Browse entries in the PDBbind-CN Database
HEADER 3LK1_COMPLEX COMPND 3LK1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 88 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 88 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 88 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 88 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 88 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 88 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 88 ALA MET ILE THR THR ALA CYS HIS GLU PHE SEQRES 1 B 88 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 B 88 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 B 88 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 B 88 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 B 88 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 B 88 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 B 88 ALA MET ILE THR THR ALA CYS HIS GLU PHE HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET JKE A 273 15 ATOM 1 N MET A 0 5.829 -6.993 6.954 1.00 54.62 N ATOM 2 CA MET A 0 6.936 -7.654 6.186 1.00 53.89 C ATOM 3 C MET A 0 6.614 -7.909 4.716 1.00 53.12 C ATOM 4 O MET A 0 7.470 -7.675 3.856 1.00 53.83 O ATOM 5 CB MET A 0 7.402 -8.957 6.880 1.00 54.49 C ATOM 6 HA MET A 0 7.755 -6.935 6.190 1.00 0.00 H ATOM 7 HB2 MET A 0 7.765 -8.724 7.881 1.00 0.00 H ATOM 8 HB3 MET A 0 6.564 -9.651 6.948 1.00 0.00 H ATOM 9 HN3 MET A 0 4.982 -7.596 6.927 1.00 0.00 H ATOM 10 HN2 MET A 0 5.613 -6.071 6.524 1.00 0.00 H ATOM 11 HN1 MET A 0 6.127 -6.856 7.941 1.00 0.00 H ATOM 12 N SER A 1 5.410 -8.399 4.412 1.00 55.43 N ATOM 13 CA SER A 1 5.038 -8.634 3.012 1.00 52.24 C ATOM 14 C SER A 1 4.772 -7.302 2.324 1.00 50.24 C ATOM 15 O SER A 1 4.488 -6.303 2.993 1.00 47.74 O ATOM 16 CB SER A 1 3.819 -9.552 2.903 1.00 48.62 C ATOM 17 OG SER A 1 2.599 -8.816 2.881 1.00 42.63 O ATOM 18 HA SER A 1 5.867 -9.136 2.514 1.00 0.00 H ATOM 19 HB2 SER A 1 3.808 -10.227 3.759 1.00 0.00 H ATOM 20 HB3 SER A 1 3.897 -10.133 1.984 1.00 0.00 H ATOM 21 HG SER A 1 1.837 -9.444 2.810 1.00 0.00 H ATOM 22 H SER A 1 4.733 -8.615 5.171 1.00 0.00 H ATOM 23 N GLU A 2 4.836 -7.274 0.997 1.00 53.19 N ATOM 24 CA GLU A 2 4.566 -6.022 0.273 1.00 54.20 C ATOM 25 C GLU A 2 3.123 -5.527 0.459 1.00 48.03 C ATOM 26 O GLU A 2 2.887 -4.315 0.487 1.00 47.84 O ATOM 27 CB GLU A 2 4.943 -6.140 -1.207 1.00 63.24 C ATOM 28 CG GLU A 2 6.437 -6.354 -1.446 1.00 75.50 C ATOM 29 CD GLU A 2 7.294 -5.163 -1.026 1.00 82.51 C ATOM 30 OE1 GLU A 2 6.872 -4.007 -1.240 1.00 82.14 O ATOM 31 OE2 GLU A 2 8.405 -5.384 -0.495 1.00 91.37 O ATOM 32 HA GLU A 2 5.207 -5.260 0.717 1.00 0.00 H ATOM 33 HB2 GLU A 2 4.402 -6.984 -1.634 1.00 0.00 H ATOM 34 HB3 GLU A 2 4.641 -5.223 -1.713 1.00 0.00 H ATOM 35 HG2 GLU A 2 6.757 -7.228 -0.878 1.00 0.00 H ATOM 36 HG3 GLU A 2 6.595 -6.536 -2.509 1.00 0.00 H ATOM 37 H GLU A 2 5.077 -8.138 0.470 1.00 0.00 H ATOM 38 N LEU A 3 2.178 -6.461 0.614 1.00 45.06 N ATOM 39 CA LEU A 3 0.784 -6.129 0.948 1.00 43.22 C ATOM 40 C LEU A 3 0.684 -5.516 2.345 1.00 40.89 C ATOM 41 O LEU A 3 -0.012 -4.523 2.552 1.00 41.96 O ATOM 42 CB LEU A 3 -0.107 -7.379 0.891 1.00 45.30 C ATOM 43 CG LEU A 3 -1.518 -7.434 0.298 1.00 52.00 C ATOM 44 CD1 LEU A 3 -2.272 -8.663 0.797 1.00 53.87 C ATOM 45 CD2 LEU A 3 -2.377 -6.154 0.454 1.00 53.97 C ATOM 46 HA LEU A 3 0.441 -5.404 0.210 1.00 0.00 H ATOM 47 HB2 LEU A 3 0.469 -8.120 0.336 1.00 0.00 H ATOM 48 HB3 LEU A 3 -0.215 -7.705 1.926 1.00 0.00 H ATOM 49 HG LEU A 3 -1.350 -7.509 -0.776 1.00 0.00 H ATOM 50 HD21 LEU A 3 -2.504 -5.930 1.513 1.00 0.00 H ATOM 51 HD22 LEU A 3 -1.876 -5.320 -0.037 1.00 0.00 H ATOM 52 HD23 LEU A 3 -3.353 -6.315 -0.004 1.00 0.00 H ATOM 53 HD11 LEU A 3 -1.733 -9.563 0.502 1.00 0.00 H ATOM 54 HD12 LEU A 3 -2.350 -8.624 1.884 1.00 0.00 H ATOM 55 HD13 LEU A 3 -3.271 -8.677 0.360 1.00 0.00 H ATOM 56 H LEU A 3 2.439 -7.461 0.494 1.00 0.00 H ATOM 57 N GLU A 4 1.367 -6.114 3.315 1.00 40.03 N ATOM 58 CA GLU A 4 1.337 -5.604 4.688 1.00 41.15 C ATOM 59 C GLU A 4 1.967 -4.216 4.797 1.00 42.90 C ATOM 60 O GLU A 4 1.476 -3.365 5.545 1.00 45.25 O ATOM 61 CB GLU A 4 1.992 -6.605 5.640 1.00 43.47 C ATOM 62 CG GLU A 4 1.138 -7.857 5.805 1.00 44.13 C ATOM 63 CD GLU A 4 1.845 -9.008 6.497 1.00 47.58 C ATOM 64 OE1 GLU A 4 3.053 -9.218 6.264 1.00 48.18 O ATOM 65 OE2 GLU A 4 1.171 -9.719 7.270 1.00 50.81 O ATOM 66 HA GLU A 4 0.294 -5.489 4.983 1.00 0.00 H ATOM 67 HB2 GLU A 4 2.966 -6.890 5.241 1.00 0.00 H ATOM 68 HB3 GLU A 4 2.124 -6.134 6.614 1.00 0.00 H ATOM 69 HG2 GLU A 4 0.257 -7.595 6.391 1.00 0.00 H ATOM 70 HG3 GLU A 4 0.828 -8.192 4.815 1.00 0.00 H ATOM 71 H GLU A 4 1.933 -6.959 3.096 1.00 0.00 H ATOM 72 N LYS A 5 3.035 -3.985 4.034 1.00 43.45 N ATOM 73 CA LYS A 5 3.632 -2.649 3.931 1.00 47.37 C ATOM 74 C LYS A 5 2.666 -1.618 3.341 1.00 45.92 C ATOM 75 O LYS A 5 2.687 -0.455 3.733 1.00 49.36 O ATOM 76 CB LYS A 5 4.909 -2.683 3.093 1.00 52.94 C ATOM 77 CG LYS A 5 6.086 -3.356 3.767 1.00 60.06 C ATOM 78 CD LYS A 5 7.267 -3.381 2.818 1.00 71.83 C ATOM 79 CE LYS A 5 8.253 -4.480 3.170 1.00 79.94 C ATOM 80 HA LYS A 5 3.870 -2.343 4.950 1.00 0.00 H ATOM 81 HB2 LYS A 5 4.695 -3.218 2.168 1.00 0.00 H ATOM 82 HB3 LYS A 5 5.191 -1.656 2.861 1.00 0.00 H ATOM 83 HG2 LYS A 5 6.355 -2.803 4.667 1.00 0.00 H ATOM 84 HG3 LYS A 5 5.815 -4.377 4.037 1.00 0.00 H ATOM 85 HD2 LYS A 5 6.902 -3.546 1.804 1.00 0.00 H ATOM 86 HD3 LYS A 5 7.778 -2.420 2.866 1.00 0.00 H ATOM 87 HE2 LYS A 5 8.629 -4.319 4.180 1.00 0.00 H ATOM 88 HE3 LYS A 5 7.752 -5.447 3.118 1.00 0.00 H ATOM 89 H LYS A 5 3.455 -4.771 3.498 1.00 0.00 H ATOM 90 N ALA A 6 1.831 -2.044 2.397 1.00 45.81 N ATOM 91 CA ALA A 6 0.822 -1.165 1.790 1.00 45.33 C ATOM 92 C ALA A 6 -0.284 -0.823 2.769 1.00 43.12 C ATOM 93 O ALA A 6 -0.738 0.322 2.818 1.00 43.42 O ATOM 94 CB ALA A 6 0.232 -1.812 0.544 1.00 47.19 C ATOM 95 HA ALA A 6 1.322 -0.238 1.510 1.00 0.00 H ATOM 96 HB1 ALA A 6 1.026 -1.994 -0.180 1.00 0.00 H ATOM 97 HB2 ALA A 6 -0.238 -2.758 0.815 1.00 0.00 H ATOM 98 HB3 ALA A 6 -0.513 -1.146 0.109 1.00 0.00 H ATOM 99 H ALA A 6 1.894 -3.032 2.078 1.00 0.00 H ATOM 100 N VAL A 7 -0.716 -1.821 3.544 1.00 43.25 N ATOM 101 CA VAL A 7 -1.752 -1.618 4.547 1.00 43.06 C ATOM 102 C VAL A 7 -1.308 -0.570 5.568 1.00 43.85 C ATOM 103 O VAL A 7 -2.054 0.369 5.855 1.00 43.35 O ATOM 104 CB VAL A 7 -2.152 -2.934 5.230 1.00 46.00 C ATOM 105 CG1 VAL A 7 -3.021 -2.657 6.448 1.00 49.15 C ATOM 106 CG2 VAL A 7 -2.889 -3.852 4.232 1.00 45.90 C ATOM 107 HA VAL A 7 -2.641 -1.245 4.039 1.00 0.00 H ATOM 108 HB VAL A 7 -1.248 -3.443 5.564 1.00 0.00 H ATOM 109 HG11 VAL A 7 -2.466 -2.043 7.157 1.00 0.00 H ATOM 110 HG12 VAL A 7 -3.923 -2.129 6.137 1.00 0.00 H ATOM 111 HG13 VAL A 7 -3.295 -3.601 6.919 1.00 0.00 H ATOM 112 HG21 VAL A 7 -3.787 -3.349 3.873 1.00 0.00 H ATOM 113 HG22 VAL A 7 -2.233 -4.072 3.390 1.00 0.00 H ATOM 114 HG23 VAL A 7 -3.166 -4.781 4.731 1.00 0.00 H ATOM 115 H VAL A 7 -0.302 -2.768 3.428 1.00 0.00 H ATOM 116 N VAL A 8 -0.092 -0.712 6.094 1.00 45.33 N ATOM 117 CA VAL A 8 0.441 0.275 7.044 1.00 47.90 C ATOM 118 C VAL A 8 0.662 1.669 6.428 1.00 46.36 C ATOM 119 O VAL A 8 0.432 2.681 7.091 1.00 47.62 O ATOM 120 CB VAL A 8 1.710 -0.227 7.779 1.00 53.89 C ATOM 121 CG1 VAL A 8 1.480 -1.620 8.416 1.00 56.07 C ATOM 122 CG2 VAL A 8 2.905 -0.258 6.856 1.00 57.05 C ATOM 123 HA VAL A 8 -0.343 0.393 7.792 1.00 0.00 H ATOM 124 HB VAL A 8 1.919 0.482 8.580 1.00 0.00 H ATOM 125 HG11 VAL A 8 0.664 -1.559 9.136 1.00 0.00 H ATOM 126 HG12 VAL A 8 1.225 -2.337 7.636 1.00 0.00 H ATOM 127 HG13 VAL A 8 2.390 -1.941 8.923 1.00 0.00 H ATOM 128 HG21 VAL A 8 2.700 -0.928 6.021 1.00 0.00 H ATOM 129 HG22 VAL A 8 3.097 0.746 6.479 1.00 0.00 H ATOM 130 HG23 VAL A 8 3.777 -0.615 7.404 1.00 0.00 H ATOM 131 H VAL A 8 0.488 -1.533 5.829 1.00 0.00 H ATOM 132 N ALA A 9 1.111 1.722 5.176 1.00 44.66 N ATOM 133 CA ALA A 9 1.279 3.001 4.469 1.00 45.12 C ATOM 134 C ALA A 9 -0.040 3.756 4.292 1.00 42.25 C ATOM 135 O ALA A 9 -0.077 4.978 4.438 1.00 42.12 O ATOM 136 CB ALA A 9 1.957 2.800 3.124 1.00 47.35 C ATOM 137 HA ALA A 9 1.921 3.617 5.099 1.00 0.00 H ATOM 138 HB1 ALA A 9 2.940 2.355 3.277 1.00 0.00 H ATOM 139 HB2 ALA A 9 1.349 2.138 2.507 1.00 0.00 H ATOM 140 HB3 ALA A 9 2.067 3.763 2.626 1.00 0.00 H ATOM 141 H ALA A 9 1.349 0.837 4.685 1.00 0.00 H ATOM 142 N LEU A 10 -1.113 3.037 3.971 1.00 40.44 N ATOM 143 CA LEU A 10 -2.442 3.661 3.886 1.00 40.61 C ATOM 144 C LEU A 10 -2.835 4.310 5.235 1.00 40.90 C ATOM 145 O LEU A 10 -3.266 5.477 5.276 1.00 41.46 O ATOM 146 CB LEU A 10 -3.498 2.654 3.405 1.00 41.88 C ATOM 147 CG LEU A 10 -3.426 2.089 1.978 1.00 44.56 C ATOM 148 CD1 LEU A 10 -4.271 0.809 1.837 1.00 46.58 C ATOM 149 CD2 LEU A 10 -3.832 3.088 0.904 1.00 48.74 C ATOM 150 HA LEU A 10 -2.397 4.457 3.143 1.00 0.00 H ATOM 151 HB2 LEU A 10 -3.453 1.802 4.084 1.00 0.00 H ATOM 152 HB3 LEU A 10 -4.467 3.143 3.502 1.00 0.00 H ATOM 153 HG LEU A 10 -2.374 1.853 1.818 1.00 0.00 H ATOM 154 HD21 LEU A 10 -4.860 3.407 1.076 1.00 0.00 H ATOM 155 HD22 LEU A 10 -3.170 3.953 0.945 1.00 0.00 H ATOM 156 HD23 LEU A 10 -3.756 2.617 -0.076 1.00 0.00 H ATOM 157 HD11 LEU A 10 -3.900 0.052 2.528 1.00 0.00 H ATOM 158 HD12 LEU A 10 -5.312 1.035 2.068 1.00 0.00 H ATOM 159 HD13 LEU A 10 -4.197 0.437 0.815 1.00 0.00 H ATOM 160 H LEU A 10 -1.010 2.020 3.778 1.00 0.00 H ATOM 161 N ILE A 11 -2.636 3.577 6.333 1.00 41.28 N ATOM 162 CA ILE A 11 -2.929 4.080 7.682 1.00 43.21 C ATOM 163 C ILE A 11 -2.043 5.294 8.010 1.00 43.37 C ATOM 164 O ILE A 11 -2.535 6.340 8.445 1.00 43.74 O ATOM 165 CB ILE A 11 -2.768 2.957 8.758 1.00 47.59 C ATOM 166 CG1 ILE A 11 -3.760 1.815 8.494 1.00 47.29 C ATOM 167 CG2 ILE A 11 -2.927 3.520 10.183 1.00 51.99 C ATOM 168 CD1 ILE A 11 -3.539 0.600 9.352 1.00 54.28 C ATOM 169 HA ILE A 11 -3.970 4.402 7.702 1.00 0.00 H ATOM 170 HB ILE A 11 -1.758 2.554 8.681 1.00 0.00 H ATOM 171 HG12 ILE A 11 -4.768 2.187 8.679 1.00 0.00 H ATOM 172 HG13 ILE A 11 -3.670 1.518 7.449 1.00 0.00 H ATOM 173 HD11 ILE A 11 -2.539 0.206 9.171 1.00 0.00 H ATOM 174 HD12 ILE A 11 -3.638 0.875 10.402 1.00 0.00 H ATOM 175 HD13 ILE A 11 -4.281 -0.159 9.103 1.00 0.00 H ATOM 176 HG21 ILE A 11 -2.167 4.281 10.359 1.00 0.00 H ATOM 177 HG22 ILE A 11 -3.917 3.963 10.289 1.00 0.00 H ATOM 178 HG23 ILE A 11 -2.809 2.713 10.906 1.00 0.00 H ATOM 179 H ILE A 11 -2.259 2.613 6.229 1.00 0.00 H ATOM 180 N ASP A 12 -0.746 5.147 7.758 1.00 45.14 N ATOM 181 CA ASP A 12 0.258 6.173 8.044 1.00 48.18 C ATOM 182 C ASP A 12 -0.059 7.485 7.320 1.00 45.82 C ATOM 183 O ASP A 12 -0.092 8.555 7.943 1.00 46.51 O ATOM 184 CB ASP A 12 1.648 5.647 7.647 1.00 52.34 C ATOM 185 CG ASP A 12 2.781 6.546 8.102 1.00 61.73 C ATOM 186 OD1 ASP A 12 2.611 7.308 9.079 1.00 65.21 O ATOM 187 OD2 ASP A 12 3.868 6.470 7.488 1.00 69.43 O ATOM 188 HA ASP A 12 0.246 6.388 9.113 1.00 0.00 H ATOM 189 HB2 ASP A 12 1.786 4.662 8.094 1.00 0.00 H ATOM 190 HB3 ASP A 12 1.689 5.561 6.561 1.00 0.00 H ATOM 191 H ASP A 12 -0.427 4.253 7.334 1.00 0.00 H ATOM 192 N VAL A 13 -0.305 7.416 6.014 1.00 43.35 N ATOM 193 CA VAL A 13 -0.462 8.654 5.243 1.00 44.29 C ATOM 194 C VAL A 13 -1.789 9.339 5.548 1.00 41.43 C ATOM 195 O VAL A 13 -1.834 10.555 5.660 1.00 42.05 O ATOM 196 CB VAL A 13 -0.278 8.459 3.729 1.00 46.18 C ATOM 197 CG1 VAL A 13 -0.403 9.794 3.001 1.00 48.28 C ATOM 198 CG2 VAL A 13 1.081 7.829 3.447 1.00 52.07 C ATOM 199 HA VAL A 13 0.347 9.309 5.568 1.00 0.00 H ATOM 200 HB VAL A 13 -1.059 7.793 3.364 1.00 0.00 H ATOM 201 HG11 VAL A 13 -1.390 10.217 3.187 1.00 0.00 H ATOM 202 HG12 VAL A 13 0.362 10.479 3.367 1.00 0.00 H ATOM 203 HG13 VAL A 13 -0.270 9.637 1.931 1.00 0.00 H ATOM 204 HG21 VAL A 13 1.868 8.482 3.824 1.00 0.00 H ATOM 205 HG22 VAL A 13 1.141 6.861 3.944 1.00 0.00 H ATOM 206 HG23 VAL A 13 1.202 7.695 2.372 1.00 0.00 H ATOM 207 H VAL A 13 -0.385 6.492 5.544 1.00 0.00 H ATOM 208 N PHE A 14 -2.858 8.566 5.715 1.00 40.33 N ATOM 209 CA PHE A 14 -4.127 9.167 6.128 1.00 40.17 C ATOM 210 C PHE A 14 -3.950 10.032 7.381 1.00 40.59 C ATOM 211 O PHE A 14 -4.337 11.205 7.400 1.00 39.07 O ATOM 212 CB PHE A 14 -5.210 8.120 6.388 1.00 41.37 C ATOM 213 CG PHE A 14 -6.500 8.719 6.894 1.00 44.68 C ATOM 214 CD1 PHE A 14 -7.434 9.244 6.002 1.00 46.18 C ATOM 215 CD2 PHE A 14 -6.776 8.769 8.265 1.00 45.19 C ATOM 216 CE1 PHE A 14 -8.625 9.797 6.456 1.00 49.50 C ATOM 217 CE2 PHE A 14 -7.960 9.330 8.733 1.00 50.39 C ATOM 218 CZ PHE A 14 -8.885 9.853 7.825 1.00 53.06 C ATOM 219 HA PHE A 14 -4.450 9.793 5.296 1.00 0.00 H ATOM 220 HB2 PHE A 14 -5.414 7.592 5.457 1.00 0.00 H ATOM 221 HB3 PHE A 14 -4.840 7.414 7.131 1.00 0.00 H ATOM 222 HD2 PHE A 14 -6.055 8.364 8.975 1.00 0.00 H ATOM 223 HE2 PHE A 14 -8.165 9.362 9.803 1.00 0.00 H ATOM 224 HZ PHE A 14 -9.809 10.304 8.187 1.00 0.00 H ATOM 225 HE1 PHE A 14 -9.354 10.186 5.745 1.00 0.00 H ATOM 226 HD1 PHE A 14 -7.227 9.220 4.932 1.00 0.00 H ATOM 227 H PHE A 14 -2.793 7.541 5.553 1.00 0.00 H ATOM 228 N HIS A 15 -3.371 9.437 8.424 1.00 42.31 N ATOM 229 CA HIS A 15 -3.237 10.107 9.708 1.00 45.30 C ATOM 230 C HIS A 15 -2.224 11.249 9.725 1.00 46.11 C ATOM 231 O HIS A 15 -2.326 12.156 10.552 1.00 47.80 O ATOM 232 CB HIS A 15 -2.946 9.080 10.817 1.00 50.51 C ATOM 233 CG HIS A 15 -4.106 8.184 11.101 1.00 53.44 C ATOM 234 ND1 HIS A 15 -4.328 7.015 10.404 1.00 54.10 N ATOM 235 CD2 HIS A 15 -5.143 8.313 11.959 1.00 59.61 C ATOM 236 CE1 HIS A 15 -5.434 6.444 10.846 1.00 58.45 C ATOM 237 NE2 HIS A 15 -5.947 7.212 11.791 1.00 63.77 N ATOM 238 HA HIS A 15 -4.197 10.586 9.899 1.00 0.00 H ATOM 239 HB2 HIS A 15 -2.100 8.466 10.509 1.00 0.00 H ATOM 240 HB3 HIS A 15 -2.690 9.617 11.730 1.00 0.00 H ATOM 241 HD2 HIS A 15 -5.310 9.136 12.654 1.00 0.00 H ATOM 242 HE1 HIS A 15 -5.852 5.501 10.492 1.00 0.00 H ATOM 243 H HIS A 15 -3.006 8.469 8.317 1.00 0.00 H ATOM 244 N GLN A 16 -1.250 11.208 8.821 1.00 46.16 N ATOM 245 CA GLN A 16 -0.288 12.293 8.692 1.00 49.75 C ATOM 246 C GLN A 16 -1.022 13.568 8.293 1.00 46.89 C ATOM 247 O GLN A 16 -0.622 14.665 8.650 1.00 48.58 O ATOM 248 CB GLN A 16 0.768 11.949 7.640 1.00 52.67 C ATOM 249 CG GLN A 16 1.914 11.101 8.178 1.00 59.57 C ATOM 250 CD GLN A 16 2.883 10.634 7.098 1.00 64.11 C ATOM 251 OE1 GLN A 16 2.853 11.110 5.958 1.00 67.50 O ATOM 252 NE2 GLN A 16 3.748 9.690 7.458 1.00 70.39 N ATOM 253 HA GLN A 16 0.214 12.442 9.648 1.00 0.00 H ATOM 254 HB2 GLN A 16 0.284 11.401 6.832 1.00 0.00 H ATOM 255 HB3 GLN A 16 1.181 12.879 7.250 1.00 0.00 H ATOM 256 HG2 GLN A 16 2.468 11.692 8.907 1.00 0.00 H ATOM 257 HG3 GLN A 16 1.493 10.223 8.668 1.00 0.00 H ATOM 258 HE22 GLN A 16 3.737 9.318 8.429 1.00 0.00 H ATOM 259 HE21 GLN A 16 4.435 9.324 6.768 1.00 0.00 H ATOM 260 H GLN A 16 -1.174 10.383 8.192 1.00 0.00 H ATOM 261 N TYR A 17 -2.096 13.392 7.529 1.00 40.06 N ATOM 262 CA TYR A 17 -2.888 14.503 7.018 1.00 37.87 C ATOM 263 C TYR A 17 -4.091 14.783 7.900 1.00 38.51 C ATOM 264 O TYR A 17 -4.367 15.944 8.210 1.00 39.66 O ATOM 265 CB TYR A 17 -3.283 14.234 5.564 1.00 35.34 C ATOM 266 CG TYR A 17 -2.112 14.499 4.632 1.00 