Browse entries in the PDBbind-CN Database
HEADER 3W69_COMPLEX COMPND 3W69_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 GLU THR LEU VAL ARG PRO LYS PRO GLU LEU LEU LYS LEU SEQRES 2 A 85 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET SEQRES 3 A 85 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR SEQRES 4 A 85 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR SEQRES 5 A 85 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SEQRES 6 A 85 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET SEQRES 7 A 85 ILE TYR ARG ASN LEU VAL VAL HET LTZ A 164 91 ATOM 1 N GLU A 25 -9.111 -6.230 6.536 1.00 45.62 N ATOM 2 CA GLU A 25 -8.586 -6.007 7.918 1.00 44.45 C ATOM 3 C GLU A 25 -9.677 -5.524 8.897 1.00 42.92 C ATOM 4 O GLU A 25 -10.575 -6.293 9.236 1.00 42.75 O ATOM 5 CB GLU A 25 -7.352 -5.095 7.884 1.00 45.63 C ATOM 6 CG GLU A 25 -7.270 -4.169 6.664 1.00 47.95 C ATOM 7 CD GLU A 25 -8.243 -3.022 6.769 1.00 52.78 C ATOM 8 OE1 GLU A 25 -9.283 -3.078 6.062 1.00 53.28 O ATOM 9 OE2 GLU A 25 -7.981 -2.094 7.588 1.00 52.13 O ATOM 10 HA GLU A 25 -8.263 -6.970 8.314 1.00 0.00 H ATOM 11 HB2 GLU A 25 -7.363 -4.475 8.780 1.00 0.00 H ATOM 12 HB3 GLU A 25 -6.463 -5.726 7.891 1.00 0.00 H ATOM 13 HG2 GLU A 25 -6.259 -3.769 6.591 1.00 0.00 H ATOM 14 HG3 GLU A 25 -7.498 -4.745 5.767 1.00 0.00 H ATOM 15 HN3 GLU A 25 -9.501 -5.339 6.167 1.00 0.00 H ATOM 16 HN2 GLU A 25 -9.859 -6.952 6.563 1.00 0.00 H ATOM 17 HN1 GLU A 25 -8.337 -6.553 5.921 1.00 0.00 H ATOM 18 N THR A 26 -9.600 -4.274 9.352 1.00 40.40 N ATOM 19 CA THR A 26 -10.579 -3.721 10.294 1.00 38.26 C ATOM 20 C THR A 26 -12.008 -3.735 9.734 1.00 36.31 C ATOM 21 O THR A 26 -12.217 -3.554 8.524 1.00 36.23 O ATOM 22 CB THR A 26 -10.202 -2.286 10.670 1.00 38.82 C ATOM 23 OG1 THR A 26 -8.806 -2.254 10.982 1.00 39.98 O ATOM 24 CG2 THR A 26 -11.015 -1.787 11.866 1.00 37.76 C ATOM 25 HA THR A 26 -10.559 -4.360 11.177 1.00 0.00 H ATOM 26 HB THR A 26 -10.423 -1.629 9.829 1.00 0.00 H ATOM 27 HG1 THR A 26 -8.545 -1.331 11.228 1.00 0.00 H ATOM 28 HG23 THR A 26 -12.076 -1.815 11.619 1.00 0.00 H ATOM 29 HG21 THR A 26 -10.824 -2.428 12.727 1.00 0.00 H ATOM 30 HG22 THR A 26 -10.722 -0.764 12.101 1.00 0.00 H ATOM 31 H THR A 26 -8.818 -3.669 9.028 1.00 0.00 H ATOM 32 N LEU A 27 -12.977 -3.951 10.619 1.00 33.29 N ATOM 33 CA LEU A 27 -14.371 -4.077 10.219 1.00 31.22 C ATOM 34 C LEU A 27 -15.154 -2.817 10.550 1.00 29.73 C ATOM 35 O LEU A 27 -14.969 -2.220 11.608 1.00 28.07 O ATOM 36 CB LEU A 27 -15.022 -5.294 10.890 1.00 30.94 C ATOM 37 CG LEU A 27 -14.479 -6.698 10.550 1.00 32.04 C ATOM 38 CD1 LEU A 27 -15.248 -7.767 11.356 1.00 33.06 C ATOM 39 CD2 LEU A 27 -14.536 -7.004 9.060 1.00 31.31 C ATOM 40 HA LEU A 27 -14.392 -4.219 9.139 1.00 0.00 H ATOM 41 HB2 LEU A 27 -14.920 -5.161 11.967 1.00 0.00 H ATOM 42 HB3 LEU A 27 -16.078 -5.283 10.622 1.00 0.00 H ATOM 43 HG LEU A 27 -13.426 -6.717 10.831 1.00 0.00 H ATOM 44 HD21 LEU A 27 -15.570 -6.953 8.719 1.00 0.00 H ATOM 45 HD22 LEU A 27 -13.937 -6.273 8.517 1.00 0.00 H ATOM 46 HD23 LEU A 27 -14.141 -8.004 8.880 1.00 0.00 H ATOM 47 HD11 LEU A 27 -15.119 -7.579 12.422 1.00 0.00 H ATOM 48 HD12 LEU A 27 -16.307 -7.719 11.103 1.00 0.00 H ATOM 49 HD13 LEU A 27 -14.859 -8.755 11.110 1.00 0.00 H ATOM 50 H LEU A 27 -12.732 -4.032 11.626 1.00 0.00 H ATOM 51 N VAL A 28 -16.025 -2.423 9.624 1.00 28.35 N ATOM 52 CA VAL A 28 -16.882 -1.265 9.811 1.00 27.65 C ATOM 53 C VAL A 28 -18.316 -1.760 9.813 1.00 27.91 C ATOM 54 O VAL A 28 -18.613 -2.812 9.228 1.00 27.31 O ATOM 55 CB VAL A 28 -16.639 -0.133 8.744 1.00 27.72 C ATOM 56 CG1 VAL A 28 -15.209 0.381 8.828 1.00 26.63 C ATOM 57 CG2 VAL A 28 -16.963 -0.599 7.295 1.00 24.55 C ATOM 58 HA VAL A 28 -16.645 -0.787 10.762 1.00 0.00 H ATOM 59 HB VAL A 28 -17.327 0.679 8.980 1.00 0.00 H ATOM 60 HG11 VAL A 28 -15.028 0.787 9.823 1.00 0.00 H ATOM 61 HG12 VAL A 28 -14.517 -0.440 8.638 1.00 0.00 H ATOM 62 HG13 VAL A 28 -15.061 1.163 8.083 1.00 0.00 H ATOM 63 HG21 VAL A 28 -16.328 -1.446 7.037 1.00 0.00 H ATOM 64 HG22 VAL A 28 -18.010 -0.897 7.236 1.00 0.00 H ATOM 65 HG23 VAL A 28 -16.778 0.221 6.601 1.00 0.00 H ATOM 66 H VAL A 28 -16.094 -2.962 8.737 1.00 0.00 H ATOM 67 N ARG A 29 -19.188 -1.009 10.478 1.00 28.00 N ATOM 68 CA ARG A 29 -20.585 -1.409 10.644 1.00 27.82 C ATOM 69 C ARG A 29 -21.535 -0.340 10.098 1.00 27.38 C ATOM 70 O ARG A 29 -21.801 0.660 10.766 1.00 27.12 O ATOM 71 CB ARG A 29 -20.887 -1.693 12.126 1.00 28.10 C ATOM 72 CG ARG A 29 -22.269 -2.320 12.373 1.00 27.36 C ATOM 73 CD ARG A 29 -22.520 -2.651 13.857 1.00 28.62 C ATOM 74 NE ARG A 29 -21.561 -3.640 14.377 1.00 31.53 N ATOM 75 CZ ARG A 29 -21.753 -4.959 14.409 1.00 32.53 C ATOM 76 NH1 ARG A 29 -22.870 -5.495 13.952 1.00 33.17 N ATOM 77 NH2 ARG A 29 -20.808 -5.747 14.900 1.00 33.28 N ATOM 78 HA ARG A 29 -20.746 -2.323 10.072 1.00 0.00 H ATOM 79 HB2 ARG A 29 -20.127 -2.376 12.506 1.00 0.00 H ATOM 80 HB3 ARG A 29 -20.834 -0.752 12.673 1.00 0.00 H ATOM 81 HG2 ARG A 29 -23.034 -1.619 12.038 1.00 0.00 H ATOM 82 HG3 ARG A 29 -22.342 -3.240 11.794 1.00 0.00 H ATOM 83 HD2 ARG A 29 -23.529 -3.051 13.962 1.00 0.00 H ATOM 84 HD3 ARG A 29 -22.431 -1.735 14.441 1.00 0.00 H ATOM 85 HE ARG A 29 -20.659 -3.280 14.750 1.00 0.00 H ATOM 86 HH12 ARG A 29 -23.003 -6.526 13.985 1.00 0.00 H ATOM 87 HH11 ARG A 29 -23.616 -4.886 13.560 1.00 0.00 H ATOM 88 HH22 ARG A 29 -20.952 -6.777 14.928 1.00 0.00 H ATOM 89 HH21 ARG A 29 -19.922 -5.336 15.258 1.00 0.00 H ATOM 90 H ARG A 29 -18.868 -0.111 10.892 1.00 0.00 H ATOM 91 N PRO A 30 -22.059 -0.554 8.872 1.00 27.38 N ATOM 92 CA PRO A 30 -22.967 0.399 8.238 1.00 27.14 C ATOM 93 C PRO A 30 -24.242 0.655 9.033 1.00 27.46 C ATOM 94 O PRO A 30 -24.771 -0.262 9.682 1.00 27.88 O ATOM 95 CB PRO A 30 -23.304 -0.280 6.904 1.00 26.58 C ATOM 96 CG PRO A 30 -22.158 -1.196 6.647 1.00 27.06 C ATOM 97 CD PRO A 30 -21.790 -1.712 8.000 1.00 27.54 C ATOM 98 HA PRO A 30 -22.506 1.382 8.147 1.00 0.00 H ATOM 99 HD3 PRO A 30 -22.409 -2.566 8.277 1.00 0.00 H ATOM 100 HD2 PRO A 30 -20.739 -1.999 8.039 1.00 0.00 H ATOM 101 HG3 PRO A 30 -21.324 -0.656 6.199 1.00 0.00 H ATOM 102 HG2 PRO A 30 -22.456 -2.013 5.989 1.00 0.00 H ATOM 103 HB2 PRO A 30 -24.235 -0.841 6.982 1.00 0.00 H ATOM 104 HB3 PRO A 30 -23.392 0.459 6.108 1.00 0.00 H ATOM 105 N LYS A 31 -24.714 1.901 8.996 1.00 27.22 N ATOM 106 CA LYS A 31 -26.046 2.239 9.475 1.00 27.02 C ATOM 107 C LYS A 31 -27.092 1.488 8.634 1.00 27.76 C ATOM 108 O LYS A 31 -26.790 1.048 7.528 1.00 27.49 O ATOM 109 CB LYS A 31 -26.262 3.737 9.370 1.00 26.56 C ATOM 110 CG LYS A 31 -25.601 4.508 10.469 1.00 24.15 C ATOM 111 CD LYS A 31 -25.640 5.994 10.149 1.00 22.51 C ATOM 112 CE LYS A 31 -25.118 6.780 11.351 1.00 22.68 C ATOM 113 NZ LYS A 31 -25.221 8.211 10.983 1.00 25.63 N ATOM 114 HA LYS A 31 -26.149 1.944 10.519 1.00 0.00 H ATOM 115 HB2 LYS A 31 -25.860 4.079 8.416 1.00 0.00 H ATOM 116 HB3 LYS A 31 -27.333 3.936 9.403 1.00 0.00 H ATOM 117 HG2 LYS A 31 -26.126 4.325 11.407 1.00 0.00 H ATOM 118 HG3 LYS A 31 -24.564 4.185 10.566 1.00 0.00 H ATOM 119 HD2 LYS A 31 -25.014 6.197 9.280 1.00 0.00 H ATOM 120 HD3 LYS A 31 -26.666 6.294 9.934 1.00 0.00 H ATOM 121 HE2 LYS A 31 -24.080 6.515 11.555 1.00 0.00 H ATOM 122 HE3 LYS A 31 -25.725 6.571 12.232 1.00 0.00 H ATOM 123 HZ1 LYS A 31 -24.644 8.392 10.137 1.00 0.00 H ATOM 124 HZ2 LYS A 31 -26.214 8.446 10.784 1.00 0.00 H ATOM 125 HZ3 LYS A 31 -24.876 8.796 11.771 1.00 0.00 H ATOM 126 H LYS A 31 -24.111 2.656 8.612 1.00 0.00 H ATOM 127 N PRO A 32 -28.317 1.325 9.156 1.00 28.72 N ATOM 128 CA PRO A 32 -29.348 0.627 8.383 1.00 28.85 C ATOM 129 C PRO A 32 -29.513 1.024 6.906 1.00 29.07 C ATOM 130 O PRO A 32 -29.531 0.145 6.053 1.00 28.63 O ATOM 131 CB PRO A 32 -30.634 0.908 9.186 1.00 29.19 C ATOM 132 CG PRO A 32 -30.145 0.988 10.601 1.00 29.30 C ATOM 133 CD PRO A 32 -28.817 1.723 10.492 1.00 28.88 C ATOM 134 HA PRO A 32 -29.075 -0.424 8.282 1.00 0.00 H ATOM 135 HD3 PRO A 32 -28.961 2.802 10.550 1.00 0.00 H ATOM 136 HD2 PRO A 32 -28.130 1.407 11.277 1.00 0.00 H ATOM 137 HG3 PRO A 32 -30.003 -0.009 11.019 1.00 0.00 H ATOM 138 HG2 PRO A 32 -30.846 1.545 11.222 1.00 0.00 H ATOM 139 HB2 PRO A 32 -31.091 1.848 8.876 1.00 0.00 H ATOM 140 HB3 PRO A 32 -31.354 0.099 9.066 1.00 0.00 H ATOM 141 N GLU A 33 -29.619 2.316 6.600 1.00 29.38 N ATOM 142 CA GLU A 33 -29.837 2.738 5.197 1.00 29.95 C ATOM 143 C GLU A 33 -28.686 2.332 4.242 1.00 29.28 C ATOM 144 O GLU A 33 -28.950 1.793 3.161 1.00 29.49 O ATOM 145 CB GLU A 33 -30.149 4.240 5.078 1.00 30.51 C ATOM 146 CG GLU A 33 -31.557 4.663 5.536 1.00 33.52 C ATOM 147 CD GLU A 33 -32.676 3.782 4.939 1.00 40.14 C ATOM 148 OE1 GLU A 33 -32.934 3.847 3.710 1.00 42.69 O ATOM 149 OE2 GLU A 33 -33.304 3.015 5.710 1.00 42.78 O ATOM 150 HA GLU A 33 -30.719 2.187 4.871 1.00 0.00 H ATOM 151 HB2 GLU A 33 -29.422 4.783 5.682 1.00 0.00 H ATOM 152 HB3 GLU A 33 -30.036 4.525 4.032 1.00 0.00 H ATOM 153 HG2 GLU A 33 -31.604 4.595 6.623 1.00 0.00 H ATOM 154 HG3 GLU A 33 -31.727 5.695 5.230 1.00 0.00 H ATOM 155 H GLU A 33 -29.548 3.033 7.350 1.00 0.00 H ATOM 156 N LEU A 34 -27.426 2.591 4.625 1.00 28.39 N ATOM 157 CA LEU A 34 -26.286 2.103 3.830 1.00 27.49 C ATOM 158 C LEU A 34 -26.286 0.573 3.735 1.00 27.44 C ATOM 159 O LEU A 34 -26.028 0.004 2.675 1.00 26.69 O ATOM 160 CB LEU A 34 -24.944 2.614 4.370 1.00 26.59 C ATOM 161 CG LEU A 34 -23.675 2.023 3.729 1.00 25.64 C ATOM 162 CD1 LEU A 34 -23.584 2.387 2.230 1.00 23.89 C ATOM 163 CD2 LEU A 34 -22.468 2.487 4.489 1.00 22.56 C ATOM 164 HA LEU A 34 -26.408 2.507 2.825 1.00 0.00 H ATOM 165 HB2 LEU A 34 -24.917 3.694 4.223 1.00 0.00 H ATOM 166 HB3 LEU A 34 -24.910 2.393 5.437 1.00 0.00 H ATOM 167 HG LEU A 34 -23.721 0.935 3.784 1.00 0.00 H ATOM 168 HD21 LEU A 34 -22.418 3.575 4.459 1.00 0.00 H ATOM 169 HD22 LEU A 34 -22.542 2.154 5.524 1.00 0.00 H ATOM 170 HD23 LEU A 34 -21.571 2.068 4.034 1.00 0.00 H ATOM 171 HD11 LEU A 34 -24.455 1.991 1.708 1.00 0.00 H ATOM 172 HD12 LEU A 34 -23.556 3.471 2.122 1.00 0.00 H ATOM 173 HD13 LEU A 34 -22.677 1.955 1.807 1.00 0.00 H ATOM 174 H LEU A 34 -27.253 3.141 5.491 1.00 0.00 H ATOM 175 N LEU A 35 -26.583 -0.095 4.843 1.00 27.99 N ATOM 176 CA LEU A 35 -26.680 -1.549 4.811 1.00 29.28 C ATOM 177 C LEU A 35 -27.699 -1.993 3.753 1.00 29.95 C ATOM 178 O LEU A 35 -27.467 -2.947 3.017 1.00 29.70 O ATOM 179 CB LEU A 35 -27.048 -2.105 6.186 1.00 28.88 C ATOM 180 CG LEU A 35 -26.934 -3.620 6.286 1.00 30.10 C ATOM 181 CD1 LEU A 35 -25.473 -4.037 6.192 1.00 28.74 C ATOM 182 CD2 LEU A 35 -27.560 -4.112 7.574 1.00 31.57 C ATOM 183 HA LEU A 35 -25.703 -1.950 4.540 1.00 0.00 H ATOM 184 HB2 LEU A 35 -26.383 -1.660 6.926 1.00 0.00 H ATOM 185 HB3 LEU A 35 -28.077 -1.822 6.407 1.00 0.00 H ATOM 186 HG LEU A 35 -27.475 -4.075 5.456 1.00 0.00 H ATOM 187 HD21 LEU A 35 -27.046 -3.660 8.422 1.00 0.00 H ATOM 188 HD22 LEU A 35 -28.613 -3.832 7.595 1.00 0.00 H ATOM 189 HD23 LEU A 35 -27.470 -5.197 7.629 1.00 0.00 H ATOM 190 HD11 LEU A 35 -25.063 -3.707 5.237 1.00 0.00 H ATOM 191 HD12 LEU A 35 -24.913 -3.579 7.007 1.00 0.00 H ATOM 192 HD13 LEU A 35 -25.401 -5.122 6.264 1.00 0.00 H ATOM 193 H LEU A 35 -26.746 0.418 5.733 1.00 0.00 H ATOM 194 N LYS A 36 -28.811 -1.271 3.670 1.00 31.34 N ATOM 195 CA LYS A 36 -29.853 -1.538 2.669 1.00 32.69 C ATOM 196 C LYS A 36 -29.267 -1.459 1.258 1.00 31.71 C ATOM 197 O LYS A 36 -29.432 -2.365 0.440 1.00 31.41 O ATOM 198 CB LYS A 36 -30.994 -0.524 2.828 1.00 32.78 C ATOM 199 CG LYS A 36 -32.203 -0.830 1.970 1.00 35.38 C ATOM 200 CD LYS A 36 -33.251 0.279 2.025 1.00 36.54 C ATOM 201 CE LYS A 36 -34.209 0.084 3.201 1.00 42.38 C ATOM 202 NZ LYS A 36 -33.843 0.859 4.446 1.00 46.09 N ATOM 203 HA LYS A 36 -30.245 -2.543 2.824 1.00 0.00 H ATOM 204 HB2 LYS A 36 -31.306 -0.517 3.872 1.00 0.00 H ATOM 205 HB3 LYS A 36 -30.619 0.462 2.555 1.00 0.00 H ATOM 