Browse entries in the PDBbind-CN Database
HEADER 4HFZ_COMPLEX COMPND 4HFZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 83 THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU SEQRES 2 A 83 LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS SEQRES 3 A 83 GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS SEQRES 4 A 83 ARG LEU TYR ASP ALA ALA GLN GLN HIS ILE VAL TYR CYS SEQRES 5 A 83 SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SER SEQRES 6 A 83 PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE SEQRES 7 A 83 TYR ARG ASN LEU VAL HET GLU A 113 192 ATOM 1 N THR A 26 20.549 -18.212 3.326 1.00 53.69 N ATOM 2 CA THR A 26 21.142 -19.229 4.185 1.00 54.34 C ATOM 3 C THR A 26 20.087 -20.148 4.786 1.00 50.18 C ATOM 4 O THR A 26 19.048 -19.695 5.241 1.00 46.47 O ATOM 5 CB THR A 26 21.957 -18.596 5.322 1.00 46.76 C ATOM 6 OG1 THR A 26 23.023 -17.818 4.773 1.00 49.66 O ATOM 7 CG2 THR A 26 22.547 -19.670 6.206 1.00 46.57 C ATOM 8 HA THR A 26 21.804 -19.818 3.550 1.00 0.00 H ATOM 9 HB THR A 26 21.295 -17.963 5.912 1.00 0.00 H ATOM 10 HG1 THR A 26 23.546 -17.412 5.509 1.00 0.00 H ATOM 11 HG23 THR A 26 21.743 -20.271 6.631 1.00 0.00 H ATOM 12 HG21 THR A 26 23.204 -20.307 5.613 1.00 0.00 H ATOM 13 HG22 THR A 26 23.118 -19.204 7.009 1.00 0.00 H ATOM 14 HN3 THR A 26 19.889 -17.632 3.882 1.00 0.00 H ATOM 15 HN2 THR A 26 20.036 -18.673 2.548 1.00 0.00 H ATOM 16 HN1 THR A 26 21.300 -17.607 2.937 1.00 0.00 H ATOM 17 N LEU A 27 20.368 -21.444 4.786 1.00 49.99 N ATOM 18 CA LEU A 27 19.455 -22.428 5.340 1.00 44.92 C ATOM 19 C LEU A 27 19.451 -22.353 6.853 1.00 43.21 C ATOM 20 O LEU A 27 20.372 -21.822 7.451 1.00 45.60 O ATOM 21 CB LEU A 27 19.864 -23.826 4.899 1.00 46.09 C ATOM 22 CG LEU A 27 20.073 -24.014 3.401 1.00 48.51 C ATOM 23 CD1 LEU A 27 20.719 -25.349 3.117 1.00 46.76 C ATOM 24 CD2 LEU A 27 18.757 -23.896 2.672 1.00 47.30 C ATOM 25 HA LEU A 27 18.451 -22.213 4.973 1.00 0.00 H ATOM 26 HB2 LEU A 27 20.799 -24.075 5.401 1.00 0.00 H ATOM 27 HB3 LEU A 27 19.085 -24.519 5.218 1.00 0.00 H ATOM 28 HG LEU A 27 20.741 -23.230 3.043 1.00 0.00 H ATOM 29 HD21 LEU A 27 18.072 -24.661 3.036 1.00 0.00 H ATOM 30 HD22 LEU A 27 18.331 -22.909 2.852 1.00 0.00 H ATOM 31 HD23 LEU A 27 18.922 -24.032 1.603 1.00 0.00 H ATOM 32 HD11 LEU A 27 21.686 -25.397 3.618 1.00 0.00 H ATOM 33 HD12 LEU A 27 20.077 -26.148 3.487 1.00 0.00 H ATOM 34 HD13 LEU A 27 20.859 -25.462 2.042 1.00 0.00 H ATOM 35 H LEU A 27 21.269 -21.765 4.377 1.00 0.00 H ATOM 36 N VAL A 28 18.406 -22.888 7.470 1.00 39.55 N ATOM 37 CA VAL A 28 18.304 -22.901 8.918 1.00 35.44 C ATOM 38 C VAL A 28 18.099 -24.319 9.389 1.00 34.63 C ATOM 39 O VAL A 28 17.633 -25.158 8.641 1.00 33.57 O ATOM 40 CB VAL A 28 17.131 -22.051 9.414 1.00 33.27 C ATOM 41 CG1 VAL A 28 17.425 -20.590 9.236 1.00 34.25 C ATOM 42 CG2 VAL A 28 15.866 -22.425 8.692 1.00 31.38 C ATOM 43 HA VAL A 28 19.227 -22.483 9.319 1.00 0.00 H ATOM 44 HB VAL A 28 16.992 -22.246 10.477 1.00 0.00 H ATOM 45 HG11 VAL A 28 18.317 -20.328 9.805 1.00 0.00 H ATOM 46 HG12 VAL A 28 17.592 -20.380 8.179 1.00 0.00 H ATOM 47 HG13 VAL A 28 16.579 -20.004 9.595 1.00 0.00 H ATOM 48 HG21 VAL A 28 15.997 -22.259 7.623 1.00 0.00 H ATOM 49 HG22 VAL A 28 15.643 -23.477 8.873 1.00 0.00 H ATOM 50 HG23 VAL A 28 15.044 -21.810 9.059 1.00 0.00 H ATOM 51 H VAL A 28 17.642 -23.308 6.903 1.00 0.00 H ATOM 52 N ARG A 29 18.444 -24.581 10.639 1.00 34.47 N ATOM 53 CA ARG A 29 18.273 -25.907 11.198 1.00 34.91 C ATOM 54 C ARG A 29 17.279 -25.916 12.348 1.00 35.29 C ATOM 55 O ARG A 29 17.491 -25.280 13.367 1.00 37.84 O ATOM 56 CB ARG A 29 19.611 -26.459 11.662 1.00 36.54 C ATOM 57 CG ARG A 29 19.556 -27.897 12.084 1.00 37.37 C ATOM 58 CD ARG A 29 20.923 -28.398 12.465 1.00 39.96 C ATOM 59 NE ARG A 29 21.876 -28.288 11.368 1.00 40.83 N ATOM 60 CZ ARG A 29 22.085 -29.238 10.466 1.00 42.32 C ATOM 61 NH1 ARG A 29 21.405 -30.372 10.525 1.00 41.81 N ATOM 62 NH2 ARG A 29 22.973 -29.052 9.505 1.00 44.50 N ATOM 63 HA ARG A 29 17.871 -26.544 10.410 1.00 0.00 H ATOM 64 HB2 ARG A 29 20.324 -26.367 10.843 1.00 0.00 H ATOM 65 HB3 ARG A 29 19.954 -25.864 12.509 1.00 0.00 H ATOM 66 HG2 ARG A 29 18.889 -27.992 12.941 1.00 0.00 H ATOM 67 HG3 ARG A 29 19.173 -28.497 11.259 1.00 0.00 H ATOM 68 HD2 ARG A 29 20.844 -29.445 12.758 1.00 0.00 H ATOM 69 HD3 ARG A 29 21.289 -27.812 13.308 1.00 0.00 H ATOM 70 HE ARG A 29 22.427 -27.410 11.287 1.00 0.00 H ATOM 71 HH12 ARG A 29 21.571 -31.115 9.817 1.00 0.00 H ATOM 72 HH11 ARG A 29 20.705 -30.520 11.280 1.00 0.00 H ATOM 73 HH22 ARG A 29 23.137 -29.796 8.798 1.00 0.00 H ATOM 74 HH21 ARG A 29 23.508 -28.161 9.456 1.00 0.00 H ATOM 75 H ARG A 29 18.844 -23.824 11.229 1.00 0.00 H ATOM 76 N PRO A 30 16.194 -26.656 12.180 1.00 34.62 N ATOM 77 CA PRO A 30 15.168 -26.758 13.211 1.00 32.51 C ATOM 78 C PRO A 30 15.581 -27.631 14.381 1.00 33.93 C ATOM 79 O PRO A 30 16.244 -28.642 14.206 1.00 35.39 O ATOM 80 CB PRO A 30 14.013 -27.411 12.465 1.00 31.18 C ATOM 81 CG PRO A 30 14.156 -26.934 11.105 1.00 32.51 C ATOM 82 CD PRO A 30 15.622 -26.821 10.838 1.00 34.56 C ATOM 83 HA PRO A 30 14.943 -25.788 13.653 1.00 0.00 H ATOM 84 HD3 PRO A 30 16.003 -27.722 10.358 1.00 0.00 H ATOM 85 HD2 PRO A 30 15.840 -25.957 10.210 1.00 0.00 H ATOM 86 HG3 PRO A 30 13.679 -25.960 10.997 1.00 0.00 H ATOM 87 HG2 PRO A 30 13.701 -27.640 10.410 1.00 0.00 H ATOM 88 HB2 PRO A 30 14.091 -28.497 12.505 1.00 0.00 H ATOM 89 HB3 PRO A 30 13.056 -27.101 12.885 1.00 0.00 H ATOM 90 N LYS A 31 15.164 -27.219 15.570 1.00 34.70 N ATOM 91 CA LYS A 31 15.380 -27.958 16.818 1.00 35.92 C ATOM 92 C LYS A 31 14.505 -29.199 16.773 1.00 37.23 C ATOM 93 O LYS A 31 13.647 -29.280 15.913 1.00 37.27 O ATOM 94 CB LYS A 31 15.094 -27.065 18.018 1.00 35.19 C ATOM 95 CG LYS A 31 16.206 -26.068 18.269 1.00 36.84 C ATOM 96 CD LYS A 31 15.869 -25.166 19.441 1.00 38.96 C ATOM 97 CE LYS A 31 17.050 -24.240 19.723 1.00 41.61 C ATOM 98 NZ LYS A 31 16.633 -23.195 20.699 1.00 41.24 N ATOM 99 HA LYS A 31 16.419 -28.270 16.924 1.00 0.00 H ATOM 100 HB2 LYS A 31 14.168 -26.520 17.837 1.00 0.00 H ATOM 101 HB3 LYS A 31 14.978 -27.692 18.902 1.00 0.00 H ATOM 102 HG2 LYS A 31 17.127 -26.608 18.487 1.00 0.00 H ATOM 103 HG3 LYS A 31 16.347 -25.457 17.377 1.00 0.00 H ATOM 104 HD2 LYS A 31 14.988 -24.570 19.201 1.00 0.00 H ATOM 105 HD3 LYS A 31 15.665 -25.775 20.322 1.00 0.00 H ATOM 106 HE2 LYS A 31 17.371 -23.765 18.796 1.00 0.00 H ATOM 107 HE3 LYS A 31 17.875 -24.818 20.138 1.00 0.00 H ATOM 108 HZ1 LYS A 31 15.845 -22.645 20.301 1.00 0.00 H ATOM 109 HZ2 LYS A 31 16.327 -23.650 21.583 1.00 0.00 H ATOM 110 HZ3 LYS A 31 17.436 -22.563 20.893 1.00 0.00 H ATOM 111 H LYS A 31 14.652 -26.315 15.621 1.00 0.00 H ATOM 112 N PRO A 32 14.747 -30.213 17.628 1.00 40.76 N ATOM 113 CA PRO A 32 14.041 -31.508 17.383 1.00 41.53 C ATOM 114 C PRO A 32 12.489 -31.504 17.303 1.00 39.68 C ATOM 115 O PRO A 32 11.898 -32.259 16.488 1.00 40.77 O ATOM 116 CB PRO A 32 14.529 -32.374 18.553 1.00 44.28 C ATOM 117 CG PRO A 32 15.942 -31.898 18.744 1.00 44.93 C ATOM 118 CD PRO A 32 15.877 -30.398 18.563 1.00 42.61 C ATOM 119 HA PRO A 32 14.281 -31.858 16.379 1.00 0.00 H ATOM 120 HD3 PRO A 32 15.684 -29.898 19.512 1.00 0.00 H ATOM 121 HD2 PRO A 32 16.804 -30.016 18.135 1.00 0.00 H ATOM 122 HG3 PRO A 32 16.601 -32.346 18.000 1.00 0.00 H ATOM 123 HG2 PRO A 32 16.299 -32.149 19.743 1.00 0.00 H ATOM 124 HB2 PRO A 32 13.931 -32.201 19.448 1.00 0.00 H ATOM 125 HB3 PRO A 32 14.501 -33.433 18.298 1.00 0.00 H ATOM 126 N LEU A 33 11.831 -30.683 18.123 1.00 36.90 N ATOM 127 CA LEU A 33 10.368 -30.661 18.127 1.00 35.17 C ATOM 128 C LEU A 33 9.787 -29.974 16.859 1.00 32.75 C ATOM 129 O LEU A 33 8.838 -30.489 16.262 1.00 30.19 O ATOM 130 CB LEU A 33 9.830 -30.049 19.437 1.00 35.92 C ATOM 131 CG LEU A 33 8.322 -30.196 19.736 1.00 37.88 C ATOM 132 CD1 LEU A 33 7.896 -31.636 20.034 1.00 39.74 C ATOM 133 CD2 LEU A 33 7.894 -29.275 20.873 1.00 38.31 C ATOM 134 HA LEU A 33 10.020 -31.693 18.088 1.00 0.00 H ATOM 135 HB2 LEU A 33 10.372 -30.515 20.260 1.00 0.00 H ATOM 136 HB3 LEU A 33 10.054 -28.983 19.414 1.00 0.00 H ATOM 137 HG LEU A 33 7.810 -29.900 18.820 1.00 0.00 H ATOM 138 HD21 LEU A 33 8.454 -29.527 21.773 1.00 0.00 H ATOM 139 HD22 LEU A 33 8.095 -28.240 20.596 1.00 0.00 H ATOM 140 HD23 LEU A 33 6.828 -29.402 21.060 1.00 0.00 H ATOM 141 HD11 LEU A 33 8.122 -32.266 19.173 1.00 0.00 H ATOM 142 HD12 LEU A 33 8.439 -32.001 20.906 1.00 0.00 H ATOM 143 HD13 LEU A 33 6.825 -31.663 20.234 1.00 0.00 H ATOM 144 H LEU A 33 12.360 -30.056 18.762 1.00 0.00 H ATOM 145 N LEU A 34 10.368 -28.835 16.444 1.00 30.45 N ATOM 146 CA LEU A 34 9.961 -28.190 15.199 1.00 29.01 C ATOM 147 C LEU A 34 10.116 -29.168 14.023 1.00 29.54 C ATOM 148 O LEU A 34 9.248 -29.255 13.138 1.00 28.12 O ATOM 149 CB LEU A 34 10.723 -26.886 14.946 1.00 27.77 C ATOM 150 CG LEU A 34 10.335 -26.152 13.667 1.00 26.80 C ATOM 151 CD1 LEU A 34 8.819 -25.929 13.563 1.00 25.27 C ATOM 152 CD2 LEU A 34 11.085 -24.849 13.516 1.00 26.16 C ATOM 153 HA LEU A 34 8.909 -27.919 15.292 1.00 0.00 H ATOM 154 HB2 LEU A 34 10.541 -26.218 15.788 1.00 0.00 H ATOM 155 HB3 LEU A 34 11.786 -27.120 14.893 1.00 0.00 H ATOM 156 HG LEU A 34 10.626 -26.800 12.840 1.00 0.00 H ATOM 157 HD21 LEU A 34 10.860 -24.202 14.364 1.00 0.00 H ATOM 158 HD22 LEU A 34 12.156 -25.049 13.484 1.00 0.00 H ATOM 159 HD23 LEU A 34 10.778 -24.359 12.592 1.00 0.00 H ATOM 160 HD11 LEU A 34 8.310 -26.893 13.569 1.00 0.00 H ATOM 161 HD12 LEU A 34 8.482 -25.334 14.411 1.00 0.00 H ATOM 162 HD13 LEU A 34 8.593 -25.403 12.635 1.00 0.00 H ATOM 163 H LEU A 34 11.120 -28.406 17.020 1.00 0.00 H ATOM 164 N LEU A 35 11.198 -29.928 14.059 1.00 30.91 N ATOM 165 CA LEU A 35 11.536 -30.853 12.997 1.00 33.30 C ATOM 166 C LEU A 35 10.468 -31.937 12.960 1.00 35.77 C ATOM 167 O LEU A 35 10.086 -32.367 11.840 1.00 37.51 O ATOM 168 CB LEU A 35 12.966 -31.418 13.185 1.00 33.93 C ATOM 169 CG LEU A 35 13.536 -32.355 12.115 1.00 35.70 C ATOM 170 CD1 LEU A 35 13.598 -31.705 10.738 1.00 36.06 C ATOM 171 CD2 LEU A 35 14.919 -32.904 12.491 1.00 37.26 C ATOM 172 HA LEU A 35 11.550 -30.344 12.033 1.00 0.00 H ATOM 173 HB2 LEU A 35 13.641 -30.565 13.257 1.00 0.00 H ATOM 174 HB3 LEU A 35 12.973 -31.966 14.127 1.00 0.00 H ATOM 175 HG LEU A 35 12.837 -33.190 12.066 1.00 0.00 H ATOM 176 HD21 LEU A 35 15.615 -32.075 12.618 1.00 0.00 H ATOM 177 HD22 LEU A 35 14.845 -33.464 13.423 1.00 0.00 H ATOM 178 HD23 LEU A 35 15.275 -33.562 11.698 1.00 0.00 H ATOM 179 HD11 LEU A 35 12.594 -31.415 10.429 1.00 0.00 H ATOM 180 HD12 LEU A 35 14.235 -30.821 10.783 1.00 0.00 H ATOM 181 HD13 LEU A 35 14.010 -32.415 10.021 1.00 0.00 H ATOM 182 H LEU A 35 11.830 -29.859 14.882 1.00 0.00 H ATOM 183 N LYS A 36 9.975 -32.359 14.150 1.00 34.87 N ATOM 184 CA LYS A 36 8.947 -33.395 14.227 1.00 35.79 C ATOM 185 C LYS A 36 7.679 -32.915 13.529 1.00 37.15 C ATOM 186 O LYS A 36 7.093 -33.656 12.737 1.00 41.29 O ATOM 187 CB LYS A 36 8.631 -33.769 15.665 1.00 36.54 C ATOM 188 CG LYS A 36 8.231 -35.230 15.881 1.00 38.82 C ATOM 189 CD LYS A 36 7.385 -35.426 17.155 1.00 40.12 C ATOM 190 CE LYS A 36 6.889 -36.863 17.299 1.00 41.11 C ATOM 191 NZ LYS A 36 5.791 -36.917 18.295 1.00 40.77 N ATOM 192 HA LYS A 36 9.332 -34.284 13.728 1.00 0.00 H ATOM 193 HB2 LYS A 36 9.516 -33.568 16.269 1.00 0.00 H ATOM 194 HB3 LYS A 36 7.809 -33.139 16.005 1.00 0.00 H ATOM 195 HG2 LYS A 36 7.652 -35.565 15.021 1.00 0.00 H ATOM 196 HG3 LYS A 36 9.136 -35.832 15.965 1.00 0.00 H ATOM 197 HD2 LYS A 36 7.994 -35.175 18.024 1.00 0.00 H ATOM 198 HD3 LYS A 36 6.524 -34.759 17.112 1.00 0.00 H ATOM 199 HE2 LYS A 36 7.710 -37.498 17.630 1.00 0.00 H ATOM 200 HE3 LYS A 36 6.522 -37.218 16.336 1.00 0.00 H ATOM 201 HZ1 LYS A 36 6.141 -36.579 19.214 1.00 0.00 H ATOM 202 HZ2 LYS A 36 5.007 -36.312 17.978 1.00 0.00 H ATOM 203 HZ3 LYS A 36 5.458 -37.898 18.389 1.00 0.00 H ATOM 204 H LYS A 36 10.337 -31.936 15.029 1.00 0.00 H ATOM 205 N LEU A 37 7.282 -31.668 13.809 1.00 36.16 N ATOM 206 CA LEU A 37 6.099 -31.019 13.266 1.00 33.41 C ATOM 207 C LEU A 37 6.199 -30.890 11.729 1.00 34.19 C ATOM 208 O LEU A 37 5.266 -31.311 11.013 1.00 34.85 O ATOM 209 CB LEU A 37 5.900 -29.703 13.990 1.00 31.27 C ATOM 210 CG LEU A 37 4.742 -28.784 13.617 1.00 35.80 C ATOM 211 CD1 LEU A 37 4.219 -28.099 14.875 1.00 40.96 C ATOM 