35.02 C ATOM 267 CD1 TYR A 17 -1.215 13.490 4.298 1.00 35.34 C ATOM 268 CD2 TYR A 17 -1.881 15.783 4.134 1.00 34.56 C ATOM 269 CE1 TYR A 17 -0.117 13.761 3.459 1.00 38.01 C ATOM 270 CE2 TYR A 17 -0.804 16.057 3.318 1.00 36.08 C ATOM 271 CZ TYR A 17 0.074 15.047 2.987 1.00 36.69 C ATOM 272 OH TYR A 17 1.145 15.343 2.183 1.00 38.00 O ATOM 273 HA TYR A 17 -2.280 15.407 7.040 1.00 0.00 H ATOM 274 HB3 TYR A 17 -4.112 14.887 5.292 1.00 0.00 H ATOM 275 HB2 TYR A 17 -3.593 13.194 5.463 1.00 0.00 H ATOM 276 HD2 TYR A 17 -2.568 16.587 4.397 1.00 0.00 H ATOM 277 HE2 TYR A 17 -0.648 17.066 2.937 1.00 0.00 H ATOM 278 HE1 TYR A 17 0.575 12.965 3.184 1.00 0.00 H ATOM 279 HD1 TYR A 17 -1.363 12.483 4.688 1.00 0.00 H ATOM 280 HH TYR A 17 1.681 14.524 2.034 1.00 0.00 H ATOM 281 H TYR A 17 -2.382 12.422 7.286 1.00 0.00 H ATOM 282 N SER A 18 -4.797 13.735 8.320 1.00 38.23 N ATOM 283 CA SER A 18 -6.022 13.930 9.116 1.00 39.36 C ATOM 284 C SER A 18 -5.731 14.547 10.483 1.00 42.16 C ATOM 285 O SER A 18 -6.595 15.229 11.063 1.00 43.51 O ATOM 286 CB SER A 18 -6.766 12.606 9.311 1.00 39.06 C ATOM 287 OG SER A 18 -6.107 11.816 10.282 1.00 41.86 O ATOM 288 HA SER A 18 -6.648 14.623 8.553 1.00 0.00 H ATOM 289 HB2 SER A 18 -6.794 12.065 8.365 1.00 0.00 H ATOM 290 HB3 SER A 18 -7.784 12.810 9.642 1.00 0.00 H ATOM 291 HG SER A 18 -6.082 12.305 11.142 1.00 0.00 H ATOM 292 H SER A 18 -4.482 12.772 8.085 1.00 0.00 H ATOM 293 N GLY A 19 -4.528 14.294 10.993 1.00 43.99 N ATOM 294 CA GLY A 19 -4.125 14.758 12.319 1.00 47.51 C ATOM 295 C GLY A 19 -3.637 16.194 12.373 1.00 48.96 C ATOM 296 O GLY A 19 -3.271 16.696 13.436 1.00 52.43 O ATOM 297 HA3 GLY A 19 -3.321 14.113 12.674 1.00 0.00 H ATOM 298 HA2 GLY A 19 -4.983 14.666 12.985 1.00 0.00 H ATOM 299 H GLY A 19 -3.849 13.746 10.427 1.00 0.00 H ATOM 300 N ARG A 20 -3.645 16.874 11.236 1.00 46.52 N ATOM 301 CA ARG A 20 -3.148 18.238 11.177 1.00 48.56 C ATOM 302 C ARG A 20 -4.041 19.218 11.938 1.00 51.00 C ATOM 303 O ARG A 20 -3.565 19.966 12.773 1.00 54.60 O ATOM 304 CB ARG A 20 -2.989 18.668 9.717 1.00 46.05 C ATOM 305 CG ARG A 20 -1.734 18.101 9.078 1.00 44.89 C ATOM 306 CD ARG A 20 -1.735 18.368 7.605 1.00 41.03 C ATOM 307 NE ARG A 20 -0.513 17.871 7.001 1.00 41.86 N ATOM 308 CZ ARG A 20 -0.030 18.302 5.839 1.00 43.99 C ATOM 309 NH1 ARG A 20 -0.659 19.258 5.161 1.00 42.05 N ATOM 310 NH2 ARG A 20 1.092 17.786 5.360 1.00 43.31 N ATOM 311 HA ARG A 20 -2.175 18.258 11.669 1.00 0.00 H ATOM 312 HB2 ARG A 20 -3.856 18.322 9.154 1.00 0.00 H ATOM 313 HB3 ARG A 20 -2.942 19.756 9.676 1.00 0.00 H ATOM 314 HG2 ARG A 20 -0.858 18.569 9.528 1.00 0.00 H ATOM 315 HG3 ARG A 20 -1.698 17.025 9.249 1.00 0.00 H ATOM 316 HD2 ARG A 20 -1.810 19.442 7.434 1.00 0.00 H ATOM 317 HD3 ARG A 20 -2.590 17.869 7.150 1.00 0.00 H ATOM 318 HE ARG A 20 0.017 17.133 7.507 1.00 0.00 H ATOM 319 HH12 ARG A 20 -0.275 19.590 4.253 1.00 0.00 H ATOM 320 HH11 ARG A 20 -1.534 19.673 5.539 1.00 0.00 H ATOM 321 HH22 ARG A 20 1.472 18.121 4.452 1.00 0.00 H ATOM 322 HH21 ARG A 20 1.593 17.046 5.892 1.00 0.00 H ATOM 323 H ARG A 20 -4.012 16.425 10.373 1.00 0.00 H ATOM 324 N GLU A 21 -5.338 19.195 11.654 1.00 49.78 N ATOM 325 CA GLU A 21 -6.257 20.221 12.159 1.00 53.24 C ATOM 326 C GLU A 21 -7.588 19.606 12.571 1.00 52.21 C ATOM 327 O GLU A 21 -8.006 18.569 12.027 1.00 49.13 O ATOM 328 CB GLU A 21 -6.502 21.312 11.101 1.00 52.87 C ATOM 329 CG GLU A 21 -5.230 22.037 10.586 1.00 56.34 C ATOM 330 CD GLU A 21 -5.523 23.325 9.797 1.00 57.99 C ATOM 331 OE1 GLU A 21 -4.718 24.282 9.905 1.00 66.37 O ATOM 332 OE2 GLU A 21 -6.546 23.387 9.072 1.00 59.73 O ATOM 333 HA GLU A 21 -5.790 20.674 13.033 1.00 0.00 H ATOM 334 HB2 GLU A 21 -6.994 20.848 10.246 1.00 0.00 H ATOM 335 HB3 GLU A 21 -7.163 22.061 11.537 1.00 0.00 H ATOM 336 HG2 GLU A 21 -4.610 22.294 11.445 1.00 0.00 H ATOM 337 HG3 GLU A 21 -4.684 21.353 9.936 1.00 0.00 H ATOM 338 H GLU A 21 -5.712 18.429 11.058 1.00 0.00 H ATOM 339 N GLY A 22 -8.252 20.247 13.532 1.00 54.86 N ATOM 340 CA GLY A 22 -9.558 19.795 14.013 1.00 55.58 C ATOM 341 C GLY A 22 -9.562 18.328 14.422 1.00 54.53 C ATOM 342 O GLY A 22 -8.638 17.855 15.091 1.00 55.86 O ATOM 343 HA3 GLY A 22 -10.290 19.937 13.218 1.00 0.00 H ATOM 344 HA2 GLY A 22 -9.839 20.398 14.876 1.00 0.00 H ATOM 345 H GLY A 22 -7.828 21.097 13.955 1.00 0.00 H ATOM 346 N ASP A 23 -10.602 17.609 14.012 1.00 52.89 N ATOM 347 CA ASP A 23 -10.700 16.187 14.276 1.00 52.95 C ATOM 348 C ASP A 23 -9.447 15.510 13.740 1.00 50.90 C ATOM 349 O ASP A 23 -9.129 15.641 12.568 1.00 47.14 O ATOM 350 CB ASP A 23 -11.934 15.603 13.583 1.00 51.73 C ATOM 351 CG ASP A 23 -12.237 14.185 14.031 1.00 53.86 C ATOM 352 OD1 ASP A 23 -11.289 13.396 14.245 1.00 53.04 O ATOM 353 OD2 ASP A 23 -13.435 13.860 14.176 1.00 57.57 O ATOM 354 HA ASP A 23 -10.792 16.019 15.349 1.00 0.00 H ATOM 355 HB2 ASP A 23 -12.794 16.233 13.811 1.00 0.00 H ATOM 356 HB3 ASP A 23 -11.762 15.600 12.507 1.00 0.00 H ATOM 357 H ASP A 23 -11.367 18.080 13.487 1.00 0.00 H ATOM 358 N LYS A 24 -8.722 14.809 14.601 1.00 53.16 N ATOM 359 CA LYS A 24 -7.450 14.213 14.181 1.00 52.00 C ATOM 360 C LYS A 24 -7.640 12.907 13.436 1.00 50.21 C ATOM 361 O LYS A 24 -6.669 12.312 12.959 1.00 49.85 O ATOM 362 CB LYS A 24 -6.519 14.033 15.383 1.00 56.14 C ATOM 363 CG LYS A 24 -6.004 15.359 15.892 1.00 58.21 C ATOM 364 CD LYS A 24 -4.867 15.208 16.880 1.00 63.21 C ATOM 365 CE LYS A 24 -4.361 16.585 17.290 1.00 65.90 C ATOM 366 NZ LYS A 24 -4.044 17.408 16.073 1.00 63.56 N ATOM 367 HA LYS A 24 -6.985 14.906 13.480 1.00 0.00 H ATOM 368 HB2 LYS A 24 -7.067 13.535 16.183 1.00 0.00 H ATOM 369 HB3 LYS A 24 -5.672 13.415 15.085 1.00 0.00 H ATOM 370 HG2 LYS A 24 -5.652 15.945 15.043 1.00 0.00 H ATOM 371 HG3 LYS A 24 -6.823 15.886 16.381 1.00 0.00 H ATOM 372 HD2 LYS A 24 -5.221 14.674 17.762 1.00 0.00 H ATOM 373 HD3 LYS A 24 -4.056 14.646 16.417 1.00 0.00 H ATOM 374 HE2 LYS A 24 -3.460 16.472 17.893 1.00 0.00 H ATOM 375 HE3 LYS A 24 -5.128 17.090 17.876 1.00 0.00 H ATOM 376 HZ1 LYS A 24 -3.310 16.929 15.513 1.00 0.00 H ATOM 377 HZ2 LYS A 24 -4.903 17.519 15.498 1.00 0.00 H ATOM 378 HZ3 LYS A 24 -3.700 18.344 16.369 1.00 0.00 H ATOM 379 H LYS A 24 -9.057 14.682 15.577 1.00 0.00 H ATOM 380 N HIS A 25 -8.895 12.483 13.307 1.00 49.77 N ATOM 381 CA HIS A 25 -9.225 11.218 12.637 1.00 48.87 C ATOM 382 C HIS A 25 -10.021 11.407 11.352 1.00 45.78 C ATOM 383 O HIS A 25 -10.461 10.433 10.742 1.00 44.99 O ATOM 384 CB HIS A 25 -10.001 10.305 13.592 1.00 52.28 C ATOM 385 CG HIS A 25 -9.215 9.884 14.795 1.00 55.90 C ATOM 386 ND1 HIS A 25 -8.157 9.002 14.720 1.00 57.56 N ATOM 387 CD2 HIS A 25 -9.326 10.229 16.099 1.00 60.20 C ATOM 388 CE1 HIS A 25 -7.652 8.821 15.928 1.00 62.19 C ATOM 389 NE2 HIS A 25 -8.344 9.554 16.782 1.00 62.66 N ATOM 390 HA HIS A 25 -8.276 10.759 12.359 1.00 0.00 H ATOM 391 HB2 HIS A 25 -10.890 10.837 13.931 1.00 0.00 H ATOM 392 HB3 HIS A 25 -10.300 9.410 13.046 1.00 0.00 H ATOM 393 HD2 HIS A 25 -10.058 10.914 16.527 1.00 0.00 H ATOM 394 HE1 HIS A 25 -6.809 8.177 16.177 1.00 0.00 H ATOM 395 H HIS A 25 -9.666 13.065 13.692 1.00 0.00 H ATOM 396 N LYS A 26 -10.222 12.658 10.948 1.00 44.64 N ATOM 397 CA LYS A 26 -10.929 12.950 9.700 1.00 42.22 C ATOM 398 C LYS A 26 -10.171 14.004 8.898 1.00 40.92 C ATOM 399 O LYS A 26 -9.462 14.836 9.480 1.00 40.98 O ATOM 400 CB LYS A 26 -12.338 13.484 9.985 1.00 44.55 C ATOM 401 CG LYS A 26 -13.307 12.488 10.628 1.00 46.11 C ATOM 402 CD LYS A 26 -14.590 13.186 11.058 1.00 49.09 C ATOM 403 HA