.480 19.289 5.705 1.00 55.01 O HETATM 1451 O HOH 35 -11.654 6.967 -23.557 1.00 44.77 O HETATM 1452 O HOH 36 -1.271 9.274 -7.157 1.00 44.88 O HETATM 1453 O HOH 37 -11.146 5.819 10.014 1.00 44.67 O HETATM 1454 O HOH 38 -21.693 3.769 -26.600 1.00 56.41 O HETATM 1455 O HOH 39 -8.874 -2.993 1.256 1.00 45.12 O HETATM 1456 O HOH 40 -23.844 9.349 -2.231 1.00 43.26 O HETATM 1457 O HOH 41 -7.035 -4.226 3.319 1.00 42.46 O HETATM 1458 O HOH 42 -15.193 -2.192 -13.744 1.00 52.37 O HETATM 1459 O HOH 43 -10.275 5.788 -21.054 1.00 36.61 O HETATM 1460 O HOH 44 -6.960 -2.752 -4.697 1.00 39.30 O HETATM 1461 O HOH 45 -25.350 7.080 -4.094 1.00 41.49 O HETATM 1462 O HOH 46 -10.099 4.221 7.917 1.00 36.02 O HETATM 1463 O HOH 47 -11.242 -2.507 -0.105 1.00 34.43 O HETATM 1464 O HOH 48 -12.213 -3.624 10.720 1.00 47.79 O HETATM 1465 O HOH 49 -18.353 8.362 6.607 1.00 54.70 O HETATM 1466 O HOH 50 -13.832 -7.481 -2.789 1.00 43.68 O HETATM 1467 O HOH 51 -25.736 3.410 4.962 1.00 50.45 O HETATM 1468 O HOH 52 -8.224 1.657 6.783 1.00 38.61 O HETATM 1469 O HOH 53 -13.928 -7.928 -0.628 1.00 52.34 O HETATM 1470 O HOH 54 -17.146 1.113 -6.395 1.00 27.58 O HETATM 1471 O HOH 55 -28.071 8.838 -3.303 1.00 52.08 O HETATM 1472 N GLU A 56 -11.336 0.657 8.738 1.00 0.24 N HETATM 1473 CA GLU A 56 -12.120 0.010 7.632 1.00 0.07 C HETATM 1474 C GLU A 56 -11.403 0.040 6.287 1.00 0.23 C HETATM 1475 O GLU A 56 -10.531 0.873 6.056 1.00 -0.39 O HETATM 1476 N GLU A 56 -11.793 -0.857 5.401 1.00 -0.26 N HETATM 1477 CA GLU A 56 -11.174 -0.976 4.079 1.00 0.16 C HETATM 1478 C GLU A 56 -11.638 0.081 3.117 1.00 0.21 C HETATM 1479 O GLU A 56 -12.624 0.721 3.375 1.00 -0.39 O HETATM 1480 N GLU A 56 -10.920 0.244 2.003 1.00 -0.26 N HETATM 1481 CA GLU A 56 -11.311 1.267 1.030 1.00 0.14 C HETATM 1482 C GLU A 56 -12.735 0.967 0.536 1.00 0.21 C HETATM 1483 O GLU A 56 -13.578 1.862 0.461 1.00 -0.39 O HETATM 1484 N GLU A 56 -12.978 -0.295 0.168 1.00 -0.26 N HETATM 1485 CA GLU A 56 -14.292 -0.715 -0.305 1.00 0.13 C HETATM 1486 C GLU A 56 -15.392 -0.374 0.707 1.00 0.20 C HETATM 1487 O GLU A 56 -16.485 0.031 0.320 1.00 -0.39 O HETATM 1488 N GLU A 56 -15.132 -0.562 1.997 1.00 -0.26 N HETATM 1489 CA GLU A 56 -16.122 -0.223 3.038 1.00 0.14 C HETATM 1490 C GLU A 56 -16.467 1.269 2.978 1.00 0.21 C HETATM 1491 O GLU A 56 -17.652 1.645 2.900 1.00 -0.39 O HETATM 1492 N GLU A 56 -15.449 2.137 3.035 1.00 -0.26 N HETATM 1493 CA GLU A 56 -15.742 3.560 2.943 1.00 0.14 C HETATM 1494 C GLU A 56 -16.451 