212 CD2 LEU A 37 5.063 -27.740 12.534 1.00 35.07 C ATOM 213 HA LEU A 37 5.208 -31.623 13.437 1.00 0.00 H ATOM 214 HB2 LEU A 37 5.782 -29.942 15.047 1.00 0.00 H ATOM 215 HB3 LEU A 37 6.815 -29.127 13.849 1.00 0.00 H ATOM 216 HG LEU A 37 3.980 -29.424 13.172 1.00 0.00 H ATOM 217 HD21 LEU A 37 5.873 -27.098 12.879 1.00 0.00 H ATOM 218 HD22 LEU A 37 5.366 -28.249 11.619 1.00 0.00 H ATOM 219 HD23 LEU A 37 4.177 -27.136 12.339 1.00 0.00 H ATOM 220 HD11 LEU A 37 3.874 -28.854 15.582 1.00 0.00 H ATOM 221 HD12 LEU A 37 5.019 -27.514 15.328 1.00 0.00 H ATOM 222 HD13 LEU A 37 3.391 -27.441 14.611 1.00 0.00 H ATOM 223 H LEU A 37 7.868 -31.118 14.469 1.00 0.00 H ATOM 224 N LEU A 38 7.333 -30.379 11.213 1.00 34.26 N ATOM 225 CA LEU A 38 7.570 -30.258 9.746 1.00 30.75 C ATOM 226 C LEU A 38 7.554 -31.614 9.079 1.00 32.66 C ATOM 227 O LEU A 38 7.003 -31.744 7.984 1.00 33.47 O ATOM 228 CB LEU A 38 8.864 -29.535 9.422 1.00 29.05 C ATOM 229 CG LEU A 38 9.172 -28.162 10.044 1.00 27.81 C ATOM 230 CD1 LEU A 38 10.568 -27.745 9.604 1.00 29.23 C ATOM 231 CD2 LEU A 38 8.183 -27.081 9.667 1.00 25.57 C ATOM 232 HA LEU A 38 6.751 -29.656 9.352 1.00 0.00 H ATOM 233 HB2 LEU A 38 9.675 -30.200 9.717 1.00 0.00 H ATOM 234 HB3 LEU A 38 8.883 -29.399 8.341 1.00 0.00 H ATOM 235 HG LEU A 38 9.099 -28.272 11.126 1.00 0.00 H ATOM 236 HD21 LEU A 38 8.183 -26.952 8.585 1.00 0.00 H ATOM 237 HD22 LEU A 38 7.186 -27.370 10.000 1.00 0.00 H ATOM 238 HD23 LEU A 38 8.470 -26.145 10.145 1.00 0.00 H ATOM 239 HD11 LEU A 38 11.292 -28.484 9.948 1.00 0.00 H ATOM 240 HD12 LEU A 38 10.601 -27.681 8.516 1.00 0.00 H ATOM 241 HD13 LEU A 38 10.808 -26.773 10.034 1.00 0.00 H ATOM 242 H LEU A 38 8.075 -30.055 11.866 1.00 0.00 H ATOM 243 N LYS A 39 8.117 -32.636 9.739 1.00 33.76 N ATOM 244 CA LYS A 39 8.114 -34.005 9.178 1.00 34.50 C ATOM 245 C LYS A 39 6.722 -34.609 9.081 1.00 34.76 C ATOM 246 O LYS A 39 6.419 -35.301 8.119 1.00 38.47 O ATOM 247 CB LYS A 39 9.153 -34.923 9.846 1.00 35.79 C ATOM 248 CG LYS A 39 10.606 -34.578 9.416 1.00 37.72 C ATOM 249 CD LYS A 39 11.653 -35.701 9.471 1.00 38.13 C ATOM 250 CE LYS A 39 13.026 -35.116 9.155 1.00 38.76 C ATOM 251 NZ LYS A 39 14.000 -36.021 8.481 1.00 39.95 N ATOM 252 HA LYS A 39 8.443 -33.911 8.143 1.00 0.00 H ATOM 253 HB2 LYS A 39 9.072 -34.816 10.928 1.00 0.00 H ATOM 254 HB3 LYS A 39 8.940 -35.955 9.567 1.00 0.00 H ATOM 255 HG2 LYS A 39 10.565 -34.221 8.387 1.00 0.00 H ATOM 256 HG3 LYS A 39 10.956 -33.775 10.064 1.00 0.00 H ATOM 257 HD2 LYS A 39 11.664 -36.142 10.468 1.00 0.00 H ATOM 258 HD3 LYS A 39 11.405 -36.469 8.738 1.00 0.00 H ATOM 259 HE2 LYS A 39 13.472 -34.792 10.095 1.00 0.00 H ATOM 260 HE3 LYS A 39 12.876 -34.251 8.509 1.00 0.00 H ATOM 261 HZ1 LYS A 39 14.177 -36.849 9.085 1.00 0.00 H ATOM 262 HZ2 LYS A 39 13.608 -36.333 7.569 1.00 0.00 H ATOM 263 HZ3 LYS A 39 14.892 -35.511 8.320 1.00 0.00 H ATOM 264 H LYS A 39 8.564 -32.463 10.662 1.00 0.00 H ATOM 265 N SER A 40 5.843 -34.275 10.017 1.00 34.04 N ATOM 266 CA SER A 40 4.462 -34.784 10.038 1.00 33.36 C ATOM 267 C SER A 40 3.608 -34.332 8.837 1.00 33.61 C ATOM 268 O SER A 40 2.565 -34.927 8.577 1.00 33.93 O ATOM 269 CB SER A 40 3.784 -34.464 11.381 1.00 31.12 C ATOM 270 OG SER A 40 3.353 -33.131 11.396 1.00 31.16 O ATOM 271 HA SER A 40 4.534 -35.867 9.936 1.00 0.00 H ATOM 272 HB2 SER A 40 4.495 -34.623 12.191 1.00 0.00 H ATOM 273 HB3 SER A 40 2.926 -35.122 11.518 1.00 0.00 H ATOM 274 HG SER A 40 4.132 -32.532 11.273 1.00 0.00 H ATOM 275 H SER A 40 6.143 -33.624 10.770 1.00 0.00 H ATOM 276 N VAL A 41 4.066 -33.287 8.129 1.00 33.53 N ATOM 277 CA VAL A 41 3.403 -32.739 6.920 1.00 33.11 C ATOM 278 C VAL A 41 4.264 -32.910 5.673 1.00 33.48 C ATOM 279 O VAL A 41 4.096 -32.171 4.699 1.00 34.05 O ATOM 280 CB VAL A 41 2.931 -31.246 7.049 1.00 31.57 C ATOM 281 CG1 VAL A 41 1.710 -31.159 7.934 1.00 32.48 C ATOM 282 CG2 VAL A 41 4.022 -30.293 7.535 1.00 29.72 C ATOM 283 HA VAL A 41 2.497 -33.336 6.819 1.00 0.00 H ATOM 284 HB VAL A 41 2.678 -30.916 6.041 1.00 0.00 H ATOM 285 HG11 VAL A 41 0.905 -31.752 7.500 1.00 0.00 H ATOM 286 HG12 VAL A 41 1.953 -31.544 8.925 1.00 0.00 H ATOM 287 HG13 VAL A 41 1.394 -30.119 8.014 1.00 0.00 H ATOM 288 HG21 VAL A 41 4.367 -30.610 8.519 1.00 0.00 H ATOM 289 HG22 VAL A 41 4.856 -30.309 6.833 1.00 0.00 H ATOM 290 HG23 VAL A 41 3.618 -29.282 7.598 1.00 0.00 H ATOM 291 H VAL A 41 4.944 -32.831 8.449 1.00 0.00 H ATOM 292 N GLY A 42 5.191 -33.862 5.713 1.00 33.32 N ATOM 293 CA GLY A 42 5.946 -34.253 4.527 1.00 33.99 C ATOM 294 C GLY A 42 7.392 -33.780 4.350 1.00 34.81 C ATOM 295 O GLY A 42 8.081 -34.241 3.422 1.00 36.79 O ATOM 296 HA3 GLY A 42 5.388 -33.890 3.664 1.00 0.00 H ATOM 297 HA2 GLY A 42 5.967 -35.343 4.512 1.00 0.00 H ATOM 298 H GLY A 42 5.384 -34.342 6.615 1.00 0.00 H ATOM 299 N ALA A 43 7.873 -32.867 5.193 1.00 32.92 N ATOM 300 CA ALA A 43 9.224 -32.368 5.016 1.00 34.15 C ATOM 301 C ALA A 43 10.233 -33.502 5.156 1.00 36.75 C ATOM 302 O ALA A 43 10.056 -34.380 5.999 1.00 38.39 O ATOM 303 CB ALA A 43 9.512 -31.278 6.015 1.00 32.32 C ATOM 304 HA ALA A 43 9.313 -31.951 4.013 1.00 0.00 H ATOM 305 HB1 ALA A 43 8.807 -30.459 5.871 1.00 0.00 H ATOM 306 HB2 ALA A 43 9.408 -31.675 7.025 1.00 0.00 H ATOM 307 HB3 ALA A 43 10.529 -30.913 5.870 1.00 0.00 H ATOM 308 H ALA A 43 7.283 -32.514 5.974 1.00 0.00 H ATOM 309 N GLN A 44 11.296 -33.490 4.367 1.00 39.05 N ATOM 310 CA GLN A 44 12.258 -34.607 4.401 1.00 44.14 C ATOM 311 C GLN A 44 13.683 -34.216 4.799 1.00 46.26 C ATOM 312 O GLN A 44 14.503 -35.055 5.155 1.00 49.60 O ATOM 313 CB GLN A 44 12.236 -35.402 3.085 1.00 44.34 C ATOM 314 CG GLN A 44 11.150 -36.457 3.062 1.00 44.25 C ATOM 315 CD GLN A 44 10.536 -36.608 1.691 1.00 45.61 C ATOM 316 OE1 GLN A 44 11.227 -36.870 0.704 1.00 47.73 O ATOM 317 NE2 GLN A 44 9.227 -36.423 1.620 1.00 44.16 N ATOM 318 HA GLN A 44 11.913 -35.254 5.208 1.00 0.00 H ATOM 319 HB2 GLN A 44 12.068 -34.709 2.261 1.00 0.00 H ATOM 320 HB3 GLN A 44 13.201 -35.891 2.956 1.00 0.00 H ATOM 321 HG2 GLN A 44 11.581 -37.412 3.362 1.00 0.00 H ATOM 322 HG3 GLN A 44 10.369 -36.174 3.768 1.00 0.00 H ATOM 323 HE22 GLN A 44 8.685 -36.204 2.480 1.00 0.00 H ATOM 324 HE21 GLN A 44 8.740 -36.497 0.704 1.00 0.00 H ATOM 325 H GLN A 44 11.453 -32.690 3.721 1.00 0.00 H ATOM 326 N LYS A 45 13.955 -32.927 4.758 1.00 47.86 N ATOM 327 CA LYS A 45 15.275 -32.400 5.028 1.00 50.07 C ATOM 328 C LYS A 45 15.532 -32.260 6.548 1.00 49.11 C ATOM 329 O LYS A 45 14.729 -32.720 7.361 1.00 49.22 O ATOM 330 CB LYS A 45 15.404 -31.064 4.307 1.00 49.71 C ATOM 331 CG LYS A 45 15.314 -31.219 2.800 1.00 50.58 C ATOM 332 CD LYS A 45 15.604 -29.910 2.067 1.00 52.59 C ATOM 333 CE LYS A 45 14.463 -28.893 2.083 1.00 50.61 C ATOM 334 NZ LYS A 45 15.078 -27.551 1.860 1.00 55.52 N ATOM 335 HA LYS A 45 16.033 -33.091 4.659 1.00 0.00 H ATOM 336 HB2 LYS A 45 14.603 -30.405 4.642 1.00 0.00 H ATOM 337 HB3 LYS A 45 16.367 -30.620 4.558 1.00 0.00 H ATOM 338 HG2 LYS A 45 16.038 -31.969 2.480 1.00 0.00 H ATOM 339 HG3 LYS A 45 14.309 -31.552 2.540 1.00 0.00 H ATOM 340 HD2 LYS A 45 16.475 -29.448 2.531 1.00 0.00 H ATOM 341 HD3 LYS A 45 15.831 -30.147 1.028 1.00 0.00 H ATOM 342 HE2 LYS A 45 13.952 -28.917 3.046 1.00 0.00 H ATOM 343 HE3 LYS A 45 13.750 -29.116 1.289 1.00 0.00 H ATOM 344 HZ1 LYS A 45 15.760 -27.353 2.620 1.00 0.00 H ATOM 345 HZ2 LYS A 45 15.567 -27.543 0.942 1.00 0.00 H ATOM 346 HZ3 LYS A 45 14.333 -26.825 1.863 1.00 0.00 H ATOM 347 H LYS A 45 13.191 -32.262 4.522 1.00 0.00 H ATOM 348 N ASP A 46 16.693 -31.699 6.893 1.00 47.80 N ATOM 349 CA ASP A 46 17.070 -31.304 8.243 1.00 45.07 C ATOM 350 C ASP A 46 17.336 -29.792 8.247 1.00 42.24 C ATOM 351 O ASP A 46 17.388 -29.181 9.324 1.00 39.85 O ATOM 352 CB ASP A 46 18.352 -32.017 8.695 1.00 48.56 C ATOM 353 CG ASP A 46 18.131 -33.476 9.064 1.00 50.71 C ATOM 354 OD1 ASP A 46 17.356 -33.781 9.995 1.00 49.21 O ATOM 355 OD2 ASP A 46 18.787 -34.324 8.430 1.00 54.32 O ATOM 356 HA ASP A 46 16.261 -31.573 8.923 1.00 0.00 H ATOM 357 HB2 ASP A 46 19.078 -31.971 7.883 1.00 0.00 H ATOM 358 HB3 ASP A 46 18.749 -31.496 9.566 1.00 0.00 H ATOM 359 H ASP A 46 17.385 -31.530 6.135 1.00 0.00 H ATOM 360 N THR A 47 17.515 -29.215 7.048 1.00 40.16 N ATOM 361 CA THR A 47 17.756 -27.795 6.897 1.00 38.92 C ATOM 362 C THR A 47 16.774 -27.189 5.912 1.00 39.29 C ATOM 363 O THR A 47 16.374 -27.838 4.962 1.00 42.58 O ATOM 364 CB THR A 47 19.193 -27.486 6.453 1.00 40.19 C ATOM 365 OG1 THR A 47 19.499 -28.239 5.293 1.00 41.99 O ATOM 366 CG2 THR A 47 20.184 -27.830 7.572 1.00 40.74 C ATOM 367 HA THR A 47 17.612 -27.347 7.880 1.00 0.00 H ATOM 368 HB THR A 47 19.275 -26.422 6.231 1.00 0.00 H ATOM 369 HG1 THR A 47 18.869 -27.997 4.568 1.00 0.00 H ATOM 370 HG23 THR A 47 19.943 -27.247 8.461 1.00 0.00 H ATOM 371 HG21 THR A 47 20.115 -28.893 7.803 1.00 0.00 H ATOM 372 HG22 THR A 47 21.196 -27.593 7.245 1.00 0.00 H ATOM 373 H THR A 47 17.479 -29.810 6.196 1.00 0.00 H ATOM 374 N TYR A 48 16.371 -25.947 6.151 1.00 37.28 N ATOM 375 CA TYR A 48 15.337 -25.310 5.361 1.00 35.94 C ATOM 376 C TYR A 48 15.590 -23.794 5.178 1.00 36.80 C ATOM 377 O TYR A 48 16.378 -23.178 5.911 1.00 36.32 O ATOM 378 CB TYR A 48 13.984 -25.492 6.051 1.00 34.99 C ATOM 379 CG TYR A 48 13.583 -26.923 6.207 1.00 35.88 C ATOM 380 CD1 TYR A 48 13.953 -27.639 7.338 1.00 34.58 C ATOM 381 CD2 TYR A 48 12.824 -27.563 5.203 1.00 37.81 C ATOM 382 CE1 TYR A 48 13.608 -28.961 7.482 1.00 37.42 C ATOM 383 CE2 TYR A 48 12.463 -28.893 5.323 1.00 39.99 C ATOM 384 CZ TYR A 48 12.862 -29.585 6.469 1.00 40.87 C ATOM 385 OH TYR A 48 12.511 -30.898 6.570 1.00 39.72 O ATOM 386 HA TYR A 48 15.345 -25.781 4.378 1.00 0.00 H ATOM 387 HB3 TYR A 48 13.223 -24.983 5.459 1.00 0.00 H ATOM 388 HB2 TYR A 48 14.037 -25.038 7.041 1.00 0.00 H ATOM 389 HD2 TYR A 48 12.518 -27.001 4.321 1.00 0.00 H ATOM 390 HE2 TYR A 48 11.883 -29.388 4.544 1.00 0.00 H ATOM 391 HE1 TYR A 48 13.909 -29.517 8.370 1.00 0.00 H ATOM 392 HD1 TYR A 48 14.526 -27.145 8.123 1.00 0.00 H ATOM 393 HH TYR A 48 12.854 -31.265 7.423 1.00 0.00 H ATOM 394 H TYR A 48 16.811 -25.415 6.929 1.00 0.00 H ATOM 395 N THR A 49 14.883 -23.191 4.218 1.00 35.14 N ATOM 396 CA THR A 49 14.849 -21.751 4.117 1.00 35.62 C ATOM 397 C THR A 49 13.661 -21.327 5.017 1.00 33.74 C ATOM 398 O THR A 49 12.805 -22.151 5.310 1.00 32.51 O ATOM 399 CB THR A 49 14.645 -21.286 2.645 1.00 37.32 C ATOM 400 OG1 THR A 49 13.304 -21.591 2.246 1.00 38.50 O ATOM 401 CG2 THR A 49 15.600 -21.970 1.674 1.00 38.04 C ATOM 402 HA THR A 49 15.787 -21.295 4.433 1.00 0.00 H ATOM 403 HB THR A 49 14.844 -20.215 2.612 1.00 0.00 H ATOM 404 HG1 THR A 49 13.165 -21.299 1.310 1.00 0.00 H ATOM 405 HG23 THR A 49 16.628 -21.749 1.961 1.00 0.00 H ATOM 406 HG21 THR A 49 15.436 -23.047 1.704 1.00 0.00 H ATOM 407 HG22 THR A 49 15.416 -21.601 0.665 1.00 0.00 H ATOM 408 H THR A 49 14.350 -23.766 3.535 1.00 0.00 H ATOM 409 N MET A 50 13.586 -20.062 5.430 1.00 34.05 N ATOM 410 CA MET A 50 12.436 -19.578 6.171 1.00 33.89 C ATOM 411 C MET A 50 11.144 -19.784 5.420 1.00 34.11 C ATOM 412 O MET A 50 10.135 -20.164 6.045 1.00 32.17 O ATOM 413 CB MET A 50 12.571 -18.117 6.615 1.00 36.11 C ATOM 414 CG MET A 50 13.154 -18.006 8.021 1.00 40.50 C ATOM 415 SD MET A 50 12.055 -18.674 9.320 1.00 45.46 S ATOM 416 CE MET A 50 10.770 -17.405 9.435 1.00 40.21 C ATOM 417 HA MET A 50 12.406 -20.186 7.075 1.00 0.00 H ATOM 418 HB2 MET A 50 13.227 -17.595 5.918 1.00 0.00 H ATOM 419 HB3 MET A 50 11.586 -17.651 6.603 1.00 0.00 H ATOM 420 HG2 MET A 50 13.342 -16.954 8.235 1.00 0.00 H ATOM 421 HG3 MET A 50 14.095 -18.555 8.049 1.00 0.00 H ATOM 422 HE1 MET A 50 11.224 -16.454 9.712 1.00 0.00 H ATOM 423 HE2 MET A 50 10.273 -17.304 8.470 1.00 0.00 H ATOM 424 HE3 MET A 50 10.041 -17.695 10.192 1.00 0.00 H ATOM 425 H MET A 50 14.367 -19.409 5.217 1.00 0.00 H ATOM 426 N LYS A 51 11.178 -19.550 4.094 1.00 35.59 N ATOM 427 CA LYS A 51 10.042 -19.785 3.210 1.00 34.32 C ATOM 428 C LYS A 51 9.515 -21.232 3.379 1.00 32.82 C ATOM 429 O LYS A 51 8.311 -21.413 3.557 1.00 32.36 O ATOM 430 CB LYS A 51 10.406 -19.473 1.751 1.00 37.10 C ATOM 431 CG LYS A 51 9.830 -18.181 1.231 1.00 38.71 C ATOM 432 CD LYS A 51 10.351 -17.789 -0.145 1.00 41.76 C ATOM 433 CE LYS A 51 9.618 -16.541 -0.658 1.00 44.07 C ATOM 434 NZ LYS A 51 10.219 -16.053 -1.930 1.00 47.58 N ATOM 435 HA