206 HG2 LYS A 36 -31.877 -0.954 0.937 1.00 0.00 H ATOM 207 HG3 LYS A 36 -32.656 -1.758 2.320 1.00 0.00 H ATOM 208 HD2 LYS A 36 -32.746 1.239 2.134 1.00 0.00 H ATOM 209 HD3 LYS A 36 -33.823 0.273 1.097 1.00 0.00 H ATOM 210 HE2 LYS A 36 -34.227 -0.976 3.453 1.00 0.00 H ATOM 211 HE3 LYS A 36 -35.204 0.398 2.885 1.00 0.00 H ATOM 212 HZ1 LYS A 36 -32.901 0.564 4.772 1.00 0.00 H ATOM 213 HZ2 LYS A 36 -33.834 1.876 4.229 1.00 0.00 H ATOM 214 HZ3 LYS A 36 -34.544 0.668 5.190 1.00 0.00 H ATOM 215 H LYS A 36 -28.949 -0.487 4.339 1.00 0.00 H ATOM 216 N LEU A 37 -28.579 -0.360 0.979 1.00 30.78 N ATOM 217 CA LEU A 37 -27.918 -0.184 -0.291 1.00 30.03 C ATOM 218 C LEU A 37 -26.935 -1.323 -0.594 1.00 29.51 C ATOM 219 O LEU A 37 -26.980 -1.885 -1.692 1.00 29.96 O ATOM 220 CB LEU A 37 -27.287 1.209 -0.334 1.00 29.86 C ATOM 221 CG LEU A 37 -26.124 1.766 -1.158 1.00 30.13 C ATOM 222 CD1 LEU A 37 -25.371 0.825 -2.097 1.00 29.94 C ATOM 223 CD2 LEU A 37 -26.590 3.070 -1.832 1.00 29.48 C ATOM 224 HA LEU A 37 -28.650 -0.241 -1.097 1.00 0.00 H ATOM 225 HB2 LEU A 37 -28.121 1.864 -0.586 1.00 0.00 H ATOM 226 HB3 LEU A 37 -26.984 1.389 0.697 1.00 0.00 H ATOM 227 HG LEU A 37 -25.326 1.952 -0.439 1.00 0.00 H ATOM 228 HD21 LEU A 37 -27.441 2.859 -2.480 1.00 0.00 H ATOM 229 HD22 LEU A 37 -26.884 3.788 -1.067 1.00 0.00 H ATOM 230 HD23 LEU A 37 -25.774 3.483 -2.425 1.00 0.00 H ATOM 231 HD11 LEU A 37 -24.935 0.010 -1.520 1.00 0.00 H ATOM 232 HD12 LEU A 37 -26.063 0.420 -2.835 1.00 0.00 H ATOM 233 HD13 LEU A 37 -24.579 1.377 -2.604 1.00 0.00 H ATOM 234 H LEU A 37 -28.514 0.393 1.693 1.00 0.00 H ATOM 235 N LEU A 38 -26.079 -1.690 0.363 1.00 28.66 N ATOM 236 CA LEU A 38 -25.116 -2.756 0.118 1.00 28.80 C ATOM 237 C LEU A 38 -25.820 -4.076 -0.187 1.00 29.30 C ATOM 238 O LEU A 38 -25.353 -4.839 -1.037 1.00 28.58 O ATOM 239 CB LEU A 38 -24.167 -2.942 1.300 1.00 29.16 C ATOM 240 CG LEU A 38 -23.283 -1.731 1.647 1.00 30.41 C ATOM 241 CD1 LEU A 38 -22.348 -2.051 2.806 1.00 30.68 C ATOM 242 CD2 LEU A 38 -22.498 -1.244 0.419 1.00 29.49 C ATOM 243 HA LEU A 38 -24.530 -2.458 -0.751 1.00 0.00 H ATOM 244 HB2 LEU A 38 -24.768 -3.180 2.178 1.00 0.00 H ATOM 245 HB3 LEU A 38 -23.510 -3.782 1.073 1.00 0.00 H ATOM 246 HG LEU A 38 -23.939 -0.920 1.962 1.00 0.00 H ATOM 247 HD21 LEU A 38 -21.859 -2.049 0.056 1.00 0.00 H ATOM 248 HD22 LEU A 38 -23.197 -0.951 -0.365 1.00 0.00 H ATOM 249 HD23 LEU A 38 -21.884 -0.388 0.698 1.00 0.00 H ATOM 250 HD11 LEU A 38 -22.937 -2.317 3.684 1.00 0.00 H ATOM 251 HD12 LEU A 38 -21.704 -2.887 2.532 1.00 0.00 H ATOM 252 HD13 LEU A 38 -21.736 -1.177 3.029 1.00 0.00 H ATOM 253 H LEU A 38 -26.100 -1.213 1.287 1.00 0.00 H ATOM 254 N LYS A 39 -26.939 -4.338 0.507 1.00 29.78 N ATOM 255 CA LYS A 39 -27.641 -5.616 0.340 1.00 31.03 C ATOM 256 C LYS A 39 -28.359 -5.684 -1.000 1.00 31.20 C ATOM 257 O LYS A 39 -28.522 -6.772 -1.555 1.00 32.13 O ATOM 258 CB LYS A 39 -28.610 -5.886 1.495 1.00 31.28 C ATOM 259 CG LYS A 39 -27.922 -6.056 2.852 1.00 32.85 C ATOM 260 CD LYS A 39 -28.155 -7.422 3.478 1.00 36.41 C ATOM 261 CE LYS A 39 -27.826 -7.400 4.962 1.00 37.45 C ATOM 262 NZ LYS A 39 -28.460 -8.521 5.708 1.00 38.86 N ATOM 263 HA LYS A 39 -26.885 -6.401 0.355 1.00 0.00 H ATOM 264 HB2 LYS A 39 -29.305 -5.049 1.564 1.00 0.00 H ATOM 265 HB3 LYS A 39 -29.164 -6.798 1.273 1.00 0.00 H ATOM 266 HG2 LYS A 39 -26.850 -5.916 2.716 1.00 0.00 H ATOM 267 HG3 LYS A 39 -28.304 -5.294 3.532 1.00 0.00 H ATOM 268 HD2 LYS A 39 -29.201 -7.701 3.348 1.00 0.00 H ATOM 269 HD3 LYS A 39 -27.520 -8.156 2.982 1.00 0.00 H ATOM 270 HE2 LYS A 39 -28.177 -6.458 5.383 1.00 0.00 H ATOM 271 HE3 LYS A 39 -26.745 -7.469 5.081 1.00 0.00 H ATOM 272 HZ1 LYS A 39 -29.494 -8.461 5.609 1.00 0.00 H ATOM 273 HZ2 LYS A 39 -28.126 -9.426 5.321 1.00 0.00 H ATOM 274 HZ3 LYS A 39 -28.202 -8.456 6.713 1.00 0.00 H ATOM 275 H LYS A 39 -27.312 -3.628 1.169 1.00 0.00 H ATOM 276 N SER A 40 -28.743 -4.527 -1.540 1.00 30.70 N ATOM 277 CA SER A 40 -29.417 -4.470 -2.839 1.00 30.46 C ATOM 278 C SER A 40 -28.483 -4.874 -3.975 1.00 30.39 C ATOM 279 O SER A 40 -28.935 -5.165 -5.073 1.00 30.39 O ATOM 280 CB SER A 40 -29.945 -3.063 -3.110 1.00 30.57 C ATOM 281 OG SER A 40 -28.901 -2.200 -3.571 1.00 28.70 O ATOM 282 HA SER A 40 -30.247 -5.175 -2.799 1.00 0.00 H ATOM 283 HB2 SER A 40 -30.363 -2.656 -2.189 1.00 0.00 H ATOM 284 HB3 SER A 40 -30.725 -3.116 -3.870 1.00 0.00 H ATOM 285 HG SER A 40 -28.192 -2.145 -2.883 1.00 0.00 H ATOM 286 H SER A 40 -28.559 -3.642 -1.025 1.00 0.00 H ATOM 287 N VAL A 41 -27.176 -4.855 -3.729 1.00 29.87 N ATOM 288 CA VAL A 41 -26.218 -5.423 -4.691 1.00 29.48 C ATOM 289 C VAL A 41 -25.575 -6.716 -4.182 1.00 30.52 C ATOM 290 O VAL A 41 -24.459 -7.061 -4.571 1.00 30.17 O ATOM 291 CB VAL A 41 -25.124 -4.386 -5.161 1.00 29.78 C ATOM 292 CG1 VAL A 41 -25.687 -3.453 -6.221 1.00 27.80 C ATOM 293 CG2 VAL A 41 -24.552 -3.610 -3.982 1.00 26.64 C ATOM 294 HA VAL A 41 -26.809 -5.677 -5.571 1.00 0.00 H ATOM 295 HB VAL A 41 -24.302 -4.944 -5.609 1.00 0.00 H ATOM 296 HG11 VAL A 41 -26.012 -4.037 -7.082 1.00 0.00 H ATOM 297 HG12 VAL A 41 -26.536 -2.907 -5.809 1.00 0.00 H ATOM 298 HG13 VAL A 41 -24.915 -2.748 -6.529 1.00 0.00 H ATOM 299 HG21 VAL A 41 -25.354 -3.066 -3.483 1.00 0.00 H ATOM 300 HG22 VAL A 41 -24.092 -4.305 -3.280 1.00 0.00 H ATOM 301 HG23 VAL A 41 -23.802 -2.905 -4.342 1.00 0.00 H ATOM 302 H VAL A 41 -26.826 -4.433 -2.845 1.00 0.00 H ATOM 303 N GLY A 42 -26.270 -7.421 -3.294 1.00 31.26 N ATOM 304 CA GLY A 42 -25.883 -8.782 -2.943 1.00 32.19 C ATOM 305 C GLY A 42 -25.065 -9.003 -1.690 1.00 33.26 C ATOM 306 O GLY A 42 -24.617 -10.124 -1.447 1.00 33.33 O ATOM 307 HA3 GLY A 42 -25.305 -9.177 -3.778 1.00 0.00 H ATOM 308 HA2 GLY A 42 -26.801 -9.359 -2.833 1.00 0.00 H ATOM 309 H GLY A 42 -27.104 -6.994 -2.842 1.00 0.00 H ATOM 310 N ALA A 43 -24.853 -7.948 -0.898 1.00 33.57 N ATOM 311 CA ALA A 43 -24.154 -8.081 0.367 1.00 34.47 C ATOM 312 C ALA A 43 -25.033 -8.811 1.373 1.00 35.63 C ATOM 313 O ALA A 43 -26.255 -8.633 1.378 1.00 35.97 O ATOM 314 CB ALA A 43 -23.770 -6.725 0.905 1.00 33.76 C ATOM 315 HA ALA A 43 -23.245 -8.659 0.202 1.00 0.00 H ATOM 316 HB1 ALA A 43 -23.117 -6.224 0.191 1.00 0.00 H ATOM 317 HB2 ALA A 43 -24.669 -6.128 1.058 1.00 0.00 H ATOM 318 HB3 ALA A 43 -23.247 -6.847 1.854 1.00 0.00 H ATOM 319 H ALA A 43 -25.196 -7.012 -1.194 1.00 0.00 H ATOM 320 N GLN A 44 -24.414 -9.618 2.234 1.00 37.58 N ATOM 321 CA GLN A 44 -25.179 -10.369 3.238 1.00 39.26 C ATOM 322 C GLN A 44 -24.575 -10.467 4.645 1.00 39.13 C ATOM 323 O GLN A 44 -24.887 -11.389 5.403 1.00 39.43 O ATOM 324 CB GLN A 44 -25.652 -11.740 2.704 1.00 39.36 C ATOM 325 CG GLN A 44 -24.755 -12.424 1.662 1.00 41.02 C ATOM 326 CD GLN A 44 -25.464 -13.606 0.959 1.00 41.26 C ATOM 327 OE1 GLN A 44 -26.696 -13.731 1.010 1.00 41.99 O ATOM 328 NE2 GLN A 44 -24.682 -14.466 0.296 1.00 41.95 N ATOM 329 HA GLN A 44 -26.053 -9.738 3.399 1.00 0.00 H ATOM 330 HB2 GLN A 44 -25.740 -12.414 3.556 1.00 0.00 H ATOM 331 HB3 GLN A 44 -26.633 -11.597 2.252 1.00 0.00 H ATOM 332 HG2 GLN A 44 -24.469 -11.689 0.909 1.00 0.00 H ATOM 333 HG3 GLN A 44 -23.861 -12.798 2.161 1.00 0.00 H ATOM 334 HE22 GLN A 44 -23.652 -14.325 0.278 1.00 0.00 H ATOM 335 HE21 GLN A 44 -25.104 -15.276 -0.201 1.00 0.00 H ATOM 336 H GLN A 44 -23.379 -9.717 2.195 1.00 0.00 H ATOM 337 N LYS A 45 -23.758 -9.484 5.015 1.00 38.85 N ATOM 338 CA LYS A 45 -23.281 -9.393 6.397 1.00 38.24 C ATOM 339 C LYS A 45 -23.698 -8.081 7.039 1.00 37.34 C ATOM 340 O LYS A 45 -24.294 -7.214 6.387 1.00 37.07 O ATOM 341 CB LYS A 45 -21.760 -9.490 6.487 1.00 38.80 C ATOM 342 CG LYS A 45 -21.055 -10.107 5.316 1.00 40.20 C ATOM 343 CD LYS A 45 -19.755 -10.693 5.792 1.00 43.14 C ATOM 344 CE LYS A 45 -18.695 -10.658 4.709 1.00 44.86 C ATOM 345 NZ LYS A 45 -18.070 -9.322 4.639 1.00 44.91 N ATOM 346 HA LYS A 45 -23.732 -10.234 6.923 1.00 0.00 H ATOM 347 HB2 LYS A 45 -21.371 -8.480 6.612 1.00 0.00 H ATOM 348 HB3 LYS A 45 -21.518 -10.083 7.369 1.00 0.00 H ATOM 349 HG2 LYS A 45 -21.676 -10.892 4.885 1.00 0.00 H ATOM 350 HG3 LYS A 45 -20.860 -9.345 4.561 1.00 0.00 H ATOM 351 HD2 LYS A 45 -19.403 -10.121 6.650 1.00 0.00 H ATOM 352 HD3 LYS A 45 -19.922 -11.728 6.090 1.00 0.00 H ATOM 353 HE2 LYS A 45 -19.155 -10.890 3.749 1.00 0.00 H ATOM 354 HE3 LYS A 45 -17.929 -11.401 4.932 1.00 0.00 H ATOM 355 HZ1 LYS A 45 -18.798 -8.611 4.423 1.00 0.00 H ATOM 356 HZ2 LYS A 45 -17.627 -9.100 5.553 1.00 0.00 H ATOM 357 HZ3 LYS A 45 -17.347 -9.318 3.892 1.00 0.00 H ATOM 358 H LYS A 45 -23.456 -8.775 4.317 1.00 0.00 H ATOM 359 N ASP A 46 -23.362 -7.953 8.323 1.00 36.04 N ATOM 360 CA ASP A 46 -23.562 -6.730 9.079 1.00 34.62 C ATOM 361 C ASP A 46 -22.304 -5.871 9.123 1.00 32.93 C ATOM 362 O ASP A 46 -22.397 -4.670 9.380 1.00 31.87 O ATOM 363 CB ASP A 46 -23.975 -7.051 10.521 1.00 35.79 C ATOM 364 CG ASP A 46 -25.401 -7.563 10.626 1.00 37.92 C ATOM 365 OD1 ASP A 46 -25.680 -8.302 11.588 1.00 41.80 O ATOM 366 OD2 ASP A 46 -26.244 -7.237 9.766 1.00 41.28 O ATOM 367 HA ASP A 46 -24.350 -6.176 8.570 1.00 0.00 H ATOM 368 HB2 ASP A 46 -23.302 -7.812 10.915 1.00 0.00 H ATOM 369 HB3 ASP A 46 -23.886 -6.144 11.119 1.00 0.00 H ATOM 370 H ASP A 46 -22.936 -8.769 8.806 1.00 0.00 H ATOM 371 N THR A 47 -21.143 -6.498 8.921 1.00 31.05 N ATOM 372 CA THR A 47 -19.841 -5.834 9.054 1.00 30.18 C ATOM 373 C THR A 47 -19.000 -6.149 7.836 1.00 29.39 C ATOM 374 O THR A 47 -19.123 -7.225 7.254 1.00 28.74 O ATOM 375 CB THR A 47 -19.042 -6.295 10.311 1.00 30.15 C ATOM 376 OG1 THR A 47 -18.901 -7.717 10.282 1.00 29.15 O ATOM 377 CG2 THR A 47 -19.749 -5.894 11.593 1.00 30.84 C ATOM 378 HA THR A 47 -20.043 -4.767 9.154 1.00 0.00 H ATOM 379 HB THR A 47 -18.065 -5.812 10.291 1.00 0.00 H ATOM 380 HG1 THR A 47 -18.414 -7.983 9.462 1.00 0.00 H ATOM 381 HG23 THR A 47 -19.860 -4.810 11.622 1.00 0.00 H ATOM 382 HG21 THR A 47 -20.733 -6.362 11.626 1.00 0.00 H ATOM 383 HG22 THR A 47 -19.160 -6.223 12.449 1.00 0.00 H ATOM 384 H THR A 47 -21.162 -7.504 8.657 1.00 0.00 H ATOM 385 N TYR A 48 -18.126 -5.213 7.475 1.00 28.24 N ATOM 386 CA TYR A 48 -17.427 -5.242 6.210 1.00 27.81 C ATOM 387 C TYR A 48 -16.094 -4.572 6.392 1.00 27.33 C ATOM 388 O TYR A 48 -15.929 -3.731 7.284 1.00 26.36 O ATOM 389 CB TYR A 48 -18.226 -4.455 5.148 1.00 28.25 C ATOM 390 CG TYR A 48 -19.594 -5.031 4.857 1.00 28.77 C ATOM 391 CD1 TYR A 48 -20.713 -4.624 5.577 1.00 29.91 C ATOM 392 CD2 TYR A 48 -19.758 -5.998 3.868 1.00 29.31 C ATOM 393 CE1 TYR A 48 -21.977 -5.169 5.309 1.00 30.56 C ATOM 394 CE2 TYR A 48 -21.001 -6.553 3.599 1.00 28.98 C ATOM 395 CZ TYR A 48 -22.099 -6.142 4.323 1.00 29.69 C ATOM 396 OH TYR A 48 -23.333 -6.701 4.056 1.00 30.33 O ATOM 397 HA TYR A 48 -17.306 -6.275 5.883 1.00 0.00 H ATOM 398 HB3 TYR A 48 -17.652 -4.449 4.221 1.00 0.00 H ATOM 399 HB2 TYR A 48 -18.353 -3.432 5.502 1.00 0.00 H ATOM 400 HD2 TYR A 48 -18.892 -6.326 3.293 1.00 0.00 H ATOM 401 HE2 TYR A 48 -21.108 -7.309 2.821 1.00 0.00 H ATOM 402 HE1 TYR A 48 -22.852 -4.834 5.866 1.00 0.00 H ATOM 403 HD1 TYR A 48 -20.606 -3.872 6.359 1.00 0.00 H ATOM 404 HH TYR A 48 -24.012 -6.302 4.657 1.00 0.00 H ATOM 405 H TYR A 48 -17.938 -4.428 8.130 1.00 0.00 H ATOM 406 N THR A 49 -15.134 -4.955 5.564 1.00 26.72 N ATOM 407 CA THR A 49 -13.934 -4.152 5.408 1.00 26.08 C ATOM 408 C THR A 49 -14.303 -2.958 4.506 1.00 25.70 C ATOM 409 O THR A 49 -15.329 -2.991 3.779 1.00 25.28 O ATOM 410 CB THR A 49 -12.781 -4.934 4.756 1.00 26.83 C ATOM 411 OG1 THR A 49 -13.144 -5.278 3.415 1.00 28.60 O ATOM 412 CG2 THR A 49 -12.383 -6.188 5.564 1.00 24.88 C ATOM 413 HA THR A 49 -13.589 -3.839 6.393 1.00 0.00 H ATOM 414 HB THR A 49 -11.901 -4.291 4.744 1.00 0.00 H ATOM 415 HG1 THR A 49 -12.404 -5.782 2.993 1.00 0.00 H ATOM 416 HG23 THR A 49 -12.113 -5.894 6.578 1.00 0.00 H ATOM 417 HG21 THR A 49 -13.225 -6.880 5.597 1.00 0.00 H ATOM 