3.938 1.609 1.00 0.21 C HETATM 1495 O GLU A 56 -17.385 4.719 1.583 1.00 -0.39 O HETATM 1496 N GLU A 56 -15.988 3.362 0.517 1.00 -0.26 N HETATM 1497 CA GLU A 56 -16.542 3.744 -0.747 1.00 0.14 C HETATM 1498 C GLU A 56 -17.977 3.294 -0.892 1.00 0.21 C HETATM 1499 O GLU A 56 -18.824 4.057 -1.396 1.00 -0.39 O HETATM 1500 N GLU A 56 -18.276 2.087 -0.409 1.00 -0.26 N HETATM 1501 CA GLU A 56 -19.637 1.539 -0.535 1.00 0.15 C HETATM 1502 C GLU A 56 -20.651 2.482 0.137 1.00 0.21 C HETATM 1503 O GLU A 56 -21.835 2.536 -0.246 1.00 -0.39 O HETATM 1504 N GLU A 56 -20.211 3.253 1.130 1.00 -0.26 N HETATM 1505 CA GLU A 56 -21.132 4.196 1.755 1.00 0.13 C HETATM 1506 C GLU A 56 -21.610 5.246 0.775 1.00 0.20 C HETATM 1507 O GLU A 56 -22.735 5.749 0.893 1.00 -0.39 O HETATM 1508 N GLU A 56 -20.773 5.612 -0.208 1.00 -0.26 N HETATM 1509 CA GLU A 56 -21.208 6.601 -1.202 1.00 0.13 C HETATM 1510 C GLU A 56 -22.278 6.031 -2.122 1.00 0.20 C HETATM 1511 O GLU A 56 -22.909 6.783 -2.862 1.00 -0.39 O HETATM 1512 N GLU A 56 -22.478 4.708 -2.094 1.00 -0.26 N HETATM 1513 CA GLU A 56 -23.458 4.075 -2.982 1.00 0.13 C HETATM 1514 C GLU A 56 -24.738 3.711 -2.224 1.00 0.20 C HETATM 1515 O GLU A 56 -25.669 3.093 -2.764 1.00 -0.39 O HETATM 1516 N GLU A 56 -24.731 4.080 -0.948 1.00 -0.27 N HETATM 1517 CA GLU A 56 -25.804 3.868 -0.003 1.00 0.12 C HETATM 1518 C GLU A 56 -26.809 5.022 -0.086 1.00 0.06 C HETATM 1519 O GLU A 56 -26.604 5.995 -0.859 1.00 -0.57 O HETATM 1520 OXT GLU A 56 -27.795 4.940 0.668 1.00 -0.57 O HETATM 1521 CB GLU A 56 -25.224 3.834 1.416 1.00 0.08 C HETATM 1522 OG GLU A 56 -26.254 3.804 2.360 1.00 -0.39 O HETATM 1523 H97 GLU A 56 -25.881 3.783 3.233 1.00 0.21 H HETATM 1524 H95 GLU A 56 -24.609 4.731 1.578 1.00 0.06 H HETATM 1525 H96 GLU A 56 -24.600 2.936 1.532 1.00 0.06 H HETATM 1526 H94 GLU A 56 -26.310 2.917 -0.225 1.00 0.07 H HETATM 1527 H93 GLU A 56 -23.912 4.545 -0.612 1.00 0.19 H HETATM 1528 CB GLU A 56 -22.838 2.816 -3.646 1.00 -0.01 C HETATM 1529 CG GLU A 56 -21.491 2.987 -4.342 1.00 -0.04 C HETATM 1530 CD1 GLU A 56 -20.979 1.645 -4.891 1.00 -0.06 C HETATM 1531 H87 GLU A 56 -20.009 1.798 -5.386 1.00 0.02 H HETATM 1532 H88 GLU A 56 -21.703 1.246 -5.617 1.00 0.02 H HETATM 1533 H89 GLU A 56 -20.859 0.931 -4.062 1.00 0.02 H HETATM 1534 CD2 GLU A 56 -21.631 3.948 -5.485 1.00 -0.06 C HETATM 1535 H90 GLU A 56 -21.997 4.915 -5.109 1.00 0.02 H HETATM 1536 H91 GLU A 56 -22.346 3.545 -6.217 1.00 0.02 H HETATM 1537 H92 GLU A 56 -20.653 4.089 -5.967 1.00 0.02 H HETATM 1538 H86 GLU A 56 -20.763 3.382 -3.619 1.00 0.03 H HETATM 1539 H84 GLU A 56 -23.554 2.451 -4.397 1.00 0.03 H HETATM 1540 H85 GLU A 56 -22.711 2.056 -2.861 1.00 0.03 H HETATM 1541 H83 GLU A 56 -23.720 4.792 -3.774 1.00 0.08 H HETATM 1542 H82 GLU A 56 -21.952 4.143 -1.458 1.00 0.19 H HETATM 1543 CB GLU A 56 -20.026 7.031 -2.076 1.00 -0.01 C HETATM 1544 CG GLU A 56 -19.095 8.075 -1.451 1.00 -0.04 C HETATM 1545 CD1 GLU A 56 -17.725 8.076 -2.149 1.00 -0.06 C HETATM 1546 H76 GLU A 56 -17.077 8.832 -1.683 1.00 0.02 H HETATM 1547 H77 GLU A 56 -17.857 8.313 -3.215 1.00 0.02 H HETATM 1548 H78 GLU A 56 -17.262 7.083 -2.048 1.00 0.02 H HETATM 1549 CD2 GLU A 56 -19.742 9.450 -1.617 1.00 -0.06 C HETATM 1550 H79 GLU A 56 -20.723 9.456 -1.120 1.00 0.02 H HETATM 1551 H80 GLU A 56 -19.872 9.667 -2.687 1.00 0.02 H HETATM 1552 H81 GLU A 56 -19.096 10.216 -1.163 1.00 0.02 H HETATM 1553 H75 GLU A 56 -18.959 7.853 -0.382 1.00 0.03 H HETATM 1554 H73 GLU A 56 -20.429 7.450 -3.010 1.00 0.03 H HETATM 1555 H74 GLU A 56 -19.428 6.136 -2.304 1.00 0.03 H HETATM 1556 H72 GLU A 56 -21.612 7.478 -0.675 1.00 0.08 H HETATM 1557 H71 GLU A 56 -19.858 5.213 -0.263 1.00 0.19 H HETATM 1558 CB GLU A 56 -20.500 4.870 2.961 1.00 0.00 C HETATM 1559 CG GLU A 56 -20.106 3.888 4.030 1.00 0.04 C HETATM 1560 CD GLU A 56 -19.747 4.557 5.348 1.00 0.17 C HETATM 1561 OE1 GLU A 56 -19.442 3.874 6.333 1.00 -0.40 O HETATM 1562 NE2 GLU A 56 -19.780 5.894 5.379 1.00 -0.30 N HETATM 1563 H69 GLU A 56 -19.552 6.380 6.223 1.00 0.18 H HETATM 1564 H70 GLU A 56 -20.033 6.407 4.559 1.00 0.18 H HETATM 1565 H67 GLU A 56 -19.234 3.317 3.678 1.00 0.05 H HETATM 1566 H68 GLU A 56 -20.948 3.202 4.203 1.00 0.05 H HETATM 1567 H65 GLU A 56 -21.223 5.582 3.386 1.00 0.03 H HETATM 1568 H66 GLU A 56 -19.601 5.412 2.631 1.00 0.03 H HETATM 1569 H64 GLU A 56 -22.009 3.629 2.101 1.00 0.08 H HETATM 1570 H63 GLU A 56 -19.263 3.186 1.442 1.00 0.19 H HETATM 1571 CB GLU A 56 -19.687 0.120 0.080 1.00 0.08 C HETATM 1572 OG GLU A 56 -19.557 0.224 1.496 1.00 -0.39 O HETATM 1573 H62 GLU A 56 -18.728 0.637 1.707 1.00 0.21 H HETATM 1574 H60 GLU A 56 -18.862 -0.486 -0.323 1.00 0.06 H HETATM 1575 H61 GLU A 56 -20.647 -0.356 -0.168 1.00 0.06 H HETATM 1576 H59 GLU A 56 -19.890 1.464 -1.603 1.00 0.08 H HETATM 1577 H58 GLU A 56 -17.567 1.547 0.044 1.00 0.19 H HETATM 1578 CB GLU A 56 -15.665 3.233 -1.894 1.00 0.00 C HETATM 1579 CG GLU A 56 -16.019 4.006 -3.147 1.00 -0.04 C HETATM 1580 CD1 