LYS A 51 9.237 -19.106 3.490 1.00 0.00 H ATOM 436 HB2 LYS A 51 11.492 -19.419 1.674 1.00 0.00 H ATOM 437 HB3 LYS A 51 10.039 -20.287 1.126 1.00 0.00 H ATOM 438 HG2 LYS A 51 8.747 -18.286 1.172 1.00 0.00 H ATOM 439 HG3 LYS A 51 10.079 -17.385 1.933 1.00 0.00 H ATOM 440 HD2 LYS A 51 11.418 -17.577 -0.079 1.00 0.00 H ATOM 441 HD3 LYS A 51 10.188 -18.613 -0.840 1.00 0.00 H ATOM 442 HE2 LYS A 51 9.685 -15.754 0.093 1.00 0.00 H ATOM 443 HE3 LYS A 51 8.571 -16.788 -0.830 1.00 0.00 H ATOM 444 HZ1 LYS A 51 11.218 -15.811 -1.770 1.00 0.00 H ATOM 445 HZ2 LYS A 51 10.153 -16.799 -2.652 1.00 0.00 H ATOM 446 HZ3 LYS A 51 9.704 -15.209 -2.254 1.00 0.00 H ATOM 447 H LYS A 51 12.059 -19.183 3.680 1.00 0.00 H ATOM 448 N GLU A 52 10.399 -22.241 3.367 1.00 31.48 N ATOM 449 CA GLU A 52 9.977 -23.638 3.546 1.00 30.90 C ATOM 450 C GLU A 52 9.405 -23.941 4.951 1.00 29.05 C ATOM 451 O GLU A 52 8.416 -24.639 5.065 1.00 27.61 O ATOM 452 CB GLU A 52 11.085 -24.616 3.198 1.00 31.80 C ATOM 453 CG GLU A 52 11.648 -24.474 1.792 1.00 34.48 C ATOM 454 CD GLU A 52 12.850 -25.383 1.530 1.00 36.19 C ATOM 455 OE1 GLU A 52 13.842 -25.259 2.266 1.00 36.85 O ATOM 456 OE2 GLU A 52 12.819 -26.197 0.580 1.00 37.06 O ATOM 457 HA GLU A 52 9.158 -23.777 2.840 1.00 0.00 H ATOM 458 HB2 GLU A 52 11.901 -24.469 3.906 1.00 0.00 H ATOM 459 HB3 GLU A 52 10.691 -25.627 3.304 1.00 0.00 H ATOM 460 HG2 GLU A 52 10.863 -24.722 1.077 1.00 0.00 H ATOM 461 HG3 GLU A 52 11.957 -23.439 1.645 1.00 0.00 H ATOM 462 H GLU A 52 11.408 -22.030 3.228 1.00 0.00 H ATOM 463 N VAL A 53 10.006 -23.402 6.013 1.00 28.71 N ATOM 464 CA VAL A 53 9.478 -23.581 7.386 1.00 26.96 C ATOM 465 C VAL A 53 8.053 -22.987 7.488 1.00 27.08 C ATOM 466 O VAL A 53 7.134 -23.612 8.020 1.00 27.78 O ATOM 467 CB VAL A 53 10.421 -22.938 8.430 1.00 26.21 C ATOM 468 CG1 VAL A 53 9.731 -22.735 9.790 1.00 23.43 C ATOM 469 CG2 VAL A 53 11.703 -23.748 8.519 1.00 26.35 C ATOM 470 HA VAL A 53 9.426 -24.648 7.601 1.00 0.00 H ATOM 471 HB VAL A 53 10.685 -21.933 8.101 1.00 0.00 H ATOM 472 HG11 VAL A 53 8.868 -22.081 9.664 1.00 0.00 H ATOM 473 HG12 VAL A 53 9.404 -23.700 10.178 1.00 0.00 H ATOM 474 HG13 VAL A 53 10.434 -22.281 10.488 1.00 0.00 H ATOM 475 HG21 VAL A 53 11.466 -24.768 8.821 1.00 0.00 H ATOM 476 HG22 VAL A 53 12.192 -23.760 7.545 1.00 0.00 H ATOM 477 HG23 VAL A 53 12.367 -23.295 9.255 1.00 0.00 H ATOM 478 H VAL A 53 10.870 -22.840 5.873 1.00 0.00 H ATOM 479 N LEU A 54 7.857 -21.797 6.940 1.00 27.11 N ATOM 480 CA LEU A 54 6.582 -21.124 7.025 1.00 26.98 C ATOM 481 C LEU A 54 5.504 -21.910 6.277 1.00 27.43 C ATOM 482 O LEU A 54 4.395 -22.103 6.791 1.00 26.82 O ATOM 483 CB LEU A 54 6.712 -19.699 6.468 1.00 28.96 C ATOM 484 CG LEU A 54 7.319 -18.718 7.466 1.00 29.59 C ATOM 485 CD1 LEU A 54 7.710 -17.421 6.779 1.00 30.27 C ATOM 486 CD2 LEU A 54 6.322 -18.514 8.625 1.00 29.18 C ATOM 487 HA LEU A 54 6.280 -21.064 8.071 1.00 0.00 H ATOM 488 HB2 LEU A 54 7.346 -19.729 5.582 1.00 0.00 H ATOM 489 HB3 LEU A 54 5.720 -19.343 6.191 1.00 0.00 H ATOM 490 HG LEU A 54 8.242 -19.121 7.883 1.00 0.00 H ATOM 491 HD21 LEU A 54 5.387 -18.114 8.232 1.00 0.00 H ATOM 492 HD22 LEU A 54 6.133 -19.470 9.112 1.00 0.00 H ATOM 493 HD23 LEU A 54 6.744 -17.814 9.346 1.00 0.00 H ATOM 494 HD11 LEU A 54 8.444 -17.630 6.001 1.00 0.00 H ATOM 495 HD12 LEU A 54 6.825 -16.967 6.333 1.00 0.00 H ATOM 496 HD13 LEU A 54 8.140 -16.738 7.512 1.00 0.00 H ATOM 497 H LEU A 54 8.641 -21.336 6.436 1.00 0.00 H ATOM 498 N PHE A 55 5.858 -22.356 5.068 1.00 27.57 N ATOM 499 CA PHE A 55 5.016 -23.210 4.265 1.00 26.65 C ATOM 500 C PHE A 55 4.544 -24.405 5.065 1.00 25.34 C ATOM 501 O PHE A 55 3.343 -24.636 5.171 1.00 25.50 O ATOM 502 CB PHE A 55 5.734 -23.692 2.997 1.00 27.48 C ATOM 503 CG PHE A 55 4.935 -24.668 2.231 1.00 28.13 C ATOM 504 CD1 PHE A 55 3.928 -24.231 1.398 1.00 29.40 C ATOM 505 CD2 PHE A 55 5.119 -26.033 2.404 1.00 28.70 C ATOM 506 CE1 PHE A 55 3.123 -25.139 0.710 1.00 31.36 C ATOM 507 CE2 PHE A 55 4.309 -26.961 1.743 1.00 30.05 C ATOM 508 CZ PHE A 55 3.325 -26.514 0.877 1.00 31.69 C ATOM 509 HA PHE A 55 4.155 -22.614 3.964 1.00 0.00 H ATOM 510 HB2 PHE A 55 5.937 -22.830 2.361 1.00 0.00 H ATOM 511 HB3 PHE A 55 6.676 -24.160 3.285 1.00 0.00 H ATOM 512 HD2 PHE A 55 5.909 -26.387 3.067 1.00 0.00 H ATOM 513 HE2 PHE A 55 4.451 -28.029 1.908 1.00 0.00 H ATOM 514 HZ PHE A 55 2.711 -27.229 0.329 1.00 0.00 H ATOM 515 HE1 PHE A 55 2.339 -24.779 0.044 1.00 0.00 H ATOM 516 HD1 PHE A 55 3.758 -23.161 1.275 1.00 0.00 H ATOM 517 H PHE A 55 6.784 -22.074 4.688 1.00 0.00 H ATOM 518 N TYR A 56 5.485 -25.172 5.601 1.00 24.90 N ATOM 519 CA TYR A 56 5.152 -26.392 6.295 1.00 25.31 C ATOM 520 C TYR A 56 4.332 -26.137 7.535 1.00 25.15 C ATOM 521 O TYR A 56 3.388 -26.874 7.842 1.00 23.29 O ATOM 522 CB TYR A 56 6.405 -27.172 6.613 1.00 25.23 C ATOM 523 CG TYR A 56 6.934 -27.913 5.412 1.00 28.03 C ATOM 524 CD1 TYR A 56 6.173 -28.902 4.769 1.00 28.96 C ATOM 525 CD2 TYR A 56 8.192 -27.653 4.927 1.00 28.72 C ATOM 526 CE1 TYR A 56 6.654 -29.580 3.675 1.00 30.83 C ATOM 527 CE2 TYR A 56 8.680 -28.327 3.819 1.00 31.99 C ATOM 528 CZ TYR A 56 7.910 -29.288 3.200 1.00 33.54 C ATOM 529 OH TYR A 56 8.453 -29.960 2.106 1.00 36.67 O ATOM 530 HA TYR A 56 4.530 -26.992 5.631 1.00 0.00 H ATOM 531 HB3 TYR A 56 6.180 -27.892 7.400 1.00 0.00 H ATOM 532 HB2 TYR A 56 7.170 -26.480 6.964 1.00 0.00 H ATOM 533 HD2 TYR A 56 8.815 -26.907 5.420 1.00 0.00 H ATOM 534 HE2 TYR A 56 9.674 -28.097 3.436 1.00 0.00 H ATOM 535 HE1 TYR A 56 6.045 -30.342 3.189 1.00 0.00 H ATOM 536 HD1 TYR A 56 5.178 -29.137 5.146 1.00 0.00 H ATOM 537 HH TYR A 56 9.277 -30.432 2.386 1.00 0.00 H ATOM 538 H TYR A 56 6.482 -24.888 5.519 1.00 0.00 H ATOM 539 N LEU A 57 4.700 -25.071 8.243 1.00 26.58 N ATOM 540 CA LEU A 57 3.963 -24.673 9.431 1.00 28.80 C ATOM 541 C LEU A 57 2.511 -24.267 9.058 1.00 28.52 C ATOM 542 O LEU A 57 1.573 -24.586 9.787 1.00 29.81 O ATOM 543 CB LEU A 57 4.710 -23.562 10.139 1.00 32.18 C ATOM 544 CG LEU A 57 4.122 -23.078 11.447 1.00 37.65 C ATOM 545 CD1 LEU A 57 4.342 -24.191 12.485 1.00 40.01 C ATOM 546 CD2 LEU A 57 4.735 -21.705 11.848 1.00 38.50 C ATOM 547 HA LEU A 57 3.887 -25.515 10.119 1.00 0.00 H ATOM 548 HB2 LEU A 57 5.720 -23.919 10.342 1.00 0.00 H ATOM 549 HB3 LEU A 57 4.756 -22.710 9.461 1.00 0.00 H ATOM 550 HG LEU A 57 3.051 -22.891 11.368 1.00 0.00 H ATOM 551 HD21 LEU A 57 5.814 -21.810 11.962 1.00 0.00 H ATOM 552 HD22 LEU A 57 4.520 -20.972 11.071 1.00 0.00 H ATOM 553 HD23 LEU A 57 4.299 -21.375 12.791 1.00 0.00 H ATOM 554 HD11 LEU A 57 3.841 -25.100 12.152 1.00 0.00 H ATOM 555 HD12 LEU A 57 5.410 -24.381 12.591 1.00 0.00 H ATOM 556 HD13 LEU A 57 3.930 -23.878 13.444 1.00 0.00 H ATOM 557 H LEU A 57 5.526 -24.516 7.942 1.00 0.00 H ATOM 558 N GLY A 58 2.343 -23.638 7.900 1.00 26.58 N ATOM 559 CA GLY A 58 1.062 -23.313 7.378 1.00 26.93 C ATOM 560 C GLY A 58 0.244 -24.532 7.043 1.00 28.99 C ATOM 561 O GLY A 58 -0.977 -24.561 7.362 1.00 32.54 O ATOM 562 HA3 GLY A 58 1.194 -22.722 6.472 1.00 0.00 H ATOM 563 HA2 GLY A 58 0.522 -22.724 8.119 1.00 0.00 H ATOM 564 H GLY A 58 3.186 -23.372 7.352 1.00 0.00 H ATOM 565 N GLN A 59 0.888 -25.534 6.427 1.00 27.97 N ATOM 566 CA GLN A 59 0.233 -26.828 6.096 1.00 28.17 C ATOM 567 C GLN A 59 -0.246 -27.556 7.309 1.00 28.42 C ATOM 568 O GLN A 59 -1.363 -28.118 7.297 1.00 29.90 O ATOM 569 CB GLN A 59 1.123 -27.758 5.297 1.00 28.11 C ATOM 570 CG GLN A 59 1.451 -27.206 3.930 1.00 30.49 C ATOM 571 CD GLN A 59 0.201 -26.871 3.096 1.00 32.79 C ATOM 572 OE1 GLN A 59 -0.065 -25.687 2.828 1.00 34.76 O ATOM 573 NE2 GLN A 59 -0.589 -27.902 2.717 1.00 32.12 N ATOM 574 HA GLN A 59 -0.623 -26.548 5.482 1.00 0.00 H ATOM 575 HB2 GLN A 59 2.052 -27.911 5.846 1.00 0.00 H ATOM 576 HB3 GLN A 59 0.613 -28.713 5.176 1.00 0.00 H ATOM 577 HG2 GLN A 59 2.039 -26.296 4.055 1.00 0.00 H ATOM 578 HG3 GLN A 59 2.041 -27.946 3.389 1.00 0.00 H ATOM 579 HE22 GLN A 59 -0.326 -28.877 2.964 1.00 0.00 H ATOM 580 HE21 GLN A 59 -1.460 -27.719 2.178 1.00 0.00 H ATOM 581 H GLN A 59 1.887 -25.401 6.170 1.00 0.00 H ATOM 582 N TYR A 60 0.574 -27.502 8.365 1.00 27.83 N ATOM 583 CA TYR A 60 0.284 -28.132 9.643 1.00 27.79 C ATOM 584 C TYR A 60 -0.977 -27.554 10.308 1.00 27.57 C ATOM 585 O TYR A 60 -1.872 -28.289 10.704 1.00 27.24 O ATOM 586 CB TYR A 60 1.506 -28.035 10.567 1.00 28.07 C ATOM 587 CG TYR A 60 1.327 -28.700 11.910 1.00 27.26 C ATOM 588 CD1 TYR A 60 1.660 -30.020 12.085 1.00 28.29 C ATOM 589 CD2 TYR A 60 0.807 -27.988 12.993 1.00 27.01 C ATOM 590 CE1 TYR A 60 1.496 -30.635 13.314 1.00 31.26 C ATOM 591 CE2 TYR A 60 0.647 -28.564 14.225 1.00 28.53 C ATOM 592 CZ TYR A 60 0.985 -29.902 14.395 1.00 31.19 C ATOM 593 OH TYR A 60 0.830 -30.519 15.629 1.00 31.91 O ATOM 594 HA TYR A 60 0.072 -29.185 9.456 1.00 0.00 H ATOM 595 HB3 TYR A 60 1.724 -26.980 10.735 1.00 0.00 H ATOM 596 HB2 TYR A 60 2.352 -28.504 10.064 1.00 0.00 H ATOM 597 HD2 TYR A 60 0.521 -26.946 12.854 1.00 0.00 H ATOM 598 HE2 TYR A 60 0.260 -27.982 15.061 1.00 0.00 H ATOM 599 HE1 TYR A 60 1.763 -31.684 13.441 1.00 0.00 H ATOM 600 HD1 TYR A 60 2.058 -30.591 11.246 1.00 0.00 H ATOM 601 HH TYR A 60 -0.122 -30.482 15.898 1.00 0.00 H ATOM 602 H TYR A 60 1.468 -26.981 8.266 1.00 0.00 H ATOM 603 N ILE A 61 -1.032 -26.232 10.419 1.00 27.86 N ATOM 604 CA ILE A 61 -2.186 -25.530 11.000 1.00 27.15 C ATOM 605 C ILE A 61 -3.468 -25.861 10.197 1.00 31.54 C ATOM 606 O ILE A 61 -4.523 -26.124 10.839 1.00 34.60 O ATOM 607 CB ILE A 61 -1.929 -24.003 11.090 1.00 24.92 C ATOM 608 CG1 ILE A 61 -0.776 -23.705 12.068 1.00 21.91 C ATOM 609 CG2 ILE A 61 -3.208 -23.269 11.459 1.00 24.06 C ATOM 610 CD1 ILE A 61 -0.035 -22.434 11.792 1.00 21.45 C ATOM 611 HA ILE A 61 -2.332 -25.880 12.022 1.00 0.00 H ATOM 612 HB ILE A 61 -1.620 -23.635 10.112 1.00 0.00 H ATOM 613 HG12 ILE A 61 -1.191 -23.645 13.074 1.00 0.00 H ATOM 614 HG13 ILE A 61 -0.066 -24.530 12.018 1.00 0.00 H ATOM 615 HD11 ILE A 61 0.401 -22.478 10.794 1.00 0.00 H ATOM 616 HD12 ILE A 61 -0.725 -21.592 11.851 1.00 0.00 H ATOM 617 HD13 ILE A 61 0.757 -22.309 12.530 1.00 0.00 H ATOM 618 HG21 ILE A 61 -3.966 -23.457 10.698 1.00 0.00 H ATOM 619 HG22 ILE A 61 -3.565 -23.626 12.425 1.00 0.00 H ATOM 620 HG23 ILE A 61 -3.008 -22.199 11.517 1.00 0.00 H ATOM 621 H ILE A 61 -0.225 -25.670 10.081 1.00 0.00 H ATOM 622 N MET A 62 -3.390 -25.895 8.845 1.00 30.73 N ATOM 623 CA MET A 62 -4.583 -26.187 7.996 1.00 33.27 C ATOM 624 C MET A 62 -5.027 -27.646 8.222 1.00 35.30 C ATOM 625 O MET A 62 -6.192 -27.893 8.609 1.00 38.65 O ATOM 626 CB MET A 62 -4.359 -25.882 6.503 1.00 34.55 C ATOM 627 CG MET A 62 -3.956 -24.448 6.193 1.00 36.13 C ATOM 628 SD MET A 62 -3.764 -23.981 4.448 1.00 43.49 S ATOM 629 CE MET A 62 -2.473 -22.719 4.515 1.00 38.15 C ATOM 630 HA MET A 62 -5.382 -25.514 8.306 1.00 0.00 H ATOM 631 HB2 MET A 62 -3.572 -26.541 6.137 1.00 0.00 H ATOM 632 HB3 MET A 62 -5.286 -26.095 5.971 1.00 0.00 H ATOM 633 HG2 MET A 62 -3.001 -24.264 6.686 1.00 0.00 H ATOM 634 HG3 MET A 62 -4.717 -23.796 6.623 1.00 0.00 H ATOM 635 HE1 MET A 62 -2.808 -21.891 5.139 1.00 0.00 H ATOM 636 HE2 MET A 62 -1.566 -23.151 4.939 1.00 0.00 H ATOM 637 HE3 MET A 62 -2.268 -22.357 3.508 1.00 0.00 H ATOM 638 H MET A 62 -2.475 -25.713 8.386 1.00 0.00 H ATOM 639 N THR A 63 -4.117 -28.599 8.004 1.00 33.72 N ATOM 640 CA THR A 63 -4.371 -30.024 8.242 1.00 36.26 C ATOM 641 C THR A 63 -5.038 -30.344 9.602 1.00 36.07 C ATOM 642 O THR A 63 -6.073 -31.016 9.647 1.00 38.23 O ATOM 643 CB THR A 63 -3.066 -30.842 8.074 1.00 39.28 C ATOM 644 OG1 THR A 63 -2.624 -30.729 6.714 1.00 44.02 O ATOM 645 CG2 THR A 63 -3.256 -32.339 8.419 1.00 40.69 C ATOM 646 HA THR A 63 -5.099 -30.319 7.486 1.00 0.00 H ATOM 647 HB THR A 63 -2.328 -30.437 8.767 1.00 0.00 H ATOM 648 HG1 THR A 63 -2.454 -29.777 6.501 1.00 0.00 H ATOM 649 HG23 THR A 63 -3.592 -32.433 9.452 1.00 0.00 H ATOM 650 HG21 THR A 63 -4.001 -32.772 7.752 1.00 0.00 H ATOM 651 HG22 THR A 63 -2.308 -32.862 8.295 1.00 0.00 H ATOM 652 H THR A 63 -3.182 -28.317 7.648 1.00 0.00 H ATOM 653 N LYS A 64 -4.455 -29.864 10.702 1.00 33.47 N ATOM 654 CA LYS A 64 -4.994 -30.111 12.047 1.00 33.33 C ATOM 655 C LYS A 64 -6.176 -29.205 12.452 1.00 32.27 C ATOM 656 O LYS A 64 -6.763 -29.406 13.490 1.00 30.81 O ATOM 657 CB LYS A 64 -3.864 -30.052 13.089 1.00 32.34 C ATOM 658 CG LYS A 64 -2.856 -31.189 12.946 1.00 32.84 C ATOM 659 CD LYS A 64 -2.186 -31.435 14.275 1.00 32.77 C ATOM 660 CE LYS A 64 -2.196 -32.888 14.685 1.00 34.45 C ATOM 661 NZ LYS A 64 -1.922 -32.957 16.143 1.00 33.52 N ATOM 662 HA LYS A 64 -5.418 -31.115 12.016 1.00 0.00 H ATOM 663 HB2 LYS A 64 -3.337 -29.105 12.976 1.00 0.00 H ATOM 664 HB3 LYS A 64 -4.306 -30.104 14.084 1.00 0.00 H ATOM 665 HG2 LYS A 64 -3.372 -32.094 12.625 1.00 0.00 H ATOM 666 HG3 LYS A 64 -2.105 -30.918 12.204 1.00 0.00 H ATOM 667 HD2 LYS A 64 -1.151 -31.100 14.209 1.00 0.00 H ATOM 668 HD3 LYS A 64 -2.706 -30.856 15.038 1.00 0.00 H ATOM 669 HE2 LYS A 64 -1.426 -33.432 14.138 1.00 0.00 H ATOM 670 HE3 LYS A 64 -3.171 -33.326 14.471 1.00 0.00 H ATOM 671 HZ1 LYS A 64 -0.992 -32.535 16.340 1.00 0.00 H ATOM 672 HZ2 LYS A 64 -2.658 -32.433 16.658 1.00 0.00 H ATOM 673 HZ3 LYS A 64 -1.924 -33.951 16.448 1.00 0.00 H ATOM 674 H LYS A 64 -3.590 -29.296 10.604 1.00 0.00 H ATOM 675 N ARG A 65 -6.517 -28.244 11.590 1.00 33.62 N ATOM 676 CA ARG A 65 -7.646 -27.284 11.755 1.00 33.87 C ATOM 677 C ARG A 65 -7.482 -26.454 13.025 1.00 32.48 C ATOM 678 O ARG A 65 -8.422 -26.318 13.803 1.00 33.79 O ATOM 679 CB ARG A 65 -9.020 -27.960 11.650 1.00 35.03 C ATOM 680 CG ARG A 65 -9.285 -28.587 10.305 1.00 37.89 C ATOM 681 CD ARG A 65 -9.937 -27.624 9.308 1.00 40.93 C ATOM 682 NE ARG A 65 -9.305 -27.840 8.010 1.00 42.39 N ATOM 683 CZ ARG A 65 -9.685 -28.790 7.157 1.00 43.66 C ATOM 684 NH1 ARG A 65 -10.741 -29.536 7.432 1.00 43.96 N ATOM 685 NH2 ARG A 65 -9.032 -28.977 6.020 1.00 44.14 N ATOM 686 HA ARG A 65 -7.607 -26.590 10.916 1.00 0.00 H ATOM 687 HB2 ARG A 65 -9.080 -28.738 12.411 1.00 0.00 H ATOM 688 HB3 ARG A 65 -9.788 -27.210 11.838 1.00 0.00 H ATOM 689 HG2 ARG A 65 -8.337 -28.928 9.889 1.00 0.00 H ATOM 690 HG3 ARG A 65 -9.947 -29.442 10.445 1.00 0.00 H ATOM 691 HD2 ARG A 65 -9.783 -26.594 9.630 1.00 0.00 H ATOM 692 HD3 ARG A 65 -11.006 -27.826 9.240 1.00 0.00 H ATOM 693 HE ARG A 65 -8.516 -27.219 7.737 1.00 0.00 H ATOM 694 HH12 ARG A 65 -11.040 -30.279 6.768 1.00 0.00 H ATOM 695 HH11 ARG A 65 -11.273 -29.380 8.312 1.00 0.00 H ATOM 696 HH22 ARG A 65 -9.337 -29.722 5.361 1.00 0.00 H ATOM 697 HH21 ARG A 65 -8.214 -28.379 5.786 1.00 0.00 H ATOM 698 H ARG A 65 -5.944 -28.157 10.726 1.00 0.00 H ATOM 699 N LEU A 66 -6.278 -25.910 13.235 1.00 30.13 N ATOM 700 CA LEU A 66 -6.001 -25.157 14.459 1.00 29.79 C ATOM 701 C LEU A 66 -6.551 -23.727 14.443 1.00 31.05 C ATOM 702 O LEU A 66 -6.620 -23.080 15.499 1.00 34.34 O ATOM 703 CB LEU A 66 -4.537 -25.210 14.892 1.00 26.88 C ATOM 704 CG LEU A 66 -3.957 -26.635 15.064 1.00 27.77 C ATOM 705 CD1 LEU A 66 -2.440 -26.603 15.185 1.00 25.72 C ATOM 706 CD2 LEU A 66 -4.605 -27.456 16.181 1.00 27.78 C ATOM 707 HA LEU A 66 -6.563 -25.683 15.231 1.00 0.00 H ATOM 708 HB2 LEU A 66 -3.943 -24.691 14.140 1.00 0.00 H ATOM 709 HB3 LEU A 66 -4.447 -24.691 15.846 1.00 0.00 H ATOM 710 HG LEU A 66 -4.217 -27.166 14.148 1.00 0.00 H ATOM 711 HD21 LEU A 66 -4.470 -26.942 17.133 1.00 0.00 H ATOM 712 HD22 LEU A 66 -5.669 -27.570 15.976 1.00 0.00 H ATOM 713 HD23 LEU A 66 -4.135 -28.439 16.227 1.00 0.00 H ATOM 714 HD11 LEU A 66 -2.014 -26.161 14.284 1.00 0.00 H ATOM 715 HD12 LEU A 66 -2.158 -26.006 16.052 1.00 0.00 H ATOM 716 HD13 LEU A 66 -2.065 -27.619 15.305 1.00 0.00 H ATOM 717 H LEU A 66 -5.531 -26.023 12.521 1.00 0.00 H ATOM 718 N TYR A 67 -6.966 -23.233 13.284 1.00 29.71 N ATOM 719 CA TYR A 67 -7.544 -21.898 13.216 1.00 30.79 C ATOM 720 C TYR A 67 -9.011 -21.991 13.629 1.00 32.48 C ATOM 721 O TYR A 67 -9.638 -23.040 13.474 1.00 33.89 O ATOM 722 CB TYR A 67 -7.403 -21.278 11.823 1.00 31.33 C ATOM 723 CG TYR A 67 -7.984 -22.115 10.712 1.00 33.84 C ATOM 724 CD1 TYR A 67 -9.279 -21.903 10.275 1.00 35.52 C ATOM 725 CD2 TYR A 67 -7.226 -23.132 10.092 1.00 34.49 C ATOM 726 CE1 TYR A 67 -9.830 -22.669 9.260 1.00 38.68 C ATOM 727 CE2 TYR A 67 -7.762 -23.905 9.098 1.00 36.11 C ATOM 728 CZ TYR A 67 -9.065 -23.658 8.675 1.00 39.75 C ATOM 729 OH TYR A 67 -9.621 -24.415 7.665 1.00 43.97 O ATOM 730 HA TYR A 67 -7.002 -21.241 13.896 1.00 0.00 H ATOM 731 HB3 TYR A 67 -6.342 -21.129 11.620 1.00 0.00 H ATOM 732 HB2 TYR A 67 -7.910 -20.313 11.825 1.00 0.00 H ATOM 733 HD2 TYR A 67 -6.198 -23.304 10.410 1.00 0.00 H ATOM 734 HE2 TYR A 67 -7.176 -24.704 8.643 1.00 0.00 H ATOM 735 HE1 TYR A 67 -10.853 -22.493 8.928 1.00 0.00 H ATOM 736 HD1 TYR A 67 -9.878 -21.118 10.738 1.00 0.00 H ATOM 737 HH TYR A 67 -10.546 -24.106 7.493 1.00 0.00 H ATOM 738 H TYR A 67 -6.878 -23.803 12.418 1.00 0.00 H ATOM 739 N ASP A 68 -9.542 -20.909 14.189 1.00 31.95 N ATOM 740 CA ASP A 68 -10.949 -20.796 14.484 1.00 33.41 C ATOM 741 C ASP A 68 -11.673 -20.629 13.126 1.00 36.05 C ATOM 742 O ASP A 68 -11.337 -19.709 12.361 1.00 36.10 O ATOM 743 CB ASP A 68 -11.127 -19.562 15.373 1.00 33.28 C ATOM 744 CG ASP A 68 -12.497 -19.413 15.918 1.00 33.36 C ATOM 745 OD1 ASP A 68 -13.381 -20.216 15.605 1.00 33.99 O ATOM 746 OD2 ASP A 68 -12.662 -18.463 16.688 1.00 33.68 O ATOM 747 HA ASP A 68 -11.356 -21.663 15.004 1.00 0.00 H ATOM 748 HB2 ASP A 68 -10.430 -19.636 16.208 1.00 0.00 H ATOM 749 HB3 ASP A 68 -10.893 -18.676 14.783 1.00 0.00 H ATOM 750 H ASP A 68 -8.917 -20.111 14.424 1.00 0.00 H ATOM 751 N ALA A 69 -12.625 -21.515 12.798 1.00 36.71 N ATOM 752 CA ALA A 69 -13.285 -21.449 11.499 1.00 38.20 C ATOM 753 C ALA A 69 -14.184 -20.185 11.374 1.00 40.68 C ATOM 754 O ALA A 69 -14.429 -19.671 10.262 1.00 41.47 O ATOM 755 CB ALA A 69 -14.061 -22.732 11.225 1.00 38.98 C ATOM 756 HA ALA A 69 -12.515 -21.358 10.733 1.00 0.00 H ATOM 757 HB1 ALA A 69 -13.374 -23.579 11.230 1.00 0.00 H ATOM 758 HB2 ALA A 69 -14.816 -22.871 11.999 1.00 0.00 H ATOM 759 HB3 ALA A 69 -14.545 -22.661 10.251 1.00 0.00 H ATOM 760 H ALA A 69 -12.895 -22.256 13.476 1.00 0.00 H ATOM 761 N ALA A 70 -14.658 -19.684 12.520 1.00 41.67 N ATOM 762 CA ALA A 70 -15.405 -18.422 12.590 1.00 43.32 C ATOM 763 C ALA A 70 -14.504 -17.172 12.618 1.00 44.19 C ATOM 764 O ALA A 70 -14.963 -16.147 12.202 1.00 48.05 O ATOM 765 CB ALA A 70 -16.310 -18.426 13.788 1.00 44.01 C ATOM 766 HA ALA A 70 -15.991 -18.361 11.673 1.00 0.00 H ATOM 767 HB1 ALA A 70 -17.013 -19.255 13.708 1.00 0.00 H ATOM 768 HB2 ALA A 70 -15.713 -18.540 14.693 1.00 0.00 H ATOM 769 HB3 ALA A 70 -16.859 -17.485 13.830 1.00 0.00 H ATOM 770 H ALA A 70 -14.490 -20.212 13.400 1.00 0.00 H ATOM 771 N GLN A 71 -13.304 -17.294 13.173 1.00 41.51 N ATOM 772 CA GLN A 71 -12.345 -16.203 13.267 1.00 42.01 C ATOM 773 C GLN A 71 -10.983 -16.687 12.806 1.00 40.53 C ATOM 774 O GLN A 71 -10.137 -17.025 13.619 1.00 36.52 O ATOM 775 CB GLN A 71 -12.253 -15.702 14.698 1.00 40.51 C ATOM 776 CG GLN A 71 -12.001 -14.230 14.824 1.00 42.62 C ATOM 777 CD GLN A 71 -11.952 -13.790 16.260 1.00 41.91 C ATOM 778 OE1 GLN A 71 -11.722 -14.593 17.152 1.00 40.45 O ATOM 779 NE2 GLN A 71 -12.169 -12.512 16.494 1.00 43.82 N ATOM 780 HA GLN A 71 -12.677 -15.383 12.630 1.00 0.00 H ATOM 781 HB2 GLN A 71 -13.192 -15.932 15.201 1.00 0.00 H ATOM 782 HB3 GLN A 71 -11.439 -16.231 15.193 1.00 0.00 H ATOM 783 HG2 GLN A 71 -11.048 -13.994 14.350 1.00 0.00 H ATOM 784 HG3 GLN A 71 -12.801 -13.691 14.317 1.00 0.00 H ATOM 785 HE22 GLN A 71 -12.361 -11.864 15.704 1.00 0.00 H ATOM 786 HE21 GLN A 71 -12.148 -12.151 17.469 1.00 0.00 H ATOM 787 H GLN A 71 -13.034 -18.220 13.562 1.00 0.00 H ATOM 788 N GLN A 72 -10.783 -16.711 11.496 1.00 41.77 N ATOM 789 CA GLN A 72 -9.651 -17.385 10.869 1.00 39.48 C ATOM 790 C GLN A 72 -8.251 -16.860 11.210 1.00 39.87 C ATOM 791 O GLN A 72 -7.290 -17.615 11.156 1.00 38.30 O ATOM 792 CB GLN A 72 -9.872 -17.543 9.362 1.00 39.29 C ATOM 793 CG GLN A 72 -11.214 -18.180 9.023 1.00 41.19 C ATOM 794 CD GLN A 72 -11.127 -19.274 7.979 1.00 43.68 C ATOM 795 OE1 GLN A 72 -10.220 -19.297 7.162 1.00 43.01 O ATOM 796 NE2 GLN A 72 -12.086 -20.179 7.996 1.00 43.54 N ATOM 797 HA GLN A 72 -9.641 -18.370 11.336 1.00 0.00 H ATOM 798 HB2 GLN A 72 -9.827 -16.557 8.898 1.00 0.00 H ATOM 799 HB3 GLN A 72 -9.077 -18.170 8.957 1.00 0.00 H ATOM 800 HG2 GLN A 72 -11.632 -18.607 9.935 1.00 0.00 H ATOM 801 HG3 GLN A 72 -11.880 -17.401 8.650 1.00 0.00 H ATOM 802 HE22 GLN A 72 -12.841 -20.123 8.709 1.00 0.00 H ATOM 803 HE21 GLN A 72 -12.087 -20.948 7.296 1.00 0.00 H ATOM 804 H GLN A 72 -11.468 -16.224 10.883 1.00 0.00 H ATOM 805 N HIS A 73 -8.115 -15.577 11.518 1.00 39.48 N ATOM 806 CA HIS A 73 -6.791 -15.055 11.863 1.00 39.33 C ATOM 807 C HIS A 73 -6.249 -15.566 13.200 1.00 38.99 C ATOM 808 O HIS A 73 -5.043 -15.368 13.502 1.00 38.74 O ATOM 809 CB HIS A 73 -6.744 -13.526 11.790 1.00 42.44 C ATOM 810 CG HIS A 73 -7.565 -12.832 12.865 1.00 46.87 C ATOM 811 ND1 HIS A 73 -7.006 -12.277 13.993 1.00 47.40 N ATOM 812 CD2 HIS A 73 -8.942 -12.647 12.972 1.00 47.86 C ATOM 813 CE1 HIS A 73 -7.987 -11.759 14.758 1.00 49.15 C ATOM 814 NE2 HIS A 73 -9.174 -11.985 14.132 1.00 48.98 N ATOM 815 HA HIS A 73 -6.121 -15.453 11.101 1.00 0.00 H ATOM 816 HB2 HIS A 73 -5.706 -13.209 11.892 1.00 0.00 H ATOM 817 HB3 HIS A 73 -7.123 -13.217 10.816 1.00 0.00 H ATOM 818 HD2 HIS A 73 -9.694 -12.974 12.255 1.00 0.00 H ATOM 819 HE1 HIS A 73 -7.853 -11.248 15.712 1.00 0.00 H ATOM 820 H HIS A 73 -8.942 -14.947 11.515 1.00 0.00 H ATOM 821 N ILE A 74 -7.093 -16.224 14.011 1.00 37.00 N ATOM 822 CA ILE A 74 -6.631 -16.754 15.312 1.00 35.05 C ATOM 823 C ILE A 74 -6.323 -18.268 15.241 1.00 34.00 C ATOM 824 O ILE A 74 -7.147 -19.074 14.748 1.00 36.11 O ATOM 825 CB ILE A 74 -7.609 -16.410 16.485 1.00 37.59 C ATOM 826 CG1 ILE A 74 -7.826 -14.874 16.658 1.00 38.33 C ATOM 827 CG2 ILE A 74 -7.163 -17.059 17.805 1.00 36.39 C ATOM 828 CD1 ILE A 74 -6.593 -14.088 17.112 1.00 40.76 C ATOM 829 HA ILE A 74 -5.694 -16.245 15.536 1.00 0.00 H ATOM 830 HB ILE A 74 -8.574 -16.836 16.211 1.00 0.00 H ATOM 831 HG12 ILE A 74 -8.150 -14.469 15.699 1.00 0.00 H ATOM 832 HG13 ILE A 74 -8.612 -14.726 17.398 1.00 0.00 H ATOM 833 HD11 ILE A 74 -6.259 -14.465 18.078 1.00 0.00 H ATOM 834 HD12 ILE A 74 -5.796 -14.209 16.378 1.00 0.00 H ATOM 835 HD13 ILE A 74 -6.849 -13.032 17.202 1.00 0.00 H ATOM 836 HG21 ILE A 74 -7.137 -18.142 17.685 1.00 0.00 H ATOM 837 HG22 ILE A 74 -6.169 -16.697 18.069 1.00 0.00 H ATOM 838 HG23 ILE A 74 -7.868 -16.796 18.594 1.00 0.00 H ATOM 839 H ILE A 74 -8.082 -16.362 13.721 1.00 0.00 H ATOM 840 N VAL A 75 -5.134 -18.647 15.698 1.00 29.33 N ATOM 841 CA VAL A 75 -4.758 -20.048 15.756 1.00 29.41 C ATOM 842 C VAL A 75 -4.789 -20.472 17.239 1.00 29.11 C ATOM 843 O VAL A 75 -4.195 -19.820 18.098 1.00 28.14 O ATOM 844 CB VAL A 75 -3.367 -20.292 15.081 1.00 28.62 C ATOM 845 CG1 VAL A 75 -2.996 -21.752 15.125 1.00 27.09 C ATOM 846 CG2 VAL A 75 -3.392 -19.835 13.615 1.00 27.58 C ATOM 847 HA VAL A 75 -5.459 -20.663 15.192 1.00 0.00 H ATOM 848 HB VAL A 75 -2.628 -19.714 15.635 1.00 0.00 H ATOM 849 HG11 VAL A 75 -2.945 -22.081 16.163 1.00 0.00 H ATOM 850 HG12 VAL A 75 -3.750 -22.333 14.595 1.00 0.00 H ATOM 851 HG13 VAL A 75 -2.025 -21.893 14.649 1.00 0.00 H ATOM 852 HG21 VAL A 75 -4.152 -20.398 13.073 1.00 0.00 H ATOM 853 HG22 VAL A 75 -3.625 -18.771 13.571 1.00 0.00 H ATOM 854 HG23 VAL A 75 -2.416 -20.013 13.164 1.00 0.00 H ATOM 855 H VAL A 75 -4.459 -17.925 16.021 1.00 0.00 H ATOM 856 N TYR A 76 -5.549 -21.524 17.529 1.00 29.83 N ATOM 857 CA TYR A 76 -5.699 -22.080 18.885 1.00 29.52 C ATOM 858 C TYR A 76 -4.906 -23.351 18.935 1.00 29.32 C ATOM 859 O TYR A 76 -5.339 -24.367 18.366 1.00 31.24 O ATOM 860 CB TYR A 76 -7.167 -22.374 19.219 1.00 29.66 C ATOM 861 CG TYR A 76 -7.944 -21.126 19.464 1.00 31.30 C ATOM 862 CD1 TYR A 76 -7.751 -20.369 20.639 1.00 31.96 C ATOM 863 CD2 TYR A 76 -8.854 -20.663 18.510 1.00 32.99 C ATOM 864 CE1 TYR A 76 -8.458 -19.180 20.857 1.00 35.45 C ATOM 865 CE2 TYR A 76 -9.568 -19.479 18.704 1.00 35.59 C ATOM 866 CZ TYR A 76 -9.371 -18.736 19.872 1.00 37.66 C ATOM 867 OH TYR A 76 -10.074 -17.562 20.055 1.00 40.34 O ATOM 868 HA TYR A 76 -5.342 -21.356 19.617 1.00 0.00 H ATOM 869 HB3 TYR A 76 -7.207 -22.995 20.114 1.00 0.00 H ATOM 870 HB2 TYR A 76 -7.617 -22.911 18.384 1.00 0.00 H ATOM 871 HD2 TYR A 76 -9.009 -21.237 17.597 1.00 0.00 H ATOM 872 HE2 TYR A 76 -10.275 -19.136 17.949 1.00 0.00 H ATOM 873 HE1 TYR A 76 -8.307 -18.606 21.771 1.00 0.00 H ATOM 874 HD1 TYR A 76 -7.040 -20.715 21.389 1.00 0.00 H ATOM 875 HH TYR A 76 -9.823 -17.160 