Browse entries in the PDBbind-CN Database
HEADER 5GOW_COMPLEX COMPND 5GOW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 108 MET ALA THR SER SER GLU GLU VAL LEU LEU ILE VAL LYS SEQRES 2 B 108 LYS VAL ARG GLN LYS LYS GLN ASP GLY ALA LEU TYR LEU SEQRES 3 B 108 MET ALA GLU ARG ILE ALA TRP ALA PRO GLU GLY LYS ASP SEQRES 4 B 108 ARG PHE THR ILE SER HIS MET TYR ALA ASP ILE LYS CYS SEQRES 5 B 108 GLN LYS ILE SER PRO GLU GLY LYS ALA LYS ILE GLN LEU SEQRES 6 B 108 GLN LEU VAL LEU HIS ALA GLY ASP THR THR ASN PHE HIS SEQRES 7 B 108 PHE SER ASN GLU SER THR ALA VAL LYS GLU ARG ASP ALA SEQRES 8 B 108 VAL LYS ASP LEU LEU GLN GLN LEU LEU PRO LYS PHE LYS SEQRES 9 B 108 ARG LYS ALA ASN HET TYR A 109 266 ATOM 1 N MET B 1 3.329 -9.183 -8.340 1.00 0.00 N ATOM 2 CA MET B 1 4.700 -9.722 -8.234 1.00 0.00 C ATOM 3 C MET B 1 5.573 -9.170 -9.352 1.00 0.00 C ATOM 4 O MET B 1 6.311 -8.211 -9.147 1.00 0.00 O ATOM 5 CB MET B 1 4.680 -11.253 -8.283 1.00 0.00 C ATOM 6 CG MET B 1 6.017 -11.890 -7.931 1.00 0.00 C ATOM 7 SD MET B 1 6.624 -11.363 -6.317 1.00 0.00 S ATOM 8 CE MET B 1 8.139 -12.312 -6.193 1.00 0.00 C ATOM 9 HN3 MET B 1 2.920 -9.456 -9.257 1.00 0.00 H ATOM 10 HN2 MET B 1 3.359 -8.146 -8.267 1.00 0.00 H ATOM 11 HN1 MET B 1 2.746 -9.569 -7.570 1.00 0.00 H ATOM 12 N ALA B 2 5.466 -9.766 -10.534 1.00 0.00 N ATOM 13 CA ALA B 2 6.244 -9.336 -11.688 1.00 0.00 C ATOM 14 C ALA B 2 5.597 -9.844 -12.969 1.00 0.00 C ATOM 15 O ALA B 2 6.179 -10.640 -13.706 1.00 0.00 O ATOM 16 CB ALA B 2 7.682 -9.832 -11.581 1.00 0.00 C ATOM 17 H ALA B 2 4.807 -10.564 -10.639 1.00 0.00 H ATOM 18 N THR B 3 4.372 -9.401 -13.210 1.00 0.00 N ATOM 19 CA THR B 3 3.622 -9.811 -14.390 1.00 0.00 C ATOM 20 C THR B 3 2.551 -8.778 -14.734 1.00 0.00 C ATOM 21 O THR B 3 2.641 -8.089 -15.750 1.00 0.00 O ATOM 22 CB THR B 3 2.952 -11.188 -14.188 1.00 0.00 C ATOM 23 OG1 THR B 3 3.896 -12.123 -13.646 1.00 0.00 O ATOM 24 CG2 THR B 3 2.406 -11.727 -15.504 1.00 0.00 C ATOM 25 HG1 THR B 3 4.658 -12.221 -14.271 1.00 0.00 H ATOM 26 H THR B 3 3.933 -8.741 -12.537 1.00 0.00 H ATOM 27 N SER B 4 1.544 -8.664 -13.879 1.00 0.00 N ATOM 28 CA SER B 4 0.460 -7.722 -14.105 1.00 0.00 C ATOM 29 C SER B 4 0.593 -6.505 -13.195 1.00 0.00 C ATOM 30 O SER B 4 0.018 -5.450 -13.461 1.00 0.00 O ATOM 31 CB SER B 4 -0.883 -8.415 -13.875 1.00 0.00 C ATOM 32 OG SER B 4 -0.701 -9.691 -13.282 1.00 0.00 O ATOM 33 HG SER B 4 -0.243 -9.586 -12.410 1.00 0.00 H ATOM 34 H SER B 4 1.529 -9.262 -13.028 1.00 0.00 H ATOM 35 N SER B 5 1.373 -6.646 -12.131 1.00 0.00 N ATOM 36 CA SER B 5 1.580 -5.561 -11.181 1.00 0.00 C ATOM 37 C SER B 5 2.543 -4.515 -11.718 1.00 0.00 C ATOM 38 O SER B 5 3.084 -3.720 -10.965 1.00 0.00 O ATOM 39 CB SER B 5 2.109 -6.115 -9.858 1.00 0.00 C ATOM 40 OG SER B 5 3.098 -7.110 -10.071 1.00 0.00 O ATOM 41 HG SER B 5 3.856 -6.718 -10.573 1.00 0.00 H ATOM 42 H SER B 5 1.850 -7.556 -11.971 1.00 0.00 H ATOM 43 N GLU B 6 2.722 -4.496 -13.021 1.00 0.00 N ATOM 44 CA GLU B 6 3.632 -3.557 -13.648 1.00 0.00 C ATOM 45 C GLU B 6 2.828 -2.476 -14.338 1.00 0.00 C ATOM 46 O GLU B 6 3.367 -1.566 -14.962 1.00 0.00 O ATOM 47 CB GLU B 6 4.567 -4.264 -14.640 1.00 0.00 C ATOM 48 CG GLU B 6 4.834 -5.738 -14.327 1.00 0.00 C ATOM 49 CD GLU B 6 5.311 -5.982 -12.904 1.00 0.00 C ATOM 50 OE1 GLU B 6 4.613 -6.709 -12.155 1.00 0.00 O ATOM 51 OE2 GLU B 6 6.373 -5.447 -12.522 1.00 0.00 O ATOM 52 H GLU B 6 2.199 -5.170 -13.615 1.00 0.00 H ATOM 53 N GLU B 7 1.526 -2.598 -14.184 1.00 0.00 N ATOM 54 CA GLU B 7 0.580 -1.657 -14.749 1.00 0.00 C ATOM 55 C GLU B 7 -0.099 -0.903 -13.618 1.00 0.00 C ATOM 56 O GLU B 7 -0.504 -1.500 -12.615 1.00 0.00 O ATOM 57 CB GLU B 7 -0.456 -2.378 -15.615 1.00 0.00 C ATOM 58 CG GLU B 7 -1.363 -1.434 -16.391 1.00 0.00 C ATOM 59 CD GLU B 7 -0.585 -0.393 -17.176 1.00 0.00 C ATOM 60 OE1 GLU B 7 -0.167 0.619 -16.569 1.00 0.00 O ATOM 61 OE2 GLU B 7 -0.391 -0.590 -18.393 1.00 0.00 O ATOM 62 H GLU B 7 1.162 -3.402 -13.635 1.00 0.00 H ATOM 63 N VAL B 8 -0.226 0.398 -13.782 1.00 0.00 N ATOM 64 CA VAL B 8 -0.818 1.246 -12.763 1.00 0.00 C ATOM 65 C VAL B 8 -2.308 1.440 -12.997 1.00 0.00 C ATOM 66 O VAL B 8 -2.730 1.920 -14.046 1.00 0.00 O ATOM 67 CB VAL B 8 -0.120 2.614 -12.720 1.00 0.00 C ATOM 68 CG1 VAL B 8 -0.798 3.530 -11.714 1.00 0.00 C ATOM 69 CG2 VAL B 8 1.351 2.428 -12.387 1.00 0.00 C ATOM 70 H VAL B 8 0.108 0.830 -14.667 1.00 0.00 H ATOM 71 N LEU B 9 -3.098 1.073 -12.002 1.00 0.00 N ATOM 72 CA LEU B 9 -4.539 1.204 -12.093 1.00 0.00 C ATOM 73 C LEU B 9 -4.998 2.507 -11.450 1.00 0.00 C ATOM 74 O LEU B 9 -6.010 3.086 -11.842 1.00 0.00 O ATOM 75 CB LEU B 9 -5.232 0.017 -11.412 1.00 0.00 C ATOM 76 CG LEU B 9 -4.707 -1.371 -11.796 1.00 0.00 C ATOM 77 CD1 LEU B 9 -5.438 -2.449 -11.012 1.00 0.00 C ATOM 78 CD2 LEU B 9 -4.858 -1.608 -13.292 1.00 0.00 C ATOM 79 H LEU B 9 -2.676 0.682 -11.135 1.00 0.00 H ATOM 80 N LEU B 10 -4.250 2.963 -10.457 1.00 0.00 N ATOM 81 CA LEU B 10 -4.585 4.189 -9.751 1.00 0.00 C ATOM 82 C LEU B 10 -3.376 5.094 -9.590 1.00 0.00 C ATOM 83 O LEU B 10 -2.355 4.681 -9.040 1.00 0.00 O ATOM 84 CB LEU B 10 -5.134 3.850 -8.375 1.00 0.00 C ATOM 85 CG LEU B 10 -5.560 5.058 -7.539 1.00 0.00 C ATOM 86 CD1 LEU B 10 -7.014 5.413 -7.770 1.00 0.00 C ATOM 87 CD2 LEU B 10 -5.316 4.797 -6.069 1.00 0.00 C ATOM 88 H LEU B 10 -3.402 2.431 -10.175 1.00 0.00 H ATOM 89 N ILE B 11 -3.493 6.323 -10.066 1.00 0.00 N ATOM 90 CA ILE B 11 -2.416 7.286 -9.935 1.00 0.00 C ATOM 91 C ILE B 11 -2.803 8.352 -8.927 1.00 0.00 C ATOM 92 O ILE B 11 -3.826 9.022 -9.074 1.00 0.00 O ATOM 93 CB ILE B 11 -2.049 7.973 -11.263 1.00 0.00 C ATOM 94 CG1 ILE B 11 -1.721 6.930 -12.336 1.00 0.00 C ATOM 95 CG2 ILE B 11 -0.870 8.915 -11.038 1.00 0.00 C ATOM 96 CD1 ILE B 11 -1.388 7.527 -13.686 1.00 0.00 C ATOM 97 H ILE B 11 -4.373 6.604 -10.543 1.00 0.00 H ATOM 98 N VAL B 12 -1.985 8.493 -7.909 1.00 0.00 N ATOM 99 CA VAL B 12 -2.213 9.461 -6.863 1.00 0.00 C ATOM 100 C VAL B 12 -1.103 10.492 -6.896 1.00 0.00 C ATOM 101 O VAL B 12 0.025 10.188 -7.280 1.00 0.00 O ATOM 102 CB VAL B 12 -2.259 8.785 -5.485 1.00 0.00 C ATOM 103 CG1 VAL B 12 -2.830 9.717 -4.439 1.00 0.00 C ATOM 104 CG2 VAL B 12 -3.066 7.501 -5.553 1.00 0.00 C ATOM 105 H VAL B 12 -1.143 7.885 -7.855 1.00 0.00 H ATOM 106 N LYS B 13 -1.416 11.698 -6.493 1.00 0.00 N ATOM 107 CA LYS B 13 -0.439 12.767 -6.511 1.00 0.00 C ATOM 108 C LYS B 13 -0.137 13.249 -5.114 1.00 0.00 C ATOM 109 O LYS B 13 -0.784 12.817 -4.168 1.00 0.00 O ATOM 110 CB LYS B 13 -0.935 13.925 -7.365 1.00 0.00 C ATOM 111 CG LYS B 13 -1.053 13.566 -8.829 1.00 0.00 C ATOM 112 CD LYS B 13 -2.337 14.101 -9.434 1.00 0.00 C ATOM 113 CE LYS B 13 -3.569 13.363 -8.916 1.00 0.00 C ATOM 114 NZ LYS B 13 -4.109 13.961 -7.661 1.00 0.00 N ATOM 115 HZ1 LYS B 13 -3.380 13.926 -6.920 1.00 0.00 H ATOM 116 HZ2 LYS B 13 -4.379 14.950 -7.838 1.00 0.00 H ATOM 117 HZ3 LYS B 13 -4.944 13.422 -7.353 1.00 0.00 H ATOM 118 H LYS B 13 -2.380 11.891 -6.155 1.00 0.00 H ATOM 119 N LYS B 14 0.801 14.198 -5.045 1.00 0.00 N ATOM 120 CA LYS B 14 1.286 14.804 -3.796 1.00 0.00 C ATOM 121 C LYS B 14 0.957 13.969 -2.562 1.00 0.00 C ATOM 122 O LYS B 14 0.024 14.259 -1.813 1.00 0.00 O ATOM 123 CB LYS B 14 0.721 16.215 -3.651 1.00 0.00 C ATOM 124 CG LYS B 14 1.506 17.268 -4.415 1.00 0.00 C ATOM 125 CD LYS B 14 2.354 18.113 -3.479 1.00 0.00 C ATOM 126 CE LYS B 14 3.685 18.484 -4.110 1.00 0.00 C ATOM 127 NZ LYS B 14 4.508 17.285 -4.404 1.00 0.00 N ATOM 128 HZ1 LYS B 14 4.697 16.770 -3.520 1.00 0.00 H ATOM 129 HZ2 LYS B 14 3.994 16.667 -5.064 1.00 0.00 H ATOM 130 HZ3 LYS B 14 5.408 17.581 -4.834 1.00 0.00 H ATOM 131 H LYS B 14 1.218 14.532 -5.938 1.00 0.00 H ATOM 132 N VAL B 15 1.717 12.901 -2.402 1.00 0.00 N ATOM 133 CA VAL B 15 1.569 11.994 -1.280 1.00 0.00 C ATOM 134 C VAL B 15 2.896 11.885 -0.551 1.00 0.00 C ATOM 135 O VAL B 15 3.901 11.487 -1.133 1.00 0.00 O ATOM 136 CB VAL B 15 1.107 10.587 -1.733 1.00 0.00 C ATOM 137 CG1 VAL B 15 1.327 9.554 -0.633 1.00 0.00 C ATOM 138 CG2 VAL B 15 -0.355 10.608 -2.136 1.00 0.00 C ATOM 139 H VAL B 15 2.452 12.702 -3.110 1.00 0.00 H ATOM 140 N ARG B 16 2.896 12.258 0.710 1.00 0.00 N ATOM 141 CA ARG B 16 4.090 12.207 1.520 1.00 0.00 C ATOM 142 C ARG B 16 4.222 10.858 2.204 1.00 0.00 C ATOM 143 O ARG B 16 3.290 10.374 2.836 1.00 0.00 O ATOM 144 CB ARG B 16 4.067 13.313 2.572 1.00 0.00 C ATOM 145 CG ARG B 16 4.378 14.690 2.021 1.00 0.00 C ATOM 146 CD ARG B 16 4.198 15.761 3.079 1.00 0.00 C ATOM 147 NE ARG B 16 4.569 15.280 4.411 1.00 0.00 N ATOM 148 CZ ARG B 16 4.408 15.983 5.528 1.00 0.00 C ATOM 149 NH1 ARG B 16 3.932 17.219 5.482 1.00 0.00 N ATOM 150 NH2 ARG B 16 4.714 15.451 6.700 1.00 0.00 N ATOM 151 HE ARG B 16 4.984 14.330 4.488 1.00 0.00 H ATOM 152 HH12 ARG B 16 3.809 17.762 6.360 1.00 0.00 H ATOM 153 HH11 ARG B 16 3.681 17.646 4.567 1.00 0.00 H ATOM 154 HH22 ARG B 16 4.587 16.004 7.571 1.00 0.00 H ATOM 155 HH21 ARG B 16 5.082 14.480 6.750 1.00 0.00 H ATOM 156 H ARG B 16 2.011 12.599 1.136 1.00 0.00 H ATOM 157 N GLN B 17 5.374 10.248 2.053 1.00 0.00 N ATOM 158 CA GLN B 17 5.646 8.973 2.675 1.00 0.00 C ATOM 159 C GLN B 17 6.936 9.086 3.466 1.00 0.00 C ATOM 160 O GLN B 17 8.023 9.139 2.888 1.00 0.00 O ATOM 161 CB GLN B 17 5.749 7.866 1.623 1.00 0.00 C ATOM 162 CG GLN B 17 5.394 6.484 2.152 1.00 0.00 C ATOM 163 CD GLN B 17 6.504 5.851 2.970 1.00 0.00 C ATOM 164 OE1 GLN B 17 6.248 5.139 3.936 1.00 0.00 O ATOM 165 NE2 GLN B 17 7.747 6.100 2.582 1.00 0.00 N ATOM 166 HE22 GLN B 17 7.922 6.709 1.757 1.00 0.00 H ATOM 167 HE21 GLN B 17 8.547 5.686 3.102 1.00 0.00 H ATOM 168 H GLN B 17 6.111 10.694 1.470 1.00 0.00 H ATOM 169 N LYS B 18 6.789 9.173 4.784 1.00 0.00 N ATOM 170 CA LYS B 18 7.916 9.286 5.702 1.00 0.00 C ATOM 171 C LYS B 18 8.568 10.662 5.592 1.00 0.00 C ATOM 172 O LYS B 18 9.782 10.776 5.421 1.00 0.00 O ATOM 173 CB LYS B 18 8.935 8.162 5.463 1.00 0.00 C ATOM 174 CG LYS B 18 8.904 7.061 6.516 1.00 0.00 C ATOM 175 CD LYS B 18 7.539 6.398 6.595 1.00 0.00 C ATOM 176 CE LYS B 18 6.675 7.037 7.667 1.00 0.00 C ATOM 177 NZ LYS B 18 5.228 6.972 7.337 1.00 0.00 N ATOM 178 HZ1 LYS B 18 5.055 7.473 6.442 1.00 0.00 H ATOM 179 HZ2 LYS B 18 4.940 5.977 7.241 1.00 0.00 H ATOM 