GLU A 56 -16.949 3.676 -4.095 1.00 0.02 C HETATM 1581 NE1 GLU A 56 -17.078 4.709 -5.029 1.00 -0.29 N HETATM 1582 CE2 GLU A 56 -16.233 5.723 -4.666 1.00 0.06 C HETATM 1583 CD2 GLU A 56 -15.535 5.305 -3.490 1.00 -0.02 C HETATM 1584 CE3 GLU A 56 -14.573 6.166 -2.919 1.00 -0.07 C HETATM 1585 CZ3 GLU A 56 -14.341 7.409 -3.524 1.00 -0.08 C HETATM 1586 CH2 GLU A 56 -15.060 7.796 -4.683 1.00 -0.08 C HETATM 1587 CZ2 GLU A 56 -16.006 6.973 -5.270 1.00 -0.04 C HETATM 1588 H55 GLU A 56 -16.549 7.279 -6.157 1.00 0.05 H HETATM 1589 H57 GLU A 56 -14.863 8.767 -5.123 1.00 0.05 H HETATM 1590 H56 GLU A 56 -13.604 8.082 -3.101 1.00 0.05 H HETATM 1591 H54 GLU A 56 -14.025 5.872 -2.031 1.00 0.05 H HETATM 1592 H53 GLU A 56 -17.701 4.707 -5.849 1.00 0.22 H HETATM 1593 H52 GLU A 56 -17.509 2.742 -4.119 1.00 0.08 H HETATM 1594 H50 GLU A 56 -15.851 2.161 -2.054 1.00 0.04 H HETATM 1595 H51 GLU A 56 -14.604 3.389 -1.649 1.00 0.04 H HETATM 1596 H49 GLU A 56 -16.538 4.843 -0.792 1.00 0.08 H HETATM 1597 H48 GLU A 56 -15.265 2.673 0.570 1.00 0.19 H HETATM 1598 CB GLU A 56 -14.446 4.364 3.042 1.00 0.00 C HETATM 1599 CG GLU A 56 -13.762 4.153 4.355 1.00 -0.04 C HETATM 1600 CD1 GLU A 56 -12.533 3.610 4.561 1.00 0.02 C HETATM 1601 NE1 GLU A 56 -12.276 3.536 5.903 1.00 -0.29 N HETATM 1602 CE2 GLU A 56 -13.344 4.037 6.586 1.00 0.06 C HETATM 1603 CD2 GLU A 56 -14.304 4.437 5.636 1.00 -0.02 C HETATM 1604 CE3 GLU A 56 -15.508 4.990 6.074 1.00 -0.07 C HETATM 1605 CZ3 GLU A 56 -15.723 5.119 7.450 1.00 -0.08 C HETATM 1606 CH2 GLU A 56 -14.740 4.706 8.373 1.00 -0.08 C HETATM 1607 CZ2 GLU A 56 -13.552 4.164 7.956 1.00 -0.04 C HETATM 1608 H45 GLU A 56 -12.800 3.845 8.669 1.00 0.05 H HETATM 1609 H47 GLU A 56 -14.928 4.819 9.435 1.00 0.05 H HETATM 1610 H46 GLU A 56 -16.654 5.541 7.811 1.00 0.05 H HETATM 1611 H44 GLU A 56 -16.260 5.313 5.363 1.00 0.05 H HETATM 1612 H43 GLU A 56 -11.415 3.162 6.328 1.00 0.22 H HETATM 1613 H42 GLU A 56 -11.854 3.283 3.775 1.00 0.08 H HETATM 1614 H40 GLU A 56 -14.680 5.433 2.930 1.00 0.04 H HETATM 1615 H41 GLU A 56 -13.769 4.050 2.233 1.00 0.04 H HETATM 1616 H39 GLU A 56 -16.401 3.832 3.781 1.00 0.08 H HETATM 1617 H38 GLU A 56 -14.508 1.815 3.139 1.00 0.19 H HETATM 1618 CB GLU A 56 -15.599 -0.554 4.449 1.00 0.01 C HETATM 1619 CG GLU A 56 -16.383 0.089 5.564 1.00 -0.00 C HETATM 1620 ND1 GLU A 56 -17.537 -0.460 6.082 1.00 -0.33 N HETATM 1621 CE1 GLU A 56 -18.024 0.335 7.020 1.00 0.09 C HETATM 1622 NE2 GLU A 56 -17.228 1.382 7.134 