20.924 1.00 0.00 H ATOM 876 H TYR A 76 -6.068 -21.981 16.753 1.00 0.00 H ATOM 877 N CYS A 77 -3.754 -23.291 19.603 1.00 27.60 N ATOM 878 CA CYS A 77 -2.826 -24.409 19.690 1.00 27.53 C ATOM 879 C CYS A 77 -2.628 -24.941 21.155 1.00 28.54 C ATOM 880 O CYS A 77 -1.801 -25.806 21.410 1.00 30.28 O ATOM 881 CB CYS A 77 -1.518 -23.998 19.041 1.00 28.18 C ATOM 882 SG CYS A 77 -0.967 -22.371 19.609 1.00 33.60 S ATOM 883 HA CYS A 77 -3.250 -25.257 19.152 1.00 0.00 H ATOM 884 HB2 CYS A 77 -1.655 -23.967 17.960 1.00 0.00 H ATOM 885 HB3 CYS A 77 -0.754 -24.735 19.288 1.00 0.00 H ATOM 886 HG CYS A 77 -0.782 -22.401 20.976 1.00 0.00 H ATOM 887 H CYS A 77 -3.507 -22.403 20.085 1.00 0.00 H ATOM 888 N SER A 78 -3.440 -24.468 22.093 1.00 28.58 N ATOM 889 CA SER A 78 -3.321 -24.805 23.513 1.00 29.78 C ATOM 890 C SER A 78 -3.326 -26.306 23.804 1.00 31.50 C ATOM 891 O SER A 78 -2.724 -26.710 24.789 1.00 35.07 O ATOM 892 CB SER A 78 -4.410 -24.106 24.346 1.00 29.27 C ATOM 893 OG SER A 78 -5.645 -24.783 24.187 1.00 31.24 O ATOM 894 HA SER A 78 -2.339 -24.436 23.808 1.00 0.00 H ATOM 895 HB2 SER A 78 -4.517 -23.075 24.010 1.00 0.00 H ATOM 896 HB3 SER A 78 -4.124 -24.117 25.398 1.00 0.00 H ATOM 897 HG SER A 78 -5.548 -25.719 24.493 1.00 0.00 H ATOM 898 H SER A 78 -4.202 -23.823 21.803 1.00 0.00 H ATOM 899 N ASN A 79 -4.016 -27.118 22.990 1.00 30.71 N ATOM 900 CA ASN A 79 -4.067 -28.583 23.189 1.00 31.46 C ATOM 901 C ASN A 79 -3.334 -29.325 22.091 1.00 30.95 C ATOM 902 O ASN A 79 -3.617 -30.479 21.843 1.00 30.87 O ATOM 903 CB ASN A 79 -5.503 -29.116 23.328 1.00 31.21 C ATOM 904 CG ASN A 79 -6.046 -28.907 24.695 1.00 33.34 C ATOM 905 OD1 ASN A 79 -6.509 -27.819 25.044 1.00 33.71 O ATOM 906 ND2 ASN A 79 -5.977 -29.939 25.495 1.00 35.51 N ATOM 907 HA ASN A 79 -3.557 -28.772 24.134 1.00 0.00 H ATOM 908 HB2 ASN A 79 -6.142 -28.598 22.613 1.00 0.00 H ATOM 909 HB3 ASN A 79 -5.505 -30.184 23.108 1.00 0.00 H ATOM 910 HD22 ASN A 79 -5.577 -30.836 25.153 1.00 0.00 H ATOM 911 HD21 ASN A 79 -6.322 -29.863 26.473 1.00 0.00 H ATOM 912 H ASN A 79 -4.534 -26.703 22.190 1.00 0.00 H ATOM 913 N ASP A 80 -2.404 -28.655 21.422 1.00 31.25 N ATOM 914 CA ASP A 80 -1.657 -29.264 20.308 1.00 31.51 C ATOM 915 C ASP A 80 -0.143 -29.169 20.537 1.00 31.86 C ATOM 916 O ASP A 80 0.319 -28.381 21.367 1.00 33.52 O ATOM 917 CB ASP A 80 -2.054 -28.573 19.015 1.00 32.87 C ATOM 918 CG ASP A 80 -1.377 -29.193 17.760 1.00 35.41 C ATOM 919 OD1 ASP A 80 -1.898 -30.237 17.260 1.00 39.73 O ATOM 920 OD2 ASP A 80 -0.333 -28.640 17.270 1.00 31.04 O ATOM 921 HA ASP A 80 -1.906 -30.323 20.246 1.00 0.00 H ATOM 922 HB2 ASP A 80 -3.135 -28.648 18.899 1.00 0.00 H ATOM 923 HB3 ASP A 80 -1.769 -27.523 19.081 1.00 0.00 H ATOM 924 H ASP A 80 -2.197 -27.672 21.692 1.00 0.00 H ATOM 925 N LEU A 81 0.632 -29.983 19.825 1.00 32.84 N ATOM 926 CA LEU A 81 2.089 -29.889 19.834 1.00 33.07 C ATOM 927 C LEU A 81 2.577 -28.463 19.567 1.00 30.71 C ATOM 928 O LEU A 81 3.520 -28.012 20.195 1.00 31.49 O ATOM 929 CB LEU A 81 2.646 -30.809 18.768 1.00 37.61 C ATOM 930 CG LEU A 81 4.114 -31.237 18.818 1.00 45.69 C ATOM 931 CD1 LEU A 81 4.192 -32.603 19.563 1.00 48.05 C ATOM 932 CD2 LEU A 81 4.728 -31.258 17.385 1.00 44.99 C ATOM 933 HA LEU A 81 2.438 -30.180 20.825 1.00 0.00 H ATOM 934 HB2 LEU A 81 2.051 -31.722 18.797 1.00 0.00 H ATOM 935 HB3 LEU A 81 2.496 -30.309 17.811 1.00 0.00 H ATOM 936 HG LEU A 81 4.719 -30.521 19.374 1.00 0.00 H ATOM 937 HD21 LEU A 81 4.175 -31.963 16.764 1.00 0.00 H ATOM 938 HD22 LEU A 81 4.665 -30.261 16.949 1.00 0.00 H ATOM 939 HD23 LEU A 81 5.772 -31.565 17.443 1.00 0.00 H ATOM 940 HD11 LEU A 81 3.798 -32.488 20.573 1.00 0.00 H ATOM 941 HD12 LEU A 81 3.601 -33.344 19.024 1.00 0.00 H ATOM 942 HD13 LEU A 81 5.231 -32.930 19.612 1.00 0.00 H ATOM 943 H LEU A 81 0.182 -30.715 19.239 1.00 0.00 H ATOM 944 N LEU A 82 1.928 -27.751 18.653 1.00 28.23 N ATOM 945 CA LEU A 82 2.307 -26.382 18.306 1.00 28.66 C ATOM 946 C LEU A 82 2.312 -25.428 19.520 1.00 29.92 C ATOM 947 O LEU A 82 3.168 -24.534 19.613 1.00 31.19 O ATOM 948 CB LEU A 82 1.437 -25.837 17.165 1.00 28.17 C ATOM 949 CG LEU A 82 1.777 -24.467 16.588 1.00 28.46 C ATOM 950 CD1 LEU A 82 3.173 -24.471 15.998 1.00 30.42 C ATOM 951 CD2 LEU A 82 0.767 -24.009 15.561 1.00 28.67 C ATOM 952 HA LEU A 82 3.338 -26.428 17.955 1.00 0.00 H ATOM 953 HB2 LEU A 82 1.491 -26.555 16.346 1.00 0.00 H ATOM 954 HB3 LEU A 82 0.413 -25.787 17.535 1.00 0.00 H ATOM 955 HG LEU A 82 1.741 -23.754 17.411 1.00 0.00 H ATOM 956 HD21 LEU A 82 0.737 -24.724 14.739 1.00 0.00 H ATOM 957 HD22 LEU A 82 -0.217 -23.945 16.025 1.00 0.00 H ATOM 958 HD23 LEU A 82 1.055 -23.029 15.182 1.00 0.00 H ATOM 959 HD11 LEU A 82 3.895 -24.717 16.777 1.00 0.00 H ATOM 960 HD12 LEU A 82 3.228 -25.214 15.203 1.00 0.00 H ATOM 961 HD13 LEU A 82 3.397 -23.485 15.591 1.00 0.00 H ATOM 962 H LEU A 82 1.118 -28.184 18.165 1.00 0.00 H ATOM 963 N GLY A 83 1.390 -25.647 20.451 1.00 29.12 N ATOM 964 CA GLY A 83 1.385 -24.942 21.711 1.00 30.31 C ATOM 965 C GLY A 83 2.658 -25.179 22.515 1.00 32.27 C ATOM 966 O GLY A 83 3.262 -24.202 23.052 1.00 34.37 O ATOM 967 HA3 GLY A 83 0.532 -25.281 22.298 1.00 0.00 H ATOM 968 HA2 GLY A 83 1.289 -23.874 21.515 1.00 0.00 H ATOM 969 H GLY A 83 0.646 -26.350 20.266 1.00 0.00 H ATOM 970 N ASP A 84 3.066 -26.455 22.605 1.00 31.66 N ATOM 971 CA ASP A 84 4.308 -26.862 23.294 1.00 32.63 C ATOM 972 C ASP A 84 5.530 -26.190 22.659 1.00 33.35 C ATOM 973 O ASP A 84 6.450 -25.762 23.356 1.00 35.81 O ATOM 974 CB ASP A 84 4.524 -28.381 23.264 1.00 33.00 C ATOM 975 CG ASP A 84 3.518 -29.152 24.098 1.00 36.77 C ATOM 976 OD1 ASP A 84 3.189 -30.320 23.732 1.00 36.20 O ATOM 977 OD2 ASP A 84 3.068 -28.607 25.140 1.00 38.10 O ATOM 978 HA ASP A 84 4.196 -26.544 24.331 1.00 0.00 H ATOM 979 HB2 ASP A 84 4.448 -28.720 22.231 1.00 0.00 H ATOM 980 HB3 ASP A 84 5.523 -28.595 23.643 1.00 0.00 H ATOM 981 H ASP A 84 2.479 -27.194 22.168 1.00 0.00 H ATOM 982 N LEU A 85 5.523 -26.122 21.333 1.00 32.09 N ATOM 983 CA LEU A 85 6.623 -25.623 20.538 1.00 30.60 C ATOM 984 C LEU A 85 6.833 -24.105 20.706 1.00 31.26 C ATOM 985 O LEU A 85 7.985 -23.662 20.958 1.00 34.05 O ATOM 986 CB LEU A 85 6.294 -25.945 19.089 1.00 30.05 C ATOM 987 CG LEU A 85 7.330 -25.675 18.022 1.00 29.66 C ATOM 988 CD1 LEU A 85 8.435 -26.716 18.107 1.00 33.15 C ATOM 989 CD2 LEU A 85 6.638 -25.702 16.663 1.00 29.75 C ATOM 990 HA LEU A 85 7.550 -26.095 20.863 1.00 0.00 H ATOM 991 HB2 LEU A 85 6.059 -27.008 19.044 1.00 0.00 H ATOM 992 HB3 LEU A 85 5.408 -25.367 18.827 1.00 0.00 H ATOM 993 HG LEU A 85 7.788 -24.696 18.165 1.00 0.00 H ATOM 994 HD21 LEU A 85 6.186 -26.681 16.506 1.00 0.00 H ATOM 995 HD22 LEU A 85 5.864 -24.935 16.635 1.00 0.00 H ATOM 996 HD23 LEU A 85 7.371 -25.509 15.880 1.00 0.00 H ATOM 997 HD11 LEU A 85 8.905 -26.666 19.089 1.00 0.00 H ATOM 998 HD12 LEU A 85 8.010 -27.708 17.956 1.00 0.00 H ATOM 999 HD13 LEU A 85 9.180 -26.517 17.336 1.00 0.00 H ATOM 1000 H LEU A 85 4.671 -26.449 20.834 1.00 0.00 H ATOM 1001 N PHE A 86 5.743 -23.329 20.525 1.00 28.71 N ATOM 1002 CA PHE A 86 5.721 -21.869 20.532 1.00 26.90 C ATOM 1003 C PHE A 86 5.530 -21.327 21.943 1.00 27.41 C ATOM 1004 O PHE A 86 5.736 -20.142 22.169 1.00 27.32 O ATOM 1005 CB PHE A 86 4.555 -21.362 19.697 1.00 27.25 C ATOM 1006 CG PHE A 86 4.808 -21.289 18.214 1.00 28.70 C ATOM 1007 CD1 PHE A 86 5.974 -21.843 17.625 1.00 27.45 C ATOM 1008 CD2 PHE A 86 3.838 -20.656 17.374 1.00 26.83 C ATOM 1009 CE1 PHE A 86 6.176 -21.756 16.248 1.00 25.36 C ATOM 1010 CE2 PHE A 86 4.057 -20.567 16.007 1.00 25.85 C ATOM 1011 CZ PHE A 86 5.221 -21.118 15.450 1.00 25.70 C ATOM 1012 HA PHE A 86 6.675 -21.531 20.127 1.00 0.00 H ATOM 1013 HB2 PHE A 86 3.708 -22.028 19.862 1.00 0.00 H ATOM 1014 HB3 PHE A 86 4.302 -20.361 20.045 1.00 0.00 H ATOM 1015 HD2 PHE A 86 2.927 -20.244 17.808 1.00 0.00 H ATOM 1016 HE2 PHE A 86 3.327 -20.071 15.368 1.00 0.00 H ATOM 1017 HZ PHE A 86 5.384 -21.047 14.375 1.00 0.00 H ATOM 1018 HE1 PHE A 86 7.072 -22.182 15.797 1.00 0.00 H ATOM 1019 HD1 PHE A 86 6.715 -22.339 18.252 1.00 0.00 H ATOM 1020 H PHE A 86 4.837 -23.815 20.366 1.00 0.00 H ATOM 1021 N GLY A 87 5.096 -22.173 22.875 1.00 27.86 N ATOM 1022 CA GLY A 87 4.875 -21.743 24.270 1.00 29.47 C ATOM 1023 C GLY A 87 3.701 -20.785 24.475 1.00 29.27 C ATOM 1024 O GLY A 87 3.648 -20.095 25.480 1.00 30.43 O ATOM 1025 HA3 GLY A 87 5.781 -21.247 24.618 1.00 0.00 H ATOM 1026 HA2 GLY A 87 4.695 -22.633 24.873 1.00 0.00 H ATOM 1027 H GLY A 87 4.908 -23.162 22.614 1.00 0.00 H ATOM 1028 N VAL A 88 2.760 -20.752 23.526 1.00 27.20 N ATOM 1029 CA VAL A 88 1.557 -19.891 23.602 1.00 26.82 C ATOM 1030 C VAL A 88 0.271 -20.710 23.396 1.00 27.11 C ATOM 1031 O VAL A 88 0.275 -21.715 22.645 1.00 27.91 O ATOM 1032 CB VAL A 88 1.608 -18.702 22.601 1.00 26.02 C ATOM 1033 CG1 VAL A 88 2.762 -17.773 22.950 1.00 25.14 C ATOM 1034 CG2 VAL A 88 1.627 -19.172 21.131 1.00 23.67 C ATOM 1035 HA VAL A 88 1.546 -19.468 24.607 1.00 0.00 H ATOM 1036 HB VAL A 88 0.686 -18.129 22.700 1.00 0.00 H ATOM 1037 HG11 VAL A 88 2.623 -17.386 23.959 1.00 0.00 H ATOM 1038 HG12 VAL A 88 3.700 -18.326 22.898 1.00 0.00 H ATOM 1039 HG13 VAL A 88 2.787 -16.945 22.242 1.00 0.00 H ATOM 1040 HG21 VAL A 88 2.506 -19.794 20.961 1.00 0.00 H ATOM 1041 HG22 VAL A 88 0.726 -19.749 20.924 1.00 0.00 H ATOM 1042 HG23 VAL A 88 1.663 -18.303 20.474 1.00 0.00 H ATOM 1043 H VAL A 88 2.879 -21.362 22.692 1.00 0.00 H ATOM 1044 N PRO A 89 -0.829 -20.322 24.079 1.00 27.36 N ATOM 1045 CA PRO A 89 -2.105 -21.088 23.898 1.00 26.74 C ATOM 1046 C PRO A 89 -2.814 -20.757 22.565 1.00 25.48 C ATOM 1047 O PRO A 89 -3.621 -21.524 22.037 1.00 25.60 O ATOM 1048 CB PRO A 89 -2.957 -20.633 25.102 1.00 27.72 C ATOM 1049 CG PRO A 89 -2.386 -19.301 25.496 1.00 28.08 C ATOM 1050 CD PRO A 89 -0.940 -19.247 25.084 1.00 26.95 C ATOM 1051 HA PRO A 89 -1.937 -22.164 23.858 1.00 0.00 H ATOM 1052 HD3 PRO A 89 -0.694 -18.279 24.648 1.00 0.00 H ATOM 1053 HD2 PRO A 89 -0.285 -19.438 25.934 1.00 0.00 H ATOM 1054 HG3 PRO A 89 -2.464 -19.175 26.576 1.00 0.00 H ATOM 1055 HG2 PRO A 89 -2.938 -18.504 24.998 1.00 0.00 H ATOM 1056 HB2 PRO A 89 -4.004 -20.533 24.816 1.00 0.00 H ATOM 1057 HB3 PRO A 89 -2.873 -21.345 25.923 1.00 0.00 H ATOM 1058 N SER A 90 -2.518 -19.580 22.055 1.00 26.20 N ATOM 1059 CA SER A 90 -3.095 -19.081 20.805 1.00 27.39 C ATOM 1060 C SER A 90 -2.216 -17.960 20.284 1.00 26.49 C ATOM 1061 O SER A 90 -1.363 -17.488 20.999 1.00 26.35 O ATOM 1062 CB SER A 90 -4.516 -18.551 21.018 1.00 29.62 C ATOM 1063 OG SER A 90 -4.486 -17.315 21.697 1.00 31.80 O ATOM 1064 HA SER A 90 -3.145 -19.902 20.089 1.00 0.00 H ATOM 1065 HB2 SER A 90 -5.083 -19.271 21.608 1.00 0.00 H ATOM 1066 HB3 SER A 90 -4.998 -18.417 20.050 1.00 0.00 H ATOM 1067 HG SER A 90 -3.974 -16.658 21.162 1.00 0.00 H ATOM 1068 H SER A 90 -1.842 -18.976 22.564 1.00 0.00 H ATOM 1069 N PHE A 91 -2.409 -17.587 19.020 1.00 26.42 N ATOM 1070 CA PHE A 91 -1.721 -16.475 18.372 1.00 25.74 C ATOM 1071 C PHE A 91 -2.525 -16.006 17.166 1.00 27.28 C ATOM 1072 O PHE A 91 -3.434 -16.721 16.698 1.00 29.04 O ATOM 1073 CB PHE A 91 -0.258 -16.828 18.034 1.00 23.98 C ATOM 1074 CG PHE A 91 -0.067 -17.906 16.989 1.00 22.96 C ATOM 1075 CD1 PHE A 91 0.084 -17.566 15.640 1.00 22.63 C ATOM 1076 CD2 PHE A 91 -0.003 -19.248 17.345 1.00 22.51 C ATOM 1077 CE1 PHE A 91 0.272 -18.544 14.685 1.00 21.84 C ATOM 1078 CE2 PHE A 91 0.150 -20.238 16.381 1.00 22.07 C ATOM 1079 CZ PHE A 91 0.304 -19.885 15.056 1.00 21.68 C ATOM 1080 HA PHE A 91 -1.659 -15.638 19.067 1.00 0.00 H ATOM 1081 HB2 PHE A 91 0.231 -15.922 17.674 1.00 0.00 H ATOM 1082 HB3 PHE A 91 0.227 -17.161 18.952 1.00 0.00 H ATOM 1083 HD2 PHE A 91 -0.074 -19.528 18.396 1.00 0.00 H ATOM 1084 HE2 PHE A 91 0.148 -21.289 16.671 1.00 0.00 H ATOM 1085 HZ PHE A 91 0.451 -20.656 14.300 1.00 0.00 H ATOM 1086 HE1 PHE A 91 0.396 -18.266 13.638 1.00 0.00 H ATOM 1087 HD1 PHE A 91 0.053 -16.518 15.341 1.00 0.00 H ATOM 1088 H PHE A 91 -3.097 -18.125 18.456 1.00 0.00 H ATOM 1089 N SER A 92 -2.196 -14.814 16.673 1.00 28.91 N ATOM 1090 CA SER A 92 -2.835 -14.194 15.510 1.00 30.66 C ATOM 1091 C SER A 92 -1.915 -14.226 14.295 1.00 31.81 C ATOM 1092 O SER A 92 -0.744 -13.866 14.382 1.00 34.07 O ATOM 1093 CB SER A 92 -3.189 -12.748 15.827 1.00 33.64 C ATOM 1094 OG SER A 92 -3.481 -12.000 14.660 