418 HG22 THR A 49 -11.532 -6.672 5.085 1.00 0.00 H ATOM 419 H THR A 49 -15.240 -5.836 5.022 1.00 0.00 H ATOM 420 N MET A 50 -13.487 -1.910 4.559 1.00 24.62 N ATOM 421 CA MET A 50 -13.693 -0.725 3.728 1.00 24.78 C ATOM 422 C MET A 50 -13.612 -1.091 2.252 1.00 25.53 C ATOM 423 O MET A 50 -14.346 -0.540 1.401 1.00 24.36 O ATOM 424 CB MET A 50 -12.679 0.362 4.073 1.00 23.71 C ATOM 425 CG MET A 50 -13.024 1.147 5.306 1.00 23.39 C ATOM 426 SD MET A 50 -14.596 2.086 5.192 1.00 25.45 S ATOM 427 CE MET A 50 -14.132 3.459 4.132 1.00 27.73 C ATOM 428 HA MET A 50 -14.689 -0.332 3.931 1.00 0.00 H ATOM 429 HB2 MET A 50 -11.709 -0.110 4.227 1.00 0.00 H ATOM 430 HB3 MET A 50 -12.617 1.053 3.232 1.00 0.00 H ATOM 431 HG2 MET A 50 -12.217 1.855 5.497 1.00 0.00 H ATOM 432 HG3 MET A 50 -13.102 0.452 6.142 1.00 0.00 H ATOM 433 HE1 MET A 50 -13.328 4.025 4.603 1.00 0.00 H ATOM 434 HE2 MET A 50 -13.792 3.075 3.170 1.00 0.00 H ATOM 435 HE3 MET A 50 -14.995 4.108 3.981 1.00 0.00 H ATOM 436 H MET A 50 -12.677 -1.934 5.211 1.00 0.00 H ATOM 437 N LYS A 51 -12.693 -2.014 1.957 1.00 26.27 N ATOM 438 CA LYS A 51 -12.513 -2.575 0.623 1.00 26.90 C ATOM 439 C LYS A 51 -13.801 -3.232 0.097 1.00 26.09 C ATOM 440 O LYS A 51 -14.216 -2.987 -1.035 1.00 26.03 O ATOM 441 CB LYS A 51 -11.362 -3.584 0.661 1.00 27.70 C ATOM 442 CG LYS A 51 -10.626 -3.737 -0.657 1.00 33.71 C ATOM 443 CD LYS A 51 -9.629 -4.889 -0.604 1.00 38.62 C ATOM 444 CE LYS A 51 -8.876 -5.006 -1.931 1.00 43.35 C ATOM 445 NZ LYS A 51 -9.811 -5.225 -3.081 1.00 46.36 N ATOM 446 HA LYS A 51 -12.272 -1.766 -0.067 1.00 0.00 H ATOM 447 HB2 LYS A 51 -10.647 -3.259 1.417 1.00 0.00 H ATOM 448 HB3 LYS A 51 -11.768 -4.556 0.941 1.00 0.00 H ATOM 449 HG2 LYS A 51 -11.350 -3.930 -1.448 1.00 0.00 H ATOM 450 HG3 LYS A 51 -10.090 -2.813 -0.874 1.00 0.00 H ATOM 451 HD2 LYS A 51 -8.915 -4.709 0.200 1.00 0.00 H ATOM 452 HD3 LYS A 51 -10.164 -5.819 -0.412 1.00 0.00 H ATOM 453 HE2 LYS A 51 -8.185 -5.847 -1.872 1.00 0.00 H ATOM 454 HE3 LYS A 51 -8.315 -4.087 -2.101 1.00 0.00 H ATOM 455 HZ1 LYS A 51 -10.346 -6.104 -2.929 1.00 0.00 H ATOM 456 HZ2 LYS A 51 -10.470 -4.424 -3.148 1.00 0.00 H ATOM 457 HZ3 LYS A 51 -9.263 -5.299 -3.962 1.00 0.00 H ATOM 458 H LYS A 51 -12.072 -2.351 2.720 1.00 0.00 H ATOM 459 N GLU A 52 -14.446 -4.057 0.922 1.00 25.71 N ATOM 460 CA GLU A 52 -15.744 -4.625 0.547 1.00 24.84 C ATOM 461 C GLU A 52 -16.823 -3.561 0.363 1.00 24.24 C ATOM 462 O GLU A 52 -17.631 -3.658 -0.563 1.00 25.23 O ATOM 463 CB GLU A 52 -16.217 -5.649 1.574 1.00 24.86 C ATOM 464 CG GLU A 52 -15.223 -6.761 1.783 1.00 26.34 C ATOM 465 CD GLU A 52 -15.571 -7.648 2.961 1.00 28.01 C ATOM 466 OE1 GLU A 52 -16.156 -7.208 3.988 1.00 25.90 O ATOM 467 OE2 GLU A 52 -15.236 -8.830 2.853 1.00 33.81 O ATOM 468 HA GLU A 52 -15.588 -5.116 -0.414 1.00 0.00 H ATOM 469 HB2 GLU A 52 -16.378 -5.141 2.525 1.00 0.00 H ATOM 470 HB3 GLU A 52 -17.157 -6.081 1.230 1.00 0.00 H ATOM 471 HG2 GLU A 52 -15.192 -7.374 0.882 1.00 0.00 H ATOM 472 HG3 GLU A 52 -14.240 -6.322 1.956 1.00 0.00 H ATOM 473 H GLU A 52 -14.024 -4.300 1.841 1.00 0.00 H ATOM 474 N VAL A 53 -16.868 -2.564 1.234 1.00 23.46 N ATOM 475 CA VAL A 53 -17.885 -1.482 1.077 1.00 22.38 C ATOM 476 C VAL A 53 -17.727 -0.796 -0.290 1.00 22.72 C ATOM 477 O VAL A 53 -18.695 -0.603 -1.016 1.00 22.85 O ATOM 478 CB VAL A 53 -17.793 -0.404 2.183 1.00 22.15 C ATOM 479 CG1 VAL A 53 -18.840 0.706 1.956 1.00 20.87 C ATOM 480 CG2 VAL A 53 -17.986 -1.000 3.579 1.00 20.57 C ATOM 481 HA VAL A 53 -18.859 -1.965 1.157 1.00 0.00 H ATOM 482 HB VAL A 53 -16.791 0.021 2.125 1.00 0.00 H ATOM 483 HG11 VAL A 53 -18.664 1.178 0.989 1.00 0.00 H ATOM 484 HG12 VAL A 53 -19.839 0.270 1.972 1.00 0.00 H ATOM 485 HG13 VAL A 53 -18.755 1.451 2.747 1.00 0.00 H ATOM 486 HG21 VAL A 53 -18.968 -1.469 3.640 1.00 0.00 H ATOM 487 HG22 VAL A 53 -17.213 -1.746 3.764 1.00 0.00 H ATOM 488 HG23 VAL A 53 -17.914 -0.208 4.324 1.00 0.00 H ATOM 489 H VAL A 53 -16.195 -2.535 2.027 1.00 0.00 H ATOM 490 N LEU A 54 -16.488 -0.449 -0.632 1.00 23.04 N ATOM 491 CA LEU A 54 -16.170 0.189 -1.900 1.00 23.49 C ATOM 492 C LEU A 54 -16.437 -0.717 -3.095 1.00 24.21 C ATOM 493 O LEU A 54 -16.843 -0.241 -4.151 1.00 23.96 O ATOM 494 CB LEU A 54 -14.723 0.673 -1.901 1.00 23.74 C ATOM 495 CG LEU A 54 -14.443 1.890 -0.998 1.00 24.61 C ATOM 496 CD1 LEU A 54 -12.957 1.932 -0.667 1.00 27.16 C ATOM 497 CD2 LEU A 54 -14.937 3.210 -1.617 1.00 23.35 C ATOM 498 HA LEU A 54 -16.834 1.047 -2.004 1.00 0.00 H ATOM 499 HB2 LEU A 54 -14.091 -0.149 -1.566 1.00 0.00 H ATOM 500 HB3 LEU A 54 -14.457 0.942 -2.923 1.00 0.00 H ATOM 501 HG LEU A 54 -15.010 1.776 -0.074 1.00 0.00 H ATOM 502 HD21 LEU A 54 -14.432 3.375 -2.569 1.00 0.00 H ATOM 503 HD22 LEU A 54 -16.013 3.153 -1.780 1.00 0.00 H ATOM 504 HD23 LEU A 54 -14.714 4.034 -0.939 1.00 0.00 H ATOM 505 HD11 LEU A 54 -12.676 1.016 -0.147 1.00 0.00 H ATOM 506 HD12 LEU A 54 -12.383 2.019 -1.589 1.00 0.00 H ATOM 507 HD13 LEU A 54 -12.753 2.791 -0.028 1.00 0.00 H ATOM 508 H LEU A 54 -15.715 -0.642 0.036 1.00 0.00 H ATOM 509 N PHE A 55 -16.241 -2.024 -2.923 1.00 24.10 N ATOM 510 CA PHE A 55 -16.609 -2.961 -3.987 1.00 24.17 C ATOM 511 C PHE A 55 -18.111 -2.862 -4.304 1.00 24.00 C ATOM 512 O PHE A 55 -18.515 -2.694 -5.465 1.00 23.92 O ATOM 513 CB PHE A 55 -16.216 -4.401 -3.622 1.00 23.76 C ATOM 514 CG PHE A 55 -16.731 -5.412 -4.586 1.00 24.76 C ATOM 515 CD1 PHE A 55 -16.034 -5.707 -5.751 1.00 24.85 C ATOM 516 CD2 PHE A 55 -17.927 -6.063 -4.346 1.00 23.34 C ATOM 517 CE1 PHE A 55 -16.543 -6.651 -6.672 1.00 23.54 C ATOM 518 CE2 PHE A 55 -18.425 -6.998 -5.267 1.00 22.74 C ATOM 519 CZ PHE A 55 -17.721 -7.284 -6.413 1.00 21.58 C ATOM 520 HA PHE A 55 -16.054 -2.685 -4.884 1.00 0.00 H ATOM 521 HB2 PHE A 55 -15.128 -4.468 -3.597 1.00 0.00 H ATOM 522 HB3 PHE A 55 -16.615 -4.629 -2.634 1.00 0.00 H ATOM 523 HD2 PHE A 55 -18.487 -5.849 -3.436 1.00 0.00 H ATOM 524 HE2 PHE A 55 -19.373 -7.499 -5.073 1.00 0.00 H ATOM 525 HZ PHE A 55 -18.107 -8.021 -7.117 1.00 0.00 H ATOM 526 HE1 PHE A 55 -15.994 -6.872 -7.587 1.00 0.00 H ATOM 527 HD1 PHE A 55 -15.088 -5.207 -5.956 1.00 0.00 H ATOM 528 H PHE A 55 -15.828 -2.377 -2.036 1.00 0.00 H ATOM 529 N TYR A 56 -18.921 -2.975 -3.264 1.00 23.71 N ATOM 530 CA TYR A 56 -20.364 -2.921 -3.418 1.00 23.95 C ATOM 531 C TYR A 56 -20.833 -1.552 -3.904 1.00 23.67 C ATOM 532 O TYR A 56 -21.764 -1.451 -4.719 1.00 24.55 O ATOM 533 CB TYR A 56 -21.034 -3.297 -2.101 1.00 24.42 C ATOM 534 CG TYR A 56 -20.951 -4.790 -1.803 1.00 24.85 C ATOM 535 CD1 TYR A 56 -21.545 -5.721 -2.665 1.00 24.80 C ATOM 536 CD2 TYR A 56 -20.272 -5.264 -0.684 1.00 24.81 C ATOM 537 CE1 TYR A 56 -21.460 -7.105 -2.419 1.00 27.42 C ATOM 538 CE2 TYR A 56 -20.186 -6.635 -0.421 1.00 26.34 C ATOM 539 CZ TYR A 56 -20.796 -7.547 -1.287 1.00 27.92 C ATOM 540 OH TYR A 56 -20.725 -8.897 -1.028 1.00 30.21 O ATOM 541 HA TYR A 56 -20.654 -3.641 -4.183 1.00 0.00 H ATOM 542 HB3 TYR A 56 -22.084 -3.009 -2.149 1.00 0.00 H ATOM 543 HB2 TYR A 56 -20.546 -2.752 -1.293 1.00 0.00 H ATOM 544 HD2 TYR A 56 -19.800 -4.556 -0.003 1.00 0.00 H ATOM 545 HE2 TYR A 56 -19.645 -6.991 0.456 1.00 0.00 H ATOM 546 HE1 TYR A 56 -21.910 -7.818 -3.110 1.00 0.00 H ATOM 547 HD1 TYR A 56 -22.084 -5.367 -3.544 1.00 0.00 H ATOM 548 HH TYR A 56 -21.207 -9.393 -1.736 1.00 0.00 H ATOM 549 H TYR A 56 -18.515 -3.105 -2.315 1.00 0.00 H ATOM 550 N LEU A 57 -20.208 -0.495 -3.403 1.00 22.43 N ATOM 551 CA LEU A 57 -20.531 0.856 -3.883 1.00 21.98 C ATOM 552 C LEU A 57 -20.295 0.997 -5.384 1.00 21.57 C ATOM 553 O LEU A 57 -21.132 1.544 -6.107 1.00 21.26 O ATOM 554 CB LEU A 57 -19.749 1.922 -3.085 1.00 21.78 C ATOM 555 CG LEU A 57 -20.230 2.169 -1.648 1.00 22.87 C ATOM 556 CD1 LEU A 57 -19.325 3.170 -0.928 1.00 23.57 C ATOM 557 CD2 LEU A 57 -21.668 2.641 -1.632 1.00 24.55 C ATOM 558 HA LEU A 57 -21.595 1.021 -3.714 1.00 0.00 H ATOM 559 HB2 LEU A 57 -18.706 1.607 -3.039 1.00 0.00 H ATOM 560 HB3 LEU A 57 -19.819 2.865 -3.628 1.00 0.00 H ATOM 561 HG LEU A 57 -20.177 1.221 -1.113 1.00 0.00 H ATOM 562 HD21 LEU A 57 -21.750 3.571 -2.194 1.00 0.00 H ATOM 563 HD22 LEU A 57 -22.303 1.882 -2.089 1.00 0.00 H ATOM 564 HD23 LEU A 57 -21.983 2.808 -0.602 1.00 0.00 H ATOM 565 HD11 LEU A 57 -18.308 2.779 -0.893 1.00 0.00 H ATOM 566 HD12 LEU A 57 -19.333 4.118 -1.466 1.00 0.00 H ATOM 567 HD13 LEU A 57 -19.691 3.324 0.087 1.00 0.00 H ATOM 568 H LEU A 57 -19.485 -0.623 -2.666 1.00 0.00 H ATOM 569 N GLY A 58 -19.161 0.499 -5.856 1.00 22.02 N ATOM 570 CA GLY A 58 -18.888 0.424 -7.288 1.00 22.50 C ATOM 571 C GLY A 58 -19.934 -0.351 -8.071 1.00 24.24 C ATOM 572 O GLY A 58 -20.380 0.104 -9.128 1.00 24.77 O ATOM 573 HA3 GLY A 58 -17.923 -0.062 -7.429 1.00 0.00 H ATOM 574 HA2 GLY A 58 -18.844 1.439 -7.684 1.00 0.00 H ATOM 575 H GLY A 58 -18.445 0.152 -5.187 1.00 0.00 H ATOM 576 N GLN A 59 -20.326 -1.528 -7.566 1.00 24.32 N ATOM 577 CA GLN A 59 -21.315 -2.347 -8.239 1.00 24.80 C ATOM 578 C GLN A 59 -22.613 -1.562 -8.372 1.00 25.01 C ATOM 579 O GLN A 59 -23.247 -1.535 -9.422 1.00 25.62 O ATOM 580 CB GLN A 59 -21.564 -3.621 -7.433 1.00 25.10 C ATOM 581 CG GLN A 59 -22.504 -4.601 -8.117 1.00 26.21 C ATOM 582 CD GLN A 59 -22.514 -5.971 -7.456 1.00 26.80 C ATOM 583 OE1 GLN A 59 -21.632 -6.310 -6.658 1.00 28.77 O ATOM 584 NE2 GLN A 59 -23.514 -6.763 -7.789 1.00 30.60 N ATOM 585 HA GLN A 59 -20.950 -2.617 -9.230 1.00 0.00 H ATOM 586 HB2 GLN A 59 -20.608 -4.118 -7.269 1.00 0.00 H ATOM 587 HB3 GLN A 59 -21.996 -3.342 -6.472 1.00 0.00 H ATOM 588 HG2 GLN A 59 -23.514 -4.193 -8.087 1.00 0.00 H ATOM 589 HG3 GLN A 59 -22.191 -4.717 -9.155 1.00 0.00 H ATOM 590 HE22 GLN A 59 -24.234 -6.436 -8.465 1.00 0.00 H ATOM 591 HE21 GLN A 59 -23.583 -7.715 -7.376 1.00 0.00 H ATOM 592 H GLN A 59 -19.912 -1.861 -6.672 1.00 0.00 H ATOM 593 N TYR A 60 -23.005 -0.933 -7.276 1.00 25.26 N ATOM 594 CA TYR A 60 -24.217 -0.142 -7.223 1.00 24.99 C ATOM 595 C TYR A 60 -24.172 0.991 -8.255 1.00 24.80 C ATOM 596 O TYR A 60 -25.123 1.175 -9.013 1.00 25.33 O ATOM 597 CB TYR A 60 -24.393 0.388 -5.794 1.00 24.95 C ATOM 598 CG TYR A 60 -25.658 1.177 -5.572 1.00 24.49 C ATOM 599 CD1 TYR A 60 -26.849 0.540 -5.179 1.00 22.80 C ATOM 600 CD2 TYR A 60 -25.665 2.572 -5.741 1.00 24.51 C ATOM 601 CE1 TYR A 60 -28.012 1.291 -4.967 1.00 24.18 C ATOM 602 CE2 TYR A 60 -26.825 3.325 -5.546 1.00 24.35 C ATOM 603 CZ TYR A 60 -27.990 2.676 -5.147 1.00 24.78 C ATOM 604 OH TYR A 60 -29.126 3.420 -4.954 1.00 25.75 O ATOM 605 HA TYR A 60 -25.079 -0.759 -7.477 1.00 0.00 H ATOM 606 HB3 TYR A 60 -23.545 1.032 -5.562 1.00 0.00 H ATOM 607 HB2 TYR A 60 -24.398 -0.463 -5.113 1.00 0.00 H ATOM 608 HD2 TYR A 60 -24.744 3.078 -6.031 1.00 0.00 H ATOM 609 HE2 TYR A 60 -26.818 4.404 -5.704 1.00 0.00 H ATOM 610 HE1 TYR A 60 -28.933 0.795 -4.662 1.00 0.00 H ATOM 611 HD1 TYR A 60 -26.867 -0.541 -5.039 1.00 0.00 H ATOM 612 HH TYR A 60 -29.369 3.875 -5.799 1.00 0.00 H ATOM 613 H TYR A 60 -22.420 -1.010 -6.419 1.00 0.00 H ATOM 614 N ILE A 61 -23.064 1.728 -8.306 1.00 23.74 N ATOM 615 CA ILE A 61 -22.909 2.824 -9.263 1.00 23.28 C ATOM 616 C ILE A 61 -22.960 2.359 -10.723 1.00 24.03 C ATOM 617 O ILE A 61 -23.581 3.019 -11.570 1.00 23.93 O ATOM 618 CB ILE A 61 -21.593 3.598 -9.027 1.00 23.03 C ATOM 619 CG1 ILE A 61 -21.635 4.347 -7.679 1.00 21.48 C ATOM 620 CG2 ILE A 61 -21.284 4.541 -10.220 1.00 21.50 C ATOM 621 CD1 ILE A 61 -20.230 4.702 -7.129 1.00 22.86 C ATOM 622 HA ILE A 61 -23.760 3.482 -9.089 1.00 0.00 H ATOM 623 HB ILE A 61 -20.772 2.883 -8.969 1.00 0.00 H ATOM 624 HG12 ILE A 61 -22.197 5.271 -7.814 1.00 0.00 H ATOM 625 HG13 ILE A 61 -22.143 3.717 -6.949 1.00 0.00 H ATOM 626 HD11 ILE A 61 -19.658 3.786 -6.978 1.00 0.00 H ATOM 627 HD12 ILE A 61 -19.712 5.341 -7.844 1.00 0.00 H ATOM 628 HD13 ILE A 61 -20.335 5.227 -6.180 1.00 0.00 H ATOM 629 HG21 ILE A 61 -21.186 3.951 -11.132 1.00 