180 HZ3 LYS B 18 4.680 7.421 8.098 1.00 0.00 H ATOM 181 H LYS B 18 5.827 9.160 5.178 1.00 0.00 H ATOM 182 N LYS B 19 7.730 11.701 5.682 1.00 0.00 N ATOM 183 CA LYS B 19 8.175 13.097 5.621 1.00 0.00 C ATOM 184 C LYS B 19 8.739 13.453 4.243 1.00 0.00 C ATOM 185 O LYS B 19 9.546 14.372 4.114 1.00 0.00 O ATOM 186 CB LYS B 19 9.222 13.379 6.711 1.00 0.00 C ATOM 187 CG LYS B 19 8.844 14.501 7.673 1.00 0.00 C ATOM 188 CD LYS B 19 7.824 14.041 8.706 1.00 0.00 C ATOM 189 CE LYS B 19 8.025 14.716 10.053 1.00 0.00 C ATOM 190 NZ LYS B 19 9.275 14.268 10.724 1.00 0.00 N ATOM 191 HZ1 LYS B 19 9.235 13.240 10.879 1.00 0.00 H ATOM 192 HZ2 LYS B 19 10.091 14.497 10.122 1.00 0.00 H ATOM 193 HZ3 LYS B 19 9.370 14.755 11.638 1.00 0.00 H ATOM 194 H LYS B 19 6.715 11.510 5.801 1.00 0.00 H ATOM 195 N GLN B 20 8.291 12.744 3.212 1.00 0.00 N ATOM 196 CA GLN B 20 8.766 12.998 1.856 1.00 0.00 C ATOM 197 C GLN B 20 7.612 12.943 0.859 1.00 0.00 C ATOM 198 O GLN B 20 6.941 11.925 0.740 1.00 0.00 O ATOM 199 CB GLN B 20 9.844 11.983 1.479 1.00 0.00 C ATOM 200 CG GLN B 20 10.338 12.124 0.052 1.00 0.00 C ATOM 201 CD GLN B 20 11.602 11.330 -0.210 1.00 0.00 C ATOM 202 OE1 GLN B 20 12.414 11.697 -1.063 1.00 0.00 O ATOM 203 NE2 GLN B 20 11.779 10.238 0.517 1.00 0.00 N ATOM 204 HE22 GLN B 20 11.069 9.965 1.226 1.00 0.00 H ATOM 205 HE21 GLN B 20 12.628 9.654 0.379 1.00 0.00 H ATOM 206 H GLN B 20 7.589 11.994 3.375 1.00 0.00 H ATOM 207 N ASP B 21 7.403 14.037 0.140 1.00 0.00 N ATOM 208 CA ASP B 21 6.316 14.137 -0.838 1.00 0.00 C ATOM 209 C ASP B 21 6.643 13.390 -2.133 1.00 0.00 C ATOM 210 O ASP B 21 7.814 13.192 -2.473 1.00 0.00 O ATOM 211 CB ASP B 21 6.015 15.605 -1.143 1.00 0.00 C ATOM 212 CG ASP B 21 4.552 15.843 -1.464 1.00 0.00 C ATOM 213 OD1 ASP B 21 4.115 15.460 -2.567 1.00 0.00 O ATOM 214 OD2 ASP B 21 3.839 16.423 -0.619 1.00 0.00 O ATOM 215 H ASP B 21 8.033 14.853 0.275 1.00 0.00 H ATOM 216 N GLY B 22 5.598 12.961 -2.836 1.00 0.00 N ATOM 217 CA GLY B 22 5.765 12.239 -4.083 1.00 0.00 C ATOM 218 C GLY B 22 4.433 11.888 -4.727 1.00 0.00 C ATOM 219 O GLY B 22 3.424 12.537 -4.467 1.00 0.00 O ATOM 220 H GLY B 22 4.638 13.148 -2.483 1.00 0.00 H ATOM 221 N ALA B 23 4.430 10.854 -5.558 1.00 0.00 N ATOM 222 CA ALA B 23 3.224 10.404 -6.247 1.00 0.00 C ATOM 223 C ALA B 23 3.038 8.906 -6.034 1.00 0.00 C ATOM 224 O ALA B 23 3.983 8.128 -6.172 1.00 0.00 O ATOM 225 CB ALA B 23 3.312 10.726 -7.730 1.00 0.00 C ATOM 226 H ALA B 23 5.321 10.344 -5.725 1.00 0.00 H ATOM 227 N LEU B 24 1.825 8.510 -5.697 1.00 0.00 N ATOM 228 CA LEU B 24 1.510 7.109 -5.435 1.00 0.00 C ATOM 229 C LEU B 24 0.896 6.456 -6.676 1.00 0.00 C ATOM 230 O LEU B 24 0.137 7.086 -7.401 1.00 0.00 O ATOM 231 CB LEU B 24 0.550 7.030 -4.247 1.00 0.00 C ATOM 232 CG LEU B 24 0.099 5.623 -3.861 1.00 0.00 C ATOM 233 CD1 LEU B 24 1.016 4.997 -2.836 1.00 0.00 C ATOM 234 CD2 LEU B 24 -1.327 5.653 -3.340 1.00 0.00 C ATOM 235 H LEU B 24 1.069 9.219 -5.615 1.00 0.00 H ATOM 236 N TYR B 25 1.240 5.201 -6.929 1.00 0.00 N ATOM 237 CA TYR B 25 0.722 4.472 -8.086 1.00 0.00 C ATOM 238 C TYR B 25 0.351 3.046 -7.690 1.00 0.00 C ATOM 239 O TYR B 25 1.227 2.228 -7.411 1.00 0.00 O ATOM 240 CB TYR B 25 1.764 4.410 -9.213 1.00 0.00 C ATOM 241 CG TYR B 25 2.337 5.743 -9.642 1.00 0.00 C ATOM 242 CD1 TYR B 25 1.783 6.451 -10.699 1.00 0.00 C ATOM 243 CD2 TYR B 25 3.444 6.282 -9.000 1.00 0.00 C ATOM 244 CE1 TYR B 25 2.317 7.660 -11.104 1.00 0.00 C ATOM 245 CE2 TYR B 25 3.981 7.490 -9.398 1.00 0.00 C ATOM 246 CZ TYR B 25 3.414 8.175 -10.450 1.00 0.00 C ATOM 247 OH TYR B 25 3.948 9.377 -10.851 1.00 0.00 O ATOM 248 HH TYR B 25 3.425 9.732 -11.613 1.00 0.00 H ATOM 249 H TYR B 25 1.899 4.720 -6.284 1.00 0.00 H ATOM 250 N LEU B 26 -0.935 2.733 -7.674 1.00 0.00 N ATOM 251 CA LEU B 26 -1.366 1.390 -7.305 1.00 0.00 C ATOM 252 C LEU B 26 -1.392 0.492 -8.532 1.00 0.00 C ATOM 253 O LEU B 26 -1.985 0.840 -9.553 1.00 0.00 O ATOM 254 CB LEU B 26 -2.738 1.403 -6.636 1.00 0.00 C ATOM 255 CG LEU B 26 -2.883 2.378 -5.470 1.00 0.00 C ATOM 256 CD1 LEU B 26 -4.058 2.004 -4.596 1.00 0.00 C ATOM 257 CD2 LEU B 26 -1.632 2.435 -4.629 1.00 0.00 C ATOM 258 H LEU B 26 -1.644 3.451 -7.927 1.00 0.00 H ATOM 259 N MET B 27 -0.746 -0.657 -8.428 1.00 0.00 N ATOM 260 CA MET B 27 -0.675 -1.605 -9.527 1.00 0.00 C ATOM 261 C MET B 27 -1.535 -2.824 -9.240 1.00 0.00 C ATOM 262 O MET B 27 -1.939 -3.051 -8.105 1.00 0.00 O ATOM 263 CB MET B 27 0.771 -2.015 -9.770 1.00 0.00 C ATOM 264 CG MET B 27 1.631 -0.862 -10.247 1.00 0.00 C ATOM 265 SD MET B 27 3.330 -0.954 -9.668 1.00 0.00 S ATOM 266 CE MET B 27 3.958 0.562 -10.370 1.00 0.00 C ATOM 267 H MET B 27 -0.274 -0.890 -7.531 1.00 0.00 H ATOM 268 N ALA B 28 -1.767 -3.619 -10.275 1.00 0.00 N ATOM 269 CA ALA B 28 -2.615 -4.811 -10.191 1.00 0.00 C ATOM 270 C ALA B 28 -2.347 -5.693 -8.965 1.00 0.00 C ATOM 271 O ALA B 28 -3.282 -6.086 -8.277 1.00 0.00 O ATOM 272 CB ALA B 28 -2.478 -5.631 -11.463 1.00 0.00 C ATOM 273 H ALA B 28 -1.327 -3.386 -11.188 1.00 0.00 H ATOM 274 N GLU B 29 -1.086 -6.008 -8.682 1.00 0.00 N ATOM 275 CA GLU B 29 -0.777 -6.876 -7.541 1.00 0.00 C ATOM 276 C GLU B 29 0.059 -6.176 -6.469 1.00 0.00 C ATOM 277 O GLU B 29 0.423 -6.799 -5.467 1.00 0.00 O ATOM 278 CB GLU B 29 -0.016 -8.126 -8.001 1.00 0.00 C ATOM 279 CG GLU B 29 -0.480 -8.710 -9.328 1.00 0.00 C ATOM 280 CD GLU B 29 0.624 -9.486 -10.024 1.00 0.00 C ATOM 281 OE1 GLU B 29 1.277 -10.320 -9.362 1.00 0.00 O ATOM 282 OE2 GLU B 29 0.869 -9.238 -11.222 1.00 0.00 O ATOM 283 H GLU B 29 -0.315 -5.637 -9.273 1.00 0.00 H ATOM 284 N ARG B 30 0.344 -4.891 -6.631 1.00 0.00 N ATOM 285 CA ARG B 30 1.182 -4.208 -5.649 1.00 0.00 C ATOM 286 C ARG B 30 0.951 -2.706 -5.631 1.00 0.00 C ATOM 287 O ARG B 30 0.553 -2.115 -6.627 1.00 0.00 O ATOM 288 CB ARG B 30 2.666 -4.489 -5.934 1.00 0.00 C ATOM 289 CG ARG B 30 3.220 -3.715 -7.123 1.00 0.00 C ATOM 290 CD ARG B 30 4.663 -4.094 -7.428 1.00 0.00 C ATOM 291 NE ARG B 30 5.135 -3.458 -8.658 1.00 0.00 N ATOM 292 CZ ARG B 30 5.705 -4.111 -9.674 1.00 0.00 C ATOM 293 NH1 ARG B 30 5.949 -5.412 -9.591 1.00 0.00 N ATOM 294 NH2 ARG B 30 6.040 -3.463 -10.778 1.00 0.00 N ATOM 295 HE ARG B 30 5.019 -2.428 -8.747 1.00 0.00 H ATOM 296 HH12 ARG B 30 6.393 -5.910 -10.389 1.00 0.00 H ATOM 297 HH11 ARG B 30 5.696 -5.935 -8.728 1.00 0.00 H ATOM 298 HH22 ARG B 30 6.484 -3.975 -11.567 1.00 0.00 H ATOM 299 HH21 ARG B 30 5.860 -2.442 -10.857 1.00 0.00 H ATOM 300 H ARG B 30 -0.027 -4.373 -7.453 1.00 0.00 H ATOM 301 N ILE B 31 1.210 -2.108 -4.485 1.00 0.00 N ATOM 302 CA ILE B 31 1.080 -0.673 -4.314 1.00 0.00 C ATOM 303 C ILE B 31 2.471 -0.054 -4.369 1.00 0.00 C ATOM 304 O ILE B 31 3.357 -0.427 -3.594 1.00 0.00 O ATOM 305 CB ILE B 31 0.386 -0.308 -2.975 1.00 0.00 C ATOM 306 CG1 ILE B 31 0.755 1.118 -2.546 1.00 0.00 C ATOM 307 CG2 ILE B 31 0.743 -1.310 -1.885 1.00 0.00 C ATOM 308 CD1 ILE B 31 -0.082 1.648 -1.405 1.00 0.00 C ATOM 309 H ILE B 31 1.518 -2.684 -3.676 1.00 0.00 H ATOM 310 N ALA B 32 2.675 0.855 -5.304 1.00 0.00 N ATOM 311 CA ALA B 32 3.962 1.505 -5.454 1.00 0.00 C ATOM 312 C ALA B 32 3.827 3.009 -5.300 1.00 0.00 C ATOM 313 O ALA B 32 2.762 3.571 -5.522 1.00 0.00 O ATOM 314 CB ALA B 32 4.576 1.155 -6.801 1.00 0.00 C ATOM 315 H ALA B 32 1.897 1.110 -5.946 1.00 0.00 H ATOM 316 N TRP B 33 4.899 3.651 -4.885 1.00 0.00 N ATOM 317 CA TRP B 33 4.899 5.090 -4.709 1.00 0.00 C ATOM 318 C TRP B 33 6.283 5.646 -5.026 1.00 0.00 C ATOM 319 O TRP B 33 7.299 5.090 -4.598 1.00 0.00 O ATOM 320 CB TRP B 33 4.440 5.437 -3.286 1.00 0.00 C ATOM 321 CG TRP B 33 4.650 6.865 -2.878 1.00 0.00 C ATOM 322 CD1 TRP B 33 3.749 7.876 -2.997 1.00 0.00 C ATOM 323 CD2 TRP B 33 5.817 7.437 -2.269 1.00 0.00 C ATOM 324 NE1 TRP B 33 4.277 9.042 -2.516 1.00 0.00 N ATOM 325 CE2 TRP B 33 5.546 8.801 -2.061 1.00 0.00 C ATOM 326 CE3 TRP B 33 7.061 6.934 -1.885 1.00 0.00 C ATOM 327 CZ2 TRP B 33 6.472 9.665 -1.484 1.00 0.00 C ATOM 328 CZ3 TRP B 33 7.980 7.791 -1.312 1.00 0.00 C ATOM 329 CH2 TRP B 33 7.680 9.144 -1.116 1.00 0.00 C ATOM 330 HE1 TRP B 33 3.793 9.963 -2.499 1.00 0.00 H ATOM 331 H TRP B 33 5.765 3.114 -4.679 1.00 0.00 H ATOM 332 N ALA B 34 6.317 6.724 -5.795 1.00 0.00 N ATOM 333 CA ALA B 34 7.570 7.349 -6.185 1.00 0.00 C ATOM 334 C ALA B 34 7.716 8.715 -5.532 1.00 0.00 C ATOM 335 O ALA B 34 6.822 9.554 -5.628 1.00 0.00 O ATOM 336 CB ALA B 34 7.649 7.477 -7.699 1.00 0.00 C ATOM 337 H ALA B 34 5.422 7.135 -6.129 1.00 0.00 H ATOM 338 N PRO B 35 8.843 8.950 -4.855 1.00 0.00 N ATOM 339 CA PRO B 35 9.105 10.220 -4.188 1.00 0.00 C ATOM 340 C PRO B 35 9.468 11.316 -5.181 1.00 0.00 C ATOM 341 O PRO B 35 10.167 11.069 -6.167 1.00 0.00 O ATOM 342 CB PRO B 35 10.285 9.903 -3.273 1.00 0.00 C ATOM 343 CG PRO B 35 10.993 8.772 -3.936 1.00 0.00 C ATOM 344 CD PRO B 35 9.950 7.994 -4.691 1.00 0.00 C ATOM 345 N GLU B 36 9.003 12.527 -4.909 1.00 0.00 N ATOM 346 CA GLU B 36 9.263 13.663 -5.782 1.00 0.00 C ATOM 347 C GLU B 36 10.762 13.896 -5.932 1.00 0.00 C ATOM 348 O GLU B 36 11.515 13.862 -4.952 1.00 0.00 O ATOM 349 CB GLU B 36 8.579 14.914 -5.237 1.00 0.00 C ATOM 350 CG GLU B 36 8.218 15.928 -6.309 1.00 0.00 C ATOM 351 CD GLU B 36 6.939 16.668 -5.989 1.00 0.00 C ATOM 352 OE1 GLU B 36 5.871 16.276 -6.508 1.00 0.00 O ATOM 353 OE2 GLU B 36 6.985 17.632 -5.197 1.00 0.00 O ATOM 354 H GLU B 36 8.437 12.670 -4.048 1.00 0.00 H ATOM 355 N GLY B 37 11.192 14.094 -7.167 1.00 0.00 N ATOM 356 CA GLY B 37 12.594 14.325 -7.440 1.00 0.00 C ATOM 357 C GLY B 37 13.335 13.047 -7.775 1.00 0.00 C ATOM 358 O GLY B 37 14.514 13.081 -8.115 1.00 0.00 O ATOM 359 H GLY B 37 10.512 14.083 -7.954 1.00 0.00 H ATOM 360 N LYS B 38 12.652 11.914 -7.657 1.00 0.00 N ATOM 361 CA LYS B 38 13.261 10.626 -7.961 1.00 0.00 C ATOM 362 C LYS B 38 12.606 10.002 -9.184 1.00 0.00 C ATOM 363 O LYS B 38 11.448 10.278 -9.488 1.00 0.00 O ATOM 364 CB LYS B 38 13.171 9.676 -6.762 1.00 0.00 C ATOM 365 CG LYS B 38 14.395 9.721 -5.854 1.00 0.00 C ATOM 366 CD LYS B 38 14.514 11.055 -5.129 1.00 0.00 C ATOM 367 CE LYS B 38 13.501 11.168 -4.006 1.00 0.00 C ATOM 368 NZ LYS B 38 13.404 12.551 -3.466 1.00 0.00 N ATOM 369 HZ1 LYS B 38 14.330 12.842 -3.094 1.00 0.00 H ATOM 370 HZ2 LYS B 38 13.115 