LYS A 26 -10.996 12.022 9.133 1.00 0.00 H ATOM 404 HB2 LYS A 26 -12.244 14.339 10.654 1.00 0.00 H ATOM 405 HB3 LYS A 26 -12.771 13.810 9.039 1.00 0.00 H ATOM 406 HG2 LYS A 26 -13.549 11.707 9.907 1.00 0.00 H ATOM 407 HG3 LYS A 26 -12.833 12.040 11.501 1.00 0.00 H ATOM 408 HD2 LYS A 26 -14.353 13.965 11.782 1.00 0.00 H ATOM 409 HD3 LYS A 26 -15.069 13.632 10.186 1.00 0.00 H ATOM 410 H LYS A 26 -9.870 13.444 11.530 1.00 0.00 H ATOM 411 N LEU A 27 -10.330 13.961 7.568 1.00 37.54 N ATOM 412 CA LEU A 27 -9.732 14.962 6.684 1.00 36.71 C ATOM 413 C LEU A 27 -10.734 16.074 6.407 1.00 37.32 C ATOM 414 O LEU A 27 -11.796 15.821 5.820 1.00 38.65 O ATOM 415 CB LEU A 27 -9.310 14.323 5.349 1.00 34.68 C ATOM 416 CG LEU A 27 -8.288 13.183 5.381 1.00 34.65 C ATOM 417 CD1 LEU A 27 -8.297 12.362 4.071 1.00 35.29 C ATOM 418 CD2 LEU A 27 -6.929 13.745 5.670 1.00 33.42 C ATOM 419 HA LEU A 27 -8.851 15.372 7.179 1.00 0.00 H ATOM 420 HB2 LEU A 27 -10.213 13.935 4.877 1.00 0.00 H ATOM 421 HB3 LEU A 27 -8.890 15.116 4.730 1.00 0.00 H ATOM 422 HG LEU A 27 -8.563 12.490 6.176 1.00 0.00 H ATOM 423 HD21 LEU A 27 -6.658 14.457 4.890 1.00 0.00 H ATOM 424 HD22 LEU A 27 -6.944 14.250 6.636 1.00 0.00 H ATOM 425 HD23 LEU A 27 -6.200 12.935 5.693 1.00 0.00 H ATOM 426 HD11 LEU A 27 -9.286 11.930 3.921 1.00 0.00 H ATOM 427 HD12 LEU A 27 -8.054 13.015 3.233 1.00 0.00 H ATOM 428 HD13 LEU A 27 -7.557 11.565 4.138 1.00 0.00 H ATOM 429 H LEU A 27 -10.895 13.193 7.152 1.00 0.00 H ATOM 430 N LYS A 28 -10.412 17.297 6.813 1.00 37.75 N ATOM 431 CA LYS A 28 -11.187 18.455 6.361 1.00 39.80 C ATOM 432 C LYS A 28 -10.745 18.735 4.934 1.00 38.32 C ATOM 433 O LYS A 28 -9.806 18.097 4.439 1.00 36.43 O ATOM 434 CB LYS A 28 -10.969 19.681 7.274 1.00 42.09 C ATOM 435 CG LYS A 28 -9.538 20.202 7.308 1.00 42.43 C ATOM 436 CD LYS A 28 -9.373 21.372 8.288 1.00 46.40 C ATOM 437 HA LYS A 28 -12.256 18.246 6.404 1.00 0.00 H ATOM 438 HB2 LYS A 28 -11.615 20.485 6.923 1.00 0.00 H ATOM 439 HB3 LYS A 28 -11.254 19.404 8.289 1.00 0.00 H ATOM 440 HG2 LYS A 28 -8.876 19.392 7.613 1.00 0.00 H ATOM 441 HG3 LYS A 28 -9.262 20.539 6.309 1.00 0.00 H ATOM 442 HD2 LYS A 28 -10.026 22.191 7.987 1.00 0.00 H ATOM 443 HD3 LYS A 28 -9.639 21.043 9.293 1.00 0.00 H ATOM 444 H LYS A 28 -9.605 17.433 7.455 1.00 0.00 H ATOM 445 N LYS A 29 -11.410 19.670 4.265 1.00 40.01 N ATOM 446 CA LYS A 29 -11.084 19.990 2.869 1.00 39.26 C ATOM 447 C LYS A 29 -9.599 20.323 2.597 1.00 38.81 C ATOM 448 O LYS A 29 -9.033 19.855 1.600 1.00 36.41 O ATOM 449 CB LYS A 29 -11.963 21.124 2.365 1.00 42.09 C ATOM 450 CG LYS A 29 -13.371 20.738 2.011 1.00 41.91 C ATOM 451 CD LYS A 29 -14.058 21.938 1.361 1.00 43.74 C ATOM 452 CE LYS A 29 -15.540 21.887 1.523 1.00 46.30 C ATOM 453 NZ LYS A 29 -16.197 23.043 0.845 1.00 48.95 N ATOM 454 HA LYS A 29 -11.283 19.069 2.320 1.00 0.00 H ATOM 455 HB2 LYS A 29 -12.008 21.886 3.143 1.00 0.00 H ATOM 456 HB3 LYS A 29 -11.495 21.543 1.474 1.00 0.00 H ATOM 457 HG2 LYS A 29 -13.358 19.900 1.314 1.00 0.00 H ATOM 458 HG3 LYS A 29 -13.911 20.450 2.913 1.00 0.00 H ATOM 459 HD2 LYS A 29 -13.684 22.851 1.824 1.00 0.00 H ATOM 460 HD3 LYS A 29 -13.820 21.947 0.297 1.00 0.00 H ATOM 461 HE2 LYS A 29 -15.783 21.912 2.585 1.00 0.00 H ATOM 462 HE3 LYS A 29 -15.914 20.960 1.088 1.00 0.00 H ATOM 463 HZ1 LYS A 29 -15.848 23.931 1.259 1.00 0.00 H ATOM 464 HZ2 LYS A 29 -15.973 23.021 -0.170 1.00 0.00 H ATOM 465 HZ3 LYS A 29 -17.227 22.980 0.975 1.00 0.00 H ATOM 466 H LYS A 29 -12.178 20.187 4.740 1.00 0.00 H ATOM 467 N SER A 30 -8.988 21.150 3.447 1.00 39.87 N ATOM 468 CA SER A 30 -7.593 21.556 3.250 1.00 40.71 C ATOM 469 C SER A 30 -6.641 20.379 3.443 1.00 38.50 C ATOM 470 O SER A 30 -5.662 20.255 2.717 1.00 38.66 O ATOM 471 CB SER A 30 -7.201 22.715 4.179 1.00 43.82 C ATOM 472 OG SER A 30 -7.329 22.311 5.526 1.00 45.80 O ATOM 473 HA SER A 30 -7.507 21.905 2.221 1.00 0.00 H ATOM 474 HB2 SER A 30 -7.855 23.566 3.992 1.00 0.00 H ATOM 475 HB3 SER A 30 -6.168 23.003 3.984 1.00 0.00 H ATOM 476 HG SER A 30 -7.075 23.061 6.120 1.00 0.00 H ATOM 477 H SER A 30 -9.513 21.515 4.267 1.00 0.00 H ATOM 478 N GLU A 31 -6.945 19.495 4.391 1.00 38.21 N ATOM 479 CA GLU A 31 -6.157 18.262 4.587 1.00 36.34 C ATOM 480 C GLU A 31 -6.244 17.310 3.390 1.00 34.93 C ATOM 481 O GLU A 31 -5.228 16.723 2.972 1.00 34.16 O ATOM 482 CB GLU A 31 -6.588 17.535 5.873 1.00 36.69 C ATOM 483 CG GLU A 31 -6.194 18.289 7.157 1.00 38.57 C ATOM 484 CD GLU A 31 -6.863 17.753 8.418 1.00 39.79 C ATOM 485 OE1 GLU A 31 -7.936 17.120 8.351 1.00 40.65 O ATOM 486 OE2 GLU A 31 -6.345 18.003 9.512 1.00 44.94 O ATOM 487 HA GLU A 31 -5.116 18.571 4.681 1.00 0.00 H ATOM 488 HB2 GLU A 31 -7.672 17.418 5.858 1.00 0.00 H ATOM 489 HB3 GLU A 31 -6.117 16.552 5.890 1.00 0.00 H ATOM 490 HG2 GLU A 31 -5.114 18.213 7.282 1.00 0.00 H ATOM 491 HG3 GLU A 31 -6.472 19.336 7.039 1.00 0.00 H ATOM 492 H GLU A 31 -7.760 19.678 5.011 1.00 0.00 H ATOM 493 N LEU A 32 -7.462 17.137 2.867 1.00 34.53 N ATOM 494 CA LEU A 32 -7.717 16.276 1.716 1.00 34.30 C ATOM 495 C LEU A 32 -6.967 16.835 0.520 1.00 33.51 C ATOM 496 O LEU A 32 -6.307 16.073 -0.199 1.00 33.61 O ATOM 497 CB LEU A 32 -9.219 16.277 1.361 1.00 35.68 C ATOM 498 CG LEU A 32 -9.976 15.057 0.827 1.00 37.53 C ATOM 499 CD1 LEU A 32 -11.185 15.483 -0.022 1.00 37.24 C ATOM 500 CD2 LEU A 32 -9.133 13.943 0.159 1.00 36.30 C ATOM 501 HA LEU A 32 -7.395 15.263 1.958 1.00 0.00 H ATOM 502 HB2 LEU A 32 -9.738 16.570 2.274 1.00 0.00 H ATOM 503 HB3 LEU A 32 -9.344 17.055 0.608 1.00 0.00 H ATOM 504 HG LEU A 32 -10.333 14.555 1.726 1.00 0.00 H ATOM 505 HD21 LEU A 32 -8.601 14.356 -0.698 1.00 0.00 H ATOM 506 HD22 LEU A 32 -8.415 13.551 0.880 1.00 0.00 H ATOM 507 HD23 LEU A 32 -9.792 13.141 -0.173 1.00 0.00 H ATOM 508 HD11 LEU A 32 -11.866 16.076 0.589 1.00 0.00 H ATOM 509 HD12 LEU A 32 -10.842 16.078 -0.868 1.00 0.00 H ATOM 510 HD13 LEU A 32 -11.702 14.595 -0.387 1.00 0.00 H ATOM 511 H LEU A 32 -8.264 17.638 3.300 1.00 0.00 H ATOM 512 N LYS A 33 -7.060 18.153 0.312 1.00 35.05 N ATOM 513 CA LYS A 33 -6.429 18.803 -0.840 1.00 36.17 C ATOM 514 C LYS A 33 -4.902 18.574 -0.816 1.00 35.54 C ATOM 515 O LYS A 33 -4.318 18.199 -1.833 1.00 35.16 O ATOM 516 CB LYS A 33 -6.758 20.305 -0.893 1.00 38.40 C ATOM 517 CG LYS A 33 -6.208 21.004 -2.124 1.00 40.70 C ATOM 518 CD LYS A 33 -6.380 22.522 -2.047 1.00 45.73 C ATOM 519 CE LYS A 33 -5.394 23.159 -1.066 1.00 51.84 C ATOM 520 NZ LYS A 33 -5.238 24.621 -1.339 1.00 58.59 N ATOM 521 HA LYS A 33 -6.835 18.350 -1.744 1.00 0.00 H ATOM 522 HB2 LYS A 33 -7.842 20.421 -0.885 1.00 0.00 H ATOM 523 HB3 LYS A 33 -6.337 20.782 -0.008 1.00 0.00 H ATOM 524 HG2 LYS A 33 -5.146 20.774 -2.215 1.00 0.00 H ATOM 525 HG3 LYS A 33 -6.735 20.634 -3.004 1.00 0.00 H ATOM 526 HD2 LYS A 33 -6.216 22.946 -3.038 1.00 0.00 H ATOM 527 HD3 LYS A 33 -7.396 22.746 -1.721 1.00 0.00 H ATOM 528 HE2 LYS A 33 -4.424 22.671 -1.167 1.00 0.00 H ATOM 529 HE3 LYS A 33 -5.763 23.023 -0.050 1.00 0.00 H ATOM 530 HZ1 LYS A 33 -4.882 24.756 -2.307 1.00 0.00 H ATOM 531 HZ2 LYS A 33 -6.160 25.091 -1.239 1.00 0.00 H ATOM 532 HZ3 LYS A 33 -4.564 25.029 -0.660 1.00 0.00 H ATOM 533 H LYS A 33 -7.596 18.734 0.988 1.00 0.00 H ATOM 534 N GLU A 34 -4.285 18.765 0.353 1.00 35.91 N ATOM 535 CA GLU A 34 -2.841 18.589 0.511 1.00 36.17 C ATOM 536 C GLU A 34 -2.435 17.137 0.281 1.00 35.61 C ATOM 537 O GLU A 34 -1.425 16.866 -0.406 1.00 36.19 O ATOM 538 CB GLU A 34 -2.345 19.110 1.874 1.00 38.05 C ATOM 539 CG GLU A 34 -2.648 20.608 2.161 1.00 