0.00 H ATOM 630 HG22 ILE A 61 -22.097 5.258 -10.335 1.00 0.00 H ATOM 631 HG23 ILE A 61 -20.353 5.074 -10.029 1.00 0.00 H ATOM 632 H ILE A 61 -22.287 1.519 -7.647 1.00 0.00 H ATOM 633 N MET A 62 -22.316 1.231 -11.018 1.00 24.64 N ATOM 634 CA MET A 62 -22.336 0.676 -12.382 1.00 25.56 C ATOM 635 C MET A 62 -23.691 0.083 -12.790 1.00 26.01 C ATOM 636 O MET A 62 -24.133 0.291 -13.911 1.00 26.82 O ATOM 637 CB MET A 62 -21.198 -0.336 -12.600 1.00 25.06 C ATOM 638 CG MET A 62 -19.818 0.224 -12.294 1.00 26.23 C ATOM 639 SD MET A 62 -19.432 1.742 -13.203 1.00 25.85 S ATOM 640 CE MET A 62 -19.404 1.146 -14.886 1.00 29.34 C ATOM 641 HA MET A 62 -22.171 1.527 -13.043 1.00 0.00 H ATOM 642 HB2 MET A 62 -21.372 -1.196 -11.953 1.00 0.00 H ATOM 643 HB3 MET A 62 -21.217 -0.657 -13.642 1.00 0.00 H ATOM 644 HG2 MET A 62 -19.075 -0.531 -12.552 1.00 0.00 H ATOM 645 HG3 MET A 62 -19.762 0.438 -11.227 1.00 0.00 H ATOM 646 HE1 MET A 62 -18.639 0.376 -14.985 1.00 0.00 H ATOM 647 HE2 MET A 62 -20.378 0.727 -15.138 1.00 0.00 H ATOM 648 HE3 MET A 62 -19.178 1.973 -15.559 1.00 0.00 H ATOM 649 H MET A 62 -21.790 0.733 -10.272 1.00 0.00 H ATOM 650 N THR A 63 -24.339 -0.653 -11.895 1.00 26.32 N ATOM 651 CA THR A 63 -25.607 -1.291 -12.232 1.00 27.17 C ATOM 652 C THR A 63 -26.763 -0.284 -12.263 1.00 27.97 C ATOM 653 O THR A 63 -27.829 -0.591 -12.820 1.00 28.05 O ATOM 654 CB THR A 63 -25.965 -2.489 -11.283 1.00 26.77 C ATOM 655 OG1 THR A 63 -25.998 -2.040 -9.917 1.00 28.14 O ATOM 656 CG2 THR A 63 -24.950 -3.622 -11.418 1.00 25.41 C ATOM 657 HA THR A 63 -25.468 -1.697 -13.234 1.00 0.00 H ATOM 658 HB THR A 63 -26.946 -2.865 -11.573 1.00 0.00 H ATOM 659 HG1 THR A 63 -25.110 -1.680 -9.668 1.00 0.00 H ATOM 660 HG23 THR A 63 -24.924 -3.963 -12.453 1.00 0.00 H ATOM 661 HG21 THR A 63 -23.963 -3.261 -11.128 1.00 0.00 H ATOM 662 HG22 THR A 63 -25.241 -4.448 -10.769 1.00 0.00 H ATOM 663 H THR A 63 -23.938 -0.776 -10.943 1.00 0.00 H ATOM 664 N LYS A 64 -26.568 0.890 -11.643 1.00 28.57 N ATOM 665 CA LYS A 64 -27.562 1.978 -11.674 1.00 29.17 C ATOM 666 C LYS A 64 -27.160 3.151 -12.584 1.00 29.60 C ATOM 667 O LYS A 64 -27.885 4.131 -12.715 1.00 29.60 O ATOM 668 CB LYS A 64 -27.912 2.455 -10.256 1.00 29.58 C ATOM 669 CG LYS A 64 -28.398 1.329 -9.349 1.00 31.16 C ATOM 670 CD LYS A 64 -29.683 1.579 -8.504 1.00 32.70 C ATOM 671 CE LYS A 64 -30.154 3.017 -8.382 1.00 33.72 C ATOM 672 NZ LYS A 64 -31.190 3.189 -7.284 1.00 32.14 N ATOM 673 HA LYS A 64 -28.461 1.553 -12.121 1.00 0.00 H ATOM 674 HB2 LYS A 64 -27.023 2.901 -9.810 1.00 0.00 H ATOM 675 HB3 LYS A 64 -28.697 3.207 -10.327 1.00 0.00 H ATOM 676 HG2 LYS A 64 -28.588 0.461 -9.981 1.00 0.00 H ATOM 677 HG3 LYS A 64 -27.591 1.100 -8.653 1.00 0.00 H ATOM 678 HD2 LYS A 64 -30.492 1.004 -8.955 1.00 0.00 H ATOM 679 HD3 LYS A 64 -29.493 1.208 -7.497 1.00 0.00 H ATOM 680 HE2 LYS A 64 -30.593 3.325 -9.331 1.00 0.00 H ATOM 681 HE3 LYS A 64 -29.296 3.650 -8.158 1.00 0.00 H ATOM 682 HZ1 LYS A 64 -32.017 2.594 -7.493 1.00 0.00 H ATOM 683 HZ2 LYS A 64 -30.778 2.904 -6.373 1.00 0.00 H ATOM 684 HZ3 LYS A 64 -31.482 4.186 -7.238 1.00 0.00 H ATOM 685 H LYS A 64 -25.681 1.038 -11.120 1.00 0.00 H ATOM 686 N ARG A 65 -26.018 3.019 -13.249 1.00 29.82 N ATOM 687 CA ARG A 65 -25.542 4.021 -14.182 1.00 30.92 C ATOM 688 C ARG A 65 -25.472 5.398 -13.515 1.00 30.34 C ATOM 689 O ARG A 65 -26.010 6.394 -14.043 1.00 29.78 O ATOM 690 CB ARG A 65 -26.418 4.047 -15.447 1.00 31.86 C ATOM 691 CG ARG A 65 -25.836 4.871 -16.585 1.00 36.68 C ATOM 692 CD ARG A 65 -26.957 5.583 -17.400 1.00 46.51 C ATOM 693 NE ARG A 65 -27.431 4.760 -18.514 1.00 53.28 N ATOM 694 CZ ARG A 65 -27.812 5.232 -19.708 1.00 56.83 C ATOM 695 NH1 ARG A 65 -27.780 6.543 -19.971 1.00 57.38 N ATOM 696 NH2 ARG A 65 -28.214 4.380 -20.653 1.00 57.48 N ATOM 697 HA ARG A 65 -24.530 3.754 -14.487 1.00 0.00 H ATOM 698 HB2 ARG A 65 -26.547 3.023 -15.796 1.00 0.00 H ATOM 699 HB3 ARG A 65 -27.390 4.465 -15.183 1.00 0.00 H ATOM 700 HG2 ARG A 65 -25.165 5.624 -16.171 1.00 0.00 H ATOM 701 HG3 ARG A 65 -25.277 4.213 -17.250 1.00 0.00 H ATOM 702 HD2 ARG A 65 -26.564 6.519 -17.796 1.00 0.00 H ATOM 703 HD3 ARG A 65 -27.795 5.794 -16.736 1.00 0.00 H ATOM 704 HE ARG A 65 -27.475 3.731 -18.367 1.00 0.00 H ATOM 705 HH12 ARG A 65 -28.079 6.894 -20.903 1.00 0.00 H ATOM 706 HH11 ARG A 65 -27.456 7.212 -19.243 1.00 0.00 H ATOM 707 HH22 ARG A 65 -28.512 4.738 -21.583 1.00 0.00 H ATOM 708 HH21 ARG A 65 -28.230 3.358 -20.459 1.00 0.00 H ATOM 709 H ARG A 65 -25.444 2.165 -13.095 1.00 0.00 H ATOM 710 N LEU A 66 -24.792 5.462 -12.369 1.00 29.28 N ATOM 711 CA LEU A 66 -24.716 6.722 -11.632 1.00 28.62 C ATOM 712 C LEU A 66 -23.555 7.578 -12.108 1.00 28.86 C ATOM 713 O LEU A 66 -22.760 8.054 -11.321 1.00 28.45 O ATOM 714 CB LEU A 66 -24.719 6.512 -10.104 1.00 27.43 C ATOM 715 CG LEU A 66 -25.935 5.804 -9.494 1.00 25.50 C ATOM 716 CD1 LEU A 66 -25.759 5.616 -7.979 1.00 22.42 C ATOM 717 CD2 LEU A 66 -27.321 6.481 -9.825 1.00 24.73 C ATOM 718 HA LEU A 66 -25.626 7.279 -11.854 1.00 0.00 H ATOM 719 HB2 LEU A 66 -23.837 5.923 -9.852 1.00 0.00 H ATOM 720 HB3 LEU A 66 -24.644 7.494 -9.638 1.00 0.00 H ATOM 721 HG LEU A 66 -25.972 4.827 -9.975 1.00 0.00 H ATOM 722 HD21 LEU A 66 -27.325 7.503 -9.445 1.00 0.00 H ATOM 723 HD22 LEU A 66 -27.469 6.493 -10.905 1.00 0.00 H ATOM 724 HD23 LEU A 66 -28.123 5.913 -9.353 1.00 0.00 H ATOM 725 HD11 LEU A 66 -24.871 5.013 -7.790 1.00 0.00 H ATOM 726 HD12 LEU A 66 -25.646 6.591 -7.504 1.00 0.00 H ATOM 727 HD13 LEU A 66 -26.636 5.112 -7.572 1.00 0.00 H ATOM 728 H LEU A 66 -24.316 4.615 -12.000 1.00 0.00 H ATOM 729 N TYR A 67 -23.487 7.800 -13.417 1.00 29.78 N ATOM 730 CA TYR A 67 -22.411 8.576 -14.014 1.00 30.73 C ATOM 731 C TYR A 67 -22.806 8.923 -15.441 1.00 31.57 C ATOM 732 O TYR A 67 -23.801 8.416 -15.958 1.00 31.42 O ATOM 733 CB TYR A 67 -21.109 7.761 -14.032 1.00 31.49 C ATOM 734 CG TYR A 67 -21.230 6.490 -14.820 1.00 32.47 C ATOM 735 CD1 TYR A 67 -20.882 6.444 -16.177 1.00 33.83 C ATOM 736 CD2 TYR A 67 -21.722 5.335 -14.231 1.00 33.47 C ATOM 737 CE1 TYR A 67 -21.015 5.269 -16.911 1.00 33.39 C ATOM 738 CE2 TYR A 67 -21.856 4.162 -14.954 1.00 34.61 C ATOM 739 CZ TYR A 67 -21.497 4.134 -16.287 1.00 34.37 C ATOM 740 OH TYR A 67 -21.649 2.959 -16.994 1.00 35.49 O ATOM 741 HA TYR A 67 -22.247 9.481 -13.429 1.00 0.00 H ATOM 742 HB3 TYR A 67 -20.840 7.511 -13.006 1.00 0.00 H ATOM 743 HB2 TYR A 67 -20.322 8.372 -14.474 1.00 0.00 H ATOM 744 HD2 TYR A 67 -22.008 5.351 -13.179 1.00 0.00 H ATOM 745 HE2 TYR A 67 -22.243 3.264 -14.473 1.00 0.00 H ATOM 746 HE1 TYR A 67 -20.742 5.244 -17.966 1.00 0.00 H ATOM 747 HD1 TYR A 67 -20.502 7.342 -16.665 1.00 0.00 H ATOM 748 HH TYR A 67 -22.602 2.692 -16.986 1.00 0.00 H ATOM 749 H TYR A 67 -24.226 7.407 -14.034 1.00 0.00 H ATOM 750 N ASP A 68 -22.009 9.770 -16.073 1.00 32.53 N ATOM 751 CA ASP A 68 -22.208 10.159 -17.461 1.00 33.94 C ATOM 752 C ASP A 68 -20.992 9.741 -18.261 1.00 34.71 C ATOM 753 O ASP A 68 -19.858 9.976 -17.847 1.00 34.42 O ATOM 754 CB ASP A 68 -22.371 11.670 -17.539 1.00 33.73 C ATOM 755 CG ASP A 68 -22.725 12.153 -18.931 1.00 35.87 C ATOM 756 OD1 ASP A 68 -21.805 12.534 -19.679 1.00 36.48 O ATOM 757 OD2 ASP A 68 -23.929 12.158 -19.274 1.00 37.07 O ATOM 758 HA ASP A 68 -23.100 9.677 -17.862 1.00 0.00 H ATOM 759 HB2 ASP A 68 -23.164 11.971 -16.854 1.00 0.00 H ATOM 760 HB3 ASP A 68 -21.434 12.137 -17.236 1.00 0.00 H ATOM 761 H ASP A 68 -21.204 10.176 -15.554 1.00 0.00 H ATOM 762 N GLU A 69 -21.217 9.113 -19.405 1.00 36.55 N ATOM 763 CA GLU A 69 -20.104 8.667 -20.269 1.00 38.29 C ATOM 764 C GLU A 69 -19.070 9.750 -20.601 1.00 37.89 C ATOM 765 O GLU A 69 -17.891 9.449 -20.711 1.00 38.36 O ATOM 766 CB GLU A 69 -20.635 8.021 -21.558 1.00 39.42 C ATOM 767 CG GLU A 69 -21.202 6.603 -21.368 1.00 43.75 C ATOM 768 CD GLU A 69 -22.591 6.582 -20.728 1.00 49.26 C ATOM 769 OE1 GLU A 69 -23.221 7.671 -20.629 1.00 52.74 O ATOM 770 OE2 GLU A 69 -23.053 5.480 -20.317 1.00 51.13 O ATOM 771 HA GLU A 69 -19.569 7.926 -19.675 1.00 0.00 H ATOM 772 HB2 GLU A 69 -21.427 8.655 -21.957 1.00 0.00 H ATOM 773 HB3 GLU A 69 -19.817 7.968 -22.276 1.00 0.00 H ATOM 774 HG2 GLU A 69 -21.264 6.122 -22.344 1.00 0.00 H ATOM 775 HG3 GLU A 69 -20.520 6.041 -20.731 1.00 0.00 H ATOM 776 H GLU A 69 -22.197 8.930 -19.701 1.00 0.00 H ATOM 777 N LYS A 70 -19.499 11.003 -20.721 1.00 38.05 N ATOM 778 CA LYS A 70 -18.603 12.102 -21.074 1.00 38.24 C ATOM 779 C LYS A 70 -17.732 12.576 -19.916 1.00 37.35 C ATOM 780 O LYS A 70 -16.752 13.280 -20.139 1.00 37.21 O ATOM 781 CB LYS A 70 -19.395 13.292 -21.657 1.00 38.72 C ATOM 782 CG LYS A 70 -19.801 13.140 -23.149 1.00 42.08 C ATOM 783 CD LYS A 70 -19.064 14.134 -24.080 1.00 46.73 C ATOM 784 CE LYS A 70 -17.504 13.931 -24.149 1.00 49.02 C ATOM 785 NZ LYS A 70 -17.058 12.553 -24.590 1.00 50.09 N ATOM 786 HA LYS A 70 -17.929 11.702 -21.831 1.00 0.00 H ATOM 787 HB2 LYS A 70 -20.305 13.414 -21.069 1.00 0.00 H ATOM 788 HB3 LYS A 70 -18.780 14.187 -21.563 1.00 0.00 H ATOM 789 HG2 LYS A 70 -19.569 12.125 -23.471 1.00 0.00 H ATOM 790 HG3 LYS A 70 -20.874 13.311 -23.237 1.00 0.00 H ATOM 791 HD2 LYS A 70 -19.467 14.021 -25.086 1.00 0.00 H ATOM 792 HD3 LYS A 70 -19.260 15.145 -23.723 1.00 0.00 H ATOM 793 HE2 LYS A 70 -17.094 14.118 -23.157 1.00 0.00 H ATOM 794 HE3 LYS A 70 -17.099 14.659 -24.852 1.00 0.00 H ATOM 795 HZ1 LYS A 70 -17.423 11.842 -23.924 1.00 0.00 H ATOM 796 HZ2 LYS A 70 -17.427 12.359 -25.543 1.00 0.00 H ATOM 797 HZ3 LYS A 70 -16.019 12.515 -24.605 1.00 0.00 H ATOM 798 H LYS A 70 -20.506 11.208 -20.558 1.00 0.00 H ATOM 799 N GLN A 71 -18.092 12.213 -18.683 1.00 36.56 N ATOM 800 CA GLN A 71 -17.284 12.572 -17.496 1.00 35.73 C ATOM 801 C GLN A 71 -17.097 11.347 -16.597 1.00 35.41 C ATOM 802 O GLN A 71 -17.904 11.069 -15.705 1.00 34.71 O ATOM 803 CB GLN A 71 -17.927 13.705 -16.695 1.00 35.68 C ATOM 804 CG GLN A 71 -18.244 14.952 -17.475 1.00 36.89 C ATOM 805 CD GLN A 71 -19.184 15.838 -16.718 1.00 40.04 C ATOM 806 OE1 GLN A 71 -19.019 16.034 -15.516 1.00 42.66 O ATOM 807 NE2 GLN A 71 -20.189 16.372 -17.403 1.00 40.74 N ATOM 808 HA GLN A 71 -16.314 12.919 -17.851 1.00 0.00 H ATOM 809 HB2 GLN A 71 -18.857 13.329 -16.269 1.00 0.00 H ATOM 810 HB3 GLN A 71 -17.244 13.977 -15.890 1.00 0.00 H ATOM 811 HG2 GLN A 71 -17.319 15.496 -17.668 1.00 0.00 H ATOM 812 HG3 GLN A 71 -18.704 14.672 -18.423 1.00 0.00 H ATOM 813 HE22 GLN A 71 -20.287 16.177 -18.420 1.00 0.00 H ATOM 814 HE21 GLN A 71 -20.878 16.985 -16.923 1.00 0.00 H ATOM 815 H GLN A 71 -18.965 11.662 -18.553 1.00 0.00 H ATOM 816 N GLN A 72 -16.015 10.624 -16.829 1.00 34.36 N ATOM 817 CA GLN A 72 -15.854 9.323 -16.228 1.00 34.01 C ATOM 818 C GLN A 72 -15.213 9.335 -14.854 1.00 33.21 C ATOM 819 O GLN A 72 -14.913 8.264 -14.310 1.00 33.66 O ATOM 820 CB GLN A 72 -15.065 8.423 -17.170 1.00 34.59 C ATOM 821 CG GLN A 72 -15.688 8.374 -18.549 1.00 37.01 C ATOM 822 CD GLN A 72 -15.304 7.166 -19.340 1.00 38.81 C ATOM 823 OE1 GLN A 72 -15.769 6.996 -20.462 1.00 41.14 O ATOM 824 NE2 GLN A 72 -14.469 6.307 -18.768 1.00 39.73 N ATOM 825 HA GLN A 72 -16.861 8.935 -16.071 1.00 0.00 H ATOM 826 HB2 GLN A 72 -14.048 8.805 -17.255 1.00 0.00 H ATOM 827 HB3 GLN A 72 -15.040 7.414 -16.757 1.00 0.00 H ATOM 828 HG2 GLN A 72 -16.772 8.382 -18.437 1.00 0.00 H ATOM 829 HG3 GLN A 72 -15.374 9.260 -19.100 1.00 0.00 H ATOM 830 HE22 GLN A 72 -14.102 6.496 -17.814 1.00 0.00 H ATOM 831 HE21 GLN A 72 -14.182 5.445 -19.274 1.00 0.00 H ATOM 832 H GLN A 72 -15.271 10.998 -17.452 1.00 0.00 H ATOM 833 N HIS A 73 -14.982 10.527 -14.301 1.00 31.70 N ATOM 834 CA HIS A 73 -14.463 10.634 -12.936 1.00 30.82 C ATOM 835 C HIS A 73 -15.506 11.094 -11.932 1.00 28.82 C ATOM 836 O HIS A 73 -15.201 11.207 -10.758 1.00 28.00 O ATOM 837 CB HIS A 73 -13.257 11.574 -12.872 1.00 31.63 C ATOM 838 CG HIS A 73 -12.097 11.120 -13.699 1.00 35.28 C ATOM 839 ND1 HIS A 73 -11.668 9.809 -13.722 1.00 37.72 N ATOM 840 CD2 HIS A 73 -11.269 11.804 -14.521 1.00 37.03 C ATOM 841 CE1 HIS A 73 -10.635 9.703 -14.538 1.00 40.17 C ATOM 842 NE2 HIS A 73 -10.368 10.901 -15.027 1.00 39.66 N ATOM 843 HA HIS A 73 -14.160 9.624 -12.661 1.00 0.00 H ATOM 844 HB2 HIS A 73 -13.568 12.557 -13.225 1.00 0.00 H ATOM 845 HB3 HIS A 73 -12.932 11.648 -11.834 1.00 0.00 H ATOM 846 HD2 HIS A 73 -11.310 12.871 -14.740 1.00 0.00 H ATOM 847 HE1 HIS A 73 -10.095 8.785 -14.769 1.00 0.00 H ATOM 848 H HIS A 73 -15.173 11.392 -14.847 1.00 0.00 H ATOM 849 N ILE A 74 -16.722 11.362 -12.402 1.00 27.07 N ATOM 850 CA ILE A 74 -17.771 11.939 -11.571 1.00 25.45 C ATOM 851 C ILE A 74 -18.902 10.937 -11.364 1.00 24.57 C ATOM 852 O ILE A 74 -19.400 10.358 -12.335 1.00 24.53 O ATOM 853 CB ILE A 74 -18.367 13.260 -12.184 1.00 25.37 C ATOM 854 CG1 ILE A 74 -17.264 14.248 -12.579 1.00 25.55 C ATOM 855 CG2 ILE A 74 -19.346 13.921 -11.197 1.00 24.96 C ATOM 856 CD1 ILE A 74 -16.297 14.546 -11.452 1.00 27.65 C ATOM 857 HA ILE A 74 -17.307 12.186 -10.616 1.00 0.00 H ATOM 858 HB ILE A 74 -18.909 12.985 -13.089 1.00 0.00 H ATOM 859 HG12 ILE A 74 -16.704 13.827 -13.414 1.00 0.00 H ATOM 860 HG13 ILE A 74 -17.731 15.182 -12.891 1.00 0.00 H ATOM 861 HD11 ILE A 74 -16.841 14.978 -10.613 1.00 0.00 H ATOM 862 HD12 ILE A 74 -15.814 13.622 -11.136 1.00 0.00 H ATOM 863 HD13 ILE A 74 -15.542 15.252 -11.799 1.00 0.00 H ATOM 864 HG21 ILE A 74 -20.162 13.232 -10.980 1.00 0.00 H ATOM 865 HG22 ILE A 74 -18.820 14.165 -10.274 1.00 0.00 H ATOM 866 HG23 ILE A 74 -19.747 14.833 -11.640 1.00 0.00 H ATOM 867 H ILE A 74 -16.931 11.152 -13.399 1.00 0.00 H ATOM 868 N VAL A 75 -19.283 10.728 -10.106 1.00 22.66 N ATOM 869 CA VAL A 75 -20.495 9.976 -9.787 1.00 20.85 C ATOM 870 C VAL A 75 -21.610 10.996 -9.620 1.00 21.44 C ATOM 871 O VAL A 75 -21.458 11.937 -8.844 1.00 21.21 O ATOM 872 CB VAL A 75 -20.352 9.182 -8.451 1.00 20.92 C ATOM 873 CG1 VAL A 75 -21.657 8.543 -8.048 1.00 19.69 C ATOM 874 CG2 VAL A 75 -19.288 8.121 -8.563 1.00 17.27 C ATOM 875 HA VAL A 75 -20.694 9.257 -10.582 1.00 0.00 H ATOM 876 HB VAL A 75 -20.061 9.899 -7.683 1.00 0.00 H ATOM 877 HG11 VAL A 75 -22.412 9.317 -7.912 1.00 0.00 H ATOM 878 HG12 VAL A 75 -21.978 7.853 -8.828 1.00 0.00 H ATOM 879 HG13 VAL A 75 -21.520 7.999 -7.114 1.00 0.00 H ATOM 880 HG21 VAL A 75 -19.554 7.424 -9.357 1.00 0.00 H ATOM 881 HG22 VAL A 75 -18.332 8.590 -8.795 1.00 0.00 H ATOM 882 HG23 VAL A 75 -19.211 7.584 -7.617 1.00 0.00 H ATOM 883 H VAL A 75 -18.704 11.109 -9.331 1.00 0.00 H ATOM 884 N TYR A 76 -22.727 10.767 -10.294 1.00 21.13 N ATOM 885 CA TYR A 76 -23.927 11.616 -10.182 1.00 22.17 C ATOM 886 C TYR A 76 -24.952 10.796 -9.425 1.00 22.44 C ATOM 887 O TYR A 76 -25.425 9.781 -9.931 1.00 22.97 O ATOM 888 CB TYR A 76 -24.435 12.033 -11.592 1.00 23.10 C ATOM 889 CG TYR A 76 -23.585 13.099 -12.258 1.00 22.77 C ATOM 890 CD1 TYR A 76 -23.715 14.443 -11.883 1.00 23.77 C ATOM 891 CD2 TYR A 76 -22.631 12.773 -13.247 1.00 23.08 C ATOM 892 CE1 TYR A 76 -22.915 15.447 -12.461 1.00 24.23 C ATOM 893 CE2 TYR A 76 -21.816 13.787 -13.841 1.00 23.31 C ATOM 894 CZ TYR A 76 -21.975 15.112 -13.432 1.00 24.23 C ATOM 895 OH TYR A 76 -21.231 16.144 -13.993 1.00 25.93 O ATOM 896 HA TYR A 76 -23.720 12.546 -9.653 1.00 0.00 H ATOM 897 HB3 TYR A 76 -25.451 12.415 -11.493 1.00 0.00 H ATOM 898 HB2 TYR A 76 -24.442 11.150 -12.230 1.00 0.00 H ATOM 899 HD2 TYR A 76 -22.514 11.736 -13.561 1.00 0.00 H ATOM 900 HE2 TYR A 76 -21.081 13.529 -14.603 1.00 0.00 H ATOM 901 HE1 TYR A 76 -23.031 16.485 -12.149 1.00 0.00 H ATOM 902 HD1 TYR A 76 -24.451 14.717 -11.128 1.00 0.00 H ATOM 903 HH TYR A 76 -20.268 15.976 -13.840 1.00 0.00 H ATOM 904 H TYR A 76 -22.759 9.948 -10.934 1.00 0.00 H ATOM 905 N CYS A 77 -25.231 11.202 -8.190 1.00 22.42 N ATOM 906 CA CYS A 77 -26.020 10.426 -7.232 1.00 23.78 C ATOM 907 C CYS A 77 -27.173 11.261 -6.664 1.00 25.36 C ATOM 908 O CYS A 77 -27.813 10.867 -5.687 1.00 25.40 O ATOM 909 CB CYS A 77 -25.141 9.902 -6.076 1.00 22.85 C ATOM 910 SG CYS A 77 -24.018 11.158 -5.344 1.00 21.50 S ATOM 911 HA CYS A 77 -26.433 9.573 -7.771 1.00 0.00 H ATOM 912 HB2 CYS A 77 -24.533 9.081 -6.455 1.00 0.00 H ATOM 913 HB3 CYS A 77 -25.798 9.532 -5.289 1.00 0.00 H ATOM 914 HG CYS A 77 -24.765 12.203 -4.840 1.00 0.00 H ATOM 915 H CYS A 77 -24.866 12.127 -7.886 1.00 0.00 H ATOM 916 N SER A 78 -27.399 12.431 -7.268 1.00 27.25 N ATOM 917 CA SER A 78 -28.537 13.285 -6.937 1.00 29.78 C ATOM 918 C SER A 78 -29.842 12.529 -7.231 1.00 30.48 C ATOM 919 O SER A 78 -29.966 11.857 -8.259 1.00 31.91 O ATOM 920 CB SER A 78 -28.443 14.549 -7.776 1.00 30.01 C ATOM 921 OG SER A 78 -29.649 15.280 -7.741 1.00 34.11 O ATOM 922 HA SER A 78 -28.528 13.552 -5.880 1.00 0.00 H ATOM 923 HB2 SER A 78 -28.224 14.275 -8.808 1.00 0.00 H ATOM 924 HB3 SER A 78 -27.638 15.173 -7.388 1.00 0.00 H ATOM 925 HG SER A 78 -30.384 14.720 -8.097 1.00 0.00 H ATOM 926 H SER A 78 -26.737 12.747 -8.005 1.00 0.00 H ATOM 927 N ASN A 79 -30.789 12.583 -6.305 1.00 31.04 N ATOM 928 CA ASN A 79 -32.045 11.835 -6.452 1.00 31.40 C ATOM 929 C ASN A 79 -31.838 10.303 -6.543 1.00 30.16 C ATOM 930 O ASN A 79 -32.527 9.584 -7.282 1.00 30.45 O ATOM 931 CB ASN A 79 -32.898 12.427 -7.603 1.00 31.97 C ATOM 932 CG ASN A 79 -33.560 13.797 -7.220 1.00 36.25 C ATOM 933 OD1 ASN A 79 -34.489 13.840 -6.397 1.00 40.97 O ATOM 934 ND2 ASN A 79 -33.090 14.896 -7.826 1.00 35.00 N ATOM 935 HA ASN A 79 -32.619 11.964 -5.534 1.00 0.00 H ATOM 936 HB2 ASN A 79 -32.256 12.579 -8.471 1.00 0.00 H ATOM 937 HB3 ASN A 79 -33.685 11.717 -7.855 1.00 0.00 H ATOM 938 HD22 ASN A 79 -32.310 14.820 -8.510 1.00 0.00 H ATOM 939 HD21 ASN A 79 -33.505 15.825 -7.612 1.00 0.00 H ATOM 940 H ASN A 79 -30.640 13.167 -5.457 1.00 0.00 H ATOM 941 N ASP A 80 -30.873 9.809 -5.769 1.00 28.98 N ATOM 942 CA ASP A 80 -30.678 8.380 -5.584 1.00 27.70 C ATOM 943 C ASP A 80 -30.386 8.208 -4.111 1.00 26.93 C ATOM 944 O ASP A 80 -29.826 9.103 -3.501 1.00 27.19 O ATOM 945 CB ASP A 80 -29.508 7.883 -6.438 1.00 27.33 C ATOM 946 CG ASP A 80 -29.337 6.397 -6.376 1.00 27.38 C ATOM 947 OD1 ASP A 80 -29.831 5.714 -7.297 1.00 26.94 O ATOM 948 OD2 ASP A 80 -28.733 5.897 -5.400 1.00 28.49 O ATOM 949 HA ASP A 80 -31.550 7.803 -5.891 1.00 0.00 H ATOM 950 HB2 ASP A 80 -29.685 8.171 -7.474 1.00 0.00 H ATOM 951 HB3 ASP A 80 -28.592 8.355 -6.083 1.00 0.00 H ATOM 952 H ASP A 80 -30.236 10.469 -5.279 1.00 0.00 H ATOM 953 N LEU A 81 -30.750 7.069 -3.536 1.00 26.27 N ATOM 954 CA LEU A 81 -30.402 6.767 -2.145 1.00 26.20 C ATOM 955 C LEU A 81 -28.957 7.146 -1.815 1.00 25.78 C ATOM 956 O LEU A 81 -28.686 7.738 -0.769 1.00 25.82 O ATOM 957 CB LEU A 81 -30.614 5.288 -1.842 1.00 27.03 C ATOM 958 CG LEU A 81 -31.053 4.810 -0.440 1.00 29.76 C ATOM 959 CD1 LEU A 81 -30.392 3.474 -0.086 1.00 30.68 C ATOM 960 CD2 LEU A 81 -30.904 5.792 0.720 1.00 30.66 C ATOM 961 HA LEU A 81 -31.064 7.369 -1.522 1.00 0.00 H ATOM 962 HB2 LEU A 81 -31.374 4.936 -2.540 1.00 0.00 H ATOM 963 HB3 LEU A 81 -29.668 4.791 -2.055 1.00 0.00 H ATOM 964 HG LEU A 81 -32.132 4.703 -0.550 1.00 0.00 H ATOM 965 HD21 LEU A 81 -29.856 6.071 0.826 1.00 0.00 H ATOM 966 HD22 LEU A 81 -31.500 6.682 0.519 1.00 0.00 H ATOM 967 HD23 LEU A 81 -31.251 5.321 1.640 1.00 0.00 H ATOM 968 HD11 LEU A 81 -30.681 2.721 -0.820 1.00 0.00 H ATOM 969 HD12 LEU A 81 -29.309 3.593 -0.093 1.00 0.00 H ATOM 970 HD13 LEU A 81 -30.718 3.160 0.906 1.00 0.00 H ATOM 971 H LEU A 81 -31.295 6.374 -4.085 1.00 0.00 H ATOM 972 N LEU A 82 -28.031 6.802 -2.713 1.00 25.04 N ATOM 973 CA LEU A 82 -26.616 7.072 -2.483 1.00 24.33 C ATOM 974 C LEU A 82 -26.352 8.563 -2.195 1.00 24.23 C ATOM 975 O LEU A 82 -25.622 8.872 -1.263 1.00 24.12 O ATOM 976 CB LEU A 82 -25.764 6.573 -3.659 1.00 24.10 C ATOM 977 CG LEU A 82 -24.237 6.773 -3.524 1.00 22.42 C ATOM 978 CD1 LEU A 82 -23.704 6.199 -2.223 1.00 17.91 C ATOM 979 CD2 LEU A 82 -23.530 6.130 -4.705 1.00 23.56 C ATOM 980 HA LEU A 82 -26.321 6.519 -1.592 1.00 0.00 H ATOM 981 HB2 LEU A 82 -25.951 5.506 -3.777 1.00 0.00 H ATOM 982 HB3 LEU A 82 -26.091 7.100 -4.555 1.00 0.00 H ATOM 983 HG LEU A 82 -24.040 7.845 -3.515 1.00 0.00 H ATOM 984 HD21 LEU A 82 -23.755 5.064 -4.725 1.00 0.00 H ATOM 985 HD22 LEU A 82 -23.875 6.593 -5.629 1.00 0.00 H ATOM 986 HD23 LEU A 82 -22.454 6.274 -4.605 1.00 0.00 H ATOM 987 HD11 LEU A 82 -24.190 6.695 -1.383 1.00 0.00 H ATOM 988 HD12 LEU A 82 -23.914 5.130 -2.186 1.00 0.00 H ATOM 989 HD13 LEU A 82 -22.628 6.362 -2.170 1.00 0.00 H ATOM 990 H LEU A 82 -28.324 6.332 -3.593 1.00 0.00 H ATOM 991 N GLY A 83 -26.941 9.466 -2.994 1.00 23.97 N ATOM 992 CA GLY A 83 -26.851 10.898 -2.733 1.00 25.18 C ATOM 993 C GLY A 83 -27.474 11.317 -1.407 1.00 24.92 C ATOM 994 O GLY A 83 -26.952 12.204 -0.719 1.00 25.54 O ATOM 995 HA3 GLY A 83 -27.362 11.428 -3.537 1.00 0.00 H ATOM 996 HA2 GLY A 83 -25.799 11.181 -2.724 1.00 0.00 H ATOM 997 H GLY A 83 -27.476 9.136 -3.822 1.00 0.00 H ATOM 998 N ASP A 84 -28.592 10.704 -1.038 1.00 25.34 N ATOM 999 CA ASP A 84 -29.189 10.990 0.271 1.00 26.71 C ATOM 1000 C ASP A 84 -28.221 10.628 1.390 1.00 26.18 C ATOM 1001 O ASP A 84 -28.057 11.388 2.328 1.00 26.73 O ATOM 1002 CB ASP A 84 -30.488 10.205 0.482 1.00 27.08 C ATOM 1003 CG ASP A 84 -31.580 10.541 -0.556 1.00 30.03 C ATOM 1004 OD1 ASP A 84 -31.498 11.573 -1.261 1.00 31.34 O ATOM 1005 OD2 ASP A 84 -32.539 9.745 -0.652 1.00 35.39 O ATOM 1006 HA ASP A 84 -29.409 12.057 0.294 1.00 0.00 H ATOM 1007 HB2 ASP A 84 -30.264 9.140 0.416 1.00 0.00 H ATOM 1008 HB3 ASP A 84 -30.873 10.433 1.476 1.00 0.00 H ATOM 1009 H ASP A 84 -29.045 10.020 -1.677 1.00 0.00 H ATOM 1010 N LEU A 85 -27.595 9.455 1.296 1.00 26.10 N ATOM 1011 CA LEU A 85 -26.678 8.969 2.335 1.00 25.15 C ATOM 1012 C LEU A 85 -25.348 9.725 2.388 1.00 24.52 C ATOM 1013 O LEU A 85 -24.808 9.964 3.470 1.00 24.11 O ATOM 1014 CB LEU A 85 -26.400 7.468 2.138 1.00 25.47 C ATOM 1015 CG LEU A 85 -27.623 6.538 2.138 1.00 26.03 C ATOM 1016 CD1 LEU A 85 -27.196 5.106 1.987 1.00 28.09 C ATOM 1017 CD2 LEU A 85 -28.469 6.698 3.381 1.00 26.41 C ATOM 1018 HA LEU A 85 -27.182 9.147 3.285 1.00 0.00 H ATOM 1019 HB2 LEU A 85 -25.892 7.348 1.181 1.00 0.00 H ATOM 1020 HB3 LEU A 85 -25.738 7.145 2.942 1.00 0.00 H ATOM 1021 HG LEU A 85 -28.239 6.824 1.285 1.00 0.00 H ATOM 1022 HD21 LEU A 85 -27.868 6.465 4.260 1.00 0.00 H ATOM 1023 HD22 LEU A 85 -28.827 7.726 3.446 1.00 0.00 H ATOM 1024 HD23 LEU A 85 -29.320 6.018 3.330 1.00 0.00 H ATOM 1025 HD11 LEU A 85 -26.659 4.986 1.046 1.00 0.00 H ATOM 1026 HD12 LEU A 85 -26.543 4.833 2.816 1.00 0.00 H ATOM 1027 HD13 LEU A 85 -28.076 4.463 1.989 1.00 0.00 H ATOM 1028 H LEU A 85 -27.762 8.863 0.457 1.00 0.00 H ATOM 1029 N PHE A 86 -24.818 10.080 1.213 1.00 24.00 N ATOM 1030 CA PHE A 86 -23.539 10.780 1.121 1.00 23.19 C ATOM 1031 C PHE A 86 -23.709 12.284 1.292 1.00 23.53 C ATOM 1032 O PHE A 86 -22.746 12.999 1.538 1.00 23.81 O ATOM 1033 CB PHE A 86 -22.866 10.441 -0.216 1.00 22.77 C ATOM 1034 CG PHE A 86 -22.029 9.174 -0.176 1.00 20.83 C ATOM 1035 CD1 PHE A 86 -22.227 8.206 0.809 1.00 20.78 C ATOM 1036 CD2 PHE A 86 -21.042 8.949 -1.157 1.00 21.27 C ATOM 1037 CE1 PHE A 86 -21.411 7.022 0.854 1.00 21.71 C ATOM 1038 CE2 PHE A 86 -20.241 7.786 -1.154 1.00 19.68 C ATOM 1039 CZ PHE A 86 -20.431 6.805 -0.141 1.00 21.30 C ATOM 1040 HA PHE A 86 -22.897 10.444 1.935 1.00 0.00 H ATOM 1041 HB2 PHE A 86 -23.643 10.317 -0.971 1.00 0.00 H ATOM 1042 HB3 PHE A 86 -22.219 11.272 -0.496 1.00 0.00 H ATOM 1043 HD2 PHE A 86 -20.893 9.693 -1.939 1.00 0.00 H ATOM 1044 HE2 PHE A 86 -19.482 7.641 -1.923 1.00 0.00 H ATOM 1045 HZ PHE A 86 -19.828 5.897 -0.132 1.00 0.00 H ATOM 1046 HE1 PHE A 86 -21.548 6.294 1.654 1.00 0.00 H ATOM 1047 HD1 PHE A 86 -23.010 8.349 1.554 1.00 0.00 H ATOM 1048 H PHE A 86 -25.332 9.851 0.338 