1.00 -0.28 N HETATM 1623 CD2 GLU A 56 -16.193 1.252 6.236 1.00 0.03 C HETATM 1624 H35 GLU A 56 -15.373 1.954 6.092 1.00 0.07 H HETATM 1625 H37 GLU A 56 -17.360 2.167 7.787 1.00 0.24 H HETATM 1626 H36 GLU A 56 -18.928 0.156 7.600 1.00 0.12 H HETATM 1627 H33 GLU A 56 -14.556 -0.213 4.519 1.00 0.04 H HETATM 1628 H34 GLU A 56 -15.638 -1.645 4.584 1.00 0.04 H HETATM 1629 H32 GLU A 56 -17.035 -0.809 2.853 1.00 0.08 H HETATM 1630 H31 GLU A 56 -14.247 -0.941 2.268 1.00 0.19 H HETATM 1631 CB GLU A 56 -14.293 -2.224 -0.615 1.00 -0.00 C HETATM 1632 CG GLU A 56 -13.647 -2.593 -1.973 1.00 0.00 C HETATM 1633 CD GLU A 56 -13.105 -4.070 -2.027 1.00 0.04 C HETATM 1634 OE1 GLU A 56 -11.879 -4.245 -2.157 1.00 -0.57 O HETATM 1635 OE2 GLU A 56 -13.886 -5.046 -1.926 1.00 -0.57 O HETATM 1636 H29 GLU A 56 -12.807 -1.907 -2.158 1.00 0.04 H HETATM 1637 H30 GLU A 56 -14.402 -2.470 -2.763 1.00 0.04 H HETATM 1638 H27 GLU A 56 -15.336 -2.574 -0.623 1.00 0.03 H HETATM 1639 H28 GLU A 56 -13.739 -2.740 0.182 1.00 0.03 H HETATM 1640 H26 GLU A 56 -14.508 -0.172 -1.237 1.00 0.08 H HETATM 1641 H25 GLU A 56 -12.240 -0.968 0.218 1.00 0.19 H HETATM 1642 CB GLU A 56 -10.355 1.289 -0.162 1.00 0.02 C HETATM 1643 CG GLU A 56 -10.858 2.111 -1.265 1.00 -0.04 C HETATM 1644 CD1 GLU A 56 -10.851 3.504 -1.168 1.00 -0.06 C HETATM 1645 CE1 GLU A 56 -11.482 4.285 -2.112 1.00 -0.07 C HETATM 1646 CZ GLU A 56 -12.131 3.691 -3.173 1.00 -0.07 C HETATM 1647 CE2 GLU A 56 -12.136 2.278 -3.302 1.00 -0.07 C HETATM 1648 CD2 GLU A 56 -11.493 1.506 -2.334 1.00 -0.06 C HETATM 1649 H21 GLU A 56 -11.491 0.425 -2.420 1.00 0.06 H HETATM 1650 H23 GLU A 56 -12.633 1.805 -4.141 1.00 0.06 H HETATM 1651 H24 GLU A 56 -12.638 4.304 -3.909 1.00 0.06 H HETATM 1652 H22 GLU A 56 -11.468 5.365 -2.020 1.00 0.06 H HETATM 1653 H20 GLU A 56 -10.341 3.978 -0.337 1.00 0.06 H HETATM 1654 H18 GLU A 56 -10.217 0.259 -0.523 1.00 0.05 H HETATM 1655 H19 GLU A 56 -9.387 1.695 0.168 1.00 0.05 H HETATM 1656 H17 GLU A 56 -11.294 2.252 1.519 1.00 0.08 H HETATM 1657 H16 GLU A 56 -10.119 -0.330 1.834 1.00 0.19 H HETATM 1658 CB GLU A 56 -11.481 -2.327 3.462 1.00 0.09 C HETATM 1659 OG1 GLU A 56 -12.888 -2.415 3.167 1.00 -0.39 O HETATM 1660 H12 GLU A 56 -13.077 -3.262 2.781 1.00 0.21 H HETATM 1661 CG2 GLU A 56 -11.117 -3.405 4.444 1.00 -0.03 C HETATM 1662 H13 GLU A 56 -11.336 -4.390 4.005 1.00 0.03 H HETATM 1663 H14 GLU A 56 -11.704 -3.275 5.365 1.00 0.03 H HETATM 1664 H15 GLU A 56 -10.045 -3.339 4.680 1.00 0.03 H