40.01 C ATOM 540 CD GLU A 34 -1.981 21.594 1.176 1.00 44.54 C ATOM 541 OE1 GLU A 34 -1.337 21.160 0.189 1.00 43.45 O ATOM 542 OE2 GLU A 34 -2.115 22.829 1.378 1.00 46.13 O ATOM 543 HA GLU A 34 -2.353 19.193 -0.254 1.00 0.00 H ATOM 544 HB2 GLU A 34 -2.818 18.515 2.655 1.00 0.00 H ATOM 545 HB3 GLU A 34 -1.265 18.970 1.916 1.00 0.00 H ATOM 546 HG2 GLU A 34 -3.727 20.754 2.111 1.00 0.00 H ATOM 547 HG3 GLU A 34 -2.297 20.841 3.167 1.00 0.00 H ATOM 548 H GLU A 34 -4.850 19.048 1.179 1.00 0.00 H ATOM 549 N LEU A 35 -3.213 16.198 0.838 1.00 34.81 N ATOM 550 CA LEU A 35 -2.975 14.767 0.597 1.00 33.61 C ATOM 551 C LEU A 35 -2.927 14.452 -0.917 1.00 33.14 C ATOM 552 O LEU A 35 -1.970 13.832 -1.408 1.00 33.75 O ATOM 553 CB LEU A 35 -4.011 13.897 1.307 1.00 33.12 C ATOM 554 CG LEU A 35 -3.736 12.393 1.304 1.00 33.49 C ATOM 555 CD1 LEU A 35 -4.374 11.736 2.558 1.00 34.14 C ATOM 556 CD2 LEU A 35 -4.254 11.734 0.010 1.00 34.86 C ATOM 557 HA LEU A 35 -1.999 14.526 1.019 1.00 0.00 H ATOM 558 HB2 LEU A 35 -4.067 14.224 2.345 1.00 0.00 H ATOM 559 HB3 LEU A 35 -4.974 14.062 0.823 1.00 0.00 H ATOM 560 HG LEU A 35 -2.658 12.238 1.339 1.00 0.00 H ATOM 561 HD21 LEU A 35 -5.329 11.892 -0.071 1.00 0.00 H ATOM 562 HD22 LEU A 35 -3.754 12.181 -0.849 1.00 0.00 H ATOM 563 HD23 LEU A 35 -4.043 10.665 0.039 1.00 0.00 H ATOM 564 HD11 LEU A 35 -3.945 12.179 3.457 1.00 0.00 H ATOM 565 HD12 LEU A 35 -5.451 11.905 2.547 1.00 0.00 H ATOM 566 HD13 LEU A 35 -4.173 10.665 2.547 1.00 0.00 H ATOM 567 H LEU A 35 -4.000 16.487 1.453 1.00 0.00 H ATOM 568 N ILE A 36 -3.942 14.897 -1.648 1.00 31.88 N ATOM 569 CA ILE A 36 -4.018 14.651 -3.088 1.00 32.80 C ATOM 570 C ILE A 36 -2.855 15.311 -3.812 1.00 33.79 C ATOM 571 O ILE A 36 -2.179 14.669 -4.606 1.00 35.54 O ATOM 572 CB ILE A 36 -5.377 15.107 -3.674 1.00 33.64 C ATOM 573 CG1 ILE A 36 -6.502 14.237 -3.067 1.00 33.38 C ATOM 574 CG2 ILE A 36 -5.385 15.008 -5.213 1.00 35.94 C ATOM 575 CD1 ILE A 36 -7.921 14.718 -3.357 1.00 33.90 C ATOM 576 HA ILE A 36 -3.945 13.575 -3.244 1.00 0.00 H ATOM 577 HB ILE A 36 -5.541 16.153 -3.416 1.00 0.00 H ATOM 578 HG12 ILE A 36 -6.400 13.227 -3.464 1.00 0.00 H ATOM 579 HG13 ILE A 36 -6.367 14.216 -1.986 1.00 0.00 H ATOM 580 HD11 ILE A 36 -8.052 15.722 -2.955 1.00 0.00 H ATOM 581 HD12 ILE A 36 -8.085 14.733 -4.434 1.00 0.00 H ATOM 582 HD13 ILE A 36 -8.636 14.041 -2.888 1.00 0.00 H ATOM 583 HG21 ILE A 36 -4.600 15.644 -5.621 1.00 0.00 H ATOM 584 HG22 ILE A 36 -5.208 13.974 -5.510 1.00 0.00 H ATOM 585 HG23 ILE A 36 -6.353 15.335 -5.592 1.00 0.00 H ATOM 586 H ILE A 36 -4.703 15.434 -1.185 1.00 0.00 H ATOM 587 N ASN A 37 -2.624 16.583 -3.525 1.00 33.79 N ATOM 588 CA ASN A 37 -1.571 17.343 -4.203 1.00 36.71 C ATOM 589 C ASN A 37 -0.146 16.819 -3.964 1.00 37.40 C ATOM 590 O ASN A 37 0.698 16.834 -4.876 1.00 39.85 O ATOM 591 CB ASN A 37 -1.680 18.823 -3.825 1.00 37.16 C ATOM 592 CG ASN A 37 -2.837 19.536 -4.521 1.00 38.37 C ATOM 593 OD1 ASN A 37 -3.084 20.730 -4.274 1.00 41.36 O ATOM 594 ND2 ASN A 37 -3.532 18.832 -5.412 1.00 32.17 N ATOM 595 HA ASN A 37 -1.740 17.211 -5.272 1.00 0.00 H ATOM 596 HB2 ASN A 37 -1.825 18.896 -2.747 1.00 0.00 H ATOM 597 HB3 ASN A 37 -0.750 19.321 -4.100 1.00 0.00 H ATOM 598 HD22 ASN A 37 -3.292 17.835 -5.589 1.00 0.00 H ATOM 599 HD21 ASN A 37 -4.314 19.279 -5.932 1.00 0.00 H ATOM 600 H ASN A 37 -3.204 17.054 -2.801 1.00 0.00 H ATOM 601 N ASN A 38 0.132 16.413 -2.724 1.00 36.93 N ATOM 602 CA ASN A 38 1.478 15.983 -2.326 1.00 38.54 C ATOM 603 C ASN A 38 1.744 14.506 -2.565 1.00 38.71 C ATOM 604 O ASN A 38 2.865 14.126 -2.902 1.00 40.55 O ATOM 605 CB ASN A 38 1.717 16.207 -0.831 1.00 39.20 C ATOM 606 CG ASN A 38 1.714 17.657 -0.434 1.00 39.10 C ATOM 607 OD1 ASN A 38 2.021 18.549 -1.233 1.00 41.23 O ATOM 608 ND2 ASN A 38 1.412 17.902 0.839 1.00 41.04 N ATOM 609 HA ASN A 38 2.141 16.586 -2.947 1.00 0.00 H ATOM 610 HB2 ASN A 38 0.931 15.695 -0.275 1.00 0.00 H ATOM 611 HB3 ASN A 38 2.684 15.779 -0.568 1.00 0.00 H ATOM 612 HD22 ASN A 38 1.160 17.118 1.474 1.00 0.00 H ATOM 613 HD21 ASN A 38 1.428 18.878 1.199 1.00 0.00 H ATOM 614 H ASN A 38 -0.630 16.401 -2.016 1.00 0.00 H ATOM 615 N GLU A 39 0.718 13.687 -2.354 1.00 38.10 N ATOM 616 CA GLU A 39 0.888 12.226 -2.313 1.00 38.56 C ATOM 617 C GLU A 39 0.310 11.473 -3.513 1.00 38.83 C ATOM 618 O GLU A 39 0.586 10.274 -3.686 1.00 40.18 O ATOM 619 CB GLU A 39 0.313 11.644 -1.017 1.00 38.56 C ATOM 620 CG GLU A 39 0.723 12.368 0.301 1.00 39.54 C ATOM 621 CD GLU A 39 2.216 12.525 0.510 1.00 40.98 C ATOM 622 OE1 GLU A 39 3.006 11.685 0.024 1.00 41.74 O ATOM 623 OE2 GLU A 39 2.601 13.496 1.195 1.00 39.82 O ATOM 624 HA GLU A 39 1.967 12.076 -2.355 1.00 0.00 H ATOM 625 HB2 GLU A 39 -0.774 11.676 -1.091 1.00 0.00 H ATOM 626 HB3 GLU A 39 0.640 10.607 -0.943 1.00 0.00 H ATOM 627 HG2 GLU A 39 0.276 13.362 0.294 1.00 0.00 H ATOM 628 HG3 GLU A 39 0.323 11.797 1.139 1.00 0.00 H ATOM 629 H GLU A 39 -0.230 14.090 -2.214 1.00 0.00 H ATOM 630 N LEU A 40 -0.498 12.142 -4.331 1.00 37.78 N ATOM 631 CA LEU A 40 -1.115 11.470 -5.500 1.00 37.84 C ATOM 632 C LEU A 40 -0.816 12.149 -6.836 1.00 39.38 C ATOM 633 O LEU A 40 -1.580 12.022 -7.801 1.00 39.64 O ATOM 634 CB LEU A 40 -2.630 11.279 -5.298 1.00 36.94 C ATOM 635 CG LEU A 40 -3.036 10.280 -4.203 1.00 35.05 C ATOM 636 CD1 LEU A 40 -4.511 10.408 -3.782 1.00 34.68 C ATOM 637 CD2 LEU A 40 -2.733 8.824 -4.594 1.00 37.32 C ATOM 638 HA LEU A 40 -0.643 10.489 -5.557 1.00 0.00 H ATOM 639 HB2 LEU A 40 -3.059 12.248 -5.043 1.00 0.00 H ATOM 640 HB3 LEU A 40 -3.053 10.933 -6.241 1.00 0.00 H ATOM 641 HG LEU A 40 -2.420 10.545 -3.344 1.00 0.00 H ATOM 642 HD21 LEU A 40 -3.282 8.571 -5.501 1.00 0.00 H ATOM 643 HD22 LEU A 40 -1.663 8.712 -4.772 1.00 0.00 H ATOM 644 HD23 LEU A 40 -3.039 8.161 -3.785 1.00 0.00 H ATOM 645 HD11 LEU A 40 -4.692 11.411 -3.396 1.00 0.00 H ATOM 646 HD12 LEU A 40 -5.151 10.229 -4.646 1.00 0.00 H ATOM 647 HD13 LEU A 40 -4.731 9.674 -3.007 1.00 0.00 H ATOM 648 H LEU A 40 -0.699 13.146 -4.149 1.00 0.00 H ATOM 649 N SER A 41 0.326 12.833 -6.894 1.00 43.54 N ATOM 650 CA SER A 41 0.677 13.643 -8.057 1.00 44.53 C ATOM 651 C SER A 41 0.872 12.858 -9.371 1.00 46.55 C ATOM 652 O SER A 41 0.762 13.439 -10.448 1.00 47.72 O ATOM 653 CB SER A 41 1.912 14.506 -7.759 1.00 45.89 C ATOM 654 OG SER A 41 3.035 13.683 -7.504 1.00 46.73 O ATOM 655 HA SER A 41 -0.193 14.276 -8.232 1.00 0.00 H ATOM 656 HB2 SER A 41 1.715 15.127 -6.885 1.00 0.00 H ATOM 657 HB3 SER A 41 2.121 15.144 -8.617 1.00 0.00 H ATOM 658 HG SER A 41 2.848 13.104 -6.723 1.00 0.00 H ATOM 659 H SER A 41 0.984 12.789 -6.090 1.00 0.00 H ATOM 660 N HIS A 42 1.150 11.554 -9.286 1.00 48.02 N ATOM 661 CA HIS A 42 1.266 10.709 -10.491 1.00 50.57 C ATOM 662 C HIS A 42 -0.080 10.201 -11.025 1.00 49.79 C ATOM 663 O HIS A 42 -0.169 9.743 -12.173 1.00 52.53 O ATOM 664 CB HIS A 42 2.205 9.519 -10.246 1.00 53.01 C ATOM 665 CG HIS A 42 3.630 9.913 -10.025 1.00 55.46 C ATOM 666 ND1 HIS A 42 4.136 10.213 -8.779 1.00 55.37 N ATOM 667 CD2 HIS A 42 4.655 10.069 -10.895 1.00 59.94 C ATOM 668 CE1 HIS A 42 5.410 10.541 -8.890 1.00 58.00 C ATOM 669 NE2 HIS A 42 5.751 10.456 -10.163 1.00 61.67 N ATOM 670 HA HIS A 42 1.686 11.360 -11.257 1.00 0.00 H ATOM 671 HB2 HIS A 42 1.856 8.981 -9.365 1.00 0.00 H ATOM 672 HB3 HIS A 42 2.160 8.861 -11.114 1.00 0.00 H ATOM 673 HD2 HIS A 42 4.618 9.916 -11.974 1.00 0.00 H ATOM 674 HE1 HIS A 42 6.068 10.832 -8.071 1.00 0.00 H ATOM 675 H HIS A 42 1.288 11.124 -8.349 1.00 0.00 H ATOM 676 N PHE A 43 -1.106 10.267 -10.187 1.00 47.23 N ATOM 677 CA PHE A 43 -2.414 9.643 -10.457 1.00 47.00 C ATOM 678 C PHE A 43 -3.518 10.649 -10.760 1.00 45.28 C ATOM 679 O PHE A 43 -4.420 10.378 -11.567 1.00 45.72 O ATOM 680 CB PHE A 43 -2.839 8.758 -9.261 1.00 45.92 C ATOM 681 CG PHE A 43 -1.991 7.517 -9.088 1.00 49.44 C ATOM 682 CD1 PHE A 43 -1.226 7.024 -10.140 1.00 54.10 C ATOM 683 CD2 PHE A 43 -1.971 6.833 -7.894 1.00 49.84 C ATOM 684 CE1 PHE A 43 -0.450 5.873 -9.986 1.00 58.25 C ATOM 685 CE2 PHE A 43 -1.200 5.683 -7.743 1.00 53.11 C ATOM 686 CZ PHE A 43 -0.449 5.207 -8.779 1.00 55.86 C ATOM 687 HA PHE A 43 -2.282 9.037 -11.354 1.00 0.00 H ATOM 688 HB2 PHE A 43 -2.768 9.353 -8.350 1.00 0.00 H ATOM 689 HB3 PHE A 43 -3.873 8.449 -9.412 1.00 0.00 H ATOM 690 HD2 PHE A 43 -2.566 7.196 -7.056 1.00 0.00 H ATOM 691 HE2 PHE A 43 -1.196 5.158 -6.788 1.00 0.00 H ATOM 692 HZ PHE A 43 0.149 4.304 -8.652 1.00 0.00 H ATOM 693 HE1 PHE A 43 0.152 5.503 -10.816 1.00 0.00 H ATOM 694 HD1 PHE A 43 -1.232 7.543 -11.098 1.00 0.00 H ATOM 695 H PHE A 43 -0.981 10.785 -9.294 1.00 0.00 H ATOM 696 N LEU A 44 -3.435 11.804 -10.102 1.00 43.51 N ATOM 697 CA LEU A 44 -4.475 12.814 -10.139 1.00 42.54 C ATOM 698 C LEU A 44 -3.857 14.173 -10.413 1.00 42.79 C ATOM 699 O LEU A 44 -2.828 14.524 -9.817 1.00 41.96 O ATOM 700 CB LEU A 44 -5.227 12.871 -8.792 1.00 39.66 C ATOM 701 CG LEU A 44 -5.979 11.614 -8.300 1.00 42.63 C ATOM 702 CD1 LEU A 44 -6.682 11.841 -6.962 1.00 38.72 C ATOM 703 CD2 LEU A 44 -6.970 11.088 -9.362 1.00 45.49 C ATOM 704 HA LEU A 44 -5.178 12.554 -10.930 1.00 0.00 H ATOM 705 HB2 LEU A 44 -4.493 13.125 -8.027 1.00 0.00 H ATOM 706 HB3 LEU A 44 -5.961 13.673 -8.869 1.00 0.00 H ATOM 707 HG LEU A 44 -5.221 10.848 -8.139 1.00 0.00 H ATOM 708 HD21 LEU A 44 -7.704 11.862 -9.587 1.00 0.00 H ATOM 709 HD22 LEU A 44 -6.424 10.829 -10.269 1.00 0.00 H ATOM 710 HD23 LEU A 44 -7.478 10.204 -8.977 1.00 0.00 H ATOM 711 HD11 LEU A 44 -5.944 12.109 -6.206 1.00 0.00 H ATOM 712 HD12 LEU A 44 -7.407 12.648 -7.066 1.00 0.00 H ATOM 713 HD13 LEU A 44 -7.195 10.927 -6.663 1.00 0.00 H ATOM 714 H LEU A 44 -2.584 11.990 -9.535 1.00 0.00 H ATOM 715 N GLU A 45 -4.502 14.935 -11.296 1.00 44.07 N ATOM 716 CA GLU A 45 -4.128 16.332 -11.561 1.00 44.60 C ATOM 717 C GLU A 45 -4.152 17.142 -10.276 1.00 42.40 C ATOM 718 O GLU A 45 -5.075 17.001 -9.450 1.00 41.15 O ATOM 719 CB GLU A 45 -5.090 16.986 -12.562 1.00 46.36 C ATOM 720 CG GLU A 45 -4.577 17.043 -13.998 1.00 51.16 C ATOM 721 HA GLU A 45 -3.122 16.322 -11.980 1.00 0.00 H ATOM 722 HB2 GLU A 45 -6.022 16.420 -12.557 1.00 0.00 H ATOM 723 HB3 GLU A 45 -5.284 18.006 -12.230 1.00 0.00 H ATOM 724 HG2 GLU A 45 -3.651 17.618 -14.029 1.00 0.00 H ATOM 725 HG3 GLU A 45 -4.390 16.031 -14.356 1.00 0.00 H ATOM 726 H GLU A 45 -5.302 14.525 -11.819 1.00 0.00 H ATOM 727 N GLU A 46 -3.148 17.994 -10.113 1.00 42.32 N ATOM 728 CA GLU A 46 -3.067 18.877 -8.958 1.00 40.96 C ATOM 729 C GLU A 46 -4.366 19.678 -8.792 1.00 39.85 C ATOM 730 O GLU A 46 -4.922 20.165 -9.776 1.00 40.40 O ATOM 731 CB GLU A 46 -1.866 19.835 -9.096 1.00 43.25 C ATOM 732 CG GLU A 46 -1.599 20.640 -7.808 1.00 43.32 C ATOM 733 CD GLU A 46 -0.564 21.743 -7.959 1.00 46.44 C ATOM 734 OE1 GLU A 46 0.240 21.683 -8.903 1.00 50.98 O ATOM 735 OE2 GLU A 46 -0.562 22.684 -7.131 1.00 48.94 O ATOM 736 HA GLU A 46 -2.926 18.262 -8.070 1.00 0.00 H ATOM 737 HB2 GLU A 46 -0.977 19.250 -9.333 1.00 0.00 H ATOM 738 HB3 GLU A 46 -2.067 20.533 -9.909 1.00 0.00 H ATOM 739 HG2 GLU A 46 -2.537 21.094 -7.489 1.00 0.00 H ATOM 740 HG3 GLU A 46 -1.251 19.949 -7.040 1.00 0.00 H ATOM 741 H GLU A 46 -2.397 18.032 -10.831 1.00 0.00 H ATOM 742 N ILE A 47 -4.856 19.784 -7.556 1.00 37.24 N ATOM 743 CA ILE A 47 -6.031 20.608 -7.281 1.00 37.58 C ATOM 744 C ILE A 47 -5.653 22.065 -7.036 1.00 38.67 C ATOM 745 O ILE A 47 -4.898 22.373 -6.110 1.00 38.48 O ATOM 746 CB ILE A 47 -6.880 20.068 -6.106 1.00 36.05 C ATOM 747 CG1 ILE A 47 -7.275 18.610 -6.349 1.00 35.60 C ATOM 748 CG2 ILE A 47 -8.120 20.913 -5.962 1.00 37.53 C ATOM 749 CD1 ILE A 47 -7.939 17.915 -5.111 1.00 35.15 C ATOM 750 HA ILE A 47 -6.648 20.556 -8.178 1.00 0.00 H ATOM 751 HB ILE A 47 -6.289 20.116 -5.192 1.00 0.00 H ATOM 752 HG12 ILE A 47 -7.981 18.580 -7.179 1.00 0.00 H ATOM 753 HG13 ILE A 47 -6.378 18.051 -6.616 1.00 0.00 H ATOM 754 HD11 ILE A 47 -7.242 17.925 -4.273 1.00 0.00 H ATOM 755 HD12 ILE A 47 -8.846 18.454 -4.837 1.00 0.00 H ATOM 756 HD13 ILE A 47 -8.189 16.885 -5.365 1.00 0.00 H ATOM 757 HG21 ILE A 47 -7.833 21.946 -5.763 1.00 0.00 H ATOM 758 HG22 ILE A 47 -8.699 20.867 -6.884 1.00 0.00 H ATOM 759 HG23 ILE A 47 -8.721 20.536 -5.135 1.00 0.00 H ATOM 760 H ILE A 47 -4.395 19.273 -6.777 1.00 0.00 H ATOM 761 N LYS A 48 -6.169 22.950 -7.886 1.00 39.82 N ATOM 762 CA LYS A 48 -5.910 24.380 -7.746 1.00 43.11 C ATOM 763 C LYS A 48 -7.171 25.230 -7.560 1.00 44.06 C ATOM 764 O LYS A 48 -7.082 26.395 -7.162 1.00 46.93 O ATOM 765 CB LYS A 48 -5.106 24.904 -8.952 1.00 45.36 C ATOM 766 CG LYS A 48 -3.680 24.408 -9.022 1.00 45.40 C ATOM 767 CD LYS A 48 -3.030 24.811 -10.347 1.00 51.19 C ATOM 768 CE LYS A 48 -1.511 24.653 -10.299 1.00 54.78 C ATOM 769 NZ LYS A 48 -0.899 24.685 -11.660 1.00 60.35 N ATOM 770 HA LYS A 48 -5.330 24.483 -6.829 1.00 0.00 H ATOM 771 HB2 LYS A 48 -5.619 24.595 -9.863 1.00 0.00 H ATOM 772 HB3 LYS A 48 -5.085 25.993 -8.900 1.00 0.00 H ATOM 773 HG2 LYS A 48 -3.110 24.839 -8.198 1.00 0.00 H ATOM 774 HG3 LYS A 48 -3.675 23.321 -8.937 1.00 0.00 H ATOM 775 HD2 LYS A 48 -3.427 24.180 -11.142 1.00 0.00 H ATOM 776 HD3 LYS A 48 -3.271 25.853 -10.557 1.00 0.00 H ATOM 777 HE2 LYS A 48 -1.271 23.700 -9.828 1.00 0.00 H ATOM 778 HE3 LYS A 48 -1.092 25.465 -9.706 1.00 0.00 H ATOM 779 HZ1 LYS A 48 -1.288 23.908 -12.232 1.00 0.00 H ATOM 780 HZ2 LYS A 48 -1.116 25.595 -12.115 1.00 0.00 H ATOM 781 HZ3 LYS A 48 0.132 24.574 -11.578 1.00 0.00 H ATOM 782 H LYS A 48 -6.769 22.616 -8.667 1.00 0.00 H ATOM 783 N GLU A 49 -8.338 24.681 -7.873 1.00 43.32 N ATOM 784 CA GLU A 49 -9.566 25.480 -7.813 1.00 44.90 C ATOM 785 C GLU A 49 -10.442 24.981 -6.664 1.00 42.52 C ATOM 786 O GLU A 49 -10.527 23.784 -6.427 1.00 40.10 O ATOM 787 CB GLU A 49 -10.354 25.396 -9.129 1.00 46.90 C ATOM 788 CG GLU A 49 -9.678 25.951 -10.400 1.00 52.24 C ATOM 789 CD GLU A 49 -9.319 27.439 -10.353 1.00 59.48 C ATOM 790 OE1 GLU A 49 -10.130 28.285 -9.894 1.00 62.95 O ATOM 791 OE2 GLU A 49 -8.210 27.770 -10.823 1.00 63.10 O ATOM 792 HA GLU A 49 -9.287 26.521 -7.649 1.00 0.00 H ATOM 793 HB2 GLU A 49 -10.577 24.345 -9.310 1.00 0.00 H ATOM 794 HB3 GLU A 49 -11.285 25.945 -8.988 1.00 0.00 H ATOM 795 HG2 GLU A 49 -8.760 25.388 -10.567 1.00 0.00 H ATOM 796 HG3 GLU A 49 -10.356 25.794 -11.239 1.00 0.00 H ATOM 797 H GLU A 49 -8.382 23.683 -8.161 1.00 0.00 H ATOM 798 N GLN A 50 -11.102 25.909 -5.975 1.00 42.99 N ATOM 799 CA GLN A 50 -11.996 25.578 -4.867 1.00 42.21 C ATOM 800 C GLN A 50 -13.130 24.639 -5.291 1.00 40.81 C ATOM 801 O GLN A 50 -13.519 23.752 -4.542 1.00 39.83 O ATOM 802 CB GLN A 50 -12.594 26.860 -4.275 1.00 44.67 C ATOM 803 CG GLN A 50 -13.377 26.637 -3.002 1.00 45.71 C ATOM 804 CD GLN A 50 -12.498 26.174 -1.856 1.00 45.59 C ATOM 805 OE1 GLN A 50 -11.572 26.870 -1.467 1.00 50.67 O ATOM 806 NE2 GLN A 50 -12.803 25.018 -1.293 1.00 41.69 N ATOM 807 HA GLN A 50 -11.398 25.059 -4.118 1.00 0.00 H ATOM 808 HB2 GLN A 50 -11.780 27.552 -4.061 1.00 0.00 H ATOM 809 HB3 GLN A 50 -13.260 27.302 -5.016 1.00 0.00 H ATOM 810 HG2 GLN A 50 -13.858 27.573 -2.718 1.00 0.00 H ATOM 811 HG3 