1.00 0.00 H ATOM 1049 N GLY A 87 -24.941 12.766 1.151 1.00 23.71 N ATOM 1050 CA GLY A 87 -25.267 14.173 1.391 1.00 23.51 C ATOM 1051 C GLY A 87 -24.745 15.125 0.326 1.00 23.88 C ATOM 1052 O GLY A 87 -24.484 16.285 0.634 1.00 24.83 O ATOM 1053 HA3 GLY A 87 -24.839 14.465 2.350 1.00 0.00 H ATOM 1054 HA2 GLY A 87 -26.352 14.270 1.435 1.00 0.00 H ATOM 1055 H GLY A 87 -25.701 12.119 0.859 1.00 0.00 H ATOM 1056 N VAL A 88 -24.565 14.626 -0.908 1.00 23.57 N ATOM 1057 CA VAL A 88 -24.030 15.402 -2.057 1.00 22.74 C ATOM 1058 C VAL A 88 -24.721 14.934 -3.340 1.00 22.49 C ATOM 1059 O VAL A 88 -25.186 13.784 -3.401 1.00 24.06 O ATOM 1060 CB VAL A 88 -22.468 15.283 -2.218 1.00 22.81 C ATOM 1061 CG1 VAL A 88 -21.756 15.815 -0.971 1.00 22.24 C ATOM 1062 CG2 VAL A 88 -22.040 13.825 -2.581 1.00 21.31 C ATOM 1063 HA VAL A 88 -24.240 16.454 -1.862 1.00 0.00 H ATOM 1064 HB VAL A 88 -22.158 15.908 -3.056 1.00 0.00 H ATOM 1065 HG11 VAL A 88 -22.018 16.863 -0.824 1.00 0.00 H ATOM 1066 HG12 VAL A 88 -22.067 15.236 -0.102 1.00 0.00 H ATOM 1067 HG13 VAL A 88 -20.678 15.724 -1.103 1.00 0.00 H ATOM 1068 HG21 VAL A 88 -22.359 13.146 -1.790 1.00 0.00 H ATOM 1069 HG22 VAL A 88 -22.508 13.534 -3.521 1.00 0.00 H ATOM 1070 HG23 VAL A 88 -20.956 13.781 -2.684 1.00 0.00 H ATOM 1071 H VAL A 88 -24.817 13.630 -1.070 1.00 0.00 H ATOM 1072 N PRO A 89 -24.855 15.831 -4.335 1.00 21.75 N ATOM 1073 CA PRO A 89 -25.457 15.493 -5.625 1.00 21.59 C ATOM 1074 C PRO A 89 -24.503 14.814 -6.601 1.00 21.60 C ATOM 1075 O PRO A 89 -24.949 14.183 -7.551 1.00 20.97 O ATOM 1076 CB PRO A 89 -25.853 16.869 -6.185 1.00 22.22 C ATOM 1077 CG PRO A 89 -24.830 17.808 -5.625 1.00 20.98 C ATOM 1078 CD PRO A 89 -24.517 17.278 -4.251 1.00 20.92 C ATOM 1079 HA PRO A 89 -26.272 14.781 -5.497 1.00 0.00 H ATOM 1080 HD3 PRO A 89 -23.462 17.416 -4.013 1.00 0.00 H ATOM 1081 HD2 PRO A 89 -25.126 17.775 -3.496 1.00 0.00 H ATOM 1082 HG3 PRO A 89 -25.233 18.819 -5.562 1.00 0.00 H ATOM 1083 HG2 PRO A 89 -23.934 17.813 -6.246 1.00 0.00 H ATOM 1084 HB2 PRO A 89 -25.819 16.867 -7.274 1.00 0.00 H ATOM 1085 HB3 PRO A 89 -26.854 17.147 -5.854 1.00 0.00 H ATOM 1086 N SER A 90 -23.204 14.973 -6.368 1.00 21.80 N ATOM 1087 CA SER A 90 -22.173 14.343 -7.181 1.00 21.90 C ATOM 1088 C SER A 90 -20.900 14.301 -6.374 1.00 21.72 C ATOM 1089 O SER A 90 -20.745 15.066 -5.414 1.00 21.29 O ATOM 1090 CB SER A 90 -21.926 15.141 -8.480 1.00 21.37 C ATOM 1091 OG SER A 90 -21.169 16.310 -8.193 1.00 22.51 O ATOM 1092 HA SER A 90 -22.496 13.339 -7.456 1.00 0.00 H ATOM 1093 HB2 SER A 90 -22.883 15.428 -8.916 1.00 0.00 H ATOM 1094 HB3 SER A 90 -21.377 14.519 -9.188 1.00 0.00 H ATOM 1095 HG SER A 90 -21.668 16.875 -7.551 1.00 0.00 H ATOM 1096 H SER A 90 -22.911 15.573 -5.571 1.00 0.00 H ATOM 1097 N PHE A 91 -19.988 13.417 -6.764 1.00 22.09 N ATOM 1098 CA PHE A 91 -18.624 13.426 -6.194 1.00 22.50 C ATOM 1099 C PHE A 91 -17.599 12.867 -7.172 1.00 22.64 C ATOM 1100 O PHE A 91 -17.946 12.133 -8.096 1.00 22.84 O ATOM 1101 CB PHE A 91 -18.543 12.698 -4.817 1.00 21.67 C ATOM 1102 CG PHE A 91 -18.907 11.228 -4.861 1.00 21.91 C ATOM 1103 CD1 PHE A 91 -17.918 10.246 -5.055 1.00 20.25 C ATOM 1104 CD2 PHE A 91 -20.229 10.817 -4.687 1.00 20.54 C ATOM 1105 CE1 PHE A 91 -18.232 8.887 -5.074 1.00 19.49 C ATOM 1106 CE2 PHE A 91 -20.566 9.448 -4.719 1.00 22.87 C ATOM 1107 CZ PHE A 91 -19.566 8.482 -4.908 1.00 20.29 C ATOM 1108 HA PHE A 91 -18.378 14.472 -6.014 1.00 0.00 H ATOM 1109 HB2 PHE A 91 -17.522 12.785 -4.445 1.00 0.00 H ATOM 1110 HB3 PHE A 91 -19.224 13.197 -4.127 1.00 0.00 H ATOM 1111 HD2 PHE A 91 -21.009 11.561 -4.525 1.00 0.00 H ATOM 1112 HE2 PHE A 91 -21.604 9.140 -4.597 1.00 0.00 H ATOM 1113 HZ PHE A 91 -19.823 7.423 -4.926 1.00 0.00 H ATOM 1114 HE1 PHE A 91 -17.447 8.144 -5.217 1.00 0.00 H ATOM 1115 HD1 PHE A 91 -16.882 10.555 -5.194 1.00 0.00 H ATOM 1116 H PHE A 91 -20.238 12.707 -7.482 1.00 0.00 H ATOM 1117 N SER A 92 -16.331 13.233 -6.968 1.00 23.75 N ATOM 1118 CA SER A 92 -15.235 12.746 -7.818 1.00 23.06 C ATOM 1119 C SER A 92 -14.651 11.433 -7.307 1.00 23.34 C ATOM 1120 O SER A 92 -14.364 11.325 -6.116 1.00 23.36 O ATOM 1121 CB SER A 92 -14.122 13.789 -7.875 1.00 23.05 C ATOM 1122 OG SER A 92 -12.970 13.212 -8.458 1.00 22.64 O ATOM 1123 HA SER A 92 -15.650 12.572 -8.811 1.00 0.00 H ATOM 1124 HB2 SER A 92 -13.889 14.128 -6.866 1.00 0.00 H ATOM 1125 HB3 SER A 92 -14.448 14.638 -8.476 1.00 0.00 H ATOM 1126 HG SER A 92 -12.247 13.887 -8.496 1.00 0.00 H ATOM 1127 H SER A 92 -16.113 13.882 -6.185 1.00 0.00 H ATOM 1128 N VAL A 93 -14.452 10.457 -8.211 1.00 22.93 N ATOM 1129 CA VAL A 93 -13.856 9.165 -7.874 1.00 22.77 C ATOM 1130 C VAL A 93 -12.382 9.281 -7.515 1.00 23.00 C ATOM 1131 O VAL A 93 -11.816 8.385 -6.891 1.00 21.89 O ATOM 1132 CB VAL A 93 -13.999 8.089 -9.005 1.00 23.46 C ATOM 1133 CG1 VAL A 93 -15.460 7.806 -9.334 1.00 23.28 C ATOM 1134 CG2 VAL A 93 -13.210 8.466 -10.265 1.00 24.49 C ATOM 1135 HA VAL A 93 -14.426 8.833 -7.006 1.00 0.00 H ATOM 1136 HB VAL A 93 -13.564 7.169 -8.616 1.00 0.00 H ATOM 1137 HG11 VAL A 93 -15.967 7.436 -8.443 1.00 0.00 H ATOM 1138 HG12 VAL A 93 -15.940 8.725 -9.672 1.00 0.00 H ATOM 1139 HG13 VAL A 93 -15.515 7.055 -10.122 1.00 0.00 H ATOM 1140 HG21 VAL A 93 -13.578 9.416 -10.652 1.00 0.00 H ATOM 1141 HG22 VAL A 93 -12.153 8.559 -10.016 1.00 0.00 H ATOM 1142 HG23 VAL A 93 -13.340 7.690 -11.019 1.00 0.00 H ATOM 1143 H VAL A 93 -14.736 10.630 -9.197 1.00 0.00 H ATOM 1144 N LYS A 94 -11.776 10.387 -7.920 1.00 23.24 N ATOM 1145 CA LYS A 94 -10.365 10.671 -7.642 1.00 23.72 C ATOM 1146 C LYS A 94 -10.177 11.294 -6.257 1.00 23.47 C ATOM 1147 O LYS A 94 -9.057 11.454 -5.802 1.00 22.85 O ATOM 1148 CB LYS A 94 -9.843 11.644 -8.685 1.00 24.01 C ATOM 1149 CG LYS A 94 -9.975 11.129 -10.125 1.00 26.81 C ATOM 1150 CD LYS A 94 -8.887 10.069 -10.430 1.00 34.54 C ATOM 1151 CE LYS A 94 -8.893 9.669 -11.905 1.00 37.43 C ATOM 1152 NZ LYS A 94 -7.555 9.143 -12.382 1.00 40.13 N ATOM 1153 HA LYS A 94 -9.818 9.729 -7.674 1.00 0.00 H ATOM 1154 HB2 LYS A 94 -10.403 12.575 -8.599 1.00 0.00 H ATOM 1155 HB3 LYS A 94 -8.789 11.835 -8.482 1.00 0.00 H ATOM 1156 HG2 LYS A 94 -10.959 10.680 -10.256 1.00 0.00 H ATOM 1157 HG3 LYS A 94 -9.864 11.965 -10.816 1.00 0.00 H ATOM 1158 HD2 LYS A 94 -7.910 10.481 -10.178 1.00 0.00 H ATOM 1159 HD3 LYS A 94 -9.074 9.184 -9.822 1.00 0.00 H ATOM 1160 HE2 LYS A 94 -9.155 10.543 -12.501 1.00 0.00 H ATOM 1161 HE3 LYS A 94 -9.644 8.893 -12.051 1.00 0.00 H ATOM 1162 HZ1 LYS A 94 -6.830 9.878 -12.257 1.00 0.00 H ATOM 1163 HZ2 LYS A 94 -7.297 8.302 -11.827 1.00 0.00 H ATOM 1164 HZ3 LYS A 94 -7.623 8.889 -13.388 1.00 0.00 H ATOM 1165 H LYS A 94 -12.326 11.085 -8.460 1.00 0.00 H ATOM 1166 N GLU A 95 -11.268 11.650 -5.588 1.00 22.16 N ATOM 1167 CA GLU A 95 -11.150 12.233 -4.259 1.00 22.83 C ATOM 1168 C GLU A 95 -11.478 11.208 -3.170 1.00 22.37 C ATOM 1169 O GLU A 95 -12.612 11.115 -2.669 1.00 21.77 O ATOM 1170 CB GLU A 95 -11.967 13.528 -4.165 1.00 23.33 C ATOM 1171 CG GLU A 95 -11.394 14.599 -5.107 1.00 23.20 C ATOM 1172 CD GLU A 95 -12.194 15.896 -5.179 1.00 25.96 C ATOM 1173 OE1 GLU A 95 -13.359 15.962 -4.724 1.00 27.08 O ATOM 1174 OE2 GLU A 95 -11.628 16.873 -5.715 1.00 31.06 O ATOM 1175 HA GLU A 95 -10.112 12.516 -4.083 1.00 0.00 H ATOM 1176 HB2 GLU A 95 -13.000 13.321 -4.444 1.00 0.00 H ATOM 1177 HB3 GLU A 95 -11.936 13.898 -3.140 1.00 0.00 H ATOM 1178 HG2 GLU A 95 -10.387 14.842 -4.769 1.00 0.00 H ATOM 1179 HG3 GLU A 95 -11.347 14.176 -6.110 1.00 0.00 H ATOM 1180 H GLU A 95 -12.207 11.512 -6.014 1.00 0.00 H ATOM 1181 N HIS A 96 -10.461 10.417 -2.845 1.00 22.27 N ATOM 1182 CA HIS A 96 -10.622 9.228 -2.041 1.00 22.33 C ATOM 1183 C HIS A 96 -10.965 9.493 -0.595 1.00 21.99 C ATOM 1184 O HIS A 96 -11.847 8.830 -0.032 1.00 22.41 O ATOM 1185 CB HIS A 96 -9.352 8.373 -2.109 1.00 23.22 C ATOM 1186 CG HIS A 96 -9.026 7.902 -3.488 1.00 26.06 C ATOM 1187 ND1 HIS A 96 -7.791 7.388 -3.825 1.00 29.98 N ATOM 1188 CD2 HIS A 96 -9.765 7.894 -4.625 1.00 26.79 C ATOM 1189 CE1 HIS A 96 -7.790 7.071 -5.111 1.00 31.33 C ATOM 1190 NE2 HIS A 96 -8.977 7.366 -5.618 1.00 28.52 N ATOM 1191 HA HIS A 96 -11.475 8.701 -2.468 1.00 0.00 H ATOM 1192 HB2 HIS A 96 -8.516 8.967 -1.740 1.00 0.00 H ATOM 1193 HB3 HIS A 96 -9.488 7.501 -1.469 1.00 0.00 H ATOM 1194 HD2 HIS A 96 -10.793 8.242 -4.731 1.00 0.00 H ATOM 1195 HE1 HIS A 96 -6.953 6.640 -5.660 1.00 0.00 H ATOM 1196 H HIS A 96 -9.509 10.664 -3.184 1.00 0.00 H ATOM 1197 N ARG A 97 -10.255 10.432 0.018 1.00 20.33 N ATOM 1198 CA ARG A 97 -10.486 10.739 1.416 1.00 20.31 C ATOM 1199 C ARG A 97 -11.929 11.195 1.636 1.00 20.40 C ATOM 1200 O ARG A 97 -12.575 10.817 2.624 1.00 19.82 O ATOM 1201 CB ARG A 97 -9.468 11.765 1.927 1.00 20.06 C ATOM 1202 CG ARG A 97 -8.007 11.222 1.992 1.00 20.73 C ATOM 1203 CD ARG A 97 -7.031 12.275 2.605 1.00 20.04 C ATOM 1204 NE ARG A 97 -7.304 13.568 2.012 1.00 22.36 N ATOM 1205 CZ ARG A 97 -7.056 14.741 2.581 1.00 23.46 C ATOM 1206 NH1 ARG A 97 -6.491 14.791 3.779 1.00 21.84 N ATOM 1207 NH2 ARG A 97 -7.371 15.871 1.930 1.00 23.34 N ATOM 1208 HA ARG A 97 -10.342 9.831 2.001 1.00 0.00 H ATOM 1209 HB2 ARG A 97 -9.485 12.628 1.261 1.00 0.00 H ATOM 1210 HB3 ARG A 97 -9.765 12.075 2.929 1.00 0.00 H ATOM 1211 HG2 ARG A 97 -7.990 10.323 2.608 1.00 0.00 H ATOM 1212 HG3 ARG A 97 -7.675 10.976 0.983 1.00 0.00 H ATOM 1213 HD2 ARG A 97 -6.001 11.986 2.395 1.00 0.00 H ATOM 1214 HD3 ARG A 97 -7.180 12.328 3.684 1.00 0.00 H ATOM 1215 HE ARG A 97 -7.729 13.578 1.063 1.00 0.00 H ATOM 1216 HH12 ARG A 97 -6.297 15.711 4.224 1.00 0.00 H ATOM 1217 HH11 ARG A 97 -6.242 13.911 4.274 1.00 0.00 H ATOM 1218 HH22 ARG A 97 -7.180 16.794 2.369 1.00 0.00 H ATOM 1219 HH21 ARG A 97 -7.806 15.824 0.987 1.00 0.00 H ATOM 1220 H ARG A 97 -9.526 10.953 -0.510 1.00 0.00 H ATOM 1221 N LYS A 98 -12.448 11.989 0.707 1.00 19.36 N ATOM 1222 CA LYS A 98 -13.844 12.447 0.834 1.00 21.05 C ATOM 1223 C LYS A 98 -14.801 11.286 0.695 1.00 20.75 C ATOM 1224 O LYS A 98 -15.840 11.254 1.356 1.00 22.28 O ATOM 1225 CB LYS A 98 -14.177 13.445 -0.268 1.00 20.51 C ATOM 1226 CG LYS A 98 -13.066 14.338 -0.456 1.00 24.24 C ATOM 1227 CD LYS A 98 -13.419 15.691 -0.141 1.00 29.02 C ATOM 1228 CE LYS A 98 -13.440 16.403 -1.413 1.00 28.42 C ATOM 1229 NZ LYS A 98 -12.663 17.614 -1.099 1.00 33.23 N ATOM 1230 HA LYS A 98 -13.947 12.909 1.816 1.00 0.00 H ATOM 1231 HB2 LYS A 98 -14.374 12.909 -1.197 1.00 0.00 H ATOM 1232 HB3 LYS A 98 -15.060 14.018 0.014 1.00 0.00 H ATOM 1233 HG2 LYS A 98 -12.247 14.026 0.192 1.00 0.00 H ATOM 1234 HG3 LYS A 98 -12.744 14.289 -1.496 1.00 0.00 H ATOM 1235 HD2 LYS A 98 -14.401 15.727 0.331 1.00 0.00 H ATOM 1236 HD3 LYS A 98 -12.679 16.131 0.528 1.00 0.00 H ATOM 1237 HE2 LYS A 98 -14.458 16.652 -1.711 1.00 0.00 H ATOM 1238 HE3 LYS A 98 -12.964 15.820 -2.201 1.00 0.00 H ATOM 1239 HZ1 LYS A 98 -13.132 18.136 -0.332 1.00 0.00 H ATOM 1240 HZ2 LYS A 98 -11.705 17.342 -0.800 1.00 0.00 H ATOM 1241 HZ3 LYS A 98 -12.605 18.216 -1.945 1.00 0.00 H ATOM 1242 H LYS A 98 -11.873 12.287 -0.107 1.00 0.00 H ATOM 1243 N ILE A 99 -14.483 10.354 -0.201 1.00 19.96 N ATOM 1244 CA ILE A 99 -15.307 9.135 -0.297 1.00 19.95 C ATOM 1245 C ILE A 99 -15.332 8.442 1.079 1.00 19.88 C ATOM 1246 O ILE A 99 -16.387 8.005 1.547 1.00 19.47 O ATOM 1247 CB ILE A 99 -14.785 8.172 -1.404 1.00 19.99 C ATOM 1248 CG1 ILE A 99 -15.086 8.767 -2.799 1.00 21.36 C ATOM 1249 CG2 ILE A 99 -15.410 6.781 -1.223 1.00 20.38 C ATOM 1250 CD1 ILE A 99 -14.532 7.975 -3.993 1.00 21.42 C ATOM 1251 HA ILE A 99 -16.321 9.414 -0.583 1.00 0.00 H ATOM 1252 HB ILE A 99 -13.704 8.060 -1.319 1.00 0.00 H ATOM 1253 HG12 ILE A 99 -16.168 8.829 -2.911 1.00 0.00 H ATOM 1254 HG13 ILE A 99 -14.660 9.770 -2.835 1.00 0.00 H ATOM 1255 HD11 ILE A 99 -13.447 7.912 -3.914 1.00 0.00 H ATOM 1256 HD12 ILE A 99 -14.956 6.971 -3.990 1.00 