1.00 37.72 O ATOM 1095 HA SER A 92 -3.738 -14.760 15.280 1.00 0.00 H ATOM 1096 HB2 SER A 92 -2.346 -12.284 16.340 1.00 0.00 H ATOM 1097 HB3 SER A 92 -4.062 -12.735 16.480 1.00 0.00 H ATOM 1098 HG SER A 92 -3.705 -11.069 14.913 1.00 0.00 H ATOM 1099 H SER A 92 -1.434 -14.287 17.146 1.00 0.00 H ATOM 1100 N VAL A 93 -2.432 -14.669 13.152 1.00 32.70 N ATOM 1101 CA VAL A 93 -1.642 -14.719 11.910 1.00 32.74 C ATOM 1102 C VAL A 93 -1.265 -13.321 11.428 1.00 35.22 C ATOM 1103 O VAL A 93 -0.273 -13.175 10.730 1.00 35.82 O ATOM 1104 CB VAL A 93 -2.328 -15.531 10.806 1.00 32.97 C ATOM 1105 CG1 VAL A 93 -2.844 -16.823 11.392 1.00 33.63 C ATOM 1106 CG2 VAL A 93 -3.545 -14.811 10.306 1.00 39.51 C ATOM 1107 HA VAL A 93 -0.719 -15.245 12.152 1.00 0.00 H ATOM 1108 HB VAL A 93 -1.602 -15.689 10.009 1.00 0.00 H ATOM 1109 HG11 VAL A 93 -2.010 -17.392 11.803 1.00 0.00 H ATOM 1110 HG12 VAL A 93 -3.560 -16.601 12.184 1.00 0.00 H ATOM 1111 HG13 VAL A 93 -3.333 -17.405 10.611 1.00 0.00 H ATOM 1112 HG21 VAL A 93 -4.245 -14.668 11.129 1.00 0.00 H ATOM 1113 HG22 VAL A 93 -3.252 -13.841 9.904 1.00 0.00 H ATOM 1114 HG23 VAL A 93 -4.019 -15.402 9.523 1.00 0.00 H ATOM 1115 H VAL A 93 -3.421 -14.989 13.135 1.00 0.00 H ATOM 1116 N LYS A 94 -2.028 -12.305 11.867 1.00 36.46 N ATOM 1117 CA LYS A 94 -1.756 -10.888 11.578 1.00 37.24 C ATOM 1118 C LYS A 94 -0.542 -10.314 12.325 1.00 37.88 C ATOM 1119 O LYS A 94 -0.037 -9.295 11.928 1.00 41.17 O ATOM 1120 CB LYS A 94 -2.987 -10.037 11.880 1.00 37.79 C ATOM 1121 CG LYS A 94 -4.247 -10.356 11.074 1.00 38.35 C ATOM 1122 CD LYS A 94 -4.931 -9.078 10.590 1.00 41.69 C ATOM 1123 CE LYS A 94 -6.406 -9.279 10.287 1.00 43.24 C ATOM 1124 NZ LYS A 94 -7.248 -9.271 11.515 1.00 44.23 N ATOM 1125 HA LYS A 94 -1.513 -10.849 10.516 1.00 0.00 H ATOM 1126 HB2 LYS A 94 -3.227 -10.163 12.936 1.00 0.00 H ATOM 1127 HB3 LYS A 94 -2.726 -8.996 11.690 1.00 0.00 H ATOM 1128 HG2 LYS A 94 -3.973 -10.962 10.210 1.00 0.00 H ATOM 1129 HG3 LYS A 94 -4.940 -10.914 11.703 1.00 0.00 H ATOM 1130 HD2 LYS A 94 -4.835 -8.316 11.364 1.00 0.00 H ATOM 1131 HD3 LYS A 94 -4.432 -8.738 9.683 1.00 0.00 H ATOM 1132 HE2 LYS A 94 -6.532 -10.237 9.783 1.00 0.00 H ATOM 1133 HE3 LYS A 94 -6.740 -8.477 9.629 1.00 0.00 H ATOM 1134 HZ1 LYS A 94 -6.944 -10.038 12.148 1.00 0.00 H ATOM 1135 HZ2 LYS A 94 -7.142 -8.357 12.000 1.00 0.00 H ATOM 1136 HZ3 LYS A 94 -8.244 -9.412 11.252 1.00 0.00 H ATOM 1137 H LYS A 94 -2.861 -12.534 12.446 1.00 0.00 H ATOM 1138 N GLU A 95 -0.069 -10.965 13.386 1.00 36.00 N ATOM 1139 CA GLU A 95 1.094 -10.511 14.142 1.00 35.91 C ATOM 1140 C GLU A 95 2.372 -11.189 13.636 1.00 35.97 C ATOM 1141 O GLU A 95 2.889 -12.117 14.268 1.00 36.15 O ATOM 1142 CB GLU A 95 0.859 -10.687 15.650 1.00 35.12 C ATOM 1143 CG GLU A 95 0.018 -9.546 16.189 1.00 39.06 C ATOM 1144 CD GLU A 95 -0.827 -9.928 17.383 1.00 40.48 C ATOM 1145 OE1 GLU A 95 -0.492 -10.915 18.054 1.00 39.02 O ATOM 1146 OE2 GLU A 95 -1.827 -9.229 17.653 1.00 43.27 O ATOM 1147 HA GLU A 95 1.237 -9.443 13.978 1.00 0.00 H ATOM 1148 HB2 GLU A 95 0.341 -11.630 15.826 1.00 0.00 H ATOM 1149 HB3 GLU A 95 1.820 -10.700 16.165 1.00 0.00 H ATOM 1150 HG2 GLU A 95 0.685 -8.735 16.483 1.00 0.00 H ATOM 1151 HG3 GLU A 95 -0.644 -9.200 15.395 1.00 0.00 H ATOM 1152 H GLU A 95 -0.550 -11.836 13.689 1.00 0.00 H ATOM 1153 N HIS A 96 2.871 -10.714 12.494 1.00 37.61 N ATOM 1154 CA HIS A 96 3.976 -11.357 11.749 1.00 37.81 C ATOM 1155 C HIS A 96 5.285 -11.426 12.502 1.00 36.65 C ATOM 1156 O HIS A 96 5.944 -12.480 12.500 1.00 35.47 O ATOM 1157 CB HIS A 96 4.251 -10.653 10.425 1.00 43.78 C ATOM 1158 CG HIS A 96 3.056 -10.527 9.501 1.00 50.55 C ATOM 1159 ND1 HIS A 96 3.061 -9.682 8.439 1.00 58.63 N ATOM 1160 CD2 HIS A 96 1.820 -11.173 9.479 1.00 49.74 C ATOM 1161 CE1 HIS A 96 1.879 -9.765 7.795 1.00 56.88 C ATOM 1162 NE2 HIS A 96 1.121 -10.675 8.436 1.00 52.55 N ATOM 1163 HA HIS A 96 3.618 -12.374 11.590 1.00 0.00 H ATOM 1164 HB2 HIS A 96 4.615 -9.649 10.645 1.00 0.00 H ATOM 1165 HB3 HIS A 96 5.026 -11.212 9.900 1.00 0.00 H ATOM 1166 HD2 HIS A 96 1.480 -11.939 10.176 1.00 0.00 H ATOM 1167 HE1 HIS A 96 1.589 -9.196 6.912 1.00 0.00 H ATOM 1168 H HIS A 96 2.460 -9.842 12.105 1.00 0.00 H ATOM 1169 N ARG A 97 5.673 -10.314 13.147 1.00 35.74 N ATOM 1170 CA ARG A 97 6.886 -10.227 13.959 1.00 34.09 C ATOM 1171 C ARG A 97 6.882 -11.265 15.097 1.00 32.66 C ATOM 1172 O ARG A 97 7.886 -11.947 15.304 1.00 33.09 O ATOM 1173 CB ARG A 97 7.107 -8.793 14.470 1.00 36.11 C ATOM 1174 CG ARG A 97 7.670 -7.849 13.411 1.00 38.18 C ATOM 1175 CD ARG A 97 7.094 -6.446 13.479 1.00 40.50 C ATOM 1176 NE ARG A 97 7.610 -5.708 14.610 1.00 42.57 N ATOM 1177 CZ ARG A 97 7.698 -4.382 14.633 1.00 46.37 C ATOM 1178 NH1 ARG A 97 7.295 -3.680 13.583 1.00 47.71 N ATOM 1179 NH2 ARG A 97 8.191 -3.753 15.698 1.00 48.03 N ATOM 1180 HA ARG A 97 7.736 -10.472 13.322 1.00 0.00 H ATOM 1181 HB2 ARG A 97 6.151 -8.397 14.812 1.00 0.00 H ATOM 1182 HB3 ARG A 97 7.804 -8.828 15.307 1.00 0.00 H ATOM 1183 HG2 ARG A 97 8.750 -7.785 13.545 1.00 0.00 H ATOM 1184 HG3 ARG A 97 7.451 -8.264 12.427 1.00 0.00 H ATOM 1185 HD2 ARG A 97 6.010 -6.513 13.566 1.00 0.00 H ATOM 1186 HD3 ARG A 97 7.351 -5.914 12.563 1.00 0.00 H ATOM 1187 HE ARG A 97 7.927 -6.240 15.445 1.00 0.00 H ATOM 1188 HH12 ARG A 97 7.361 -2.642 13.595 1.00 0.00 H ATOM 1189 HH11 ARG A 97 6.913 -4.167 12.747 1.00 0.00 H ATOM 1190 HH22 ARG A 97 8.255 -2.715 15.705 1.00 0.00 H ATOM 1191 HH21 ARG A 97 8.512 -4.300 16.523 1.00 0.00 H ATOM 1192 H ARG A 97 5.077 -9.466 13.064 1.00 0.00 H ATOM 1193 N LYS A 98 5.749 -11.431 15.795 1.00 31.80 N ATOM 1194 CA LYS A 98 5.640 -12.425 16.889 1.00 30.41 C ATOM 1195 C LYS A 98 5.756 -13.892 16.399 1.00 28.43 C ATOM 1196 O LYS A 98 6.470 -14.681 17.018 1.00 29.10 O ATOM 1197 CB LYS A 98 4.408 -12.154 17.792 1.00 31.14 C ATOM 1198 CG LYS A 98 4.235 -13.177 18.922 1.00 30.53 C ATOM 1199 CD LYS A 98 2.950 -13.004 19.726 1.00 31.41 C ATOM 1200 CE LYS A 98 2.721 -14.197 20.661 1.00 30.26 C ATOM 1201 NZ LYS A 98 1.282 -14.395 20.996 1.00 29.44 N ATOM 1202 HA LYS A 98 6.513 -12.289 17.527 1.00 0.00 H ATOM 1203 HB2 LYS A 98 4.518 -11.165 18.237 1.00 0.00 H ATOM 1204 HB3 LYS A 98 3.514 -12.174 17.169 1.00 0.00 H ATOM 1205 HG2 LYS A 98 4.233 -14.175 18.484 1.00 0.00 H ATOM 1206 HG3 LYS A 98 5.081 -13.082 19.603 1.00 0.00 H ATOM 1207 HD2 LYS A 98 3.021 -12.093 20.321 1.00 0.00 H ATOM 1208 HD3 LYS A 98 2.108 -12.923 19.039 1.00 0.00 H ATOM 1209 HE2 LYS A 98 3.275 -14.028 21.585 1.00 0.00 H ATOM 1210 HE3 LYS A 98 3.094 -15.099 20.175 1.00 0.00 H ATOM 1211 HZ1 LYS A 98 0.917 -13.544 21.469 1.00 0.00 H ATOM 1212 HZ2 LYS A 98 0.744 -14.565 20.122 1.00 0.00 H ATOM 1213 HZ3 LYS A 98 1.184 -15.214 21.630 1.00 0.00 H ATOM 1214 H LYS A 98 4.922 -10.845 15.562 1.00 0.00 H ATOM 1215 N ILE A 99 5.130 -14.231 15.270 1.00 27.43 N ATOM 1216 CA ILE A 99 5.280 -15.555 14.634 1.00 27.00 C ATOM 1217 C ILE A 99 6.769 -15.884 14.332 1.00 28.17 C ATOM 1218 O ILE A 99 7.235 -16.995 14.611 1.00 29.92 O ATOM 1219 CB ILE A 99 4.383 -15.708 13.358 1.00 27.70 C ATOM 1220 CG1 ILE A 99 2.909 -15.718 13.755 1.00 28.53 C ATOM 1221 CG2 ILE A 99 4.702 -16.979 12.540 1.00 26.06 C ATOM 1222 CD1 ILE A 99 1.926 -15.536 12.604 1.00 30.83 C ATOM 1223 HA ILE A 99 4.925 -16.290 15.357 1.00 0.00 H ATOM 1224 HB ILE A 99 4.602 -14.851 12.720 1.00 0.00 H ATOM 1225 HG12 ILE A 99 2.695 -16.673 14.234 1.00 0.00 H ATOM 1226 HG13 ILE A 99 2.746 -14.911 14.469 1.00 0.00 H ATOM 1227 HD11 ILE A 99 2.111 -14.578 12.118 1.00 0.00 H ATOM 1228 HD12 ILE A 99 2.060 -16.342 11.883 1.00 0.00 H ATOM 1229 HD13 ILE A 99 0.907 -15.558 12.991 1.00 0.00 H ATOM 1230 HG21 ILE A 99 5.741 -16.947 12.212 1.00 0.00 H ATOM 1231 HG22 ILE A 99 4.544 -17.860 13.163 1.00 0.00 H ATOM 1232 HG23 ILE A 99 4.046 -17.024 11.671 1.00 0.00 H ATOM 1233 H ILE A 99 4.508 -13.531 14.818 1.00 0.00 H ATOM 1234 N TYR A 100 7.513 -14.941 13.765 1.00 27.91 N ATOM 1235 CA TYR A 100 8.897 -15.177 13.431 1.00 28.67 C ATOM 1236 C TYR A 100 9.705 -15.336 14.717 1.00 28.69 C ATOM 1237 O TYR A 100 10.567 -16.225 14.799 1.00 27.73 O ATOM 1238 CB TYR A 100 9.438 -14.016 12.585 1.00 32.89 C ATOM 1239 CG TYR A 100 9.018 -13.979 11.116 1.00 34.96 C ATOM 1240 CD1 TYR A 100 7.694 -13.983 10.717 1.00 34.04 C ATOM 1241 CD2 TYR A 100 9.985 -13.849 10.130 1.00 41.96 C ATOM 1242 CE1 TYR A 100 7.340 -13.916 9.381 1.00 34.68 C ATOM 1243 CE2 TYR A 100 9.638 -13.771 8.775 1.00 42.74 C ATOM 1244 CZ TYR A 100 8.308 -13.818 8.427 1.00 37.48 C ATOM 1245 OH TYR A 100 7.994 -13.759 7.116 1.00 37.77 O ATOM 1246 HA TYR A 100 8.984 -16.092 12.845 1.00 0.00 H ATOM 1247 HB3 TYR A 100 10.526 -14.064 12.616 1.00 0.00 H ATOM 1248 HB2 TYR A 100 9.104 -13.087 13.047 1.00 0.00 H ATOM 1249 HD2 TYR A 100 11.036 -13.807 10.415 1.00 0.00 H ATOM 1250 HE2 TYR A 100 10.408 -13.675 8.010 1.00 0.00 H ATOM 1251 HE1 TYR A 100 6.289 -13.942 9.092 1.00 0.00 H ATOM 1252 HD1 TYR A 100 6.911 -14.040 11.473 1.00 0.00 H ATOM 1253 HH TYR A 100 7.011 -13.802 7.011 1.00 0.00 H ATOM 1254 H TYR A 100 7.090 -14.014 13.558 1.00 0.00 H ATOM 1255 N THR A 101 9.415 -14.496 15.728 1.00 27.87 N ATOM 1256 CA THR A 101 10.106 -14.604 17.007 1.00 28.51 C ATOM 1257 C THR A 101 9.953 -16.042 17.529 1.00 28.77 C ATOM 1258 O THR A 101 10.955 -16.683 17.898 1.00 28.61 O ATOM 1259 CB THR A 101 9.589 -13.602 18.050 1.00 28.17 C ATOM 1260 OG1 THR A 101 9.689 -12.281 17.509 1.00 29.96 O ATOM 1261 CG2 THR A 101 10.386 -13.696 19.351 1.00 27.52 C ATOM 1262 HA THR A 101 11.156 -14.363 16.844 1.00 0.00 H ATOM 1263 HB THR A 101 8.550 -13.836 18.281 1.00 0.00 H ATOM 1264 HG1 THR A 101 9.143 -12.221 16.685 1.00 0.00 H ATOM 1265 HG23 THR A 101 10.303 -14.705 19.754 1.00 0.00 H ATOM 1266 HG21 THR A 101 11.433 -13.468 19.151 1.00 0.00 H ATOM 1267 HG22 THR A 101 9.988 -12.982 20.072 1.00 0.00 H ATOM 1268 H THR A 101 8.690 -13.762 15.595 1.00 0.00 H ATOM 1269 N MET A 102 8.706 -16.542 17.521 1.00 27.43 N ATOM 1270 CA MET A 102 8.395 -17.876 17.982 1.00 27.20 C ATOM 1271 C MET A 102 9.104 -18.993 17.204 1.00 26.46 C ATOM 1272 O MET A 102 9.593 -19.972 17.818 1.00 25.35 O ATOM 1273 CB MET A 102 6.886 -18.064 18.055 1.00 27.54 C ATOM 1274 CG MET A 102 6.317 -17.194 19.169 1.00 30.04 C ATOM 1275 SD MET A 102 4.590 -17.625 19.470 1.00 35.40 S ATOM 1276 CE MET A 102 3.833 -17.011 17.935 1.00 31.17 C ATOM 1277 HA MET A 102 8.802 -17.969 18.989 1.00 0.00 H ATOM 1278 HB2 MET A 102 6.438 -17.776 17.104 1.00 0.00 H ATOM 1279 HB3 MET A 102 6.660 -19.110 18.260 1.00 0.00 H ATOM 1280 HG2 MET A 102 6.382 -16.146 18.877 1.00 0.00 H ATOM 1281 HG3 MET A 102 6.893 -17.353 20.081 1.00 0.00 H ATOM 1282 HE1 MET A 102 4.012 -15.939 17.846 1.00 0.00 H ATOM 1283 HE2 MET A 102 4.275 -17.526 17.082 1.00 0.00 H ATOM 1284 HE3 MET A 102 2.760 -17.201 17.960 1.00 0.00 H ATOM 1285 H MET A 102 7.932 -15.944 17.168 1.00 0.00 H ATOM 1286 N ILE A 103 9.204 -18.815 15.882 1.00 24.49 N ATOM 1287 CA ILE A 103 9.913 -19.747 15.021 1.00 24.40 C ATOM 1288 C ILE A 103 11.415 -19.725 15.304 1.00 25.97 C ATOM 1289 O ILE A 103 12.036 -20.784 15.461 1.00 27.99 O ATOM 1290 CB ILE A 103 9.629 -19.452 13.523 1.00 25.08 C ATOM 1291 CG1 ILE A 103 8.132 -19.714 13.199 1.00 24.04 C ATOM 1292 CG2 ILE A 103 10.612 -20.187 12.593 1.00 25.07 C ATOM 1293 CD1 ILE A 103 7.723 -19.160 11.845 1.00 24.78 C ATOM 1294 HA ILE A 103 9.544 -20.748 15.243 1.00 0.00 H ATOM 1295 HB ILE A 103 9.809 -18.394 13.330 1.00 0.00 H ATOM 1296 HG12 ILE A 103 7.956 -20.790 13.204 1.00 0.00 H ATOM 1297 HG13 ILE A 103 7.520 -19.243 13.969 1.00 0.00 H ATOM 1298 HD11 ILE A 103 7.886 -18.082 11.830 1.00 0.00 H ATOM 1299 HD12 ILE A 103 8.323 -19.630 11.065 1.00 0.00 H ATOM 1300 HD13 ILE A 103 6.668 -19.371 11.671 1.00 0.00 H ATOM 1301 HG21 ILE A 103 11.630 -19.867 12.816 1.00 0.00 H ATOM 1302 HG22 ILE A 103 10.525 -21.262 12.751 1.00 0.00 H ATOM 1303 HG23 ILE A 103 10.375 -19.951 11.556 1.00 0.00 H ATOM 1304 H ILE A 103 8.758 -17.979 15.454 1.00 0.00 H ATOM 1305 N TYR A 104 11.986 -18.526 15.411 1.00 26.85 N ATOM 1306 CA TYR A 104 13.401 -18.332 15.655 1.00 28.15 C ATOM 1307 C TYR A 104 13.894 -19.053 16.875 1.00 29.51 C ATOM 1308 O TYR A 104 14.995 -19.614 16.817 1.00 33.74 O ATOM 1309 CB TYR A 104 13.779 -16.861 15.703 1.00 29.07 C ATOM 1310 CG TYR A 104 13.649 -16.193 14.354 1.00 29.53 C ATOM 