13.199 -4.226 1.00 0.00 H ATOM 371 HZ3 LYS B 38 12.699 12.575 -2.702 1.00 0.00 H ATOM 372 H LYS B 38 11.662 11.947 -7.341 1.00 0.00 H ATOM 373 N ASP B 39 13.361 9.164 -9.876 1.00 0.00 N ATOM 374 CA ASP B 39 12.886 8.496 -11.080 1.00 0.00 C ATOM 375 C ASP B 39 12.408 7.080 -10.776 1.00 0.00 C ATOM 376 O ASP B 39 11.765 6.438 -11.605 1.00 0.00 O ATOM 377 CB ASP B 39 14.017 8.434 -12.114 1.00 0.00 C ATOM 378 CG ASP B 39 15.178 7.563 -11.654 1.00 0.00 C ATOM 379 OD1 ASP B 39 15.796 6.884 -12.499 1.00 0.00 O ATOM 380 OD2 ASP B 39 15.477 7.546 -10.436 1.00 0.00 O ATOM 381 H ASP B 39 14.330 8.975 -9.548 1.00 0.00 H ATOM 382 N ARG B 40 12.714 6.600 -9.582 1.00 0.00 N ATOM 383 CA ARG B 40 12.343 5.251 -9.191 1.00 0.00 C ATOM 384 C ARG B 40 11.412 5.242 -7.987 1.00 0.00 C ATOM 385 O ARG B 40 11.431 6.158 -7.160 1.00 0.00 O ATOM 386 CB ARG B 40 13.601 4.432 -8.890 1.00 0.00 C ATOM 387 CG ARG B 40 14.538 5.095 -7.892 1.00 0.00 C ATOM 388 CD ARG B 40 15.990 4.786 -8.212 1.00 0.00 C ATOM 389 NE ARG B 40 16.351 5.218 -9.562 1.00 0.00 N ATOM 390 CZ ARG B 40 17.202 4.578 -10.358 1.00 0.00 C ATOM 391 NH1 ARG B 40 17.852 3.503 -9.919 1.00 0.00 N ATOM 392 NH2 ARG B 40 17.403 5.017 -11.593 1.00 0.00 N ATOM 393 HE ARG B 40 15.911 6.088 -9.925 1.00 0.00 H ATOM 394 HH12 ARG B 40 18.517 3.006 -10.545 1.00 0.00 H ATOM 395 HH11 ARG B 40 17.695 3.160 -8.950 1.00 0.00 H ATOM 396 HH22 ARG B 40 18.068 4.520 -12.220 1.00 0.00 H ATOM 397 HH21 ARG B 40 16.896 5.858 -11.935 1.00 0.00 H ATOM 398 H ARG B 40 13.231 7.201 -8.909 1.00 0.00 H ATOM 399 N PHE B 41 10.601 4.196 -7.899 1.00 0.00 N ATOM 400 CA PHE B 41 9.658 4.033 -6.803 1.00 0.00 C ATOM 401 C PHE B 41 10.377 3.465 -5.587 1.00 0.00 C ATOM 402 O PHE B 41 10.992 2.404 -5.668 1.00 0.00 O ATOM 403 CB PHE B 41 8.519 3.085 -7.203 1.00 0.00 C ATOM 404 CG PHE B 41 7.904 3.378 -8.545 1.00 0.00 C ATOM 405 CD1 PHE B 41 6.821 4.233 -8.654 1.00 0.00 C ATOM 406 CD2 PHE B 41 8.406 2.789 -9.696 1.00 0.00 C ATOM 407 CE1 PHE B 41 6.249 4.497 -9.885 1.00 0.00 C ATOM 408 CE2 PHE B 41 7.839 3.050 -10.929 1.00 0.00 C ATOM 409 CZ PHE B 41 6.759 3.906 -11.023 1.00 0.00 C ATOM 410 H PHE B 41 10.641 3.467 -8.639 1.00 0.00 H ATOM 411 N THR B 42 10.312 4.172 -4.472 1.00 0.00 N ATOM 412 CA THR B 42 10.955 3.711 -3.251 1.00 0.00 C ATOM 413 C THR B 42 9.982 2.885 -2.420 1.00 0.00 C ATOM 414 O THR B 42 10.356 2.272 -1.421 1.00 0.00 O ATOM 415 CB THR B 42 11.475 4.892 -2.415 1.00 0.00 C ATOM 416 OG1 THR B 42 10.489 5.931 -2.375 1.00 0.00 O ATOM 417 CG2 THR B 42 12.772 5.438 -2.997 1.00 0.00 C ATOM 418 HG1 THR B 42 10.830 6.688 -1.835 1.00 0.00 H ATOM 419 H THR B 42 9.792 5.073 -4.467 1.00 0.00 H ATOM 420 N ILE B 43 8.726 2.887 -2.841 1.00 0.00 N ATOM 421 CA ILE B 43 7.686 2.144 -2.157 1.00 0.00 C ATOM 422 C ILE B 43 7.117 1.072 -3.074 1.00 0.00 C ATOM 423 O ILE B 43 6.614 1.375 -4.156 1.00 0.00 O ATOM 424 CB ILE B 43 6.550 3.078 -1.678 1.00 0.00 C ATOM 425 CG1 ILE B 43 7.007 3.894 -0.465 1.00 0.00 C ATOM 426 CG2 ILE B 43 5.287 2.292 -1.349 1.00 0.00 C ATOM 427 CD1 ILE B 43 7.437 3.048 0.714 1.00 0.00 C ATOM 428 H ILE B 43 8.479 3.438 -3.688 1.00 0.00 H ATOM 429 N SER B 44 7.240 -0.173 -2.653 1.00 0.00 N ATOM 430 CA SER B 44 6.724 -1.298 -3.409 1.00 0.00 C ATOM 431 C SER B 44 6.288 -2.391 -2.445 1.00 0.00 C ATOM 432 O SER B 44 7.118 -3.121 -1.906 1.00 0.00 O ATOM 433 CB SER B 44 7.788 -1.825 -4.381 1.00 0.00 C ATOM 434 OG SER B 44 7.272 -2.863 -5.200 1.00 0.00 O ATOM 435 HG SER B 44 7.981 -3.181 -5.814 1.00 0.00 H ATOM 436 H SER B 44 7.723 -0.353 -1.750 1.00 0.00 H ATOM 437 N HIS B 45 4.989 -2.487 -2.215 1.00 0.00 N ATOM 438 CA HIS B 45 4.452 -3.490 -1.306 1.00 0.00 C ATOM 439 C HIS B 45 3.405 -4.326 -2.016 1.00 0.00 C ATOM 440 O HIS B 45 2.583 -3.796 -2.765 1.00 0.00 O ATOM 441 CB HIS B 45 3.823 -2.836 -0.068 1.00 0.00 C ATOM 442 CG HIS B 45 4.716 -1.857 0.630 1.00 0.00 C ATOM 443 ND1 HIS B 45 5.669 -2.209 1.561 1.00 0.00 N ATOM 444 CD2 HIS B 45 4.794 -0.509 0.505 1.00 0.00 C ATOM 445 CE1 HIS B 45 6.286 -1.089 1.961 1.00 0.00 C ATOM 446 NE2 HIS B 45 5.792 -0.029 1.348 1.00 0.00 N ATOM 447 H HIS B 45 4.338 -1.832 -2.693 1.00 0.00 H ATOM 448 N MET B 46 3.436 -5.625 -1.795 1.00 0.00 N ATOM 449 CA MET B 46 2.471 -6.511 -2.413 1.00 0.00 C ATOM 450 C MET B 46 1.229 -6.577 -1.543 1.00 0.00 C ATOM 451 O MET B 46 1.327 -6.596 -0.321 1.00 0.00 O ATOM 452 CB MET B 46 3.054 -7.916 -2.596 1.00 0.00 C ATOM 453 CG MET B 46 4.010 -8.045 -3.770 1.00 0.00 C ATOM 454 SD MET B 46 3.181 -8.544 -5.297 1.00 0.00 S ATOM 455 CE MET B 46 2.494 -10.126 -4.806 1.00 0.00 C ATOM 456 H MET B 46 4.165 -6.020 -1.167 1.00 0.00 H ATOM 457 N TYR B 47 0.065 -6.593 -2.175 1.00 0.00 N ATOM 458 CA TYR B 47 -1.210 -6.674 -1.449 1.00 0.00 C ATOM 459 C TYR B 47 -1.249 -7.924 -0.572 1.00 0.00 C ATOM 460 O TYR B 47 -1.965 -7.972 0.424 1.00 0.00 O ATOM 461 CB TYR B 47 -2.363 -6.695 -2.452 1.00 0.00 C ATOM 462 CG TYR B 47 -2.405 -5.464 -3.325 1.00 0.00 C ATOM 463 CD1 TYR B 47 -2.060 -4.221 -2.812 1.00 0.00 C ATOM 464 CD2 TYR B 47 -2.778 -5.542 -4.656 1.00 0.00 C ATOM 465 CE1 TYR B 47 -2.088 -3.091 -3.601 1.00 0.00 C ATOM 466 CE2 TYR B 47 -2.809 -4.414 -5.452 1.00 0.00 C ATOM 467 CZ TYR B 47 -2.464 -3.192 -4.917 1.00 0.00 C ATOM 468 OH TYR B 47 -2.487 -2.067 -5.705 1.00 0.00 O ATOM 469 HH TYR B 47 -1.860 -2.183 -6.463 1.00 0.00 H ATOM 470 H TYR B 47 0.053 -6.547 -3.214 1.00 0.00 H ATOM 471 N ALA B 48 -0.442 -8.914 -0.937 1.00 0.00 N ATOM 472 CA ALA B 48 -0.376 -10.168 -0.201 1.00 0.00 C ATOM 473 C ALA B 48 0.327 -10.004 1.146 1.00 0.00 C ATOM 474 O ALA B 48 0.146 -10.829 2.035 1.00 0.00 O ATOM 475 CB ALA B 48 0.330 -11.226 -1.037 1.00 0.00 C ATOM 476 H ALA B 48 0.161 -8.789 -1.775 1.00 0.00 H ATOM 477 N ASP B 49 1.124 -8.941 1.289 1.00 0.00 N ATOM 478 CA ASP B 49 1.851 -8.676 2.526 1.00 0.00 C ATOM 479 C ASP B 49 1.107 -7.653 3.366 1.00 0.00 C ATOM 480 O ASP B 49 1.465 -7.393 4.520 1.00 0.00 O ATOM 481 CB ASP B 49 3.237 -8.105 2.265 1.00 0.00 C ATOM 482 CG ASP B 49 3.870 -8.540 0.955 1.00 0.00 C ATOM 483 OD1 ASP B 49 3.954 -9.757 0.695 1.00 0.00 O ATOM 484 OD2 ASP B 49 4.292 -7.645 0.182 1.00 0.00 O ATOM 485 H ASP B 49 1.230 -8.281 0.492 1.00 0.00 H ATOM 486 N ILE B 50 0.081 -7.060 2.791 1.00 0.00 N ATOM 487 CA ILE B 50 -0.697 -6.070 3.506 1.00 0.00 C ATOM 488 C ILE B 50 -1.791 -6.796 4.282 1.00 0.00 C ATOM 489 O ILE B 50 -2.530 -7.589 3.708 1.00 0.00 O ATOM 490 CB ILE B 50 -1.346 -5.045 2.552 1.00 0.00 C ATOM 491 CG1 ILE B 50 -0.440 -4.753 1.346 1.00 0.00 C ATOM 492 CG2 ILE B 50 -1.678 -3.762 3.294 1.00 0.00 C ATOM 493 CD1 ILE B 50 0.688 -3.784 1.621 1.00 0.00 C ATOM 494 H ILE B 50 -0.173 -7.306 1.813 1.00 0.00 H ATOM 495 N LYS B 51 -1.894 -6.537 5.573 1.00 0.00 N ATOM 496 CA LYS B 51 -2.894 -7.203 6.391 1.00 0.00 C ATOM 497 C LYS B 51 -4.188 -6.411 6.364 1.00 0.00 C ATOM 498 O LYS B 51 -5.268 -6.953 6.152 1.00 0.00 O ATOM 499 CB LYS B 51 -2.403 -7.342 7.830 1.00 0.00 C ATOM 500 CG LYS B 51 -3.453 -7.888 8.780 1.00 0.00 C ATOM 501 CD LYS B 51 -3.398 -7.175 10.114 1.00 0.00 C ATOM 502 CE LYS B 51 -4.656 -7.416 10.936 1.00 0.00 C ATOM 503 NZ LYS B 51 -4.627 -8.740 11.617 1.00 0.00 N ATOM 504 HZ1 LYS B 51 -4.553 -9.494 10.904 1.00 0.00 H ATOM 505 HZ2 LYS B 51 -3.807 -8.783 12.255 1.00 0.00 H ATOM 506 HZ3 LYS B 51 -5.501 -8.865 12.166 1.00 0.00 H ATOM 507 H LYS B 51 -1.251 -5.847 6.010 1.00 0.00 H ATOM 508 N CYS B 52 -4.055 -5.118 6.550 1.00 0.00 N ATOM 509 CA CYS B 52 -5.184 -4.228 6.569 1.00 0.00 C ATOM 510 C CYS B 52 -4.728 -2.838 6.172 1.00 0.00 C ATOM 511 O CYS B 52 -3.555 -2.631 5.856 1.00 0.00 O ATOM 512 CB CYS B 52 -5.835 -4.221 7.956 1.00 0.00 C ATOM 513 SG CYS B 52 -4.695 -3.960 9.332 1.00 0.00 S ATOM 514 H CYS B 52 -3.102 -4.725 6.688 1.00 0.00 H ATOM 515 N GLN B 53 -5.636 -1.888 6.180 1.00 0.00 N ATOM 516 CA GLN B 53 -5.293 -0.537 5.802 1.00 0.00 C ATOM 517 C GLN B 53 -6.069 0.473 6.644 1.00 0.00 C ATOM 518 O GLN B 53 -7.229 0.236 6.994 1.00 0.00 O ATOM 519 CB GLN B 53 -5.609 -0.313 4.329 1.00 0.00 C ATOM 520 CG GLN B 53 -7.098 -0.264 4.031 1.00 0.00 C ATOM 521 CD GLN B 53 -7.399 -0.317 2.555 1.00 0.00 C ATOM 522 OE1 GLN B 53 -7.375 0.701 1.870 1.00 0.00 O ATOM 523 NE2 GLN B 53 -7.706 -1.503 2.060 1.00 0.00 N ATOM 524 HE22 GLN B 53 -7.713 -2.339 2.679 1.00 0.00 H ATOM 525 HE21 GLN B 53 -7.940 -1.601 1.051 1.00 0.00 H ATOM 526 H GLN B 53 -6.612 -2.111 6.462 1.00 0.00 H ATOM 527 N LYS B 54 -5.437 1.582 6.991 1.00 0.00 N ATOM 528 CA LYS B 54 -6.122 2.623 7.739 1.00 0.00 C ATOM 529 C LYS B 54 -6.267 3.858 6.878 1.00 0.00 C ATOM 530 O LYS B 54 -5.469 4.091 5.975 1.00 0.00 O ATOM 531 CB LYS B 54 -5.369 3.060 8.992 1.00 0.00 C ATOM 532 CG LYS B 54 -5.280 2.060 10.112 1.00 0.00 C ATOM 533 CD LYS B 54 -4.809 2.771 11.368 1.00 0.00 C ATOM 534 CE LYS B 54 -4.456 1.814 12.495 1.00 0.00 C ATOM 535 NZ LYS B 54 -3.848 0.550 11.988 1.00 0.00 N ATOM 536 HZ1 LYS B 54 -4.521 0.072 11.356 1.00 0.00 H ATOM 537 HZ2 LYS B 54 -2.977 0.771 11.465 1.00 0.00 H ATOM 538 HZ3 LYS B 54 -3.624 -0.072 12.791 1.00 0.00 H ATOM 539 H LYS B 54 -4.440 1.710 6.726 1.00 0.00 H ATOM 540 N ILE B 55 -7.284 4.641 7.160 1.00 0.00 N ATOM 541 CA ILE B 55 -7.491 5.892 6.469 1.00 0.00 C ATOM 542 C ILE B 55 -7.707 6.956 7.537 1.00 0.00 C ATOM 543 O ILE B 55 -8.504 6.766 8.458 1.00 0.00 O ATOM 544 CB ILE B 55 -8.674 5.854 5.450 1.00 0.00 C ATOM 545 CG1 ILE B 55 -10.008 6.274 6.070 1.00 0.00 C ATOM 546 CG2 ILE B 55 -8.815 4.463 4.846 1.00 0.00 C ATOM 547 CD1 ILE B 55 -10.953 6.896 5.062 1.00 0.00 C ATOM 548 H ILE B 55 -7.956 4.353 7.899 1.00 0.00 H ATOM 549 N SER B 56 -6.948 8.033 7.481 1.00 0.00 N ATOM 550 CA SER B 56 -7.095 9.072 8.470 1.00 0.00 C ATOM 551 C SER B 56 -8.169 10.035 8.004 1.00 0.00 C ATOM 552 O SER B 56 -8.059 10.638 6.916 1.00 0.00 O ATOM 553 CB SER B 56 -5.771 9.787 8.748 1.00 0.00 C ATOM 554 OG SER B 56 -5.592 10.914 7.917 1.00 0.00 O ATOM 555 HG SER B 56 -6.329 11.557 8.072 1.00 0.00 H ATOM 556 H SER B 56 -6.243 8.133 6.723 1.00 0.00 H ATOM 557 N PRO B 57 -9.217 10.148 8.831 1.00 0.00 N ATOM 558 CA PRO B 57 -10.399 10.979 8.578 1.00 0.00 C ATOM 559 C PRO B 57 -10.133 12.471 8.666 1.00 0.00 C ATOM 560 O PRO B 57 -9.038 