0.00 H ATOM 1257 HD13 ILE A 99 -14.801 8.482 -4.920 1.00 0.00 H ATOM 1258 HG21 ILE A 99 -15.138 6.386 -0.244 1.00 0.00 H ATOM 1259 HG22 ILE A 99 -16.495 6.859 -1.296 1.00 0.00 H ATOM 1260 HG23 ILE A 99 -15.040 6.114 -2.001 1.00 0.00 H ATOM 1261 H ILE A 99 -13.662 10.484 -0.826 1.00 0.00 H ATOM 1262 N TYR A 100 -14.170 8.326 1.725 1.00 19.22 N ATOM 1263 CA TYR A 100 -14.139 7.699 3.058 1.00 20.18 C ATOM 1264 C TYR A 100 -14.883 8.500 4.083 1.00 19.46 C ATOM 1265 O TYR A 100 -15.466 7.913 4.988 1.00 19.38 O ATOM 1266 CB TYR A 100 -12.728 7.444 3.569 1.00 20.77 C ATOM 1267 CG TYR A 100 -11.796 6.778 2.574 1.00 21.75 C ATOM 1268 CD1 TYR A 100 -10.449 7.151 2.515 1.00 22.48 C ATOM 1269 CD2 TYR A 100 -12.248 5.786 1.705 1.00 22.04 C ATOM 1270 CE1 TYR A 100 -9.582 6.557 1.608 1.00 23.84 C ATOM 1271 CE2 TYR A 100 -11.375 5.175 0.790 1.00 23.30 C ATOM 1272 CZ TYR A 100 -10.048 5.579 0.756 1.00 23.45 C ATOM 1273 OH TYR A 100 -9.155 5.019 -0.138 1.00 23.75 O ATOM 1274 HA TYR A 100 -14.635 6.739 2.919 1.00 0.00 H ATOM 1275 HB3 TYR A 100 -12.797 6.804 4.449 1.00 0.00 H ATOM 1276 HB2 TYR A 100 -12.292 8.402 3.852 1.00 0.00 H ATOM 1277 HD2 TYR A 100 -13.294 5.480 1.736 1.00 0.00 H ATOM 1278 HE2 TYR A 100 -11.734 4.396 0.117 1.00 0.00 H ATOM 1279 HE1 TYR A 100 -8.537 6.863 1.570 1.00 0.00 H ATOM 1280 HD1 TYR A 100 -10.075 7.919 3.191 1.00 0.00 H ATOM 1281 HH TYR A 100 -8.263 5.431 -0.014 1.00 0.00 H ATOM 1282 H TYR A 100 -13.292 8.676 1.290 1.00 0.00 H ATOM 1283 N THR A 101 -14.832 9.832 3.967 1.00 20.48 N ATOM 1284 CA THR A 101 -15.590 10.722 4.877 1.00 20.86 C ATOM 1285 C THR A 101 -17.087 10.391 4.783 1.00 22.20 C ATOM 1286 O THR A 101 -17.765 10.171 5.797 1.00 23.38 O ATOM 1287 CB THR A 101 -15.384 12.207 4.530 1.00 20.72 C ATOM 1288 OG1 THR A 101 -14.044 12.588 4.854 1.00 20.69 O ATOM 1289 CG2 THR A 101 -16.343 13.093 5.317 1.00 20.52 C ATOM 1290 HA THR A 101 -15.220 10.555 5.889 1.00 0.00 H ATOM 1291 HB THR A 101 -15.575 12.336 3.465 1.00 0.00 H ATOM 1292 HG1 THR A 101 -13.410 12.035 4.333 1.00 0.00 H ATOM 1293 HG23 THR A 101 -17.370 12.814 5.081 1.00 0.00 H ATOM 1294 HG21 THR A 101 -16.166 12.960 6.384 1.00 0.00 H ATOM 1295 HG22 THR A 101 -16.177 14.136 5.047 1.00 0.00 H ATOM 1296 H THR A 101 -14.245 10.253 3.219 1.00 0.00 H ATOM 1297 N MET A 102 -17.590 10.356 3.555 1.00 22.11 N ATOM 1298 CA MET A 102 -19.009 10.113 3.311 1.00 22.48 C ATOM 1299 C MET A 102 -19.432 8.735 3.787 1.00 22.54 C ATOM 1300 O MET A 102 -20.521 8.586 4.355 1.00 23.55 O ATOM 1301 CB MET A 102 -19.335 10.361 1.839 1.00 22.24 C ATOM 1302 CG MET A 102 -19.001 11.806 1.394 1.00 21.31 C ATOM 1303 SD MET A 102 -19.447 12.186 -0.322 1.00 24.06 S ATOM 1304 CE MET A 102 -18.195 11.296 -1.284 1.00 22.36 C ATOM 1305 HA MET A 102 -19.594 10.819 3.900 1.00 0.00 H ATOM 1306 HB2 MET A 102 -18.758 9.665 1.231 1.00 0.00 H ATOM 1307 HB3 MET A 102 -20.399 10.183 1.681 1.00 0.00 H ATOM 1308 HG2 MET A 102 -17.928 11.959 1.509 1.00 0.00 H ATOM 1309 HG3 MET A 102 -19.537 12.496 2.046 1.00 0.00 H ATOM 1310 HE1 MET A 102 -17.204 11.665 -1.019 1.00 0.00 H ATOM 1311 HE2 MET A 102 -18.258 10.231 -1.063 1.00 0.00 H ATOM 1312 HE3 MET A 102 -18.372 11.459 -2.347 1.00 0.00 H ATOM 1313 H MET A 102 -16.956 10.506 2.744 1.00 0.00 H ATOM 1314 N ILE A 103 -18.568 7.730 3.609 1.00 22.70 N ATOM 1315 CA ILE A 103 -18.875 6.388 4.121 1.00 22.75 C ATOM 1316 C ILE A 103 -18.944 6.408 5.654 1.00 23.48 C ATOM 1317 O ILE A 103 -19.865 5.843 6.253 1.00 23.47 O ATOM 1318 CB ILE A 103 -17.814 5.345 3.688 1.00 22.34 C ATOM 1319 CG1 ILE A 103 -17.828 5.177 2.161 1.00 20.85 C ATOM 1320 CG2 ILE A 103 -18.053 4.030 4.437 1.00 22.47 C ATOM 1321 CD1 ILE A 103 -16.793 4.157 1.632 1.00 22.91 C ATOM 1322 HA ILE A 103 -19.838 6.100 3.700 1.00 0.00 H ATOM 1323 HB ILE A 103 -16.815 5.691 3.953 1.00 0.00 H ATOM 1324 HG12 ILE A 103 -18.822 4.844 1.861 1.00 0.00 H ATOM 1325 HG13 ILE A 103 -17.618 6.146 1.707 1.00 0.00 H ATOM 1326 HD11 ILE A 103 -15.790 4.480 1.912 1.00 0.00 H ATOM 1327 HD12 ILE A 103 -16.995 3.178 2.066 1.00 0.00 H ATOM 1328 HD13 ILE A 103 -16.867 4.096 0.546 1.00 0.00 H ATOM 1329 HG21 ILE A 103 -17.974 4.205 5.510 1.00 0.00 H ATOM 1330 HG22 ILE A 103 -19.049 3.655 4.201 1.00 0.00 H ATOM 1331 HG23 ILE A 103 -17.306 3.298 4.131 1.00 0.00 H ATOM 1332 H ILE A 103 -17.674 7.899 3.105 1.00 0.00 H ATOM 1333 N TYR A 104 -17.971 7.081 6.273 1.00 23.45 N ATOM 1334 CA TYR A 104 -17.881 7.154 7.718 1.00 23.81 C ATOM 1335 C TYR A 104 -19.042 7.862 8.378 1.00 23.99 C ATOM 1336 O TYR A 104 -19.344 7.564 9.526 1.00 24.27 O ATOM 1337 CB TYR A 104 -16.520 7.721 8.192 1.00 23.21 C ATOM 1338 CG TYR A 104 -15.553 6.603 8.524 1.00 23.54 C ATOM 1339 CD1 TYR A 104 -15.336 6.216 9.853 1.00 24.54 C ATOM 1340 CD2 TYR A 104 -14.904 5.902 7.515 1.00 22.24 C ATOM 1341 CE1 TYR A 104 -14.474 5.175 10.161 1.00 24.01 C ATOM 1342 CE2 TYR A 104 -14.038 4.844 7.805 1.00 24.25 C ATOM 1343 CZ TYR A 104 -13.837 4.482 9.139 1.00 25.85 C ATOM 1344 OH TYR A 104 -12.974 3.447 9.440 1.00 26.26 O ATOM 1345 HA TYR A 104 -17.945 6.119 8.053 1.00 0.00 H ATOM 1346 HB3 TYR A 104 -16.678 8.332 9.081 1.00 0.00 H ATOM 1347 HB2 TYR A 104 -16.095 8.337 7.400 1.00 0.00 H ATOM 1348 HD2 TYR A 104 -15.074 6.183 6.476 1.00 0.00 H ATOM 1349 HE2 TYR A 104 -13.528 4.310 7.003 1.00 0.00 H ATOM 1350 HE1 TYR A 104 -14.297 4.901 11.201 1.00 0.00 H ATOM 1351 HD1 TYR A 104 -15.853 6.741 10.656 1.00 0.00 H ATOM 1352 HH TYR A 104 -12.068 3.667 9.107 1.00 0.00 H ATOM 1353 H TYR A 104 -17.254 7.569 5.699 1.00 0.00 H ATOM 1354 N ARG A 105 -19.709 8.771 7.667 1.00 24.59 N ATOM 1355 CA ARG A 105 -20.917 9.384 8.207 1.00 26.07 C ATOM 1356 C ARG A 105 -22.101 8.420 8.194 1.00 25.98 C ATOM 1357 O ARG A 105 -23.185 8.744 8.668 1.00 25.96 O ATOM 1358 CB ARG A 105 -21.259 10.666 7.440 1.00 27.05 C ATOM 1359 CG ARG A 105 -20.254 11.785 7.731 1.00 31.05 C ATOM 1360 CD ARG A 105 -20.656 13.052 7.018 1.00 36.17 C ATOM 1361 NE ARG A 105 -19.679 14.114 7.242 1.00 37.92 N ATOM 1362 CZ ARG A 105 -19.127 14.828 6.272 1.00 40.26 C ATOM 1363 NH1 ARG A 105 -19.460 14.603 4.989 1.00 40.36 N ATOM 1364 NH2 ARG A 105 -18.240 15.772 6.593 1.00 40.80 N ATOM 1365 HA ARG A 105 -20.716 9.639 9.248 1.00 0.00 H ATOM 1366 HB2 ARG A 105 -21.250 10.452 6.371 1.00 0.00 H ATOM 1367 HB3 ARG A 105 -22.254 10.999 7.734 1.00 0.00 H ATOM 1368 HG2 ARG A 105 -20.224 11.971 8.805 1.00 0.00 H ATOM 1369 HG3 ARG A 105 -19.266 11.478 7.389 1.00 0.00 H ATOM 1370 HD2 ARG A 105 -21.627 13.377 7.390 1.00 0.00 H ATOM 1371 HD3 ARG A 105 -20.726 12.852 5.949 1.00 0.00 H ATOM 1372 HE ARG A 105 -19.400 14.322 8.222 1.00 0.00 H ATOM 1373 HH12 ARG A 105 -19.023 15.167 4.232 1.00 0.00 H ATOM 1374 HH11 ARG A 105 -20.154 13.865 4.754 1.00 0.00 H ATOM 1375 HH22 ARG A 105 -17.795 16.343 5.846 1.00 0.00 H ATOM 1376 HH21 ARG A 105 -17.993 15.936 7.590 1.00 0.00 H ATOM 1377 H ARG A 105 -19.367 9.044 6.724 1.00 0.00 H ATOM 1378 N ASN A 106 -21.880 7.239 7.640 1.00 25.32 N ATOM 1379 CA ASN A 106 -22.921 6.221 7.535 1.00 25.09 C ATOM 1380 C ASN A 106 -22.515 4.955 8.257 1.00 24.71 C ATOM 1381 O ASN A 106 -22.924 3.860 7.872 1.00 24.92 O ATOM 1382 CB ASN A 106 -23.176 5.937 6.061 1.00 24.51 C ATOM 1383 CG ASN A 106 -23.907 7.062 5.402 1.00 26.24 C ATOM 1384 OD1 ASN A 106 -25.135 7.115 5.472 1.00 25.83 O ATOM 1385 ND2 ASN A 106 -23.168 7.989 4.771 1.00 22.44 N ATOM 1386 HA ASN A 106 -23.834 6.587 8.005 1.00 0.00 H ATOM 1387 HB2 ASN A 106 -22.220 5.793 5.558 1.00 0.00 H ATOM 1388 HB3 ASN A 106 -23.772 5.028 5.973 1.00 0.00 H ATOM 1389 HD22 ASN A 106 -22.133 7.897 4.741 1.00 0.00 H ATOM 1390 HD21 ASN A 106 -23.631 8.799 4.312 1.00 0.00 H ATOM 1391 H ASN A 106 -20.932 7.029 7.267 1.00 0.00 H ATOM 1392 N LEU A 107 -21.691 5.124 9.291 1.00 24.07 N ATOM 1393 CA LEU A 107 -21.138 4.013 10.061 1.00 25.05 C ATOM 1394 C LEU A 107 -21.507 4.167 11.530 1.00 25.97 C ATOM 1395 O LEU A 107 -21.762 5.265 12.004 1.00 25.87 O ATOM 1396 CB LEU A 107 -19.614 3.897 9.892 1.00 23.81 C ATOM 1397 CG LEU A 107 -18.990 3.497 8.556 1.00 23.85 C ATOM 1398 CD1 LEU A 107 -17.486 3.318 8.787 1.00 24.93 C ATOM 1399 CD2 LEU A 107 -19.586 2.221 7.890 1.00 24.47 C ATOM 1400 HA LEU A 107 -21.572 3.090 9.676 1.00 0.00 H ATOM 1401 HB2 LEU A 107 -19.200 4.873 10.146 1.00 0.00 H ATOM 1402 HB3 LEU A 107 -19.278 3.161 10.622 1.00 0.00 H ATOM 1403 HG LEU A 107 -19.216 4.295 7.849 1.00 0.00 H ATOM 1404 HD21 LEU A 107 -19.455 1.369 8.558 1.00 0.00 H ATOM 1405 HD22 LEU A 107 -20.648 2.375 7.699 1.00 0.00 H ATOM 1406 HD23 LEU A 107 -19.071 2.029 6.949 1.00 0.00 H ATOM 1407 HD11 LEU A 107 -17.060 4.256 9.142 1.00 0.00 H ATOM 1408 HD12 LEU A 107 -17.324 2.539 9.532 1.00 0.00 H ATOM 1409 HD13 LEU A 107 -17.007 3.031 7.851 1.00 0.00 H ATOM 1410 H LEU A 107 -21.429 6.093 9.562 1.00 0.00 H ATOM 1411 N VAL A 108 -21.510 3.045 12.235 1.00 27.51 N ATOM 1412 CA VAL A 108 -22.036 2.950 13.590 1.00 28.22 C ATOM 1413 C VAL A 108 -21.000 2.123 14.406 1.00 28.61 C ATOM 1414 O VAL A 108 -20.193 1.412 13.829 1.00 27.97 O ATOM 1415 CB VAL A 108 -23.494 2.356 13.464 1.00 29.21 C ATOM 1416 CG1 VAL A 108 -23.588 0.897 13.869 1.00 27.91 C ATOM 1417 CG2 VAL A 108 -24.509 3.241 14.093 1.00 27.93 C ATOM 1418 HA VAL A 108 -22.151 3.889 14.132 1.00 0.00 H ATOM 1419 HB VAL A 108 -23.740 2.342 12.402 1.00 0.00 H ATOM 1420 HG11 VAL A 108 -22.935 0.301 13.231 1.00 0.00 H ATOM 1421 HG12 VAL A 108 -23.279 0.789 14.909 1.00 0.00 H ATOM 1422 HG13 VAL A 108 -24.617 0.556 13.757 1.00 0.00 H ATOM 1423 HG21 VAL A 108 -24.279 3.361 15.152 1.00 0.00 H ATOM 1424 HG22 VAL A 108 -24.493 4.215 13.604 1.00 0.00 H ATOM 1425 HG23 VAL A 108 -25.497 2.794 13.983 1.00 0.00 H ATOM 1426 H VAL A 108 -21.116 2.187 11.798 1.00 0.00 H ATOM 1427 N VAL A 109 -20.952 2.283 15.726 1.00 29.81 N ATOM 1428 CA VAL A 109 -19.927 1.592 16.527 1.00 30.69 C ATOM 1429 C VAL A 109 -19.871 0.068 16.259 1.00 31.39 C ATOM 1430 O VAL A 109 -20.890 -0.656 16.203 1.00 31.38 O ATOM 1431 CB VAL A 109 -20.019 1.939 18.053 1.00 30.84 C ATOM 1432 CG1 VAL A 109 -21.382 1.585 18.608 1.00 32.99 C ATOM 1433 CG2 VAL A 109 -18.923 1.221 18.844 1.00 30.86 C ATOM 1434 HA VAL A 109 -18.969 1.984 16.185 1.00 0.00 H ATOM 1435 OXT VAL A 109 -18.770 -0.465 16.043 1.00 31.75 O ATOM 1436 HB VAL A 109 -19.873 3.014 18.158 1.00 0.00 H ATOM 1437 HG11 VAL A 109 -22.148 2.148 18.074 1.00 0.00 H ATOM 1438 HG12 VAL A 109 -21.559 0.517 18.480 1.00 0.00 H ATOM 1439 HG13 VAL A 109 -21.418 1.836 19.668 1.00 0.00 H ATOM 1440 HG21 VAL A 109 -19.035 0.144 18.722 1.00 0.00 H ATOM 1441 HG22 VAL A 109 -17.946 1.531 18.472 1.00 0.00 H ATOM 1442 HG23 VAL A 109 -19.010 1.479 19.899 1.00 0.00 H ATOM 1443 H VAL A 109 -21.644 2.901 16.196 1.00 0.00 H TER 1444 VAL A 109 HETATM 1445 O HOH 1 -25.871 9.765 -16.549 1.00 45.59 O HETATM 1446 O HOH 2 -18.243 0.920 11.970 1.00 23.75 O HETATM 1447 O HOH 3 -31.481 14.701 -9.928 1.00 27.68 O HETATM 1448 O HOH 4 -17.414 -9.403 8.530 1.00 48.38 O HETATM 1449 O HOH 5 -13.922 2.347 12.225 1.00 33.71 O HETATM 1450 O HOH 6 -10.341 5.911 -10.152 1.00 38.44 O HETATM 1451 O HOH 7 -28.996 6.411 7.193 1.00 47.75 O HETATM 1452 O HOH 8 -11.127 3.149 7.673 1.00 35.44 O HETATM 1453 O HOH 9 -15.576 14.635 -4.411 1.00 25.72 O HETATM 1454 O HOH 10 -10.216 -2.603 3.644 1.00 29.85 O HETATM 1455 O HOH 11 -24.654 -3.027 9.660 1.00 28.03 O HETATM 1456 O HOH 12 -27.637 9.664 -11.687 1.00 35.32 O HETATM 1457 O HOH 13 -13.303 6.250 -14.871 1.00 29.37 O HETATM 1458 O HOH 14 -26.900 4.882 6.221 1.00 28.74 O HETATM 1459 O HOH 15 -14.989 12.093 -3.481 1.00 20.48 O HETATM 1460 O HOH 16 -29.506 -1.551 -6.256 1.00 31.19 O HETATM 1461 O HOH 17 -24.651 3.075 17.278 1.00 38.54 O HETATM 1462 O HOH 18 -18.425 -3.059 14.884 1.00 38.96 O HETATM 1463 O HOH 19 -23.843 1.712 -16.198 1.00 40.03 O HETATM 1464 O HOH 20 -12.662 -2.215 -2.951 1.00 29.51 O HETATM 1465 O