HETATM 1665 H11 GLU A 56 -10.900 -2.453 2.537 1.00 0.06 H HETATM 1666 H10 GLU A 56 -10.085 -0.880 4.205 1.00 0.08 H HETATM 1667 H9 GLU A 56 -12.539 -1.478 5.641 1.00 0.19 H HETATM 1668 CB GLU A 56 -13.479 0.687 7.530 1.00 0.02 C HETATM 1669 CG GLU A 56 -14.263 0.592 8.816 1.00 0.01 C HETATM 1670 CD GLU A 56 -14.257 -0.820 9.350 1.00 0.04 C HETATM 1671 OE1 GLU A 56 -13.217 -1.223 9.939 1.00 -0.57 O HETATM 1672 OE2 GLU A 56 -15.273 -1.542 9.157 1.00 -0.57 O HETATM 1673 H7 GLU A 56 -15.302 0.901 8.628 1.00 0.04 H HETATM 1674 H8 GLU A 56 -13.811 1.261 9.563 1.00 0.04 H HETATM 1675 H5 GLU A 56 -14.056 0.204 6.727 1.00 0.04 H HETATM 1676 H6 GLU A 56 -13.328 1.749 7.285 1.00 0.04 H HETATM 1677 H4 GLU A 56 -12.277 -1.045 7.901 1.00 0.11 H HETATM 1678 H1 GLU A 56 -11.861 0.605 9.597 1.00 0.20 H HETATM 1679 H2 GLU A 56 -11.164 1.623 8.507 1.00 0.20 H HETATM 1680 H3 GLU A 56 -10.457 0.177 8.852 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1472 1473 1678 1679 1680 CONECT 1473 1472 1474 1668 1677 CONECT 1474 1473 1475 1476 CONECT 1475 1474 CONECT 1476 1474 1477 1667 CONECT 1477 1476 1478 1658 1666 CONECT 1478 1477 1479 1480 CONECT 1479 1478 CONECT 1480 1478 1481 1657 CONECT 1481 1480 1482 1642 1656 CONECT 1482 1481 1483 1484 CONECT 1483 1482 CONECT 1484 1482 1485 1641 CONECT 1485 1484 1486 1631 1640 CONECT 1486 1485 1487 1488 CONECT 1487 1486 CONECT 1488 1486 1489 1630 CONECT 1489 1488 1490 1618 1629 CONECT 1490 1489 1491 1492 CONECT 1491 1490 CONECT 1492 1490 1493 1617 CONECT 1493 1492 1494 1598 1616 CONECT 1494 1493 1495 1496 CONECT 1495 1494 CONECT 1496 1494 1497 1597 CONECT 1497 1496 1498 1578 1596 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1577 CONECT 1501 1500 1502 1571 1576 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 1505 1570 CONECT 1505 1504 1506 1558 1569 CONECT 1506 1505 1507 1508 CONECT 1507 1506 CONECT 1508 1506 1509 1557 CONECT 1509 1508 1510 1543 1556 CONECT 1510 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 1513 1542 CONECT 1513 1512 1514 1528 1541 CONECT 1514 1513 1515 1516 CONECT 1515 1514 CONECT 1516 1514 1517 1527 CONECT 1517 1516 1518 1521 1526 CONECT 1518 1517 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1517 1522 1524 1525 CONECT 1522 1521 1523 CONECT 1523 1522 CONECT 1524 1521 CONECT 1525 1521 CONECT 1526 1517 CONECT 1527 1516 CONECT 1528 1513 1529 1539 1540 CONECT 1529 1528 1530 1534 1538 CONECT 1530 1529 1531 1532 1533 CONECT 1531 1530 CONECT 1532 1530 CONECT 