12.913 9.025 1.00 0.00 O ATOM 561 CB PRO B 57 -11.356 10.562 9.698 1.00 0.00 C ATOM 562 CG PRO B 57 -10.455 10.154 10.807 1.00 0.00 C ATOM 563 CD PRO B 57 -9.306 9.469 10.137 1.00 0.00 C ATOM 564 N GLU B 58 -11.151 13.232 8.297 1.00 0.00 N ATOM 565 CA GLU B 58 -11.101 14.678 8.341 1.00 0.00 C ATOM 566 C GLU B 58 -10.892 15.147 9.779 1.00 0.00 C ATOM 567 O GLU B 58 -11.167 14.414 10.731 1.00 0.00 O ATOM 568 CB GLU B 58 -12.392 15.272 7.761 1.00 0.00 C ATOM 569 CG GLU B 58 -12.555 15.065 6.256 1.00 0.00 C ATOM 570 CD GLU B 58 -12.561 13.601 5.849 1.00 0.00 C ATOM 571 OE1 GLU B 58 -13.185 12.785 6.557 1.00 0.00 O ATOM 572 OE2 GLU B 58 -11.918 13.258 4.835 1.00 0.00 O ATOM 573 H GLU B 58 -12.022 12.773 7.962 1.00 0.00 H ATOM 574 N GLY B 59 -10.432 16.372 9.929 1.00 0.00 N ATOM 575 CA GLY B 59 -10.152 16.911 11.243 1.00 0.00 C ATOM 576 C GLY B 59 -8.672 17.144 11.393 1.00 0.00 C ATOM 577 O GLY B 59 -8.235 18.035 12.121 1.00 0.00 O ATOM 578 H GLY B 59 -10.267 16.962 9.089 1.00 0.00 H ATOM 579 N LYS B 60 -7.901 16.334 10.682 1.00 0.00 N ATOM 580 CA LYS B 60 -6.459 16.470 10.660 1.00 0.00 C ATOM 581 C LYS B 60 -6.100 17.495 9.611 1.00 0.00 C ATOM 582 O LYS B 60 -6.915 17.814 8.741 1.00 0.00 O ATOM 583 CB LYS B 60 -5.777 15.135 10.332 1.00 0.00 C ATOM 584 CG LYS B 60 -5.447 14.292 11.552 1.00 0.00 C ATOM 585 CD LYS B 60 -4.490 13.152 11.212 1.00 0.00 C ATOM 586 CE LYS B 60 -3.874 12.534 12.464 1.00 0.00 C ATOM 587 NZ LYS B 60 -4.379 13.167 13.712 1.00 0.00 N ATOM 588 HZ1 LYS B 60 -4.146 14.181 13.704 1.00 0.00 H ATOM 589 HZ2 LYS B 60 -5.411 13.048 13.767 1.00 0.00 H ATOM 590 HZ3 LYS B 60 -3.932 12.714 14.534 1.00 0.00 H ATOM 591 H LYS B 60 -8.345 15.578 10.123 1.00 0.00 H ATOM 592 N ALA B 61 -4.890 18.005 9.677 1.00 0.00 N ATOM 593 CA ALA B 61 -4.445 18.992 8.714 1.00 0.00 C ATOM 594 C ALA B 61 -4.138 18.338 7.393 1.00 0.00 C ATOM 595 O ALA B 61 -3.835 19.004 6.406 1.00 0.00 O ATOM 596 CB ALA B 61 -3.221 19.702 9.227 1.00 0.00 C ATOM 597 H ALA B 61 -4.243 17.696 10.431 1.00 0.00 H ATOM 598 N LYS B 62 -4.205 17.027 7.382 1.00 0.00 N ATOM 599 CA LYS B 62 -3.936 16.287 6.188 1.00 0.00 C ATOM 600 C LYS B 62 -4.796 15.033 6.137 1.00 0.00 C ATOM 601 O LYS B 62 -5.277 14.555 7.164 1.00 0.00 O ATOM 602 CB LYS B 62 -2.457 15.906 6.110 1.00 0.00 C ATOM 603 CG LYS B 62 -2.137 14.534 6.683 1.00 0.00 C ATOM 604 CD LYS B 62 -2.149 14.529 8.201 1.00 0.00 C ATOM 605 CE LYS B 62 -0.851 15.069 8.762 1.00 0.00 C ATOM 606 NZ LYS B 62 -0.886 16.548 8.910 1.00 0.00 N ATOM 607 HZ1 LYS B 62 -1.047 16.985 7.980 1.00 0.00 H ATOM 608 HZ2 LYS B 62 -1.657 16.812 9.556 1.00 0.00 H ATOM 609 HZ3 LYS B 62 0.021 16.878 9.297 1.00 0.00 H ATOM 610 H LYS B 62 -4.457 16.519 8.254 1.00 0.00 H ATOM 611 N ILE B 63 -4.991 14.521 4.945 1.00 0.00 N ATOM 612 CA ILE B 63 -5.744 13.302 4.749 1.00 0.00 C ATOM 613 C ILE B 63 -4.731 12.168 4.656 1.00 0.00 C ATOM 614 O ILE B 63 -3.722 12.317 3.976 1.00 0.00 O ATOM 615 CB ILE B 63 -6.605 13.396 3.472 1.00 0.00 C ATOM 616 CG1 ILE B 63 -7.803 14.320 3.712 1.00 0.00 C ATOM 617 CG2 ILE B 63 -7.078 12.027 3.033 1.00 0.00 C ATOM 618 CD1 ILE B 63 -7.521 15.790 3.463 1.00 0.00 C ATOM 619 H ILE B 63 -4.592 15.006 4.116 1.00 0.00 H ATOM 620 N GLN B 64 -4.950 11.050 5.337 1.00 0.00 N ATOM 621 CA GLN B 64 -3.935 9.990 5.305 1.00 0.00 C ATOM 622 C GLN B 64 -4.488 8.601 5.106 1.00 0.00 C ATOM 623 O GLN B 64 -5.681 8.349 5.235 1.00 0.00 O ATOM 624 CB GLN B 64 -3.109 9.971 6.587 1.00 0.00 C ATOM 625 CG GLN B 64 -2.287 11.215 6.826 1.00 0.00 C ATOM 626 CD GLN B 64 -1.560 11.169 8.152 1.00 0.00 C ATOM 627 OE1 GLN B 64 -0.518 11.800 8.319 1.00 0.00 O ATOM 628 NE2 GLN B 64 -2.110 10.427 9.106 1.00 0.00 N ATOM 629 HE22 GLN B 64 -2.993 9.910 8.919 1.00 0.00 H ATOM 630 HE21 GLN B 64 -1.658 10.363 10.040 1.00 0.00 H ATOM 631 H GLN B 64 -5.826 10.927 5.884 1.00 0.00 H ATOM 632 N LEU B 65 -3.582 7.723 4.734 1.00 0.00 N ATOM 633 CA LEU B 65 -3.861 6.321 4.550 1.00 0.00 C ATOM 634 C LEU B 65 -2.654 5.546 5.062 1.00 0.00 C ATOM 635 O LEU B 65 -1.562 6.090 5.087 1.00 0.00 O ATOM 636 CB LEU B 65 -4.056 6.003 3.076 1.00 0.00 C ATOM 637 CG LEU B 65 -4.942 4.802 2.779 1.00 0.00 C ATOM 638 CD1 LEU B 65 -6.381 5.243 2.610 1.00 0.00 C ATOM 639 CD2 LEU B 65 -4.445 4.064 1.555 1.00 0.00 C ATOM 640 H LEU B 65 -2.612 8.058 4.564 1.00 0.00 H ATOM 641 N GLN B 66 -2.824 4.314 5.505 1.00 0.00 N ATOM 642 CA GLN B 66 -1.678 3.547 5.973 1.00 0.00 C ATOM 643 C GLN B 66 -1.843 2.068 5.667 1.00 0.00 C ATOM 644 O GLN B 66 -2.933 1.510 5.784 1.00 0.00 O ATOM 645 CB GLN B 66 -1.421 3.765 7.474 1.00 0.00 C ATOM 646 CG GLN B 66 -2.144 2.791 8.389 1.00 0.00 C ATOM 647 CD GLN B 66 -1.708 2.894 9.842 1.00 0.00 C ATOM 648 OE1 GLN B 66 -1.768 1.917 10.590 1.00 0.00 O ATOM 649 NE2 GLN B 66 -1.280 4.073 10.259 1.00 0.00 N ATOM 650 HE22 GLN B 66 -1.243 4.876 9.599 1.00 0.00 H ATOM 651 HE21 GLN B 66 -0.980 4.198 11.247 1.00 0.00 H ATOM 652 H GLN B 66 -3.774 3.892 5.520 1.00 0.00 H ATOM 653 N LEU B 67 -0.752 1.453 5.257 1.00 0.00 N ATOM 654 CA LEU B 67 -0.732 0.041 4.940 1.00 0.00 C ATOM 655 C LEU B 67 -0.284 -0.750 6.152 1.00 0.00 C ATOM 656 O LEU B 67 0.894 -0.758 6.491 1.00 0.00 O ATOM 657 CB LEU B 67 0.230 -0.237 3.791 1.00 0.00 C ATOM 658 CG LEU B 67 -0.096 0.441 2.465 1.00 0.00 C ATOM 659 CD1 LEU B 67 0.989 0.127 1.452 1.00 0.00 C ATOM 660 CD2 LEU B 67 -1.456 -0.006 1.952 1.00 0.00 C ATOM 661 H LEU B 67 0.126 2.002 5.158 1.00 0.00 H ATOM 662 N VAL B 68 -1.215 -1.398 6.807 1.00 0.00 N ATOM 663 CA VAL B 68 -0.896 -2.188 7.977 1.00 0.00 C ATOM 664 C VAL B 68 -0.607 -3.614 7.547 1.00 0.00 C ATOM 665 O VAL B 68 -1.493 -4.327 7.090 1.00 0.00 O ATOM 666 CB VAL B 68 -2.043 -2.147 8.994 1.00 0.00 C ATOM 667 CG1 VAL B 68 -1.584 -2.646 10.348 1.00 0.00 C ATOM 668 CG2 VAL B 68 -2.583 -0.734 9.101 1.00 0.00 C ATOM 669 H VAL B 68 -2.201 -1.344 6.481 1.00 0.00 H ATOM 670 N LEU B 69 0.638 -4.019 7.679 1.00 0.00 N ATOM 671 CA LEU B 69 1.057 -5.342 7.248 1.00 0.00 C ATOM 672 C LEU B 69 1.021 -6.356 8.374 1.00 0.00 C ATOM 673 O LEU B 69 1.091 -6.003 9.550 1.00 0.00 O ATOM 674 CB LEU B 69 2.471 -5.268 6.684 1.00 0.00 C ATOM 675 CG LEU B 69 2.790 -3.973 5.946 1.00 0.00 C ATOM 676 CD1 LEU B 69 4.233 -3.954 5.514 1.00 0.00 C ATOM 677 CD2 LEU B 69 1.888 -3.806 4.746 1.00 0.00 C ATOM 678 H LEU B 69 1.339 -3.377 8.102 1.00 0.00 H ATOM 679 N HIS B 70 0.931 -7.627 7.999 1.00 0.00 N ATOM 680 CA HIS B 70 0.921 -8.712 8.974 1.00 0.00 C ATOM 681 C HIS B 70 2.347 -8.973 9.433 1.00 0.00 C ATOM 682 O HIS B 70 2.600 -9.782 10.320 1.00 0.00 O ATOM 683 CB HIS B 70 0.311 -10.000 8.397 1.00 0.00 C ATOM 684 CG HIS B 70 0.321 -10.076 6.900 1.00 0.00 C ATOM 685 ND1 HIS B 70 -0.773 -9.795 6.119 1.00 0.00 N ATOM 686 CD2 HIS B 70 1.323 -10.390 6.033 1.00 0.00 C ATOM 687 CE1 HIS B 70 -0.408 -9.934 4.845 1.00 0.00 C ATOM 688 NE2 HIS B 70 0.847 -10.304 4.749 1.00 0.00 N ATOM 689 H HIS B 70 0.866 -7.854 6.986 1.00 0.00 H ATOM 690 N ALA B 71 3.267 -8.259 8.799 1.00 0.00 N ATOM 691 CA ALA B 71 4.684 -8.356 9.097 1.00 0.00 C ATOM 692 C ALA B 71 5.024 -7.565 10.357 1.00 0.00 C ATOM 693 O ALA B 71 6.153 -7.604 10.839 1.00 0.00 O ATOM 694 CB ALA B 71 5.481 -7.830 7.911 1.00 0.00 C ATOM 695 H ALA B 71 2.960 -7.600 8.055 1.00 0.00 H ATOM 696 N GLY B 72 4.033 -6.851 10.882 1.00 0.00 N ATOM 697 CA GLY B 72 4.243 -6.046 12.068 1.00 0.00 C ATOM 698 C GLY B 72 4.740 -4.664 11.710 1.00 0.00 C ATOM 699 O GLY B 72 5.318 -3.963 12.539 1.00 0.00 O ATOM 700 H GLY B 72 3.094 -6.871 10.435 1.00 0.00 H ATOM 701 N ASP B 73 4.496 -4.278 10.467 1.00 0.00 N ATOM 702 CA ASP B 73 4.925 -2.982 9.959 1.00 0.00 C ATOM 703 C ASP B 73 3.742 -2.224 9.370 1.00 0.00 C ATOM 704 O ASP B 73 2.724 -2.828 9.018 1.00 0.00 O ATOM 705 CB ASP B 73 6.016 -3.172 8.898 1.00 0.00 C ATOM 706 CG ASP B 73 6.432 -1.868 8.241 1.00 0.00 C ATOM 707 OD1 ASP B 73 6.405 -1.797 6.996 1.00 0.00 O ATOM 708 OD2 ASP B 73 6.763 -0.913 8.974 1.00 0.00 O ATOM 709 H ASP B 73 3.981 -4.921 9.833 1.00 0.00 H ATOM 710 N THR B 74 3.872 -0.911 9.273 1.00 0.00 N ATOM 711 CA THR B 74 2.819 -0.075 8.727 1.00 0.00 C ATOM 712 C THR B 74 3.411 0.985 7.797 1.00 0.00 C ATOM 713 O THR B 74 4.359 1.681 8.157 1.00 0.00 O ATOM 714 CB THR B 74 2.034 0.632 9.851 1.00 0.00 C ATOM 715 OG1 THR B 74 2.944 1.200 10.802 1.00 0.00 O ATOM 716 CG2 THR B 74 1.102 -0.337 10.562 1.00 0.00 C ATOM 717 HG1 THR B 74 3.527 1.858 10.347 1.00 0.00 H ATOM 718 H THR B 74 4.754 -0.465 9.597 1.00 0.00 H ATOM 719 N THR B 75 2.840 1.113 6.614 1.00 0.00 N ATOM 720 CA THR B 75 3.297 2.088 5.639 1.00 0.00 C ATOM 721 C THR B 75 2.307 3.249 5.555 1.00 0.00 C ATOM 722 O THR B 75 1.263 3.131 4.918 1.00 0.00 O ATOM 723 CB THR B 75 3.445 1.430 4.254 1.00 0.00 C ATOM 724 OG1 THR B 75 4.041 0.133 4.395 1.00 0.00 O ATOM 725 CG2 THR B 75 4.295 2.291 3.332 1.00 0.00 C ATOM 726 HG1 THR B 75 4.134 -0.285 3.502 1.00 0.00 H ATOM 727 H THR B 75 2.038 0.497 6.372 1.00 0.00 H ATOM 728 N ASN B 76 2.627 4.367 6.195 1.00 0.00 N ATOM 729 CA ASN B 76 1.718 5.512 6.197 1.00 0.00 C ATOM 730 C ASN B 76 1.913 6.388 4.968 1.00 0.00 C ATOM 731 O ASN B 76 3.039 6.647 4.541 1.00 0.00 O ATOM 732 CB ASN B 76 1.881 6.354 7.469 1.00 0.00 C ATOM 733 CG ASN B 76 1.341 5.661 8.709 1.00 0.00 C ATOM 734 OD1 ASN B 76 1.340 4.432 8.801 1.00 0.00 O ATOM 735 ND2 ASN B 76 0.864 6.441 9.667 1.00 0.00 N ATOM 736 HD22 ASN B 76 0.882 7.475 9.553 1.00 0.00 H ATOM 737 HD21 ASN B 76 0.471 6.020 10.533 1.00 0.00 H ATOM 738 H ASN B 76 3.534 4.429 6.700 1.00 0.00 H ATOM 739 N PHE B 77 0.795 6.823 4.406 1.00 0.00 N ATOM 740 CA PHE B 77 0.775 7.675 3.232 1.00 0.00 C ATOM 741 C PHE B 77 0.017 8.960 3.537 1.00 0.00 C ATOM 742 O PHE B 77 -1.200 8.951 3.741 1.00 0.00 O ATOM 743 CB PHE B 77 0.126 6.952 2.052 1.00 0.00 C ATOM 744 CG PHE B 77 1.014 5.921 1.422 1.00 0.00 C ATOM 745 CD1 PHE B 77 2.076 6.304 0.619 1.00 0.00 C ATOM 746 CD2 PHE B 77 0.787 4.571 1.627 1.00 0.00 C ATOM 747 CE1 PHE B 77 2.896 5.360 0.035 1.00 0.00 C ATOM 748 CE2 PHE B 77 1.604 3.622 1.045 1.00 0.00 C ATOM 749 CZ PHE B 77 2.660 4.019 0.248 1.00 0.00 C ATOM 750 H PHE B 77 -0.113 6.540 4.827 1.00 0.00 H ATOM 751 N HIS B 78 0.751 10.050 3.574 1.00 0.00 N ATOM 752 