1311 CD1 TYR A 104 13.777 -16.922 13.180 1.00 29.28 C ATOM 1312 CD2 TYR A 104 13.410 -14.822 14.252 1.00 31.04 C ATOM 1313 CE1 TYR A 104 13.652 -16.303 11.941 1.00 30.99 C ATOM 1314 CE2 TYR A 104 13.280 -14.193 13.017 1.00 31.81 C ATOM 1315 CZ TYR A 104 13.415 -14.930 11.866 1.00 31.68 C ATOM 1316 OH TYR A 104 13.300 -14.306 10.646 1.00 33.93 O ATOM 1317 HA TYR A 104 13.906 -18.780 14.799 1.00 0.00 H ATOM 1318 HB3 TYR A 104 14.812 -16.775 16.039 1.00 0.00 H ATOM 1319 HB2 TYR A 104 13.124 -16.353 16.411 1.00 0.00 H ATOM 1320 HD2 TYR A 104 13.323 -14.229 15.162 1.00 0.00 H ATOM 1321 HE2 TYR A 104 13.073 -13.124 12.964 1.00 0.00 H ATOM 1322 HE1 TYR A 104 13.739 -16.891 11.027 1.00 0.00 H ATOM 1323 HD1 TYR A 104 13.978 -17.992 13.230 1.00 0.00 H ATOM 1324 HH TYR A 104 13.993 -13.603 10.569 1.00 0.00 H ATOM 1325 H TYR A 104 11.384 -17.684 15.314 1.00 0.00 H ATOM 1326 N ARG A 105 13.100 -19.103 17.946 1.00 28.64 N ATOM 1327 CA ARG A 105 13.482 -19.804 19.180 1.00 29.12 C ATOM 1328 C ARG A 105 13.610 -21.306 18.947 1.00 30.81 C ATOM 1329 O ARG A 105 14.284 -21.973 19.739 1.00 34.21 O ATOM 1330 CB ARG A 105 12.494 -19.539 20.297 1.00 28.94 C ATOM 1331 CG ARG A 105 12.251 -18.056 20.623 1.00 29.73 C ATOM 1332 CD ARG A 105 11.660 -17.854 22.012 1.00 30.68 C ATOM 1333 NE ARG A 105 11.070 -16.513 22.249 1.00 33.00 N ATOM 1334 CZ ARG A 105 11.759 -15.428 22.671 1.00 33.35 C ATOM 1335 NH1 ARG A 105 13.064 -15.503 22.898 1.00 33.58 N ATOM 1336 NH2 ARG A 105 11.152 -14.254 22.871 1.00 33.51 N ATOM 1337 HA ARG A 105 14.455 -19.413 19.479 1.00 0.00 H ATOM 1338 HB2 ARG A 105 11.539 -19.983 20.014 1.00 0.00 H ATOM 1339 HB3 ARG A 105 12.866 -20.025 21.199 1.00 0.00 H ATOM 1340 HG2 ARG A 105 13.201 -17.525 20.566 1.00 0.00 H ATOM 1341 HG3 ARG A 105 11.562 -17.644 19.886 1.00 0.00 H ATOM 1342 HD2 ARG A 105 12.453 -18.010 22.744 1.00 0.00 H ATOM 1343 HD3 ARG A 105 10.879 -18.599 22.160 1.00 0.00 H ATOM 1344 HE ARG A 105 10.051 -16.399 22.078 1.00 0.00 H ATOM 1345 HH12 ARG A 105 13.585 -14.663 23.222 1.00 0.00 H ATOM 1346 HH11 ARG A 105 13.566 -16.402 22.752 1.00 0.00 H ATOM 1347 HH22 ARG A 105 11.702 -13.433 23.196 1.00 0.00 H ATOM 1348 HH21 ARG A 105 10.130 -14.162 22.702 1.00 0.00 H ATOM 1349 H ARG A 105 12.176 -18.628 17.906 1.00 0.00 H ATOM 1350 N ASN A 106 13.050 -21.819 17.830 1.00 29.27 N ATOM 1351 CA ASN A 106 13.043 -23.249 17.522 1.00 28.74 C ATOM 1352 C ASN A 106 14.024 -23.611 16.391 1.00 30.18 C ATOM 1353 O ASN A 106 14.025 -24.734 15.860 1.00 29.18 O ATOM 1354 CB ASN A 106 11.608 -23.739 17.267 1.00 27.40 C ATOM 1355 CG ASN A 106 10.768 -23.704 18.528 1.00 26.87 C ATOM 1356 OD1 ASN A 106 9.985 -22.781 18.727 1.00 26.69 O ATOM 1357 ND2 ASN A 106 10.962 -24.673 19.408 1.00 27.18 N ATOM 1358 HA ASN A 106 13.412 -23.786 18.396 1.00 0.00 H ATOM 1359 HB2 ASN A 106 11.145 -23.099 16.516 1.00 0.00 H ATOM 1360 HB3 ASN A 106 11.645 -24.763 16.896 1.00 0.00 H ATOM 1361 HD22 ASN A 106 11.636 -25.437 19.200 1.00 0.00 H ATOM 1362 HD21 ASN A 106 10.441 -24.670 20.308 1.00 0.00 H ATOM 1363 H ASN A 106 12.602 -21.166 17.156 1.00 0.00 H ATOM 1364 N LEU A 107 14.894 -22.654 16.069 1.00 31.31 N ATOM 1365 CA LEU A 107 15.991 -22.840 15.112 1.00 32.03 C ATOM 1366 C LEU A 107 17.288 -22.850 15.874 1.00 36.04 C ATOM 1367 O LEU A 107 17.406 -22.175 16.924 1.00 39.68 O ATOM 1368 CB LEU A 107 16.035 -21.708 14.084 1.00 30.11 C ATOM 1369 CG LEU A 107 14.772 -21.563 13.277 1.00 28.45 C ATOM 1370 CD1 LEU A 107 14.934 -20.371 12.393 1.00 30.43 C ATOM 1371 CD2 LEU A 107 14.482 -22.799 12.483 1.00 28.08 C ATOM 1372 HA LEU A 107 15.834 -23.779 14.581 1.00 0.00 H ATOM 1373 HB2 LEU A 107 16.214 -20.772 14.613 1.00 0.00 H ATOM 1374 HB3 LEU A 107 16.860 -21.900 13.398 1.00 0.00 H ATOM 1375 HG LEU A 107 13.919 -21.423 13.941 1.00 0.00 H ATOM 1376 HD21 LEU A 107 15.308 -22.992 11.799 1.00 0.00 H ATOM 1377 HD22 LEU A 107 14.364 -23.645 13.160 1.00 0.00 H ATOM 1378 HD23 LEU A 107 13.563 -22.656 11.914 1.00 0.00 H ATOM 1379 HD11 LEU A 107 15.097 -19.485 13.006 1.00 0.00 H ATOM 1380 HD12 LEU A 107 15.790 -20.522 11.735 1.00 0.00 H ATOM 1381 HD13 LEU A 107 14.033 -20.239 11.794 1.00 0.00 H ATOM 1382 H LEU A 107 14.790 -21.723 16.521 1.00 0.00 H ATOM 1383 N VAL A 108 18.272 -23.605 15.375 1.00 37.71 N ATOM 1384 CA VAL A 108 19.602 -23.582 15.966 1.00 40.67 C ATOM 1385 C VAL A 108 20.294 -22.244 15.608 1.00 42.64 C ATOM 1386 O VAL A 108 20.101 -21.679 14.541 1.00 42.32 O ATOM 1387 CB VAL A 108 20.416 -24.826 15.576 1.00 45.03 C ATOM 1388 CG1 VAL A 108 21.882 -24.655 16.008 1.00 48.50 C ATOM 1389 CG2 VAL A 108 19.794 -26.098 16.198 1.00 45.04 C ATOM 1390 HA VAL A 108 19.525 -23.630 17.052 1.00 0.00 H ATOM 1391 HB VAL A 108 20.391 -24.939 14.492 1.00 0.00 H ATOM 1392 HG11 VAL A 108 22.305 -23.780 15.514 1.00 0.00 H ATOM 1393 HG12 VAL A 108 21.928 -24.521 17.089 1.00 0.00 H ATOM 1394 HG13 VAL A 108 22.448 -25.543 15.726 1.00 0.00 H ATOM 1395 HG21 VAL A 108 19.788 -26.004 17.284 1.00 0.00 H ATOM 1396 HG22 VAL A 108 18.772 -26.215 15.837 1.00 0.00 H ATOM 1397 HG23 VAL A 108 20.385 -26.968 15.910 1.00 0.00 H ATOM 1398 H VAL A 108 18.085 -24.216 14.555 1.00 0.00 H TER 1399 VAL A 108 HETATM 1400 O HOH 1 11.685 -27.309 18.513 1.00 29.43 O HETATM 1401 O HOH 2 0.267 -27.750 24.175 1.00 37.86 O HETATM 1402 O HOH 3 4.626 -21.510 27.784 1.00 25.77 O HETATM 1403 O HOH 4 14.139 -11.584 10.514 1.00 41.40 O HETATM 1404 O HOH 5 10.510 -10.824 14.464 1.00 26.45 O HETATM 1405 O HOH 6 -12.737 -24.239 14.279 1.00 33.60 O HETATM 1406 O HOH 7 0.583 -33.887 15.515 1.00 44.72 O HETATM 1407 O HOH 8 -0.346 -32.477 18.552 1.00 31.96 O HETATM 1408 O HOH 9 0.074 -33.860 11.436 1.00 41.49 O HETATM 1409 O HOH 10 11.232 -30.291 1.959 1.00 38.06 O HETATM 1410 O HOH 11 1.332 -23.311 3.888 1.00 35.26 O HETATM 1411 O HOH 12 3.892 -7.556 12.713 1.00 31.98 O HETATM 1412 O HOH 13 -5.797 -29.545 28.267 1.00 51.84 O HETATM 1413 O HOH 14 2.520 -30.231 3.173 1.00 36.26 O HETATM 1414 O HOH 15 -0.933 -32.601 4.963 1.00 30.72 O HETATM 1415 O HOH 16 -2.196 -28.051 27.008 1.00 41.79 O HETATM 1416 O HOH 17 -4.931 -14.556 20.040 1.00 40.81 O HETATM 1417 O HOH 18 22.288 -31.843 7.648 1.00 43.37 O HETATM 1418 O HOH 19 -15.516 -21.007 16.843 1.00 37.26 O HETATM 1419 O HOH 20 11.751 -18.527 -3.152 1.00 39.40 O HETATM 1420 O HOH 21 -8.285 -25.570 17.559 1.00 33.64 O HETATM 1421 O HOH 22 -10.406 -24.164 16.499 1.00 48.36 O HETATM 1422 O HOH 23 13.477 -18.031 3.329 1.00 38.61 O HETATM 1423 O HOH 24 9.591 -21.814 23.095 1.00 48.20 O HETATM 1424 O HOH 25 16.985 -35.710 7.029 1.00 49.40 O HETATM 1425 O HOH 26 -2.641 -35.541 17.180 1.00 43.83 O HETATM 1426 O HOH 27 10.352 -25.461 22.155 1.00 42.19 O HETATM 1427 O HOH 28 -12.159 -11.253 12.688 1.00 33.66 O HETATM 1428 O HOH 29 -9.010 -13.413 2.955 1.00 49.81 O HETATM 1429 N GLU A 30 -11.850 -13.037 5.259 1.00 0.24 N HETATM 1430 CA GLU A 30 -10.428 -13.378 5.616 1.00 0.07 C HETATM 1431 C GLU A 30 -10.277 -14.910 5.872 1.00 0.23 C HETATM 1432 O GLU A 30 -10.815 -15.435 6.864 1.00 -0.39 O HETATM 1433 N GLU A 30 -9.610 -15.637 4.971 1.00 -0.26 N HETATM 1434 CA GLU A 30 -9.387 -17.085 5.202 1.00 0.16 C HETATM 1435 C GLU A 30 -7.974 -17.333 5.719 1.00 0.21 C HETATM 1436 O GLU A 30 -7.068 -16.532 5.434 1.00 -0.39 O HETATM 1437 N GLU A 30 -7.775 -18.434 6.458 1.00 -0.26 N HETATM 1438 CA GLU A 30 -6.466 -18.728 7.002 1.00 0.14 C HETATM 1439 C GLU A 30 -5.391 -18.795 5.898 1.00 0.21 C HETATM 1440 O GLU A 30 -4.327 -18.156 6.011 1.00 -0.39 O HETATM 1441 N GLU A 30 -5.689 -19.541 4.827 1.00 -0.26 N HETATM 1442 CA GLU A 30 -4.790 -19.732 3.694 1.00 0.15 C HETATM 1443 C GLU A 30 -4.378 -18.437 3.038 1.00 0.21 C HETATM 1444 O GLU A 30 -3.203 -18.272 2.748 1.00 -0.39 O HETATM 1445 N GLU A 30 -5.310 -17.545 2.819 1.00 -0.26 N HETATM 1446 CA GLU A 30 -5.004 -16.275 2.259 1.00 0.14 C HETATM 1447 C GLU A 30 -4.165 -15.456 3.156 1.00 0.21 C HETATM 1448 O GLU A 30 -3.246 -14.843 2.726 1.00 -0.39 O HETATM 1449 N GLU A 30 -4.516 -15.423 4.413 1.00 -0.26 N HETATM 1450 CA GLU A 30 -3.858 -14.620 5.397 1.00 0.13 C HETATM 1451 C GLU A 30 -2.464 -15.089 5.758 1.00 0.20 C HETATM 1452 O GLU A 30 -1.624 -14.303 6.089 1.00 -0.39 O HETATM 1453 N GLU A 30 -2.247 -16.388 5.732 1.00 -0.26 N HETATM 1454 CA GLU A 30 -0.957 -16.981 6.008 1.00 0.14 C HETATM 1455 C GLU A 30 0.021 -16.702 4.905 1.00 0.21 C HETATM 1456 O GLU A 30 1.168 -16.525 5.147 1.00 -0.39 O HETATM 1457 N GLU A 30 -0.455 -16.673 3.683 1.00 -0.26 N HETATM 1458 CA GLU A 30 0.350 -16.339 2.520 1.00 0.13 C HETATM 1459 C GLU A 30 0.874 -14.884 2.523 1.00 0.20 C HETATM 1460 O GLU A 30 1.759 -14.538 1.746 1.00 -0.39 O HETATM 1461 N GLU A 30 0.382 -14.075 3.448 1.00 -0.26 N HETATM 1462 CA GLU A 30 0.806 -12.687 3.556 1.00 0.13 C HETATM 1463 C GLU A 30 1.946 -12.470 4.537 1.00 0.20 C HETATM 1464 O GLU A 30 2.328 -11.341 4.795 1.00 -0.39 O HETATM 1465 N GLU A 30 2.481 -13.546 5.092 1.00 -0.26 N HETATM 1466 CA GLU A 30 3.482 -13.434 6.139 1.00 0.13 C HETATM 1467 C GLU A 30 4.827 -12.913 5.646 1.00 0.21 C HETATM 1468 O GLU A 30 5.324 -11.900 6.135 1.00 -0.39 O HETATM 1469 N GLU A 30 5.419 -13.608 4.685 1.00 -0.26 N HETATM 1470 CA GLU A 30 6.732 -13.213 4.172 1.00 0.10 C HETATM 1471 C GLU A 30 6.740 -11.772 3.681 1.00 0.06 C HETATM 1472 O GLU A 30 6.556 -10.844 4.513 1.00 -0.57 O HETATM 1473 O GLU A 30 6.928 -11.511 2.463 1.00 -0.57 O HETATM 1474 CB GLU A 30 6.946 -14.175 3.011 1.00 -0.02 C HETATM 1475 CG GLU A 30 6.176 -15.383 3.394 1.00 -0.03 C HETATM 1476 CD GLU A 30 4.963 -14.880 4.101 1.00 0.04 C HETATM 1477 H95 GLU A 30 4.135 -14.716 3.396 1.00 0.05 H HETATM 1478 H96 GLU A 30 4.644 -15.582 4.885 1.00 0.05 H HETATM 1479 H93 GLU A 30 6.772 -16.022 4.062 1.00 0.03 H HETATM 1480 H94 GLU A 30 5.889 -15.955 2.499 1.00 0.03 H HETATM 1481 H91 GLU A 30 8.013 -14.414 2.893 1.00 0.03 H HETATM 1482 H92 GLU A 30 6.561 -13.747 2.074 1.00 0.03 H HETATM 1483 H90 GLU A 30 7.508 -13.341 4.941 1.00 0.07 H HETATM 1484 CB GLU A 30 3.661 -14.772 6.847 1.00 -0.01 C HETATM 1485 CG GLU A 30 3.121 -14.812 8.272 1.00 -0.04 C HETATM 1486 CD1 GLU A 30 1.622 -14.781 8.246 1.00 -0.06 C HETATM 1487 H84 GLU A 30 1.237 -14.810 9.276 1.00 0.02 H HETATM 1488 H85 GLU A 30 1.247 -15.652 7.689 1.00 0.02 H HETATM 1489 H86 GLU A 30 1.283 -13.858 7.754 1.00 0.02 H HETATM 1490 CD2 GLU A 30 3.597 -16.037 8.976 1.00 -0.06 C HETATM 1491 H87 GLU A 30 4.697 -16.049 8.989 1.00 0.02 H HETATM 1492 H88 GLU A 30 3.227 -16.929 8.450 1.00 0.02 H HETATM 1493 H89 GLU A 30 3.218 -16.037 10.009 1.00 0.02 H HETATM 1494 H83 GLU A 30 3.486 -13.928 8.815 1.00 0.03 H HETATM 1495 H81 GLU A 30 4.736 -15.001 6.881 1.00 0.03 H HETATM 1496 H82 GLU A 30 3.140 -15.543 6.261 1.00 0.03 H HETATM 1497 H80 GLU A 30 3.103 -12.710 6.876 1.00 0.08 H HETATM 1498 H79 GLU A 30 2.191 -14.453 4.785 1.00 0.19 H HETATM 1499 CB GLU A 30 -0.364 -11.818 3.993 1.00 -0.01 C HETATM 1500 CG GLU A 30 -1.436 -11.547 2.951 1.00 -0.04 C HETATM 1501 CD1 GLU A 30 -2.635 -10.924 3.618 1.00 -0.06 C HETATM 1502 H73 GLU A 30 -3.412 -10.727 2.865 1.00 0.02 H HETATM 1503 H74 GLU A 30 -2.339 -9.978 4.095 1.00 0.02 H HETATM 1504 H75 GLU A 30 -3.029 -11.612 4.380 1.00 0.02 H HETATM 1505 CD2 GLU A 30 -0.886 -10.642 1.880 1.00 -0.06 C HETATM 1506 H76 GLU A 30 -0.013 -11.119 1.410 1.00 0.02 H HETATM 1507 H77 GLU A 30 -0.583 -9.685 2.329 1.00 0.02 H HETATM 1508 H78 GLU A 30 -1.660 -10.462 1.119 1.00 0.02 H HETATM 1509 H72 GLU A 30 -1.739 -12.499 2.490 1.00 0.03 H HETATM 1510 H70 GLU A 30 0.043 -10.848 4.314 1.00 0.03 H HETATM 1511 H71 GLU A 30 -0.847 -12.314 4.848 1.00 0.03 H HETATM 1512 H69 GLU A 30 1.142 -12.359 2.561 1.00 0.08 H HETATM 1513 H68 GLU A 30 -0.299 -14.427 4.090 1.00 0.19 H HETATM 1514 CB GLU A 30 -0.415 -16.677 1.235 1.00 -0.01 C HETATM 1515 CG GLU A 30 -0.462 -18.169 0.934 1.00 -0.04 C HETATM 1516 CD GLU A 30 -1.439 -18.501 -0.201 1.00 -0.01 C HETATM 1517 CE GLU A 30 -1.702 -20.000 -0.384 1.00 -0.04 C HETATM 1518 NZ GLU A 30 -2.292 -20.647 0.832 1.00 0.22 N HETATM 1519 H65 GLU A 30 -2.442 -21.627 0.652 1.00 0.20 H HETATM 1520 H66 GLU A 30 -3.172 -20.208 1.053 1.00 0.20 H HETATM 1521 H67 GLU A 30 -1.659 -20.541 1.609 1.00 0.20 H HETATM 1522 H63 GLU A 30 -0.749 -20.497 -0.617 1.00 0.08 H HETATM 1523 H64 GLU A 30 -2.399 -20.133 -1.224 1.00 0.08 H HETATM 1524 H61 GLU A 30 -1.024 -18.106 -1.140 