1533 1530 CONECT 1534 1529 1535 1536 1537 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1534 CONECT 1538 1529 CONECT 1539 1528 CONECT 1540 1528 CONECT 1541 1513 CONECT 1542 1512 CONECT 1543 1509 1544 1554 1555 CONECT 1544 1543 1545 1549 1553 CONECT 1545 1544 1546 1547 1548 CONECT 1546 1545 CONECT 1547 1545 CONECT 1548 1545 CONECT 1549 1544 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1544 CONECT 1554 1543 CONECT 1555 1543 CONECT 1556 1509 CONECT 1557 1508 CONECT 1558 1505 1559 1567 1568 CONECT 1559 1558 1560 1565 1566 CONECT 1560 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 1563 1564 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1559 CONECT 1566 1559 CONECT 1567 1558 CONECT 1568 1558 CONECT 1569 1505 CONECT 1570 1504 CONECT 1571 1501 1572 1574 1575 CONECT 1572 1571 1573 CONECT 1573 1572 CONECT 1574 1571 CONECT 1575 1571 CONECT 1576 1501 CONECT 1577 1500 CONECT 1578 1497 1579 1594 1595 CONECT 1579 1578 1580 1583 CONECT 1580 1579 1581 1593 CONECT 1581 1580 1582 1592 CONECT 1582 1581 1583 1587 CONECT 1583 1579 1582 1584 CONECT 1584 1583 1585 1591 CONECT 1585 1584 1586 1590 CONECT 1586 1585 1587 1589 CONECT 1587 1582 1586 1588 CONECT 1588 1587 CONECT 1589 1586 CONECT 1590 1585 CONECT 1591 1584 CONECT 1592 1581 CONECT 1593 1580 CONECT 1594 1578 CONECT 1595 1578 CONECT 1596 1497 CONECT 1597 1496 CONECT 1598 1493 1599 1614 1615 CONECT 1599 1598 1600 1603 CONECT 1600 1599 1601 1613 CONECT 1601 1600 1602 1612 CONECT 1602 1601 1603 1607 CONECT 1603 1599 1602 1604 CONECT 1604 1603 1605 1611 CONECT 1605 1604 1606 1610 CONECT 1606 1605 1607 1609 CONECT 1607 1602 1606 1608 CONECT 1608 1607 CONECT 1609 1606 CONECT 1610 1605 CONECT 1611 1604 CONECT 1612 1601 CONECT 1613 1600 CONECT 1614 1598 CONECT 1615 1598 CONECT 1616 1493 CONECT 1617 1492 CONECT 1618 1489 1619 1627 1628 CONECT 1619 1618 1620 1623 CONECT 1620 1619 1621 CONECT 1621 1620 1622 1626 CONECT 1622 1621 1623 1625 CONECT 1623 1619 1622 1624 CONECT 1624 1623 CONECT 1625 1622 CONECT 1626 1621 CONECT 1627 1618 CONECT 1628 1618 CONECT 1629 1489 CONECT 1630 1488 CONECT 1631 1485 1632 1638 1639 CONECT 1632 1631 1633 1636 1637 CONECT 1633 1632 1634 1635 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1632 CONECT 1637 1632 CONECT 1638 1631 CONECT 1639 1631 CONECT 1640 1485 CONECT 1641 1484 CONECT 1642 1481 1643 1654 1655 CONECT 1643 1642 1644 1648 CONECT 1644 1643 1645 1653 CONECT 1645 1644 1646 1652 CONECT 1646 1645 1647 1651 CONECT 1647 