CA HIS B 78 0.207 11.366 3.859 1.00 0.00 C ATOM 753 C HIS B 78 -0.262 12.034 2.564 1.00 0.00 C ATOM 754 O HIS B 78 0.548 12.495 1.771 1.00 0.00 O ATOM 755 CB HIS B 78 1.310 12.188 4.552 1.00 0.00 C ATOM 756 CG HIS B 78 1.010 13.635 4.836 1.00 0.00 C ATOM 757 ND1 HIS B 78 1.394 14.267 5.998 1.00 0.00 N ATOM 758 CD2 HIS B 78 0.432 14.597 4.067 1.00 0.00 C ATOM 759 CE1 HIS B 78 1.056 15.557 5.900 1.00 0.00 C ATOM 760 NE2 HIS B 78 0.469 15.810 4.748 1.00 0.00 N ATOM 761 H HIS B 78 1.771 9.966 3.390 1.00 0.00 H ATOM 762 N PHE B 79 -1.567 12.067 2.348 1.00 0.00 N ATOM 763 CA PHE B 79 -2.124 12.697 1.156 1.00 0.00 C ATOM 764 C PHE B 79 -2.057 14.216 1.308 1.00 0.00 C ATOM 765 O PHE B 79 -2.891 14.816 1.990 1.00 0.00 O ATOM 766 CB PHE B 79 -3.576 12.260 0.945 1.00 0.00 C ATOM 767 CG PHE B 79 -3.735 10.870 0.396 1.00 0.00 C ATOM 768 CD1 PHE B 79 -3.923 10.674 -0.958 1.00 0.00 C ATOM 769 CD2 PHE B 79 -3.712 9.764 1.233 1.00 0.00 C ATOM 770 CE1 PHE B 79 -4.087 9.404 -1.472 1.00 0.00 C ATOM 771 CE2 PHE B 79 -3.873 8.488 0.721 1.00 0.00 C ATOM 772 CZ PHE B 79 -4.063 8.311 -0.638 1.00 0.00 C ATOM 773 H PHE B 79 -2.209 11.635 3.043 1.00 0.00 H ATOM 774 N SER B 80 -1.063 14.834 0.686 1.00 0.00 N ATOM 775 CA SER B 80 -0.882 16.276 0.784 1.00 0.00 C ATOM 776 C SER B 80 -1.505 17.028 -0.394 1.00 0.00 C ATOM 777 O SER B 80 -1.469 18.258 -0.433 1.00 0.00 O ATOM 778 CB SER B 80 0.611 16.601 0.912 1.00 0.00 C ATOM 779 OG SER B 80 1.408 15.624 0.257 1.00 0.00 O ATOM 780 HG SER B 80 2.364 15.860 0.356 1.00 0.00 H ATOM 781 H SER B 80 -0.397 14.276 0.115 1.00 0.00 H ATOM 782 N ASN B 81 -2.078 16.304 -1.352 1.00 0.00 N ATOM 783 CA ASN B 81 -2.706 16.950 -2.504 1.00 0.00 C ATOM 784 C ASN B 81 -4.094 17.460 -2.132 1.00 0.00 C ATOM 785 O ASN B 81 -5.083 16.752 -2.276 1.00 0.00 O ATOM 786 CB ASN B 81 -2.801 15.991 -3.697 1.00 0.00 C ATOM 787 CG ASN B 81 -3.098 16.707 -5.008 1.00 0.00 C ATOM 788 OD1 ASN B 81 -3.530 16.089 -5.985 1.00 0.00 O ATOM 789 ND2 ASN B 81 -2.873 18.015 -5.048 1.00 0.00 N ATOM 790 HD22 ASN B 81 -2.509 18.506 -4.207 1.00 0.00 H ATOM 791 HD21 ASN B 81 -3.061 18.549 -5.921 1.00 0.00 H ATOM 792 H ASN B 81 -2.079 15.266 -1.281 1.00 0.00 H ATOM 793 N GLU B 82 -4.146 18.708 -1.688 1.00 0.00 N ATOM 794 CA GLU B 82 -5.388 19.364 -1.261 1.00 0.00 C ATOM 795 C GLU B 82 -6.544 19.163 -2.252 1.00 0.00 C ATOM 796 O GLU B 82 -7.694 18.980 -1.847 1.00 0.00 O ATOM 797 CB GLU B 82 -5.129 20.867 -1.041 1.00 0.00 C ATOM 798 CG GLU B 82 -4.829 21.668 -2.313 1.00 0.00 C ATOM 799 CD GLU B 82 -3.710 21.072 -3.151 1.00 0.00 C ATOM 800 OE1 GLU B 82 -4.002 20.558 -4.253 1.00 0.00 O ATOM 801 OE2 GLU B 82 -2.553 21.075 -2.694 1.00 0.00 O ATOM 802 H GLU B 82 -3.260 19.251 -1.640 1.00 0.00 H ATOM 803 N SER B 83 -6.223 19.183 -3.537 1.00 0.00 N ATOM 804 CA SER B 83 -7.205 19.025 -4.598 1.00 0.00 C ATOM 805 C SER B 83 -8.056 17.766 -4.453 1.00 0.00 C ATOM 806 O SER B 83 -9.288 17.847 -4.356 1.00 0.00 O ATOM 807 CB SER B 83 -6.494 19.015 -5.953 1.00 0.00 C ATOM 808 OG SER B 83 -5.783 20.224 -6.170 1.00 0.00 O ATOM 809 HG SER B 83 -5.105 20.339 -5.458 1.00 0.00 H ATOM 810 H SER B 83 -5.225 19.318 -3.798 1.00 0.00 H ATOM 811 N THR B 84 -7.431 16.604 -4.442 1.00 0.00 N ATOM 812 CA THR B 84 -8.199 15.376 -4.383 1.00 0.00 C ATOM 813 C THR B 84 -7.789 14.409 -3.270 1.00 0.00 C ATOM 814 O THR B 84 -8.300 13.304 -3.237 1.00 0.00 O ATOM 815 CB THR B 84 -8.124 14.687 -5.756 1.00 0.00 C ATOM 816 OG1 THR B 84 -6.763 14.646 -6.212 1.00 0.00 O ATOM 817 CG2 THR B 84 -8.962 15.461 -6.762 1.00 0.00 C ATOM 818 HG1 THR B 84 -6.214 14.139 -5.563 1.00 0.00 H ATOM 819 H THR B 84 -6.392 16.569 -4.476 1.00 0.00 H ATOM 820 N ALA B 85 -6.930 14.839 -2.343 1.00 0.00 N ATOM 821 CA ALA B 85 -6.439 13.974 -1.249 1.00 0.00 C ATOM 822 C ALA B 85 -7.529 13.125 -0.598 1.00 0.00 C ATOM 823 O ALA B 85 -7.347 11.928 -0.413 1.00 0.00 O ATOM 824 CB ALA B 85 -5.743 14.803 -0.181 1.00 0.00 C ATOM 825 H ALA B 85 -6.593 15.822 -2.392 1.00 0.00 H ATOM 826 N VAL B 86 -8.644 13.743 -0.236 1.00 0.00 N ATOM 827 CA VAL B 86 -9.748 13.019 0.392 1.00 0.00 C ATOM 828 C VAL B 86 -10.259 11.898 -0.525 1.00 0.00 C ATOM 829 O VAL B 86 -10.329 10.738 -0.127 1.00 0.00 O ATOM 830 CB VAL B 86 -10.898 13.993 0.764 1.00 0.00 C ATOM 831 CG1 VAL B 86 -12.263 13.314 0.717 1.00 0.00 C ATOM 832 CG2 VAL B 86 -10.670 14.587 2.140 1.00 0.00 C ATOM 833 H VAL B 86 -8.736 14.766 -0.402 1.00 0.00 H ATOM 834 N LYS B 87 -10.563 12.255 -1.768 1.00 0.00 N ATOM 835 CA LYS B 87 -11.061 11.300 -2.759 1.00 0.00 C ATOM 836 C LYS B 87 -9.967 10.301 -3.118 1.00 0.00 C ATOM 837 O LYS B 87 -10.239 9.133 -3.379 1.00 0.00 O ATOM 838 CB LYS B 87 -11.520 12.058 -4.012 1.00 0.00 C ATOM 839 CG LYS B 87 -12.323 13.319 -3.707 1.00 0.00 C ATOM 840 CD LYS B 87 -11.752 14.535 -4.427 1.00 0.00 C ATOM 841 CE LYS B 87 -12.432 15.824 -3.984 1.00 0.00 C ATOM 842 NZ LYS B 87 -11.867 17.021 -4.669 1.00 0.00 N ATOM 843 HZ1 LYS B 87 -10.853 17.098 -4.450 1.00 0.00 H ATOM 844 HZ2 LYS B 87 -11.995 16.924 -5.696 1.00 0.00 H ATOM 845 HZ3 LYS B 87 -12.360 17.874 -4.336 1.00 0.00 H ATOM 846 H LYS B 87 -10.443 13.250 -2.047 1.00 0.00 H ATOM 847 N GLU B 88 -8.733 10.781 -3.135 1.00 0.00 N ATOM 848 CA GLU B 88 -7.582 9.948 -3.421 1.00 0.00 C ATOM 849 C GLU B 88 -7.439 8.910 -2.320 1.00 0.00 C ATOM 850 O GLU B 88 -7.280 7.726 -2.597 1.00 0.00 O ATOM 851 CB GLU B 88 -6.329 10.817 -3.563 1.00 0.00 C ATOM 852 CG GLU B 88 -6.087 11.275 -4.994 1.00 0.00 C ATOM 853 CD GLU B 88 -5.029 12.354 -5.114 1.00 0.00 C ATOM 854 OE1 GLU B 88 -5.221 13.444 -4.543 1.00 0.00 O ATOM 855 OE2 GLU B 88 -4.025 12.137 -5.824 1.00 0.00 O ATOM 856 H GLU B 88 -8.585 11.791 -2.936 1.00 0.00 H ATOM 857 N ARG B 89 -7.536 9.365 -1.069 1.00 0.00 N ATOM 858 CA ARG B 89 -7.475 8.481 0.093 1.00 0.00 C ATOM 859 C ARG B 89 -8.507 7.392 -0.077 1.00 0.00 C ATOM 860 O ARG B 89 -8.235 6.206 0.090 1.00 0.00 O ATOM 861 CB ARG B 89 -7.803 9.259 1.370 1.00 0.00 C ATOM 862 CG ARG B 89 -7.766 8.430 2.639 1.00 0.00 C ATOM 863 CD ARG B 89 -8.641 9.059 3.716 1.00 0.00 C ATOM 864 NE ARG B 89 -9.966 9.421 3.199 1.00 0.00 N ATOM 865 CZ ARG B 89 -10.700 10.440 3.652 1.00 0.00 C ATOM 866 NH1 ARG B 89 -10.272 11.188 4.661 1.00 0.00 N ATOM 867 NH2 ARG B 89 -11.876 10.705 3.098 1.00 0.00 N ATOM 868 HE ARG B 89 -10.360 8.845 2.428 1.00 0.00 H ATOM 869 HH12 ARG B 89 -10.853 11.979 5.005 1.00 0.00 H ATOM 870 HH11 ARG B 89 -9.356 10.983 5.108 1.00 0.00 H ATOM 871 HH22 ARG B 89 -12.449 11.498 3.449 1.00 0.00 H ATOM 872 HH21 ARG B 89 -12.224 10.119 2.312 1.00 0.00 H ATOM 873 H ARG B 89 -7.660 10.386 -0.916 1.00 0.00 H ATOM 874 N ASP B 90 -9.694 7.839 -0.430 1.00 0.00 N ATOM 875 CA ASP B 90 -10.828 6.974 -0.642 1.00 0.00 C ATOM 876 C ASP B 90 -10.612 5.996 -1.791 1.00 0.00 C ATOM 877 O ASP B 90 -10.861 4.812 -1.624 1.00 0.00 O ATOM 878 CB ASP B 90 -12.079 7.829 -0.825 1.00 0.00 C ATOM 879 CG ASP B 90 -12.769 8.052 0.504 1.00 0.00 C ATOM 880 OD1 ASP B 90 -12.719 9.184 1.028 1.00 0.00 O ATOM 881 OD2 ASP B 90 -13.321 7.071 1.051 1.00 0.00 O ATOM 882 H ASP B 90 -9.819 8.863 -0.562 1.00 0.00 H ATOM 883 N ALA B 91 -10.119 6.466 -2.927 1.00 0.00 N ATOM 884 CA ALA B 91 -9.877 5.586 -4.075 1.00 0.00 C ATOM 885 C ALA B 91 -8.771 4.575 -3.772 1.00 0.00 C ATOM 886 O ALA B 91 -8.889 3.406 -4.132 1.00 0.00 O ATOM 887 CB ALA B 91 -9.537 6.402 -5.311 1.00 0.00 C ATOM 888 H ALA B 91 -9.899 7.479 -3.006 1.00 0.00 H ATOM 889 N VAL B 92 -7.691 5.025 -3.126 1.00 0.00 N ATOM 890 CA VAL B 92 -6.603 4.120 -2.749 1.00 0.00 C ATOM 891 C VAL B 92 -7.182 3.073 -1.809 1.00 0.00 C ATOM 892 O VAL B 92 -6.930 1.880 -1.949 1.00 0.00 O ATOM 893 CB VAL B 92 -5.444 4.862 -2.048 1.00 0.00 C ATOM 894 CG1 VAL B 92 -4.305 3.907 -1.736 1.00 0.00 C ATOM 895 CG2 VAL B 92 -4.938 6.004 -2.906 1.00 0.00 C ATOM 896 H VAL B 92 -7.622 6.035 -2.887 1.00 0.00 H ATOM 897 N LYS B 93 -7.999 3.555 -0.873 1.00 0.00 N ATOM 898 CA LYS B 93 -8.683 2.709 0.098 1.00 0.00 C ATOM 899 C LYS B 93 -9.570 1.706 -0.625 1.00 0.00 C ATOM 900 O LYS B 93 -9.447 0.503 -0.439 1.00 0.00 O ATOM 901 CB LYS B 93 -9.544 3.580 1.023 1.00 0.00 C ATOM 902 CG LYS B 93 -10.464 2.794 1.947 1.00 0.00 C ATOM 903 CD LYS B 93 -11.657 3.630 2.402 1.00 0.00 C ATOM 904 CE LYS B 93 -12.847 3.487 1.456 1.00 0.00 C ATOM 905 NZ LYS B 93 -12.850 4.520 0.385 1.00 0.00 N ATOM 906 HZ1 LYS B 93 -12.895 5.465 0.817 1.00 0.00 H ATOM 907 HZ2 LYS B 93 -11.980 4.436 -0.179 1.00 0.00 H ATOM 908 HZ3 LYS B 93 -13.677 4.378 -0.229 1.00 0.00 H ATOM 909 H LYS B 93 -8.156 4.582 -0.833 1.00 0.00 H ATOM 910 N ASP B 94 -10.448 2.234 -1.463 1.00 0.00 N ATOM 911 CA ASP B 94 -11.381 1.435 -2.243 1.00 0.00 C ATOM 912 C ASP B 94 -10.672 0.362 -3.048 1.00 0.00 C ATOM 913 O ASP B 94 -10.991 -0.818 -2.930 1.00 0.00 O ATOM 914 CB ASP B 94 -12.192 2.348 -3.168 1.00 0.00 C ATOM 915 CG ASP B 94 -13.489 2.812 -2.534 1.00 0.00 C ATOM 916 OD1 ASP B 94 -14.460 2.033 -2.531 1.00 0.00 O ATOM 917 OD2 ASP B 94 -13.535 3.953 -2.025 1.00 0.00 O ATOM 918 H ASP B 94 -10.472 3.268 -1.569 1.00 0.00 H ATOM 919 N LEU B 95 -9.696 0.768 -3.842 1.00 0.00 N ATOM 920 CA LEU B 95 -8.948 -0.166 -4.670 1.00 0.00 C ATOM 921 C LEU B 95 -8.211 -1.183 -3.808 1.00 0.00 C ATOM 922 O LEU B 95 -8.148 -2.347 -4.161 1.00 0.00 O ATOM 923 CB LEU B 95 -7.965 0.586 -5.571 1.00 0.00 C ATOM 924 CG LEU B 95 -7.525 -0.170 -6.827 1.00 0.00 C ATOM 925 CD1 LEU B 95 -8.720 -0.450 -7.728 1.00 0.00 C ATOM 926 CD2 LEU B 95 -6.464 0.618 -7.579 1.00 0.00 C ATOM 927 H LEU B 95 -9.457 1.780 -3.876 1.00 0.00 H ATOM 928 N LEU B 96 -7.671 -0.754 -2.676 1.00 0.00 N ATOM 929 CA LEU B 96 -6.966 -1.669 -1.783 1.00 0.00 C ATOM 930 C LEU B 96 -7.955 -2.616 -1.111 1.00 0.00 C ATOM 931 O LEU B 96 -7.700 -3.799 -1.020 1.00 0.00 O ATOM 932 CB LEU B 96 -6.181 -0.902 -0.720 1.00 0.00 C ATOM 933 CG LEU B 96 -4.835 -0.344 -1.172 1.00 0.00 C ATOM 934 CD1 LEU B 96 -4.339 0.703 -0.189 1.00 0.00 C ATOM 935 CD2 LEU B 96 -3.819 -1.462 -1.306 1.00 0.00 C ATOM 936 H LEU B 96 -7.751 0.251 -2.420 1.00 0.00 H ATOM 937 N GLN B 97 -9.093 -2.099 -0.649 1.00 0.00 N ATOM 938 CA GLN B 97 -10.109 -2.948 -0.017 1.00 0.00 C ATOM 939 C GLN B 97 -10.637 -3.939 -1.044 1.00 0.00 C ATOM 