HOH 21 -12.150 -5.170 13.267 1.00 39.73 O HETATM 1466 O HOH 22 -29.722 4.447 8.372 1.00 35.14 O HETATM 1467 O HOH 23 -30.890 6.682 -9.585 1.00 41.63 O HETATM 1468 O HOH 24 -20.095 11.117 -14.917 1.00 33.94 O HETATM 1469 O HOH 25 -30.899 4.804 -11.703 1.00 46.37 O HETATM 1470 O HOH 26 -17.232 17.926 3.934 1.00 38.21 O HETATM 1471 O HOH 27 -30.919 -2.248 6.530 1.00 31.00 O HETATM 1472 O HOH 28 -18.222 16.419 -8.197 1.00 36.67 O HETATM 1473 O HOH 29 -28.303 -2.401 -8.542 1.00 30.75 O HETATM 1474 O HOH 30 -16.007 18.655 -2.527 1.00 32.19 O HETATM 1475 O HOH 31 -23.666 -0.178 16.901 1.00 42.23 O HETATM 1476 O HOH 32 -21.410 17.966 -6.215 1.00 33.37 O HETATM 1477 O HOH 33 -34.835 10.012 -8.316 1.00 49.54 O HETATM 1478 O HOH 34 -14.872 13.223 -15.330 1.00 39.60 O HETATM 1479 O HOH 35 -20.765 -2.625 18.025 1.00 30.06 O HETATM 1480 O HOH 36 -17.257 15.853 -2.696 1.00 35.29 O HETATM 1481 O HOH 37 -22.045 -10.425 -2.641 1.00 43.98 O HETATM 1482 O HOH 38 -17.777 15.085 0.043 1.00 36.67 O HETATM 1483 O HOH 39 -20.995 18.202 -10.472 1.00 40.03 O HETATM 1484 O HOH 40 -22.560 4.609 16.610 1.00 25.18 O HETATM 1485 O HOH 41 -11.371 -1.827 6.745 1.00 29.58 O HETATM 1486 O HOH 42 -30.284 -6.899 6.709 1.00 50.17 O HETATM 1487 O HOH 43 -7.671 11.212 -2.589 1.00 44.58 O HETATM 1488 O HOH 44 -9.053 7.216 -8.360 1.00 37.71 O HETATM 1489 O HOH 45 -21.434 -10.358 9.920 1.00 39.68 O HETATM 1490 O HOH 46 -7.193 10.048 -14.883 1.00 49.44 O HETATM 1491 O HOH 47 -26.605 9.055 6.439 1.00 38.87 O HETATM 1492 O HOH 48 -12.621 -1.028 -8.341 1.00 31.37 O HETATM 1493 O HOH 49 -23.105 -9.988 -7.957 1.00 37.55 O HETATM 1494 O HOH 50 -21.310 -8.951 -6.124 1.00 30.35 O HETATM 1495 O HOH 51 -17.382 17.426 -5.962 1.00 41.44 O HETATM 1496 O HOH 52 -13.710 12.314 -18.505 1.00 41.29 O HETATM 1497 O HOH 53 -32.420 5.345 -5.040 1.00 33.03 O HETATM 1498 O HOH 54 -16.253 0.176 15.923 1.00 32.36 O HETATM 1499 O HOH 55 -33.676 4.110 -7.985 1.00 44.10 O HETATM 1500 O HOH 56 -19.129 20.072 -6.977 1.00 42.95 O HETATM 1501 O HOH 57 -11.334 -6.723 2.133 1.00 41.85 O HETATM 1502 O HOH 58 -25.142 -4.623 12.841 1.00 44.84 O HETATM 1503 O HOH 59 -28.806 -10.823 3.919 1.00 40.90 O HETATM 1504 O HOH 60 -15.482 0.350 12.944 1.00 36.30 O HETATM 1505 O HOH 61 -9.465 17.133 -3.168 1.00 39.79 O HETATM 1506 O HOH 62 -21.353 15.054 2.617 1.00 37.51 O HETATM 1507 O HOH 63 -26.671 -0.876 11.465 1.00 34.47 O HETATM 1508 O HOH 64 -22.812 -4.118 17.879 1.00 46.44 O HETATM 1509 O HOH 65 -7.485 13.837 -4.440 1.00 35.33 O HETATM 1510 O HOH 66 -15.008 -1.510 -24.205 1.00 29.36 O HETATM 1511 O HOH 67 -8.309 7.421 -14.580 1.00 53.13 O HETATM 1512 O HOH 68 -23.657 12.329 5.217 1.00 43.46 O HETATM 1513 O HOH 69 -30.622 -2.589 9.405 1.00 45.06 O HETATM 1514 O HOH 70 -24.237 6.435 -18.211 1.00 67.13 O HETATM 1515 O HOH 71 -23.800 14.693 5.343 1.00 40.00 O HETATM 1516 O HOH 72 -11.461 -0.831 14.572 1.00 37.60 O HETATM 1517 O HOH 73 -31.813 0.494 -5.812 1.00 42.52 O HETATM 1518 O HOH 74 -28.861 13.975 2.367 1.00 40.59 O HETATM 1519 O HOH 75 -19.489 16.841 -4.057 1.00 37.31 O HETATM 1520 O HOH 76 -29.559 -2.319 -12.812 1.00 45.71 O HETATM 1521 O HOH 77 -20.273 3.747 -21.357 1.00 61.39 O HETATM 1522 O HOH 78 -7.623 14.754 -6.898 1.00 41.20 O HETATM 1523 CL2 LTZ A 79 -11.691 5.159 -2.794 1.00 -0.04 CL HETATM 1524 C30 LTZ A 79 -11.999 4.586 -4.447 1.00 0.07 C HETATM 1525 C29 LTZ A 79 -12.120 3.222 -4.654 1.00 -0.02 C HETATM 1526 C28 LTZ A 79 -12.373 2.763 -5.929 1.00 -0.04 C HETATM 1527 C27 LTZ A 79 -12.504 3.672 -6.993 1.00 -0.02 C HETATM 1528 C32 LTZ A 79 -12.355 5.049 -6.770 1.00 -0.04 C HETATM 1529 C31 LTZ A 79 -12.116 5.514 -5.486 1.00 -0.02 C HETATM 1530 H3 LTZ A 79 -12.022 6.576 -5.292 1.00 0.07 H HETATM 1531 H4 LTZ A 79 -12.426 5.746 -7.597 1.00 0.08 H HETATM 1532 C19 LTZ A 79 -12.771 3.169 -8.386 1.00 0.09 C HETATM 1533 C33 LTZ A 79 -11.631 2.212 -8.756 1.00 -0.06 C HETATM 1534 H5 LTZ A 79 -10.666 2.721 -8.619 1.00 0.02 H HETATM 1535 H6 LTZ A 79 -11.737 1.904 -9.807 1.00 0.02 H HETATM 1536 H7 LTZ A 79 -11.673 1.324 -8.108 1.00 0.02 H HETATM 1537 C20 LTZ A 79 -14.148 2.472 -8.572 1.00 0.07 C HETATM 1538 C21 LTZ A 79 -15.092 3.056 -7.564 1.00 -0.03 C HETATM 1539 C26 LTZ A 79 -15.535 2.285 -6.480 1.00 -0.06 C HETATM 1540 C25 LTZ A 79 -16.386 2.833 -5.520 1.00 -0.05 C HETATM 1541 C24 LTZ A 79 -16.779 4.151 -5.637 1.00 0.03 C HETATM 1542 CL1 LTZ A 79 -17.832 4.880 -4.392 1.00 -0.08 CL HETATM 1543 C23 LTZ A 79 -16.338 4.944 -6.708 1.00 -0.05 C HETATM 1544 C22 LTZ A 79 -15.509 4.384 -7.672 1.00 -0.06 C HETATM 1545 H12 LTZ A 79 -15.183 4.983 -8.515 1.00 0.06 H HETATM 1546 H11 LTZ A 79 -16.641 5.982 -6.782 1.00 0.06 H HETATM 1547 H10 LTZ A 79 -16.735 2.229 -4.690 1.00 0.06 H HETATM 1548 H9 LTZ A 79 -15.213 1.254 -6.387 1.00 0.06 H HETATM 1549 N4 LTZ A 79 -14.414 2.918 -9.953 1.00 -0.26 N HETATM 1550 C17 LTZ A 79 -15.253 2.510 -10.939 1.00 0.13 C HETATM 1551 C34 LTZ A 79 -16.244 1.406 -10.904 1.00 0.03 C HETATM 1552 C36 LTZ A 79 -17.392 1.831 -10.005 1.00 -0.04 C HETATM 1553 H14 LTZ A 79 -18.142 1.027 -9.963 1.00 0.03 H HETATM 1554 H15 LTZ A 79 -17.855 2.744 -10.408 1.00 0.03 H HETATM 1555 H16 LTZ A 79 -17.011 2.030 -8.993 1.00 0.03 H HETATM 1556 C35 LTZ A 79 -15.567 0.115 -10.469 1.00 -0.04 C HETATM 1557 H17 LTZ A 79 -14.751 -0.124 -11.167 1.00 0.03 H HETATM 1558 H18 LTZ A 79 -16.302 -0.703 -10.471 1.00 0.03 H HETATM 1559 H19 LTZ A 79 -15.158 0.239 -9.455 1.00 0.03 H HETATM 1560 H13 LTZ A 79 -16.642 1.251 -11.918 1.00 0.06 H HETATM 1561 C16 LTZ A 79 -15.094 3.392 -12.119 1.00 0.24 C HETATM 1562 S LTZ A 79 -13.886 4.599 -11.889 1.00 0.15 S HETATM 1563 C18 LTZ A 79 -13.659 3.944 -10.316 1.00 0.26 C HETATM 1564 N5 LTZ A 79 -12.817 4.308 -9.319 1.00 -0.26 N HETATM 1565 H20 LTZ A 79 -12.311 5.201 -9.231 1.00 0.21 H HETATM 1566 C15 LTZ A 79 -15.773 3.207 -13.413 1.00 0.29 C HETATM 1567 O3 LTZ A 79 -15.637 2.062 -13.817 1.00 -0.34 O HETATM 1568 N1 LTZ A 79 -16.390 4.138 -14.140 1.00 -0.24 N HETATM 1569 C6 LTZ A 79 -16.731 3.826 -15.524 1.00 0.13 C HETATM 1570 C5 LTZ A 79 -17.343 5.124 -16.015 1.00 -0.01 C HETATM 1571 C4 LTZ A 79 -17.433 6.095 -14.860 1.00 -0.03 C HETATM 1572 C1 LTZ A 79 -16.732 5.474 -13.664 1.00 0.05 C HETATM 1573 C2 LTZ A 79 -17.761 5.308 -12.556 1.00 -0.03 C HETATM 1574 C3 LTZ A 79 -17.847 6.583 -11.750 1.00 -0.06 C HETATM 1575 H29 LTZ A 79 -18.591 6.461 -10.949 1.00 0.02 H HETATM 1576 H30 LTZ A 79 -18.148 7.412 -12.407 1.00 0.02 H HETATM 1577 H31 LTZ A 79 -16.865 6.804 -11.307 1.00 0.02 H HETATM 1578 H27 LTZ A 79 -17.461 4.479 -11.899 1.00 0.03 H HETATM 1579 H28 LTZ A 79 -18.744 5.088 -12.999 1.00 0.03 H HETATM 1580 H26 LTZ A 79 -15.856 6.051 -13.333 1.00 0.06 H HETATM 1581 H24 LTZ A 79 -18.488 6.286 -14.615 1.00 0.03 H HETATM 1582 H25 LTZ A 79 -16.942 7.042 -15.130 1.00 0.03 H HETATM 1583 H22 LTZ A 79 -18.350 4.930 -16.412 1.00 0.03 H HETATM 1584 H23 LTZ A 79 -16.712 5.552 -16.808 1.00 0.03 H HETATM 1585 C7 LTZ A 79 -15.527 3.451 -16.369 1.00 0.20 C HETATM 1586 O1 LTZ A 79 -14.405 3.864 -16.055 1.00 -0.39 O HETATM 1587 N2 LTZ A 79 -15.738 2.647 -17.428 1.00 -0.27 N HETATM 1588 C11 LTZ A 79 -17.053 2.107 -17.764 1.00 0.06 C HETATM 1589 C10 LTZ A 79 -17.455 2.580 -19.166 1.00 0.06 C HETATM 1590 C12 LTZ A 79 -17.815 4.072 -19.256 1.00 -0.04 C HETATM 1591 H35 LTZ A 79 -18.089 4.321 -20.292 1.00 0.03 H HETATM 1592 H36 LTZ A 79 -16.949 4.677 -18.950 1.00 0.03 H HETATM 1593 H37 LTZ A 79 -18.665 4.285 -18.591 1.00 0.03 H HETATM 1594 N3 LTZ A 79 -16.378 2.221 -20.102 1.00 -0.27 N HETATM 1595 C13 LTZ A 79 -16.690 1.561 -21.243 1.00 0.18 C HETATM 1596 C14 LTZ A 79 -18.144 1.353 -21.556 1.00 0.03 C HETATM 1597 H38 LTZ A 79 -18.240 0.807 -22.506 1.00 0.05 H HETATM 1598 H39 LTZ A 79 -18.644 2.329 -21.642 1.00 0.05 H HETATM 1599 H40 LTZ A 79 -18.613 0.771 -20.749 1.00 0.05 H HETATM 1600 O2 LTZ A 79 -15.833 1.147 -22.009 1.00 -0.40 O HETATM 1601 C9 LTZ A 79 -15.027 2.689 -19.722 1.00 0.05 C HETATM 1602 C8 LTZ A 79 -14.665 2.200 -18.321 1.00 0.05 C HETATM 1603 H43 LTZ A 79 -14.595 1.102 -18.309 1.00 0.05 H HETATM 1604 H44 LTZ A 79 -13.704 2.632 -18.005 1.00 0.05 H HETATM 1605 H41 LTZ A 79 -15.007 3.789 -19.738 1.00 0.05 H HETATM 1606 H42 LTZ A 79 -14.293 2.299 -20.442 1.00 0.05 H HETATM 1607 H34 LTZ A 79 -18.356 2.019 -19.456 1.00 0.06 H HETATM 1608 H32 LTZ A 79 -17.793 2.461 -17.031 1.00 0.05 H HETATM 1609 H33 LTZ A 79 -17.014 1.008 -17.745 1.00 0.05 H HETATM 1610 H21 LTZ A 79 -17.463 3.006 -15.563 1.00 0.08 H HETATM 1611 H8 LTZ A 79 -14.109 1.377 -8.481 1.00 0.05 H HETATM 1612 H2 LTZ A 79 -12.471 1.699 -6.111 1.00 0.08 H HETATM 1613 H1 LTZ A 79 -12.018 2.527 -3.828 1.00 0.07 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1523 1524 CONECT 1524 1523 1525 1529 CONECT 1525 1524 1526 1613 CONECT 1526 1525 1527 1612 CONECT 1527 1526 1528 1532 CONECT 1528 1527 1529 1531 CONECT 1529 1524 1528 1530 CONECT 1530 1529 CONECT 1531 1528 CONECT 1532 1527 1533 1537 1564 CONECT 1533 1532 1534 1535 1536 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1533 CONECT 1537 1532 1538 1549 1611 CONECT 1538 1537 1539 1544 CONECT 1539 1538 1540 1548 CONECT 1540 1539 1541 1547 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 1544 1546 CONECT 1544 1538 1543 1545 CONECT 1545 1544 CONECT 1546 1543 CONECT 1547 1540 CONECT 1548 1539 CONECT 1549 1537 1550 1563 CONECT 1550 1549 1551 1561 CONECT 1551 1550 1552 1556 1560 CONECT 1552 1551 1553 1554 1555 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1552 CONECT 1556 1551 1557 1558 1559 CONECT 1557 1556 CONECT 1558 1556 CONECT 1559 1556 CONECT 1560 1551 CONECT 1561 1550 1562 1566 CONECT 1562 1561 1563 CONECT 1563 1549 1562 1564 CONECT 1564 1532 1563 1565 CONECT 1565 1564 CONECT 1566 1561 1567 1568 CONECT 1567 1566 CONECT 1568 1566 1569 1572 CONECT 1569 1568 1570 1585 1610 CONECT 1570 1569 1571 1583 1584 CONECT 1571 1570 1572 1581 1582 CONECT 1572 1568 1571 1573 1580 CONECT 1573 1572 1574 1578 1579 CONECT 1574 1573 1575 1576 1577 CONECT 1575 1574 CONECT 1576 1574 CONECT 1577 1574 CONECT 1578 1573 CONECT 1579 1573 CONECT 1580 1572 CONECT 1581 1571 CONECT 1582 1571 CONECT 1583 1570 CONECT 1584 1570 CONECT 1585 1569 1586 1587 CONECT 1586 1585 CONECT 1587 1585 1588 1602 CONECT 1588 1587 1589 1608 1609 CONECT 1589 1588 1590 1594 1607 CONECT 1590 1589 1591 1592 1593 CONECT 1591 1590 CONECT 1592 1590 CONECT 1593 1590 CONECT 1594 1589 1595 1601 CONECT 1595 1594 1596 1600 CONECT 1596 1595 1597 1598 1599 CONECT 1597 1596 CONECT 1598 1596 CONECT 1599 1596 CONECT 1600 1595 CONECT 1601 1594 1602 1605 1606 CONECT 1602 1587 1601 1603 1604 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1601 CONECT 1606 1601 CONECT 1607 1589 CONECT 1608 1588 CONECT 1609 1588 CONECT 1610 1569 CONECT 1611 1537 CONECT 1612 1526 CONECT 1613 1525 MASTER 0 0 0 0 0 0 0 0 1612 1 95 7 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3w69
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
LTZ
EC.Number
E.C.6.3.2
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=58nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Bioorg.Med.Chem.
Ligand Properties
Formula
C
3
6
H
4
4
Cl
2
N
5
O
3
S
Molecular Weight
697.737
Exact Mass
696.254
No. of atoms
91
No. of bonds
96
Polar Surface Area
106.13
LOGP Value
7.45 (
Computed with XLOGP3
)
7.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
Canonical SMILES
CC[C@@H]1CC[C@H](N1C(=O)c1sc2n(c1C(C)C)[C@@H]([C@](N2)(C)c1ccc(cc1)Cl)c1ccc(cc1)Cl)C(=O)N1CCN([C@@H](C1)C)C(=O)C
InChI String
InChI=1S/C36H44Cl2N5O3S/c1-7-28-16-17-29(33(45)40-18-19-41(23(5)44)22(4)20-40)42(28)34(46)31-30(21(2)3)43-32(24-8-12-26(37)13-9-24)36(6,39-35(43)47-31)25-10-14-27(38)15-11-25/h8-15,21-22,28-29,32,39H,7,16-20H2,1-6H3/t22-,28-,29+,32-,36+/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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