1646 1648 1650 CONECT 1648 1643 1647 1649 CONECT 1649 1648 CONECT 1650 1647 CONECT 1651 1646 CONECT 1652 1645 CONECT 1653 1644 CONECT 1654 1642 CONECT 1655 1642 CONECT 1656 1481 CONECT 1657 1480 CONECT 1658 1477 1659 1661 1665 CONECT 1659 1658 1660 CONECT 1660 1659 CONECT 1661 1658 1662 1663 1664 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1661 CONECT 1665 1658 CONECT 1666 1477 CONECT 1667 1476 CONECT 1668 1473 1669 1675 1676 CONECT 1669 1668 1670 1673 1674 CONECT 1670 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 CONECT 1673 1669 CONECT 1674 1669 CONECT 1675 1668 CONECT 1676 1668 CONECT 1677 1473 CONECT 1678 1472 CONECT 1679 1472 CONECT 1680 1472 MASTER 0 0 0 0 0 0 0 0 1679 1 213 7 END
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3jzq
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12aa, >3JZQ_2|Chains... *
Complexes with the same small molecule ligand
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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
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
3tpx
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
3jzs
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
1.78(Å)
Affinity (Kd/Ki/IC50)
IC50=8nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Biol.Chem. Vol. 285: pp. 2174-2183
Ligand Properties
Formula
C
7
4
H
1
0
0
N
1
7
O
2
1
Molecular Weight
1563.690
Exact Mass
1562.730
No. of atoms
212
No. of bonds
217
Polar Surface Area
623.68
LOGP Value
0.51 (
Computed with XLOGP3
)
1.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C)CC(C)C)CCC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)[NH3+])Cc1ccccc1)CCC(=O)O)Cc1nc[nH]c1
InChI String
InChI=1S/C74H99N17O21/c1-37(2)25-51(66(103)84-52(26-38(3)4)67(104)90-58(35-93)74(111)112)83-64(101)49(20-22-59(76)95)82-72(109)57(34-92)89-70(107)55(29-42-32-79-48-18-12-10-16-45(42)48)85-69(106)54(28-41-31-78-47-17-11-9-15-44(41)47)86-71(108)56(30-43-33-77-36-80-43)87-65(102)50(21-24-61(98)99)81-68(105)53(27-40-13-7-6-8-14-40)88-73(110)62(39(5)94)91-63(100)46(75)19-23-60(96)97/h6-18,31-33,36-39,46,49-58,62,78-79,92-94H,19-30,34-35,75H2,1-5H3,(H2,76,95)(H,77,80)(H,81,105)(H,82,109)(H,83,101)(H,84,103)(H,85,106)(H,86,108)(H,87,102)(H,88,110)(H,89,107)(H,90,104)(H,91,100)(H,96,97)(H,98,99)(H,111,112)/p+1/t39-,46+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,62+/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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