940 O GLN B 97 -11.205 -4.978 -0.718 1.00 0.00 O ATOM 941 CB GLN B 97 -11.266 -2.114 0.541 1.00 0.00 C ATOM 942 CG GLN B 97 -10.872 -1.231 1.710 1.00 0.00 C ATOM 943 CD GLN B 97 -12.066 -0.736 2.500 1.00 0.00 C ATOM 944 OE1 GLN B 97 -12.624 0.320 2.211 1.00 0.00 O ATOM 945 NE2 GLN B 97 -12.461 -1.497 3.507 1.00 0.00 N ATOM 946 HE22 GLN B 97 -11.960 -2.384 3.717 1.00 0.00 H ATOM 947 HE21 GLN B 97 -13.273 -1.209 4.089 1.00 0.00 H ATOM 948 H GLN B 97 -9.264 -1.077 -0.738 1.00 0.00 H ATOM 949 N GLN B 98 -10.445 -3.574 -2.295 1.00 0.00 N ATOM 950 CA GLN B 98 -10.841 -4.380 -3.428 1.00 0.00 C ATOM 951 C GLN B 98 -9.764 -5.413 -3.740 1.00 0.00 C ATOM 952 O GLN B 98 -10.023 -6.609 -3.872 1.00 0.00 O ATOM 953 CB GLN B 98 -11.004 -3.458 -4.645 1.00 0.00 C ATOM 954 CG GLN B 98 -12.369 -2.806 -4.781 1.00 0.00 C ATOM 955 CD GLN B 98 -13.519 -3.758 -4.550 1.00 0.00 C ATOM 956 OE1 GLN B 98 -13.453 -4.942 -4.899 1.00 0.00 O ATOM 957 NE2 GLN B 98 -14.579 -3.241 -3.953 1.00 0.00 N ATOM 958 HE22 GLN B 98 -14.584 -2.238 -3.679 1.00 0.00 H ATOM 959 HE21 GLN B 98 -15.408 -3.838 -3.757 1.00 0.00 H ATOM 960 H GLN B 98 -9.985 -2.659 -2.477 1.00 0.00 H ATOM 961 N LEU B 99 -8.560 -4.903 -3.841 1.00 0.00 N ATOM 962 CA LEU B 99 -7.370 -5.655 -4.202 1.00 0.00 C ATOM 963 C LEU B 99 -6.755 -6.496 -3.076 1.00 0.00 C ATOM 964 O LEU B 99 -6.444 -7.666 -3.288 1.00 0.00 O ATOM 965 CB LEU B 99 -6.356 -4.636 -4.716 1.00 0.00 C ATOM 966 CG LEU B 99 -6.519 -4.275 -6.194 1.00 0.00 C ATOM 967 CD1 LEU B 99 -5.719 -3.030 -6.537 1.00 0.00 C ATOM 968 CD2 LEU B 99 -6.107 -5.439 -7.079 1.00 0.00 C ATOM 969 H LEU B 99 -8.449 -3.887 -3.649 1.00 0.00 H ATOM 970 N LEU B 100 -6.600 -5.912 -1.895 1.00 0.00 N ATOM 971 CA LEU B 100 -5.958 -6.591 -0.763 1.00 0.00 C ATOM 972 C LEU B 100 -6.515 -7.994 -0.483 1.00 0.00 C ATOM 973 O LEU B 100 -5.768 -8.967 -0.573 1.00 0.00 O ATOM 974 CB LEU B 100 -5.994 -5.723 0.504 1.00 0.00 C ATOM 975 CG LEU B 100 -5.001 -4.562 0.480 1.00 0.00 C ATOM 976 CD1 LEU B 100 -4.987 -3.791 1.788 1.00 0.00 C ATOM 977 CD2 LEU B 100 -3.617 -5.067 0.179 1.00 0.00 C ATOM 978 H LEU B 100 -6.945 -4.939 -1.767 1.00 0.00 H ATOM 979 N PRO B 101 -7.824 -8.145 -0.176 1.00 0.00 N ATOM 980 CA PRO B 101 -8.411 -9.462 0.134 1.00 0.00 C ATOM 981 C PRO B 101 -8.351 -10.454 -1.028 1.00 0.00 C ATOM 982 O PRO B 101 -8.575 -11.647 -0.839 1.00 0.00 O ATOM 983 CB PRO B 101 -9.869 -9.141 0.473 1.00 0.00 C ATOM 984 CG PRO B 101 -10.132 -7.826 -0.169 1.00 0.00 C ATOM 985 CD PRO B 101 -8.835 -7.073 -0.105 1.00 0.00 C ATOM 986 N LYS B 102 -8.061 -9.965 -2.227 1.00 0.00 N ATOM 987 CA LYS B 102 -7.981 -10.833 -3.394 1.00 0.00 C ATOM 988 C LYS B 102 -6.580 -11.417 -3.560 1.00 0.00 C ATOM 989 O LYS B 102 -6.351 -12.253 -4.433 1.00 0.00 O ATOM 990 CB LYS B 102 -8.398 -10.080 -4.662 1.00 0.00 C ATOM 991 CG LYS B 102 -9.904 -9.910 -4.797 1.00 0.00 C ATOM 992 CD LYS B 102 -10.321 -9.700 -6.246 1.00 0.00 C ATOM 993 CE LYS B 102 -10.436 -8.224 -6.598 1.00 0.00 C ATOM 994 NZ LYS B 102 -11.523 -7.550 -5.833 1.00 0.00 N ATOM 995 HZ1 LYS B 102 -12.432 -8.007 -6.048 1.00 0.00 H ATOM 996 HZ2 LYS B 102 -11.328 -7.627 -4.814 1.00 0.00 H ATOM 997 HZ3 LYS B 102 -11.565 -6.547 -6.104 1.00 0.00 H ATOM 998 H LYS B 102 -7.888 -8.945 -2.335 1.00 0.00 H ATOM 999 N PHE B 103 -5.645 -10.964 -2.734 1.00 0.00 N ATOM 1000 CA PHE B 103 -4.271 -11.450 -2.807 1.00 0.00 C ATOM 1001 C PHE B 103 -3.773 -11.944 -1.451 1.00 0.00 C ATOM 1002 O PHE B 103 -2.905 -12.815 -1.381 1.00 0.00 O ATOM 1003 CB PHE B 103 -3.343 -10.350 -3.329 1.00 0.00 C ATOM 1004 CG PHE B 103 -3.559 -10.019 -4.780 1.00 0.00 C ATOM 1005 CD1 PHE B 103 -3.075 -10.853 -5.775 1.00 0.00 C ATOM 1006 CD2 PHE B 103 -4.251 -8.877 -5.149 1.00 0.00 C ATOM 1007 CE1 PHE B 103 -3.276 -10.553 -7.109 1.00 0.00 C ATOM 1008 CE2 PHE B 103 -4.455 -8.572 -6.480 1.00 0.00 C ATOM 1009 CZ PHE B 103 -3.967 -9.412 -7.462 1.00 0.00 C ATOM 1010 H PHE B 103 -5.896 -10.249 -2.021 1.00 0.00 H ATOM 1011 N LYS B 104 -4.313 -11.384 -0.380 1.00 0.00 N ATOM 1012 CA LYS B 104 -3.906 -11.766 0.968 1.00 0.00 C ATOM 1013 C LYS B 104 -4.830 -12.831 1.546 1.00 0.00 C ATOM 1014 O LYS B 104 -5.883 -13.139 0.984 1.00 0.00 O ATOM 1015 CB LYS B 104 -3.913 -10.544 1.893 1.00 0.00 C ATOM 1016 CG LYS B 104 -5.314 -10.048 2.221 1.00 0.00 C ATOM 1017 CD LYS B 104 -5.297 -8.902 3.215 1.00 0.00 C ATOM 1018 CE LYS B 104 -6.600 -8.121 3.172 1.00 0.00 C ATOM 1019 NZ LYS B 104 -7.183 -7.930 4.522 1.00 0.00 N ATOM 1020 HZ1 LYS B 104 -7.376 -8.858 4.949 1.00 0.00 H ATOM 1021 HZ2 LYS B 104 -6.511 -7.406 5.118 1.00 0.00 H ATOM 1022 HZ3 LYS B 104 -8.070 -7.393 4.442 1.00 0.00 H ATOM 1023 H LYS B 104 -5.044 -10.655 -0.502 1.00 0.00 H ATOM 1024 N ARG B 105 -4.422 -13.384 2.675 1.00 0.00 N ATOM 1025 CA ARG B 105 -5.201 -14.386 3.375 1.00 0.00 C ATOM 1026 C ARG B 105 -5.065 -14.138 4.864 1.00 0.00 C ATOM 1027 O ARG B 105 -3.952 -14.007 5.369 1.00 0.00 O ATOM 1028 CB ARG B 105 -4.742 -15.808 3.026 1.00 0.00 C ATOM 1029 CG ARG B 105 -5.805 -16.879 3.277 1.00 0.00 C ATOM 1030 CD ARG B 105 -5.880 -17.287 4.746 1.00 0.00 C ATOM 1031 NE ARG B 105 -7.125 -18.001 5.066 1.00 0.00 N ATOM 1032 CZ ARG B 105 -7.659 -18.063 6.295 1.00 0.00 C ATOM 1033 NH1 ARG B 105 -7.063 -17.477 7.320 1.00 0.00 N ATOM 1034 NH2 ARG B 105 -8.794 -18.719 6.502 1.00 0.00 N ATOM 1035 HE ARG B 105 -7.622 -18.487 4.293 1.00 0.00 H ATOM 1036 HH12 ARG B 105 -7.486 -17.532 8.268 1.00 0.00 H ATOM 1037 HH11 ARG B 105 -6.171 -16.961 7.178 1.00 0.00 H ATOM 1038 HH22 ARG B 105 -9.202 -18.763 7.457 1.00 0.00 H ATOM 1039 HH21 ARG B 105 -9.275 -19.189 5.709 1.00 0.00 H ATOM 1040 H ARG B 105 -3.509 -13.089 3.076 1.00 0.00 H ATOM 1041 N LYS B 106 -6.204 -14.065 5.541 1.00 0.00 N ATOM 1042 CA LYS B 106 -6.255 -13.824 6.979 1.00 0.00 C ATOM 1043 C LYS B 106 -5.270 -14.695 7.753 1.00 0.00 C ATOM 1044 O LYS B 106 -4.973 -15.827 7.360 1.00 0.00 O ATOM 1045 CB LYS B 106 -7.665 -14.101 7.504 1.00 0.00 C ATOM 1046 CG LYS B 106 -8.691 -13.048 7.128 1.00 0.00 C ATOM 1047 CD LYS B 106 -9.971 -13.210 7.935 1.00 0.00 C ATOM 1048 CE LYS B 106 -9.947 -12.386 9.217 1.00 0.00 C ATOM 1049 NZ LYS B 106 -8.917 -12.857 10.185 1.00 0.00 N ATOM 1050 HZ1 LYS B 106 -9.113 -13.845 10.445 1.00 0.00 H ATOM 1051 HZ2 LYS B 106 -7.976 -12.793 9.747 1.00 0.00 H ATOM 1052 HZ3 LYS B 106 -8.946 -12.261 11.037 1.00 0.00 H ATOM 1053 H LYS B 106 -7.099 -14.185 5.024 1.00 0.00 H ATOM 1054 N ALA B 107 -4.791 -14.170 8.872 1.00 0.00 N ATOM 1055 CA ALA B 107 -3.876 -14.905 9.732 1.00 0.00 C ATOM 1056 C ALA B 107 -4.692 -15.757 10.687 1.00 0.00 C ATOM 1057 O ALA B 107 -4.172 -16.430 11.577 1.00 0.00 O ATOM 1058 CB ALA B 107 -2.958 -13.954 10.489 1.00 0.00 C ATOM 1059 H ALA B 107 -5.077 -13.207 9.142 1.00 0.00 H ATOM 1060 N ASN B 108 -5.987 -15.702 10.450 1.00 0.00 N ATOM 1061 CA ASN B 108 -6.987 -16.425 11.212 1.00 0.00 C ATOM 1062 C ASN B 108 -8.282 -16.430 10.411 1.00 0.00 C ATOM 1063 O ASN B 108 -8.457 -17.340 9.570 1.00 0.00 O ATOM 1064 CB ASN B 108 -7.206 -15.768 12.581 1.00 0.00 C ATOM 1065 CG ASN B 108 -8.251 -16.484 13.419 1.00 0.00 C ATOM 1066 OD1 ASN B 108 -8.384 -17.706 13.368 1.00 0.00 O ATOM 1067 ND2 ASN B 108 -9.000 -15.723 14.202 1.00 0.00 N ATOM 1068 OXT ASN B 108 -9.083 -15.480 10.571 1.00 0.00 O ATOM 1069 HD22 ASN B 108 -8.857 -14.693 14.217 1.00 0.00 H ATOM 1070 HD21 ASN B 108 -9.731 -16.155 14.802 1.00 0.00 H ATOM 1071 H ASN B 108 -6.313 -15.101 9.666 1.00 0.00 H TER 1072 ASN B 108 HETATM 1073 N TYR A 1 6.093 10.821 15.783 1.00 0.24 N HETATM 1074 CA TYR A 1 6.432 10.357 17.144 1.00 0.07 C HETATM 1075 C TYR A 1 7.341 9.133 17.074 1.00 0.23 C HETATM 1076 O TYR A 1 8.013 8.916 16.070 1.00 -0.39 O HETATM 1077 N TYR A 1 7.368 8.340 18.145 1.00 -0.26 N HETATM 1078 CA TYR A 1 8.198 7.138 18.192 1.00 0.13 C HETATM 1079 C TYR A 1 7.778 6.154 17.103 1.00 0.20 C HETATM 1080 O TYR A 1 6.631 5.709 17.065 1.00 -0.39 O HETATM 1081 N TYR A 1 8.705 5.836 16.211 1.00 -0.27 N HETATM 1082 CA TYR A 1 8.408 4.921 15.127 1.00 0.12 C HETATM 1083 C TYR A 1 7.843 5.652 13.929 1.00 0.20 C HETATM 1084 O TYR A 1 8.553 5.908 12.957 1.00 -0.39 O HETATM 1085 N TYR A 1 6.568 6.001 14.008 1.00 -0.26 N HETATM 1086 CA TYR A 1 5.907 6.726 12.937 1.00 0.13 C HETATM 1087 C TYR A 1 6.026 8.223 13.195 1.00 0.20 C HETATM 1088 O TYR A 1 5.559 8.725 14.222 1.00 -0.39 O HETATM 1089 N TYR A 1 6.651 8.931 12.267 1.00 -0.26 N HETATM 1090 CA TYR A 1 6.854 10.366 12.410 1.00 0.14 C HETATM 1091 C TYR A 1 6.503 11.113 11.140 1.00 0.21 C HETATM 1092 O TYR A 1 7.100 12.143 10.863 1.00 -0.39 O HETATM 1093 N TYR A 1 5.573 10.606 10.341 1.00 -0.26 N HETATM 1094 CA TYR A 1 5.202 11.320 9.120 1.00 0.14 C HETATM 1095 C TYR A 1 4.666 12.695 9.484 1.00 0.21 C HETATM 1096 O TYR A 1 4.902 13.669 8.770 1.00 -0.39 O HETATM 1097 N TYR A 1 3.959 12.751 10.613 1.00 -0.26 N HETATM 1098 CA TYR A 1 3.416 13.991 11.162 1.00 0.13 C HETATM 1099 C TYR A 1 2.447 13.670 12.298 1.00 0.20 C HETATM 1100 O TYR A 1 2.801 13.747 13.475 1.00 -0.39 O HETATM 1101 N TYR A 1 1.237 13.285 11.928 1.00 -0.26 N HETATM 1102 CA TYR A 1 0.200 12.927 12.886 1.00 0.13 C HETATM 1103 C TYR A 1 -0.547 11.724 12.361 1.00 0.20 C HETATM 1104 O TYR A 1 -1.232 11.808 11.345 1.00 -0.39 O HETATM 1105 N TYR A 1 -0.410 10.608 13.042 1.00 -0.26 N HETATM 1106 CA TYR A 1 -1.055 9.385 12.611 1.00 0.14 C HETATM 1107 C TYR A 1 -1.634 8.649 13.805 1.00 0.21 C HETATM 1108 O TYR A 1 -0.996 7.757 14.363 1.00 -0.39 O HETATM 1109 N TYR A 1 -2.832 9.029 14.201 1.00 -0.26 N HETATM 1110 CA TYR A 1 -3.477 8.419 15.365 1.00 0.14 C HETATM 1111 C TYR A 1 -4.963 8.164 15.152 1.00 0.21 C HETATM 1112 O TYR A 1 -5.436 7.057 15.404 1.00 -0.39 O HETATM 1113 N TYR A 1 -5.697 9.171 14.683 1.00 -0.26 N HETATM 1114 CA TYR A 1 -7.137 9.026 14.429 1.00 0.14 C HETATM 1115 C TYR A 1 -7.369 8.141 13.213 1.00 0.21 C HETATM 1116 O TYR A 1 -8.481 8.038 12.692 1.00 -0.39 O HETATM 1117 N TYR A 1 -6.292 7.504 12.790 1.00 -0.26 N HETATM 1118 CA TYR A 1 -6.276 6.607 11.677 1.00 0.14 C HETATM 1119 C TYR A 1 -7.324 5.515 11.866 1.00 0.21 C HETATM 1120 O TYR A 1 -7.212 4.677 12.759 1.00 -0.39 O HETATM 1121 N TYR A 1 -8.322 5.523 11.007 1.00 -0.26 N HETATM 1122 