1.00 0.03 H HETATM 1525 H62 GLU A 30 -2.398 -18.006 0.013 1.00 0.03 H HETATM 1526 H59 GLU A 30 -0.779 -18.704 1.842 1.00 0.03 H HETATM 1527 H60 GLU A 30 0.545 -18.504 0.644 1.00 0.03 H HETATM 1528 H57 GLU A 30 0.075 -16.167 0.393 1.00 0.03 H HETATM 1529 H58 GLU A 30 -1.447 -16.309 1.336 1.00 0.03 H HETATM 1530 H56 GLU A 30 1.237 -16.989 2.549 1.00 0.08 H HETATM 1531 H55 GLU A 30 -1.421 -16.892 3.545 1.00 0.19 H HETATM 1532 CB GLU A 30 -1.095 -18.484 6.215 1.00 0.00 C HETATM 1533 CG GLU A 30 0.120 -19.143 6.742 1.00 -0.04 C HETATM 1534 CD1 GLU A 30 1.008 -19.854 6.051 1.00 0.02 C HETATM 1535 NE1 GLU A 30 1.995 -20.295 6.858 1.00 -0.29 N HETATM 1536 CE2 GLU A 30 1.750 -19.867 8.124 1.00 0.06 C HETATM 1537 CD2 GLU A 30 0.571 -19.145 8.087 1.00 -0.02 C HETATM 1538 CE3 GLU A 30 0.093 -18.595 9.260 1.00 -0.07 C HETATM 1539 CZ3 GLU A 30 0.787 -18.795 10.389 1.00 -0.08 C HETATM 1540 CH2 GLU A 30 1.947 -19.522 10.400 1.00 -0.08 C HETATM 1541 CZ2 GLU A 30 2.447 -20.069 9.279 1.00 -0.04 C HETATM 1542 H52 GLU A 30 3.365 -20.646 9.292 1.00 0.05 H HETATM 1543 H54 GLU A 30 2.475 -19.660 11.336 1.00 0.05 H HETATM 1544 H53 GLU A 30 0.421 -18.370 11.317 1.00 0.05 H HETATM 1545 H51 GLU A 30 -0.823 -18.015 9.268 1.00 0.05 H HETATM 1546 H50 GLU A 30 2.802 -20.863 6.563 1.00 0.22 H HETATM 1547 H49 GLU A 30 0.946 -20.052 4.982 1.00 0.08 H HETATM 1548 H47 GLU A 30 -1.343 -18.943 5.247 1.00 0.04 H HETATM 1549 H48 GLU A 30 -1.917 -18.659 6.925 1.00 0.04 H HETATM 1550 H46 GLU A 30 -0.567 -16.537 6.935 1.00 0.08 H HETATM 1551 H45 GLU A 30 -3.011 -16.994 5.511 1.00 0.19 H HETATM 1552 CB GLU A 30 -4.715 -14.666 6.632 1.00 -0.01 C HETATM 1553 CG GLU A 30 -5.227 -13.497 7.427 1.00 -0.04 C HETATM 1554 CD1 GLU A 30 -5.290 -12.275 6.667 1.00 -0.06 C HETATM 1555 H39 GLU A 30 -5.671 -11.465 7.306 1.00 0.02 H HETATM 1556 H40 GLU A 30 -5.963 -12.412 5.808 1.00 0.02 H HETATM 1557 H41 GLU A 30 -4.284 -12.015 6.306 1.00 0.02 H HETATM 1558 CD2 GLU A 30 -6.538 -13.884 7.859 1.00 -0.06 C HETATM 1559 H42 GLU A 30 -6.473 -14.818 8.437 1.00 0.02 H HETATM 1560 H43 GLU A 30 -7.182 -14.041 6.981 1.00 0.02 H HETATM 1561 H44 GLU A 30 -6.965 -13.091 8.490 1.00 0.02 H HETATM 1562 H38 GLU A 30 -4.576 -13.332 8.298 1.00 0.03 H HETATM 1563 H36 GLU A 30 -4.141 -15.267 7.352 1.00 0.03 H HETATM 1564 H37 GLU A 30 -5.617 -15.219 6.330 1.00 0.03 H HETATM 1565 H35 GLU A 30 -3.791 -13.587 5.024 1.00 0.08 H HETATM 1566 H34 GLU A 30 -5.287 -15.990 4.704 1.00 0.19 H HETATM 1567 CB GLU A 30 -6.282 -15.511 2.018 1.00 0.04 C HETATM 1568 CG GLU A 30 -7.048 -16.024 0.847 1.00 0.04 C HETATM 1569 OD1 GLU A 30 -6.436 -16.536 -0.109 1.00 -0.57 O HETATM 1570 OD2 GLU A 30 -8.278 -15.919 0.882 1.00 -0.57 O HETATM 1571 H32 GLU A 30 -6.032 -14.455 1.839 1.00 0.05 H HETATM 1572 H33 GLU A 30 -6.914 -15.592 2.914 1.00 0.05 H HETATM 1573 H31 GLU A 30 -4.475 -16.426 1.306 1.00 0.08 H HETATM 1574 H30 GLU A 30 -6.258 -17.762 3.051 1.00 0.19 H HETATM 1575 CB GLU A 30 -5.423 -20.664 2.664 1.00 0.08 C HETATM 1576 OG GLU A 30 -5.708 -21.907 3.290 1.00 -0.39 O HETATM 1577 H29 GLU A 30 -4.902 -22.287 3.618 1.00 0.21 H HETATM 1578 H27 GLU A 30 -4.725 -20.822 1.829 1.00 0.06 H HETATM 1579 H28 GLU A 30 -6.354 -20.218 2.284 1.00 0.06 H HETATM 1580 H26 GLU A 30 -3.878 -20.215 4.075 1.00 0.08 H HETATM 1581 H25 GLU A 30 -6.580 -19.994 4.802 1.00 0.19 H HETATM 1582 CB GLU A 30 -6.466 -20.000 7.835 1.00 0.02 C HETATM 1583 CG GLU A 30 -5.107 -20.358 8.308 1.00 -0.04 C HETATM 1584 CD1 GLU A 30 -4.545 -19.679 9.382 1.00 -0.06 C HETATM 1585 CE1 GLU A 30 -3.274 -19.969 9.803 1.00 -0.07 C HETATM 1586 CZ GLU A 30 -2.529 -20.897 9.099 1.00 -0.07 C HETATM 1587 CE2 GLU A 30 -3.063 -21.564 7.995 1.00 -0.07 C HETATM 1588 CD2 GLU A 30 -4.346 -21.284 7.616 1.00 -0.06 C HETATM 1589 H21 GLU A 30 -4.774 -21.795 6.761 1.00 0.06 H HETATM 1590 H23 GLU A 30 -2.471 -22.290 7.449 1.00 0.06 H HETATM 1591 H24 GLU A 30 -1.513 -21.110 9.410 1.00 0.06 H HETATM 1592 H22 GLU A 30 -2.858 -19.478 10.675 1.00 0.06 H HETATM 1593 H20 GLU A 30 -5.118 -18.913 9.892 1.00 0.06 H HETATM 1594 H18 GLU A 30 -6.857 -20.825 7.222 1.00 0.05 H HETATM 1595 H19 GLU A 30 -7.118 -19.852 8.709 1.00 0.05 H HETATM 1596 H17 GLU A 30 -6.199 -17.898 7.672 1.00 0.08 H HETATM 1597 H16 GLU A 30 -8.537 -19.057 6.635 1.00 0.19 H HETATM 1598 CB GLU A 30 -9.565 -17.974 3.958 1.00 0.09 C HETATM 1599 OG1 GLU A 30 -8.575 -17.622 2.980 1.00 -0.39 O HETATM 1600 H12 GLU A 30 -8.681 -16.709 2.738 1.00 0.21 H HETATM 1601 CG2 GLU A 30 -10.964 -17.855 3.396 1.00 -0.03 C HETATM 1602 H13 GLU A 30 -11.059 -18.500 2.510 1.00 0.03 H HETATM 1603 H14 GLU A 30 -11.157 -16.810 3.111 1.00 0.03 H HETATM 1604 H15 GLU A 30 -11.693 -18.168 4.158 1.00 0.03 H HETATM 1605 H11 GLU A 30 -9.405 -19.022 4.253 1.00 0.06 H HETATM 1606 H10 GLU A 30 -10.110 -17.412 5.963 1.00 0.08 H HETATM 1607 H9 GLU A 30 -9.261 -15.204 4.140 1.00 0.19 H HETATM 1608 CB GLU A 30 -9.949 -12.528 6.832 1.00 0.02 C HETATM 1609 CG GLU A 30 -10.831 -12.598 8.089 1.00 0.01 C HETATM 1610 CD GLU A 30 -10.075 -12.404 9.405 1.00 0.04 C HETATM 1611 OE1 GLU A 30 -9.003 -11.761 9.392 1.00 -0.57 O HETATM 1612 OE2 GLU A 30 -10.576 -12.879 10.463 1.00 -0.57 O HETATM 1613 H7 GLU A 30 -11.316 -13.585 8.114 1.00 0.04 H HETATM 1614 H8 GLU A 30 -11.598 -11.813 8.015 1.00 0.04 H HETATM 1615 H5 GLU A 30 -9.902 -11.477 6.511 1.00 0.04 H HETATM 1616 H6 GLU A 30 -8.941 -12.872 7.108 1.00 0.04 H HETATM 1617 H4 GLU A 30 -9.791 -13.119 4.757 1.00 0.11 H HETATM 1618 H1 GLU A 30 -11.927 -12.045 5.098 1.00 0.20 H HETATM 1619 H2 GLU A 30 -12.460 -13.303 6.016 1.00 0.20 H HETATM 1620 H3 GLU A 30 -12.115 -13.535 4.424 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1429 1430 1618 1619 1620 CONECT 1430 1429 1431 1608 1617 CONECT 1431 1430 1432 1433 CONECT 1432 1431 CONECT 1433 1431 1434 1607 CONECT 1434 1433 1435 1598 1606 CONECT 1435 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 1438 1597 CONECT 1438 1437 1439 1582 1596 CONECT 1439 1438 1440 1441 CONECT 1440 1439 CONECT 1441 1439 1442 1581 CONECT 1442 1441 1443 1575 1580 CONECT 1443 1442 1444 1445 CONECT 1444 1443 CONECT 1445 1443 1446 1574 CONECT 1446 1445 1447 1567 1573 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 1450 1566 CONECT 1450 1449 1451 1552 1565 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1551 CONECT 1454 1453 1455 1532 1550 CONECT 1455 1454 1456 1457 CONECT 1456 1455 CONECT 1457 1455 1458 1531 CONECT 1458 1457 1459 1514 1530 CONECT 1459 1458 1460 1461 CONECT 1460 1459 CONECT 1461 1459 1462 1513 CONECT 1462 1461 1463 1499 1512 CONECT 1463 1462 1464 1465 CONECT 1464 1463 CONECT 1465 1463 1466 1498 CONECT 1466 1465 1467 1484 1497 CONECT 1467 1466 1468 1469 CONECT 1468 1467 CONECT 1469 1467 1470 1476 CONECT 1470 1469 1471 1474 1483 CONECT 1471 1470 1472 1473 CONECT 1472 1471 CONECT 1473 1471 CONECT 1474 1470 1475 1481 1482 CONECT 1475 1474 1476 1479 1480 CONECT 1476 1469 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1475 CONECT 1480 1475 CONECT 1481 1474 CONECT 1482 1474 CONECT 1483 1470 CONECT 1484 1466 1485 1495 1496 CONECT 1485 1484 1486 1490 1494 CONECT 1486 1485 1487 1488 1489 CONECT 1487 1486 CONECT 1488 1486 CONECT 1489 1486 CONECT 1490 1485 1491 1492 1493 CONECT 1491 1490 CONECT 1492 1490 CONECT 1493 1490 CONECT 1494 1485 CONECT 1495 1484 CONECT 1496 1484 CONECT 1497 1466 CONECT 1498 1465 CONECT 1499 1462 1500 1510 1511 CONECT 1500 1499 1501 1505 1509 CONECT 1501 1500 1502 1503 1504 CONECT 1502 1501 CONECT 1503 1501 CONECT 1504 1501 CONECT 1505 1500 1506 1507 1508 CONECT 1506 1505 CONECT 1507 1505 CONECT 1508 1505 CONECT 1509 1500 CONECT 1510 1499 CONECT 1511 1499 CONECT 1512 1462 CONECT 1513 1461 CONECT 1514 1458 1515 1528 1529 CONECT 1515 1514 1516 1526 1527 CONECT 1516 1515 1517 1524 1525 CONECT 1517 1516 1518 1522 1523 CONECT 1518 1517 1519 1520 1521 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1518 CONECT 1522 1517 CONECT 1523 1517 CONECT 1524 1516 CONECT 1525 1516 CONECT 1526 1515 CONECT 1527 1515 CONECT 1528 1514 CONECT 1529 1514 CONECT 1530 1458 CONECT 1531 1457 CONECT 1532 1454 1533 1548 1549 CONECT 1533 1532 1534 1537 CONECT 1534 1533 1535 1547 CONECT 1535 1534 1536 1546 CONECT 1536 1535 1537 1541 CONECT 1537 1533 1536 1538 CONECT 1538 1537 1539 1545 CONECT 1539 1538 1540 1544 CONECT 1540 1539 1541 1543 CONECT 1541 1536 1540 1542 CONECT 1542 1541 CONECT 1543 1540 CONECT 1544 1539 CONECT 1545 1538 CONECT 1546 1535 CONECT 1547 1534 CONECT 1548 1532 CONECT 1549 1532 CONECT 1550 1454 CONECT 1551 1453 CONECT 1552 1450 1553 1563 1564 CONECT 1553 1552 1554 1558 1562 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1553 1559 1560 1561 CONECT 1559 1558 CONECT 1560 1558 CONECT 1561 1558 CONECT 1562 1553 CONECT 1563 1552 CONECT 1564 1552 CONECT 1565 1450 CONECT 1566 1449 CONECT 1567 1446 1568 1571 1572 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1567 CONECT 1572 1567 CONECT 1573 1446 CONECT 1574 1445 CONECT 1575 1442 1576 1578 1579 CONECT 1576 1575 1577 CONECT 1577 1576 CONECT 1578 1575 CONECT 1579 1575 CONECT 1580 1442 CONECT 1581 1441 CONECT 1582 1438 1583 1594 1595 CONECT 1583 1582 1584 1588 CONECT 1584 1583 1585 1593 CONECT 1585 1584 1586 1592 CONECT 1586 1585 1587 1591 CONECT 1587 1586 1588 1590 CONECT 1588 1583 1587 1589 CONECT 1589 1588 CONECT 1590 1587 CONECT 1591 1586 CONECT 1592 1585 CONECT 1593 1584 CONECT 1594 1582 CONECT 1595 1582 CONECT 1596 1438 CONECT 1597 1437 CONECT 1598 1434 1599 1601 1605 CONECT 1599 1598 1600 CONECT 1600 1599 CONECT 1601 1598 1602 1603 1604 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1601 CONECT 1605 1598 CONECT 1606 1434 CONECT 1607 1433 CONECT 1608 1430 1609 1615 1616 CONECT 1609 1608 1610 1613 1614 CONECT 1610 1609 1611 1612 CONECT 1611 1610 CONECT 1612 1610 CONECT 1613 1609 CONECT 1614 1609 CONECT 1615 1608 CONECT 1616 1608 CONECT 1617 1430 CONECT 1618 1429 CONECT 1619 1429 CONECT 1620 1429 MASTER 0 0 0 0 0 0 0 0 1619 1 196 7 END
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Structure:
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Related entries of code: 4hfz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2mwy
RCSB PDB
PDBbind
15aa, >2MWY_2|Chain... at 100%
2ruk
RCSB PDB
PDBbind
22aa, >2RUK_1|Chain... at 100%
2z5s
RCSB PDB
PDBbind
15aa, >2Z5S_2|Chains... at 100%
2z5t
RCSB PDB
PDBbind
15aa, >2Z5T_2|Chains... at 100%
3dab
RCSB PDB
PDBbind
15aa, >3DAB_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
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4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
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RCSB PDB
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4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
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4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
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4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
4hfz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2 (E69A, K70A mutation)
Ligand Name
15-mer
EC.Number
E.C.6.3.2
Resolution
2.69(Å)
Affinity (Kd/Ki/IC50)
Kd=1900nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Acta Crystallogr.,Sect.D Vol. 69: pp. 1358-1366
Ligand Properties
Formula
C
6
5
H
9
9
N
1
3
O
1
8
Molecular Weight
1350.560
Exact Mass
1349.720
No. of atoms
195
No. of bonds
198
Polar Surface Area
505.64
LOGP Value
0.25 (
Computed with XLOGP3
)
0.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)[NH3+])Cc1ccccc1)CO)CC(=O)O)CC(C)C
InChI String
InChI=1S/C65H97N13O18/c1-34(2)26-44(71-61(91)48(31-53(83)84)73-62(92)50(33-79)76-59(89)46(29-38-16-9-8-10-17-38)74-63(93)54(37(7)80)77-55(85)41(67)22-23-52(81)82)57(87)72-47(30-39-32-68-42-19-12-11-18-40(39)42)60(90)69-43(20-13-14-24-66)56(86)70-45(27-35(3)4)58(88)75-49(28-36(5)6)64(94)78-25-15-21-51(78)65(95)96/h8-12,16-19,32,34-37,41,43-51,54,68,79-80H,13-15,20-31,33,66-67H2,1-7H3,(H,69,90)(H,70,86)(H,71,91)(H,72,87)(H,73,92)(H,74,93)(H,75,88)(H,76,89)(H,77,85)(H,81,82)(H,83,84)(H,95,96)/p+2/t37-,41+,43+,44+,45+,46+,47+,48+,49+,50+,51+,54+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q00987
P04637
Entrez Gene ID
NCBI Entrez Gene ID:
4193
7157
ASD
Information of known allosteric effects of PDB entries
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