CA TYR A 1 -9.415 4.570 11.095 1.00 0.15 C HETATM 1123 C TYR A 1 -9.166 3.365 10.211 1.00 0.21 C HETATM 1124 O TYR A 1 -8.785 3.503 9.051 1.00 -0.39 O HETATM 1125 N TYR A 1 -9.377 2.187 10.768 1.00 -0.26 N HETATM 1126 CA TYR A 1 -9.191 0.948 10.036 1.00 0.13 C HETATM 1127 C TYR A 1 -10.403 0.666 9.186 1.00 0.20 C HETATM 1128 O TYR A 1 -11.403 1.385 9.253 1.00 -0.39 O HETATM 1129 N TYR A 1 -10.321 -0.383 8.391 1.00 -0.26 N HETATM 1130 CA TYR A 1 -11.443 -0.751 7.559 1.00 0.15 C HETATM 1131 C TYR A 1 -11.305 -2.168 7.021 1.00 0.21 C HETATM 1132 O TYR A 1 -12.296 -2.794 6.653 1.00 -0.39 O HETATM 1133 N TYR A 1 -10.080 -2.676 6.974 1.00 -0.26 N HETATM 1134 CA TYR A 1 -9.849 -4.033 6.488 1.00 0.14 C HETATM 1135 C TYR A 1 -10.099 -5.041 7.605 1.00 0.21 C HETATM 1136 O TYR A 1 -10.290 -6.229 7.347 1.00 -0.39 O HETATM 1137 N TYR A 1 -10.061 -4.541 8.847 1.00 -0.26 N HETATM 1138 CA TYR A 1 -10.313 -5.338 10.050 1.00 0.13 C HETATM 1139 C TYR A 1 -9.127 -6.223 10.393 1.00 0.20 C HETATM 1140 O TYR A 1 -8.065 -6.132 9.767 1.00 -0.39 O HETATM 1141 N TYR A 1 -9.302 -7.068 11.400 1.00 -0.26 N HETATM 1142 CA TYR A 1 -8.242 -7.956 11.822 1.00 0.14 C HETATM 1143 C TYR A 1 -8.105 -9.137 10.877 1.00 0.21 C HETATM 1144 O TYR A 1 -8.710 -10.193 11.072 1.00 -0.39 O HETATM 1145 N TYR A 1 -7.335 -8.928 9.827 1.00 -0.27 N HETATM 1146 CA TYR A 1 -7.072 -9.960 8.842 1.00 0.11 C HETATM 1147 C TYR A 1 -6.099 -10.976 9.421 1.00 0.06 C HETATM 1148 O TYR A 1 -6.478 -12.155 9.553 1.00 -0.57 O HETATM 1149 OXT TYR A 1 -4.975 -10.574 9.788 1.00 -0.57 O HETATM 1150 CB TYR A 1 -6.492 -9.335 7.577 1.00 0.04 C HETATM 1151 CG TYR A 1 -6.444 -10.296 6.410 1.00 0.04 C HETATM 1152 OD1 TYR A 1 -5.417 -10.975 6.238 1.00 -0.57 O HETATM 1153 OD2 TYR A 1 -7.430 -10.344 5.641 1.00 -0.57 O HETATM 1154 H105 TYR A 1 -5.469 -8.994 7.792 1.00 0.05 H HETATM 1155 H106 TYR A 1 -7.114 -8.473 7.295 1.00 0.05 H HETATM 1156 H104 TYR A 1 -8.015 -10.468 8.591 1.00 0.07 H HETATM 1157 H103 TYR A 1 -6.918 -8.027 9.706 1.00 0.19 H HETATM 1158 CB TYR A 1 -8.442 -8.453 13.253 1.00 0.04 C HETATM 1159 CG TYR A 1 -7.280 -9.315 13.710 1.00 0.04 C HETATM 1160 OD1 TYR A 1 -7.499 -10.500 14.028 1.00 -0.57 O HETATM 1161 OD2 TYR A 1 -6.133 -8.807 13.721 1.00 -0.57 O HETATM 1162 H101 TYR A 1 -9.367 -9.046 13.299 1.00 0.05 H HETATM 1163 H102 TYR A 1 -8.529 -7.585 13.924 1.00 0.05 H HETATM 1164 H100 TYR A 1 -7.301 -7.387 11.793 1.00 0.08 H HETATM 1165 H99 TYR A 1 -10.182 -7.091 11.875 1.00 0.19 H HETATM 1166 CB TYR A 1 -11.579 -6.185 9.907 1.00 -0.00 C HETATM 1167 CG TYR A 1 -12.631 -5.879 10.957 1.00 0.00 C HETATM 1168 CD TYR A 1 -12.064 -5.837 12.359 1.00 0.04 C HETATM 1169 OE1 TYR A 1 -12.079 -4.754 12.976 1.00 -0.57 O HETATM 1170 OE2 TYR A 1 -11.586 -6.889 12.832 1.00 -0.57 O HETATM 1171 H97 TYR A 1 -13.407 -6.658 10.915 1.00 0.04 H HETATM 1172 H98 TYR A 1 -13.080 -4.901 10.730 1.00 0.04 H HETATM 1173 H95 TYR A 1 -11.300 -7.246 9.992 1.00 0.03 H HETATM 1174 H96 TYR A 1 -12.013 -5.998 8.914 1.00 0.03 H HETATM 1175 H94 TYR A 1 -10.466 -4.640 10.886 1.00 0.08 H HETATM 1176 H93 TYR A 1 -9.849 -3.570 8.959 1.00 0.19 H HETATM 1177 CB TYR A 1 -8.429 -4.179 5.948 1.00 0.04 C HETATM 1178 CG TYR A 1 -8.392 -4.563 4.481 1.00 0.04 C HETATM 1179 OD1 TYR A 1 -8.594 -5.755 4.170 1.00 -0.57 O HETATM 1180 OD2 TYR A 1 -8.142 -3.674 3.640 1.00 -0.57 O HETATM 1181 H91 TYR A 1 -7.911 -4.957 6.528 1.00 0.05 H HETATM 1182 H92 TYR A 1 -7.906 -3.220 6.073 1.00 0.05 H HETATM 1183 H90 TYR A 1 -10.555 -4.235 5.669 1.00 0.08 H HETATM 1184 H89 TYR A 1 -9.304 -2.122 7.276 1.00 0.19 H HETATM 1185 CB TYR A 1 -11.615 0.243 6.410 1.00 0.08 C HETATM 1186 CG TYR A 1 -13.063 0.652 6.218 1.00 0.18 C HETATM 1187 OD1 TYR A 1 -13.788 0.073 5.409 1.00 -0.40 O HETATM 1188 ND2 TYR A 1 -13.498 1.650 6.971 1.00 -0.30 N HETATM 1189 H87 TYR A 1 -14.444 1.963 6.888 1.00 0.18 H HETATM 1190 H88 TYR A 1 -12.881 2.091 7.623 1.00 0.18 H HETATM 1191 H85 TYR A 1 -11.252 -0.222 5.482 1.00 0.06 H HETATM 1192 H86 TYR A 1 -11.019 1.142 6.627 1.00 0.06 H HETATM 1193 H84 TYR A 1 -12.350 -0.713 8.181 1.00 0.08 H HETATM 1194 H83 TYR A 1 -9.481 -0.924 8.364 1.00 0.19 H HETATM 1195 CB TYR A 1 -8.989 -0.216 10.996 1.00 -0.00 C HETATM 1196 CG TYR A 1 -7.570 -0.348 11.486 1.00 0.00 C HETATM 1197 CD TYR A 1 -6.677 -1.097 10.518 1.00 0.04 C HETATM 1198 OE1 TYR A 1 -7.194 -1.626 9.513 1.00 -0.57 O HETATM 1199 OE2 TYR A 1 -5.450 -1.150 10.766 1.00 -0.57 O HETATM 1200 H81 TYR A 1 -7.579 -0.888 12.444 1.00 0.04 H HETATM 1201 H82 TYR A 1 -7.156 0.660 11.637 1.00 0.04 H HETATM 1202 H79 TYR A 1 -9.268 -1.146 10.479 1.00 0.03 H HETATM 1203 H80 TYR A 1 -9.646 -0.069 11.866 1.00 0.03 H HETATM 1204 H78 TYR A 1 -8.306 1.043 9.390 1.00 0.08 H HETATM 1205 H77 TYR A 1 -9.674 2.147 11.722 1.00 0.19 H HETATM 1206 CB TYR A 1 -10.733 5.243 10.701 1.00 0.08 C HETATM 1207 CG TYR A 1 -11.515 5.745 11.899 1.00 0.18 C HETATM 1208 OD1 TYR A 1 -12.440 5.086 12.370 1.00 -0.40 O HETATM 1209 ND2 TYR A 1 -11.141 6.909 12.409 1.00 -0.30 N HETATM 1210 H75 TYR A 1 -11.623 7.286 13.200 1.00 0.18 H HETATM 1211 H76 TYR A 1 -10.377 7.410 12.003 1.00 0.18 H HETATM 1212 H73 TYR A 1 -11.352 4.514 10.158 1.00 0.06 H HETATM 1213 H74 TYR A 1 -10.510 6.096 10.044 1.00 0.06 H HETATM 1214 H72 TYR A 1 -9.493 4.227 12.137 1.00 0.08 H HETATM 1215 H71 TYR A 1 -8.328 6.204 10.274 1.00 0.19 H HETATM 1216 CB TYR A 1 -4.888 6.014 11.615 1.00 0.02 C HETATM 1217 CG TYR A 1 -4.113 6.375 10.410 1.00 -0.04 C HETATM 1218 CD1 TYR A 1 -2.839 6.884 10.522 1.00 -0.06 C HETATM 1219 CE1 TYR A 1 -2.104 7.164 9.399 1.00 -0.07 C HETATM 1220 CZ TYR A 1 -2.648 6.941 8.155 1.00 -0.07 C HETATM 1221 CE2 TYR A 1 -3.923 6.442 8.038 1.00 -0.07 C HETATM 1222 CD2 TYR A 1 -4.645 6.156 9.164 1.00 -0.06 C HETATM 1223 H67 TYR A 1 -5.647 5.753 9.071 1.00 0.06 H HETATM 1224 H69 TYR A 1 -4.355 6.276 7.058 1.00 0.06 H HETATM 1225 H70 TYR A 1 -2.069 7.160 7.265 1.00 0.06 H HETATM 1226 H68 TYR A 1 -1.099 7.559 9.491 1.00 0.06 H HETATM 1227 H66 TYR A 1 -2.415 7.064 11.503 1.00 0.06 H HETATM 1228 H64 TYR A 1 -4.982 4.918 11.646 1.00 0.05 H HETATM 1229 H65 TYR A 1 -4.329 6.359 12.497 1.00 0.05 H HETATM 1230 H63 TYR A 1 -6.490 7.156 10.748 1.00 0.08 H HETATM 1231 H62 TYR A 1 -5.434 7.659 13.279 1.00 0.19 H HETATM 1232 CB TYR A 1 -7.811 10.388 14.223 1.00 0.04 C HETATM 1233 CG TYR A 1 -7.085 11.268 13.224 1.00 0.04 C HETATM 1234 OD1 TYR A 1 -6.692 10.770 12.145 1.00 -0.57 O HETATM 1235 OD2 TYR A 1 -6.894 12.461 13.529 1.00 -0.57 O HETATM 1236 H60 TYR A 1 -7.845 10.911 15.190 1.00 0.05 H HETATM 1237 H61 TYR A 1 -8.836 10.220 13.861 1.00 0.05 H HETATM 1238 H59 TYR A 1 -7.595 8.544 15.305 1.00 0.08 H HETATM 1239 H58 TYR A 1 -5.256 10.050 14.499 1.00 0.19 H HETATM 1240 CB TYR A 1 -3.261 9.290 16.608 1.00 0.04 C HETATM 1241 CG TYR A 1 -3.228 10.776 16.283 1.00 0.04 C HETATM 1242 OD1 TYR A 1 -2.343 11.480 16.805 1.00 -0.57 O HETATM 1243 OD2 TYR A 1 -4.072 11.236 15.481 1.00 -0.57 O HETATM 1244 H56 TYR A 1 -2.304 9.010 17.073 1.00 0.05 H HETATM 1245 H57 TYR A 1 -4.081 9.102 17.316 1.00 0.05 H HETATM 1246 H55 TYR A 1 -2.994 7.446 15.541 1.00 0.08 H HETATM 1247 H54 TYR A 1 -3.310 9.748 13.697 1.00 0.19 H HETATM 1248 CB TYR A 1 -0.051 8.481 11.903 1.00 0.04 C HETATM 1249 CG TYR A 1 0.845 9.218 10.924 1.00 0.04 C HETATM 1250 OD1 TYR A 1 1.801 9.893 11.369 1.00 -0.57 O HETATM 1251 OD2 TYR A 1 0.596 9.106 9.707 1.00 -0.57 O HETATM 1252 H52 TYR A 1 -0.607 7.708 11.352 1.00 0.05 H HETATM 1253 H53 TYR A 1 0.584 8.003 12.664 1.00 0.05 H HETATM 1254 H51 TYR A 1 -1.868 9.637 11.914 1.00 0.08 H HETATM 1255 H50 TYR A 1 0.149 10.603 13.871 1.00 0.19 H HETATM 1256 CB TYR A 1 -0.778 14.076 13.129 1.00 -0.00 C HETATM 1257 CG TYR A 1 -0.906 15.036 11.961 1.00 0.00 C HETATM 1258 CD TYR A 1 -2.180 15.857 12.002 1.00 0.04 C HETATM 1259 OE1 TYR A 1 -2.976 15.675 12.943 1.00 -0.57 O HETATM 1260 OE2 TYR A 1 -2.393 16.673 11.073 1.00 -0.57 O HETATM 1261 H48 TYR A 1 -0.894 14.455 11.027 1.00 0.04 H HETATM 1262 H49 TYR A 1 -0.047 15.723 11.976 1.00 0.04 H HETATM 1263 H46 TYR A 1 -0.434 14.643 14.007 1.00 0.03 H HETATM 1264 H47 TYR A 1 -1.770 13.648 13.335 1.00 0.03 H HETATM 1265 H45 TYR A 1 0.677 12.667 13.842 1.00 0.08 H HETATM 1266 H44 TYR A 1 1.026 13.238 10.952 1.00 0.19 H HETATM 1267 CB TYR A 1 2.718 14.839 10.095 1.00 -0.00 C HETATM 1268 CG TYR A 1 3.109 16.305 10.160 1.00 0.00 C HETATM 1269 CD TYR A 1 2.769 17.057 8.893 1.00 0.04 C HETATM 1270 OE1 TYR A 1 1.568 17.239 8.609 1.00 -0.57 O HETATM 1271 OE2 TYR A 1 3.704 17.455 8.170 1.00 -0.57 O HETATM 1272 H42 TYR A 1 4.194 16.373 10.329 1.00 0.04 H HETATM 1273 H43 TYR A 1 2.577 16.774 11.001 1.00 0.04 H HETATM 1274 H40 TYR A 1 1.630 14.759 10.238 1.00 0.03 H HETATM 1275 H41 TYR A 1 2.987 14.447 9.103 1.00 0.03 H HETATM 1276 H39 TYR A 1 4.251 14.579 11.571 1.00 0.08 H HETATM 1277 H38 TYR A 1 3.792 11.899 11.110 1.00 0.19 H HETATM 1278 CB TYR A 1 4.185 10.550 8.280 1.00 0.04 C HETATM 1279 CG TYR A 1 4.632 10.442 6.834 1.00 0.04 C HETATM 1280 OD1 TYR A 1 5.037 11.474 6.247 1.00 -0.57 O HETATM 1281 OD2 TYR A 1 4.618 9.318 6.287 1.00 -0.57 O HETATM 1282 H36 TYR A 1 3.219 11.074 8.318 1.00 0.05 H HETATM 1283 H37 TYR A 1 4.070 9.538 8.696 1.00 0.05 H HETATM 1284 H35 TYR A 1 6.110 11.451 8.512 1.00 0.08 H HETATM 1285 H34 TYR A 1 5.128 9.741 10.572 1.00 0.19 H HETATM 1286 CB TYR A 1 8.310 10.685 12.761 1.00 0.04 C HETATM 1287 CG TYR A 1 8.460 12.011 13.486 1.00 0.04 C HETATM 1288 OD1 TYR A 1 7.963 12.127 14.626 1.00 -0.57 O HETATM 1289 OD2 TYR A 1 9.075 12.938 12.914 1.00 -0.57 O HETATM 1290 H32 TYR A 1 8.896 10.724 11.831 1.00 0.05 H HETATM 1291 H33 TYR A 1 8.700 9.884 13.407 1.00 0.05 H HETATM 1292 H31 TYR A 1 6.205 10.725 13.222 1.00 0.08 H HETATM 1293 H30 TYR A 1 6.992 8.469 11.448 1.00 0.19 H HETATM 1294 CB TYR A 1 4.436 6.306 12.835 1.00 -0.00 C HETATM 1295 CG TYR A 1 3.688 6.951 11.678 1.00 0.00 C HETATM 1296 CD TYR A 1 4.475 6.928 10.382 1.00 0.04 C HETATM 1297 OE1 TYR A 1 5.265 7.864 10.148 1.00 -0.57 O HETATM 1298 OE2 TYR A 1 4.313 5.976 9.591 1.00 -0.57 O HETATM 1299 H28 TYR A 1 3.472 7.997 11.939 1.00 0.04 H HETATM 1300 H29 TYR A 1 2.743 6.409 11.525 1.00 0.04 H HETATM 1301 H26 TYR A 1 3.931 6.584 13.772 1.00 0.03 H HETATM 1302 H27 TYR A 1 4.396 5.214 12.707 1.00 0.03 H HETATM 1303 H25 TYR A 1 6.406 6.489 11.986 1.00 0.08 H HETATM 1304 H24 TYR A 1 6.047 5.759 14.826 1.00 0.19 H HETATM 1305 H22 TYR A 1 7.672 4.181 15.475 1.00 0.08 H HETATM 1306 H23 TYR A 1 9.333 4.406 14.829 1.00 0.08 H HETATM 1307 H21 TYR A 1 9.620 6.232 16.287 1.00 0.19 H HETATM 1308 CB TYR A 1 8.108 6.444 19.568 1.00 -0.01 C HETATM 1309 CG1 TYR A 1 9.108 5.300 19.666 1.00 -0.06 C HETATM 1310 H15 TYR A 1 9.024 4.823 20.654 1.00 0.02 H HETATM 1311 H16 TYR A 1 10.127 5.692 19.534 1.00 0.02 H HETATM 1312 H17 TYR A 1 8.895 4.559 18.882 1.00 0.02 H HETATM 1313 CG2 TYR A 1 8.331 7.450 20.689 1.00 -0.06 C HETATM 1314 H18 TYR A 1 7.599 8.267 20.600 1.00 0.02 H HETATM 1315 H19 TYR A 1 9.349 7.860 20.616 1.00 0.02 H HETATM 1316 H20 TYR A 1 8.206 6.950 21.661 1.00 0.02 H HETATM 1317 H14 TYR A 1 7.096 6.026 19.677 1.00 0.03 H HETATM 1318 H13 TYR A 1 9.243 7.433 18.017 1.00 0.08 H HETATM 1319 H12 TYR A 1 6.805 8.574 18.938 1.00 0.19 H HETATM 1320 CB TYR A 1 5.154 10.049 17.944 1.00 0.04 C HETATM 1321 CG TYR A 1 4.156 9.152 17.233 1.00 -0.05 C HETATM 1322 CD1 TYR A 1 4.251 7.770 17.322 1.00 -0.07 C HETATM 1323 CE1 TYR A 1 3.339 6.948 16.690 1.00 -0.04 C HETATM 1324 CZ TYR A 1 2.315 7.502 15.953 1.00 0.08 C HETATM 1325 CE2 TYR A 1 2.196 8.872 15.848 1.00 -0.04 C HETATM 1326 CD2 TYR A 1 3.113 9.690 16.486 1.00 -0.07 C HETATM 1327 H8 TYR A 1 3.017 10.767 16.402 1.00 0.05 H HETATM 1328 H10 TYR A 1 1.389 9.306 15.269 1.00 0.05 H HETATM 1329 OH TYR A 1 1.405 6.681 15.330 1.00 -0.34 O HETATM 1330 H11 TYR A 1 0.535 6.862 15.666 1.00 0.25 H HETATM 1331 H9 TYR A 1 3.428 5.871 16.773 1.00 0.05 H HETATM 1332 H7 TYR A 1 5.056 7.328 17.898 1.00 0.05 H HETATM 1333 H5 TYR A 1 4.655 11.002 18.172 1.00 0.05 H HETATM 1334 H6 TYR A 1 5.449 9.556 18.882 1.00 0.05 H HETATM 1335 H4 TYR A 1 6.976 11.162 17.660 1.00 0.11 H HETATM 1336 H1 TYR A 1 5.493 11.629 15.843 1.00 0.20 H HETATM 1337 H2 TYR A 1 5.617 10.085 15.286 1.00 0.20 H HETATM 1338 H3 TYR A 1 6.938 11.066 15.291 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1073 1074 1336 1337 1338 CONECT 1074 1073 1075 1320 1335 CONECT 1075 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 1078 1319 CONECT 1078 1077 1079 1308 1318 CONECT 1079 1078 1080 1081 CONECT 1080 1079 CONECT 1081 1079 1082 1307 CONECT 1082 1081 1083 1305 1306 CONECT 1083 1082 1084 1085 CONECT 1084 1083 CONECT 1085 1083 1086 1304 CONECT 1086 1085 1087 1294 1303 CONECT 1087 1086 1088 1089 CONECT 1088 1087 CONECT 1089 1087 1090 1293 CONECT 1090 1089 1091 1286 1292 CONECT 1091 1090 1092 1093 CONECT 1092 1091 CONECT 1093 1091 1094 1285 CONECT 1094 1093 1095 1278 1284 CONECT 1095 1094 1096 1097 CONECT 1096 1095 CONECT 1097 1095 1098 1277 CONECT 1098 1097 1099 1267 1276 CONECT 1099 1098 1100 1101 CONECT 1100 1099 CONECT 1101 1099 1102 1266 CONECT 1102 1101 1103 1256 1265 CONECT 1103 1102 1104 1105 CONECT 1104 1103 CONECT 1105 1103 1106 1255 CONECT 1106 1105 1107 1248 1254 CONECT 1107 1106 1108 1109 CONECT 1108 1107 CONECT 1109 1107 1110 1247 CONECT 1110 1109 1111 1240 1246 CONECT 1111 1110 1112 1113 CONECT 1112 1111 CONECT 1113 1111 1114 1239 CONECT 1114 1113 1115 1232 1238 CONECT 1115 1114 1116 1117 CONECT 1116 1115 CONECT 1117 1115 1118 1231 CONECT 1118 1117 1119 1216 1230 CONECT 1119 1118 1120 1121 CONECT 1120 1119 CONECT 1121 1119 1122 1215 CONECT 1122 1121 1123 1206 1214 CONECT 1123 1122 1124 1125 CONECT 1124 1123 CONECT 1125 1123 1126 1205 CONECT 1126 1125 1127 1195 1204 CONECT 1127 1126 1128 1129 CONECT 1128 1127 CONECT 1129 1127 1130 1194 CONECT 1130 1129 1131 1185 1193 CONECT 1131 1130 1132 1133 CONECT 1132 1131 CONECT 1133 1131 1134 1184 CONECT 1134 1133 1135 1177 1183 CONECT 1135 1134 1136 1137 CONECT 1136 1135 CONECT 1137 1135 1138 1176 CONECT 1138 1137 1139 1166 1175 CONECT 1139 1138 1140 1141 CONECT 1140 1139 CONECT 1141 1139 1142 1165 CONECT 1142 1141 1143 1158 1164 CONECT 1143 1142 1144 1145 CONECT 1144 1143 CONECT 1145 1143 1146 1157 CONECT 1146 1145 1147 1150 1156 CONECT 1147 1146 1148 1149 CONECT 1148 1147 CONECT 1149 1147 CONECT 1150 1146 1151 1154 1155 CONECT 1151 1150 1152 1153 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1150 CONECT 1155 1150 CONECT 1156 1146 CONECT 1157 1145 CONECT 1158 1142 1159 1162 1163 CONECT 1159 1158 1160 1161 CONECT 1160 1159 CONECT 1161 1159 CONECT 1162 1158 CONECT 1163 1158 CONECT 1164 1142 CONECT 1165 1141 CONECT 1166 1138 1167 1173 1174 CONECT 1167 1166 1168 1171 1172 CONECT 1168 1167 1169 1170 CONECT 1169 1168 CONECT 1170 1168 CONECT 1171 1167 CONECT 1172 1167 CONECT 1173 1166 CONECT 1174 1166 CONECT 1175 1138 CONECT 1176 1137 CONECT 1177 1134 1178 1181 1182 CONECT 1178 1177 1179 1180 CONECT 1179 1178 CONECT 1180 1178 CONECT 1181 1177 CONECT 1182 1177 CONECT 1183 1134 CONECT 1184 1133 CONECT 1185 1130 1186 1191 1192 CONECT 1186 1185 1187 1188 CONECT 1187 1186 CONECT 1188 1186 1189 1190 CONECT 1189 1188 CONECT 1190 1188 CONECT 1191 1185 CONECT 1192 1185 CONECT 1193 1130 CONECT 1194 1129 CONECT 1195 1126 1196 1202 1203 CONECT 1196 1195 1197 1200 1201 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 CONECT 1200 1196 CONECT 1201 1196 CONECT 1202 1195 CONECT 1203 1195 CONECT 1204 1126 CONECT 1205 1125 CONECT 1206 1122 1207 1212 1213 CONECT 1207 1206 1208 1209 CONECT 1208 1207 CONECT 1209 1207 1210 1211 CONECT 1210 1209 CONECT 1211 1209 CONECT 1212 1206 CONECT 1213 1206 CONECT 1214 1122 CONECT 1215 1121 CONECT 1216 1118 1217 1228 1229 CONECT 1217 1216 1218 1222 CONECT 1218 1217 1219 1227 CONECT 1219 1218 1220 1226 CONECT 1220 1219 1221 1225 CONECT 1221 1220 1222 1224 CONECT 1222 1217 1221 1223 CONECT 1223 1222 CONECT 1224 1221 CONECT 1225 1220 CONECT 1226 1219 CONECT 1227 1218 CONECT 1228 1216 CONECT 1229 1216 CONECT 1230 1118 CONECT 1231 1117 CONECT 1232 1114 1233 1236 1237 CONECT 1233 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 CONECT 1236 1232 CONECT 1237 1232 CONECT 1238 1114 CONECT 1239 1113 CONECT 1240 1110 1241 1244 1245 CONECT 1241 1240 1242 1243 CONECT 1242 1241 CONECT 1243 1241 CONECT 1244 1240 CONECT 1245 1240 CONECT 1246 1110 CONECT 1247 1109 CONECT 1248 1106 1249 1252 1253 CONECT 1249 1248 1250 1251 CONECT 1250 1249 CONECT 1251 1249 CONECT 1252 1248 CONECT 1253 1248 CONECT 1254 1106 CONECT 1255 1105 CONECT 1256 1102 1257 1263 1264 CONECT 1257 1256 1258 1261 1262 CONECT 1258 1257 1259 1260 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1257 CONECT 1262 1257 CONECT 1263 1256 CONECT 1264 1256 CONECT 1265 1102 CONECT 1266 1101 CONECT 1267 1098 1268 1274 1275 CONECT 1268 1267 1269 1272 1273 CONECT 1269 1268 1270 1271 CONECT 1270 1269 CONECT 1271 1269 CONECT 1272 1268 CONECT 1273 1268 CONECT 1274 1267 CONECT 1275 1267 CONECT 1276 1098 CONECT 1277 1097 CONECT 1278 1094 1279 1282 1283 CONECT 1279 1278 1280 1281 CONECT 1280 1279 CONECT 1281 1279 CONECT 1282 1278 CONECT 1283 1278 CONECT 1284 1094 CONECT 1285 1093 CONECT 1286 1090 1287 1290 1291 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1286 CONECT 1291 1286 CONECT 1292 1090 CONECT 1293 1089 CONECT 1294 1086 1295 1301 1302 CONECT 1295 1294 1296 1299 1300 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 CONECT 1299 1295 CONECT 1300 1295 CONECT 1301 1294 CONECT 1302 1294 CONECT 1303 1086 CONECT 1304 1085 CONECT 1305 1082 CONECT 1306 1082 CONECT 1307 1081 CONECT 1308 1078 1309 1313 1317 CONECT 1309 1308 1310 1311 1312 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1309 CONECT 1313 1308 1314 1315 1316 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1313 CONECT 1317 1308 CONECT 1318 1078 CONECT 1319 1077 CONECT 1320 1074 1321 1333 1334 CONECT 1321 1320 1322 1326 CONECT 1322 1321 1323 1332 CONECT 1323 1322 1324 1331 CONECT 1324 1323 1325 1329 CONECT 1325 1324 1326 1328 CONECT 1326 1321 1325 1327 CONECT 1327 1326 CONECT 1328 1325 CONECT 1329 1324 1330 CONECT 1330 1329 CONECT 1331 1323 CONECT 1332 1322 CONECT 1333 1320 CONECT 1334 1320 CONECT 1335 1074 CONECT 1336 1073 CONECT 1337 1073 CONECT 1338 1073 MASTER 0 0 0 0 0 0 0 0 1337 1 270 9 END
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Entry Information
PDB ID
5gow
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
General transcription factor IIH subunit 1 (TFIIH p62 PH domain)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=35.3uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Mol. Biol. Vol. 428: pp. 4993-5006
Ligand Properties
Formula
C
9
0
H
1
2
0
N
2
1
O
4
9
Molecular Weight
2280.030
Exact Mass
2278.750
No. of atoms
280
No. of bonds
281
Polar Surface Area
1180.05
LOGP Value
2.92 (
Computed with XLOGP3
)
-6.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 49
No. of Rotatable Bonds: 82
No. of Nitrogen and Oxygen Atoms: 70
No. of Rings: 2
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)N)CCC(=O)O)CC(=O)N)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O
InChI String
InChI=1S/C90H119N21O49/c1-35(2)72(111-73(142)39(91)22-37-8-10-38(112)11-9-37)89(158)94-34-58(115)95-40(12-17-59(116)117)74(143)103-50(28-66(130)131)85(154)107-49(27-65(128)129)83(152)98-41(13-18-60(118)119)75(144)96-42(14-19-61(120)121)77(146)104-51(29-67(132)133)86(155)109-53(31-69(136)137)87(156)108-52(30-68(134)135)84(153)100-45(23-36-6-4-3-5-7-36)79(148)102-46(24-56(92)113)80(149)97-43(15-20-62(122)123)76(145)101-47(25-57(93)114)81(150)106-48(26-64(126)127)82(151)99-44(16-21-63(124)125)78(147)105-54(32-70(138)139)88(157)110-55(90(159)160)33-71(140)141/h3-11,35,39-55,72,112H,12-34,91H2,1-2H3,(H2,92,113)(H2,93,114)(H,94,158)(H,95,115)(H,96,144)(H,97,149)(H,98,152)(H,99,151)(H,100,153)(H,101,145)(H,102,148)(H,103,143)(H,104,146)(H,105,147)(H,106,150)(H,107,154)(H,108,156)(H,109,155)(H,110,157)(H,111,142)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,159,160)/p+1/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,72-/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
Q14186
P32780
Entrez Gene ID
NCBI Entrez Gene ID:
7027
2965
ASD
Information of known allosteric effects of PDB entries
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