GLN A 50 -14.139 25.880 -3.187 1.00 0.00 H ATOM 812 HE22 GLN A 50 -13.600 24.457 -1.656 1.00 0.00 H ATOM 813 HE21 GLN A 50 -12.246 24.669 -0.487 1.00 0.00 H ATOM 814 H GLN A 50 -10.977 26.908 -6.235 1.00 0.00 H ATOM 815 N GLU A 51 -13.687 24.838 -6.476 1.00 42.54 N ATOM 816 CA GLU A 51 -14.805 23.989 -6.879 1.00 42.67 C ATOM 817 C GLU A 51 -14.417 22.525 -7.043 1.00 40.53 C ATOM 818 O GLU A 51 -15.266 21.642 -6.885 1.00 40.02 O ATOM 819 CB GLU A 51 -15.529 24.531 -8.109 1.00 46.73 C ATOM 820 CG GLU A 51 -14.734 24.625 -9.379 1.00 50.06 C ATOM 821 CD GLU A 51 -15.638 25.068 -10.504 1.00 56.77 C ATOM 822 OE1 GLU A 51 -15.567 26.246 -10.896 1.00 59.97 O ATOM 823 OE2 GLU A 51 -16.478 24.250 -10.938 1.00 60.01 O ATOM 824 HA GLU A 51 -15.514 24.021 -6.052 1.00 0.00 H ATOM 825 HB2 GLU A 51 -16.383 23.881 -8.302 1.00 0.00 H ATOM 826 HB3 GLU A 51 -15.884 25.533 -7.868 1.00 0.00 H ATOM 827 HG2 GLU A 51 -13.929 25.349 -9.252 1.00 0.00 H ATOM 828 HG3 GLU A 51 -14.309 23.649 -9.616 1.00 0.00 H ATOM 829 H GLU A 51 -13.335 25.585 -7.108 1.00 0.00 H ATOM 830 N VAL A 52 -13.131 22.279 -7.321 1.00 38.95 N ATOM 831 CA VAL A 52 -12.616 20.915 -7.454 1.00 37.90 C ATOM 832 C VAL A 52 -12.461 20.299 -6.075 1.00 36.88 C ATOM 833 O VAL A 52 -12.924 19.177 -5.866 1.00 36.00 O ATOM 834 CB VAL A 52 -11.305 20.824 -8.311 1.00 37.50 C ATOM 835 CG1 VAL A 52 -10.751 19.385 -8.313 1.00 35.23 C ATOM 836 CG2 VAL A 52 -11.582 21.279 -9.740 1.00 40.18 C ATOM 837 HA VAL A 52 -13.345 20.333 -8.018 1.00 0.00 H ATOM 838 HB VAL A 52 -10.557 21.480 -7.865 1.00 0.00 H ATOM 839 HG11 VAL A 52 -10.525 19.083 -7.290 1.00 0.00 H ATOM 840 HG12 VAL A 52 -11.496 18.711 -8.736 1.00 0.00 H ATOM 841 HG13 VAL A 52 -9.842 19.348 -8.914 1.00 0.00 H ATOM 842 HG21 VAL A 52 -12.345 20.639 -10.182 1.00 0.00 H ATOM 843 HG22 VAL A 52 -11.933 22.311 -9.730 1.00 0.00 H ATOM 844 HG23 VAL A 52 -10.665 21.212 -10.326 1.00 0.00 H ATOM 845 H VAL A 52 -12.479 23.080 -7.446 1.00 0.00 H ATOM 846 N VAL A 53 -11.891 21.052 -5.122 1.00 37.11 N ATOM 847 CA VAL A 53 -11.870 20.635 -3.698 1.00 37.55 C ATOM 848 C VAL A 53 -13.279 20.220 -3.235 1.00 37.44 C ATOM 849 O VAL A 53 -13.489 19.140 -2.684 1.00 36.73 O ATOM 850 CB VAL A 53 -11.379 21.808 -2.769 1.00 38.73 C ATOM 851 CG1 VAL A 53 -11.439 21.418 -1.279 1.00 41.69 C ATOM 852 CG2 VAL A 53 -9.976 22.243 -3.137 1.00 40.67 C ATOM 853 HA VAL A 53 -11.183 19.793 -3.621 1.00 0.00 H ATOM 854 HB VAL A 53 -12.058 22.646 -2.927 1.00 0.00 H ATOM 855 HG11 VAL A 53 -12.467 21.173 -1.010 1.00 0.00 H ATOM 856 HG12 VAL A 53 -10.801 20.552 -1.105 1.00 0.00 H ATOM 857 HG13 VAL A 53 -11.092 22.254 -0.672 1.00 0.00 H ATOM 858 HG21 VAL A 53 -9.294 21.400 -3.025 1.00 0.00 H ATOM 859 HG22 VAL A 53 -9.963 22.587 -4.171 1.00 0.00 H ATOM 860 HG23 VAL A 53 -9.664 23.054 -2.479 1.00 0.00 H ATOM 861 H VAL A 53 -11.451 21.955 -5.389 1.00 0.00 H ATOM 862 N ASP A 54 -14.223 21.131 -3.450 1.00 38.53 N ATOM 863 CA ASP A 54 -15.599 20.987 -3.021 1.00 39.09 C ATOM 864 C ASP A 54 -16.229 19.728 -3.612 1.00 39.43 C ATOM 865 O ASP A 54 -16.834 18.925 -2.882 1.00 39.49 O ATOM 866 CB ASP A 54 -16.387 22.232 -3.434 1.00 40.78 C ATOM 867 CG ASP A 54 -15.994 23.469 -2.641 1.00 40.87 C ATOM 868 OD1 ASP A 54 -15.197 23.366 -1.674 1.00 38.31 O ATOM 869 OD2 ASP A 54 -16.488 24.557 -2.991 1.00 42.28 O ATOM 870 HA ASP A 54 -15.624 20.886 -1.936 1.00 0.00 H ATOM 871 HB2 ASP A 54 -16.206 22.424 -4.492 1.00 0.00 H ATOM 872 HB3 ASP A 54 -17.449 22.040 -3.277 1.00 0.00 H ATOM 873 H ASP A 54 -13.958 21.999 -3.957 1.00 0.00 H ATOM 874 N LYS A 55 -16.058 19.537 -4.921 1.00 39.91 N ATOM 875 CA LYS A 55 -16.616 18.374 -5.602 1.00 41.66 C ATOM 876 C LYS A 55 -16.018 17.060 -5.084 1.00 40.17 C ATOM 877 O LYS A 55 -16.756 16.092 -4.872 1.00 41.21 O ATOM 878 CB LYS A 55 -16.432 18.480 -7.117 1.00 43.43 C ATOM 879 CG LYS A 55 -17.300 17.517 -7.911 1.00 48.79 C ATOM 880 CD LYS A 55 -18.711 18.089 -8.099 1.00 54.30 C ATOM 881 CE LYS A 55 -19.777 17.019 -8.130 1.00 57.59 C ATOM 882 NZ LYS A 55 -21.135 17.648 -8.305 1.00 62.02 N ATOM 883 HA LYS A 55 -17.683 18.362 -5.380 1.00 0.00 H ATOM 884 HB2 LYS A 55 -16.678 19.497 -7.423 1.00 0.00 H ATOM 885 HB3 LYS A 55 -15.388 18.274 -7.352 1.00 0.00 H ATOM 886 HG2 LYS A 55 -16.848 17.350 -8.889 1.00 0.00 H ATOM 887 HG3 LYS A 55 -17.366 16.570 -7.376 1.00 0.00 H ATOM 888 HD2 LYS A 55 -18.924 18.769 -7.275 1.00 0.00 H ATOM 889 HD3 LYS A 55 -18.742 18.639 -9.040 1.00 0.00 H ATOM 890 HE2 LYS A 55 -19.756 16.461 -7.194 1.00 0.00 H ATOM 891 HE3 LYS A 55 -19.584 16.341 -8.961 1.00 0.00 H ATOM 892 HZ1 LYS A 55 -21.321 18.294 -7.512 1.00 0.00 H ATOM 893 HZ2 LYS A 55 -21.157 18.179 -9.199 1.00 0.00 H ATOM 894 HZ3 LYS A 55 -21.861 16.903 -8.325 1.00 0.00 H ATOM 895 H LYS A 55 -15.514 20.234 -5.469 1.00 0.00 H ATOM 896 N VAL A 56 -14.696 17.019 -4.901 1.00 38.35 N ATOM 897 CA VAL A 56 -14.040 15.787 -4.446 1.00 38.03 C ATOM 898 C VAL A 56 -14.595 15.431 -3.087 1.00 37.75 C ATOM 899 O VAL A 56 -15.049 14.313 -2.905 1.00 38.36 O ATOM 900 CB VAL A 56 -12.513 15.899 -4.411 1.00 36.91 C ATOM 901 CG1 VAL A 56 -11.877 14.676 -3.708 1.00 36.79 C ATOM 902 CG2 VAL A 56 -11.987 16.014 -5.834 1.00 38.45 C ATOM 903 HA VAL A 56 -14.254 14.995 -5.163 1.00 0.00 H ATOM 904 HB VAL A 56 -12.242 16.788 -3.842 1.00 0.00 H ATOM 905 HG11 VAL A 56 -12.245 14.615 -2.684 1.00 0.00 H ATOM 906 HG12 VAL A 56 -12.147 13.768 -4.247 1.00 0.00 H ATOM 907 HG13 VAL A 56 -10.793 14.786 -3.700 1.00 0.00 H ATOM 908 HG21 VAL A 56 -12.277 15.128 -6.400 1.00 0.00 H ATOM 909 HG22 VAL A 56 -12.409 16.902 -6.305 1.00 0.00 H ATOM 910 HG23 VAL A 56 -10.900 16.094 -5.813 1.00 0.00 H ATOM 911 H VAL A 56 -14.125 17.869 -5.083 1.00 0.00 H ATOM 912 N MET A 57 -14.599 16.394 -2.158 1.00 37.02 N ATOM 913 CA MET A 57 -15.193 16.165 -0.827 1.00 37.71 C ATOM 914 C MET A 57 -16.628 15.709 -0.923 1.00 39.74 C ATOM 915 O MET A 57 -17.012 14.775 -0.236 1.00 39.56 O ATOM 916 CB MET A 57 -15.101 17.400 0.080 1.00 38.22 C ATOM 917 CG MET A 57 -15.593 17.134 1.516 1.00 40.28 C ATOM 918 SD MET A 57 -14.627 15.864 2.405 1.00 40.13 S ATOM 919 CE MET A 57 -13.187 16.816 2.947 1.00 37.76 C ATOM 920 HA MET A 57 -14.602 15.369 -0.373 1.00 0.00 H ATOM 921 HB2 MET A 57 -14.061 17.722 0.124 1.00 0.00 H ATOM 922 HB3 MET A 57 -15.708 18.195 -0.353 1.00 0.00 H ATOM 923 HG2 MET A 57 -16.631 16.805 1.468 1.00 0.00 H ATOM 924 HG3 MET A 57 -15.534 18.066 2.078 1.00 0.00 H ATOM 925 HE1 MET A 57 -12.670 17.219 2.076 1.00 0.00 H ATOM 926 HE2 MET A 57 -13.515 17.635 3.587 1.00 0.00 H ATOM 927 HE3 MET A 57 -12.512 16.166 3.503 1.00 0.00 H ATOM 928 H MET A 57 -14.177 17.319 -2.378 1.00 0.00 H ATOM 929 N GLU A 58 -17.419 16.356 -1.782 1.00 40.62 N ATOM 930 CA GLU A 58 -18.828 15.986 -1.945 1.00 44.57 C ATOM 931 C GLU A 58 -18.945 14.511 -2.345 1.00 44.83 C ATOM 932 O GLU A 58 -19.787 13.778 -1.837 1.00 46.73 O ATOM 933 CB GLU A 58 -19.497 16.920 -2.962 1.00 46.14 C ATOM 934 CG GLU A 58 -20.938 16.591 -3.310 1.00 51.35 C ATOM 935 CD GLU A 58 -21.497 17.483 -4.421 1.00 54.10 C ATOM 936 OE1 GLU A 58 -22.045 16.941 -5.410 1.00 59.97 O ATOM 937 OE2 GLU A 58 -21.401 18.725 -4.310 1.00 57.25 O ATOM 938 HA GLU A 58 -19.352 16.104 -0.997 1.00 0.00 H ATOM 939 HB2 GLU A 58 -19.473 17.931 -2.555 1.00 0.00 H ATOM 940 HB3 GLU A 58 -18.914 16.886 -3.882 1.00 0.00 H ATOM 941 HG2 GLU A 58 -20.989 15.553 -3.637 1.00 0.00 H ATOM 942 HG3 GLU A 58 -21.551 16.720 -2.418 1.00 0.00 H ATOM 943 H GLU A 58 -17.028 17.137 -2.346 1.00 0.00 H ATOM 944 N THR A 59 -18.049 14.078 -3.222 1.00 43.54 N ATOM 945 CA THR A 59 -18.045 12.698 -3.701 1.00 45.56 C ATOM 946 C THR A 59 -17.647 11.697 -2.599 1.00 44.89 C ATOM 947 O THR A 59 -18.271 10.624 -2.473 1.00 47.15 O ATOM 948 CB THR A 59 -17.145 12.572 -4.950 1.00 45.39 C ATOM 949 OG1 THR A 59 -17.622 13.488 -5.950 1.00 48.65 O ATOM 950 CG2 THR A 59 -17.167 11.167 -5.502 1.00 46.95 C ATOM 951 HA THR A 59 -19.064 12.438 -3.986 1.00 0.00 H ATOM 952 HB THR A 59 -16.118 12.806 -4.671 1.00 0.00 H ATOM 953 HG1 THR A 59 -17.582 14.412 -5.596 1.00 0.00 H ATOM 954 HG23 THR A 59 -16.805 10.474 -4.743 1.00 0.00 H ATOM 955 HG21 THR A 59 -18.187 10.903 -5.780 1.00 0.00 H ATOM 956 HG22 THR A 59 -16.524 11.113 -6.381 1.00 0.00 H ATOM 957 H THR A 59 -17.330 14.739 -3.578 1.00 0.00 H ATOM 958 N LEU A 60 -16.643 12.051 -1.794 1.00 42.32 N ATOM 959 CA LEU A 60 -16.068 11.111 -0.816 1.00 42.53 C ATOM 960 C LEU A 60 -16.805 11.068 0.513 1.00 43.85 C ATOM 961 O LEU A 60 -16.705 10.082 1.252 1.00 44.76 O ATOM 962 CB LEU A 60 -14.598 11.457 -0.548 1.00 39.84 C ATOM 963 CG LEU A 60 -13.663 11.403 -1.752 1.00 39.78 C ATOM 964 CD1 LEU A 60 -12.240 11.591 -1.256 1.00 39.96 C ATOM 965 CD2 LEU A 60 -13.828 10.093 -2.546 1.00 42.59 C ATOM 966 HA LEU A 60 -16.166 10.125 -1.271 1.00 0.00 H ATOM 967 HB2 LEU A 60 -14.563 12.469 -0.144 1.00 0.00 H ATOM 968 HB3 LEU A 60 -14.222 10.756 0.197 1.00 0.00 H ATOM 969 HG LEU A 60 -13.914 12.204 -2.448 1.00 0.00 H ATOM 970 HD21 LEU A 60 -13.602 9.246 -1.898 1.00 0.00 H ATOM 971 HD22 LEU A 60 -14.854 10.014 -2.905 1.00 0.00 H ATOM 972 HD23 LEU A 60 -13.144 10.095 -3.395 1.00 0.00 H ATOM 973 HD11 LEU A 60 -12.155 12.557 -0.758 1.00 0.00 H ATOM 974 HD12 LEU A 60 -11.993 10.795 -0.553 1.00 0.00 H ATOM 975 HD13 LEU A 60 -11.554 11.556 -2.102 1.00 0.00 H ATOM 976 H LEU A 60 -16.257 13.014 -1.859 1.00 0.00 H ATOM 977 N ASP A 61 -17.529 12.139 0.827 1.00 43.54 N ATOM 978 CA ASP A 61 -18.170 12.265 2.136 1.00 45.58 C ATOM 979 C ASP A 61 -19.561 11.606 2.214 1.00 48.92 C ATOM 980 O ASP A 61 -20.588 12.292 2.263 1.00 50.43 O ATOM 981 CB ASP A 61 -18.217 13.745 2.562 1.00 44.74 C ATOM 982 CG ASP A 61 -18.959 13.950 3.862 1.00 47.56 C ATOM 983 OD1 ASP A 61 -18.881 13.053 4.736 1.00 50.60 O ATOM 984 OD2 ASP A 61 -19.622 15.000 4.001 1.00 51.05 O ATOM 985 HA ASP A 61 -17.554 11.709 2.843 1.00 0.00 H ATOM 986 HB2 ASP A 61 -17.196 14.107 2.681 1.00 0.00 H ATOM 987 HB3 ASP A 61 -18.716 14.318 1.780 1.00 0.00 H ATOM 988 H ASP A 61 -17.641 12.901 0.129 1.00 0.00 H ATOM 989 N SER A 62 -19.574 10.273 2.251 1.00 50.47 N ATOM 990 CA SER A 62 -20.806 9.455 2.271 1.00 54.55 C ATOM 991 C SER A 62 -21.752 9.672 3.449 1.00 57.21 C ATOM 992 O SER A 62 -22.983 9.564 3.289 1.00 60.73 O ATOM 993 CB SER A 62 -20.449 7.965 2.234 1.00 55.97 C ATOM 994 OG SER A 62 -19.540 7.714 1.197 1.00 55.89 O ATOM 995 HA SER A 62 -21.345 9.789 1.384 1.00 0.00 H ATOM 996 HB2 SER A 62 -21.354 7.381 2.070 1.00 0.00 H ATOM 997 HB3 SER A 62 -20.000 7.678 3.185 1.00 0.00 H ATOM 998 HG SER A 62 -19.316 6.750 1.182 1.00 0.00 H ATOM 999 H SER A 62 -18.660 9.777 2.267 1.00 0.00 H ATOM 1000 N ASP A 63 -21.208 9.911 4.641 1.00 56.80 N ATOM 1001 CA ASP A 63 -22.081 10.067 5.818 1.00 60.52 C ATOM 1002 C ASP A 63 -22.485 11.531 6.043 1.00 59.47 C ATOM 1003 O ASP A 63 -23.132 11.846 7.030 1.00 62.76 O ATOM 1004 CB ASP A 63 -21.471 9.432 7.086 1.00 61.78 C ATOM 1005 CG ASP A 63 -20.146 10.061 7.489 1.00 59.69 C ATOM 1006 OD1 ASP A 63 -19.838 11.176 7.027 1.00 53.18 O ATOM 1007 OD2 ASP A 63 -19.403 9.436 8.275 1.00 63.55 O ATOM 1008 HA ASP A 63 -22.997 9.515 5.604 1.00 0.00 H ATOM 1009 HB2 ASP A 63 -22.177 9.552 7.908 1.00 0.00 H ATOM 1010 HB3 ASP A 63 -21.309 8.370 6.899 1.00 0.00 H ATOM 1011 H ASP A 63 -20.176 9.987 4.740 1.00 0.00 H ATOM 1012 N GLY A 64 -22.086 12.410 5.124 1.00 59.92 N ATOM 1013 CA GLY A 64 -22.535 13.801 5.101 1.00 61.20 C ATOM 1014 C GLY A 64 -22.153 14.710 6.261 1.00 61.11 C ATOM 1015 O GLY A 64 -22.900 15.638 6.586 1.00 64.86 O ATOM 1016 HA3 GLY A 64 -23.624 13.787 5.049 1.00 0.00 H ATOM 1017 HA2 GLY A 64 -22.135 14.253 4.193 1.00 0.00 H ATOM 1018 H GLY A 64 -21.424 12.091 4.388 1.00 0.00 H ATOM 1019 N ASP A 65 -21.002 14.464 6.881 1.00 57.60 N ATOM 1020 CA ASP A 65 -20.512 15.316 7.971 1.00 58.29 C ATOM 1021 C ASP A 65 -19.506 16.372 7.488 1.00 55.78 C ATOM 1022 O ASP A 65 -18.904 17.090 8.288 1.00 56.62 O ATOM 1023 CB ASP A 65 -19.913 14.471 9.114 1.00 58.49 C ATOM 1024 CG ASP A 65 -18.630 13.734 8.713 1.00 54.83 C ATOM 1025 OD1 ASP A 65 -18.200 13.835 7.542 1.00 51.87 O ATOM 1026 OD2 ASP A 65 -18.044 13.045 9.574 1.00 55.71 O ATOM 1027 HA ASP A 65 -21.378 15.854 8.357 1.00 0.00 H ATOM 1028 HB2 ASP A 65 -19.686 15.131 9.951 1.00 0.00 H ATOM 1029 HB3 ASP A 65 -20.653 13.734 9.425 1.00 0.00 H ATOM 1030 H ASP A 65 -20.433 13.645 6.585 1.00 0.00 H ATOM 1031 N GLY A 66 -19.310 16.459 6.179 1.00 53.66 N ATOM 1032 CA GLY A 66 -18.418 17.470 5.629 1.00 52.30 C ATOM 1033 C GLY A 66 -16.930 17.141 5.667 1.00 49.36 C ATOM 1034 O GLY A 66 -16.104 17.972 5.264 1.00 48.69 O ATOM 1035 HA3 GLY A 66 -18.571 18.391 6.191 1.00 0.00 H ATOM 1036 HA2 GLY A 66 -18.698 17.631 4.588 1.00 0.00 H ATOM 1037 H GLY A 66 -19.798 15.799 5.540 1.00 0.00 H ATOM 1038 N GLU A 67 -16.572 15.953 6.163 1.00 47.44 N ATOM 1039 CA GLU A 67 -15.162 15.557 6.231 1.00 45.79 C ATOM 1040 C GLU A 67 -14.984 14.165 5.672 1.00 44.13 C ATOM 1041 O GLU A 67 -15.976 13.445 5.488 1.00 44.89 O ATOM 1042 CB GLU A 67 -14.626 15.619 7.659 1.00 47.44 C ATOM 1043 CG GLU A 67 -14.586 17.032 8.267 1.00 50.94 C ATOM 1044 CD GLU A 67 -13.588 17.143 9.402 1.00 53.68 C ATOM 1045 OE1 GLU A 67 -12.442 16.675 9.246 1.00 54.47 O ATOM 1046 OE2 GLU A 67 -13.948 17.699 10.453 1.00 58.54 O ATOM 1047 HA GLU A 67 -14.591 16.265 5.630 1.00 0.00 H ATOM 1048 HB2 GLU A 67 -15.261 14.996 8.288 1.00 0.00 H ATOM 1049 HB3 GLU A 67 -13.612 15.219 7.660 1.00 0.00 H ATOM 1050 HG2 GLU A 67 -14.310 17.742 7.487 1.00 0.00 H ATOM 1051 HG3 GLU A 67 -15.578 17.279 8.647 1.00 0.00 H ATOM 1052 H GLU A 67 -17.305 15.299 6.506 1.00 0.00 H ATOM 1053 N CYS A 68 -13.732 13.795 5.395 1.00 42.52 N ATOM 1054 CA CYS A 68 -13.408 12.460 4.898 1.00 40.79 C ATOM 1055 C CYS A 68 -12.766 11.628 6.009 1.00 41.82 C ATOM 1056 O CYS A 68 -11.633 11.885 6.410 1.00 42.27 O ATOM 1057 CB CYS A 68 -12.477 12.519 3.665 1.00 39.62 C ATOM 1058 SG CYS A 68 -12.193 10.878 2.925 1.00 38.67 S ATOM 1059 HA CYS A 68 -14.338 11.986 4.585 1.00 0.00 H ATOM 1060 HB2 CYS A 68 -11.517 12.936 3.971 1.00 0.00 H ATOM 1061 HB3 CYS A 68 -12.930 13.167 2.915 1.00 0.00 H ATOM 1062 HG CYS A 68 -11.608 10.048 3.860 1.00 0.00 H ATOM 1063 H CYS A 68 -12.962 14.479 5.538 1.00 0.00 H ATOM 1064 N ASP A 69 -13.498 10.630 6.502 1.00 42.77 N ATOM 1065 CA ASP A 69 -12.984 9.749 7.547 1.00 44.56 C ATOM 1066 C ASP A 69 -12.237 8.567 6.939 1.00 43.23 C ATOM 1067 O ASP A 69 -12.141 8.458 5.713 1.00 41.02 O ATOM 1068 CB ASP A 69 -14.081 9.342 8.559 1.00 47.89 C ATOM 1069 CG ASP A 69 -15.159 8.428 7.971 1.00 50.09 C ATOM 1070 OD1 ASP A 69 -14.919 7.695 6.990 1.00 49.54 O ATOM 1071 OD2 ASP A 69 -16.270 8.416 8.540 1.00 52.86 O ATOM 1072 HA ASP A 69 -12.254 10.305 8.135 1.00 0.00 H ATOM 1073 HB2 ASP A 69 -13.605 8.822 9.390 1.00 0.00 H ATOM 1074 HB3 ASP A 69 -14.562 10.248 8.927 1.00 0.00 H ATOM 1075 H ASP A 69 -14.458 10.475 6.134 1.00 0.00 H ATOM 1076 N PHE A 70 -11.679 7.700 7.777 1.00 45.11 N ATOM 1077 CA PHE A 70 -10.784 6.672 7.251 1.00 44.66 C ATOM 1078 C PHE A 70 -11.470 5.669 6.327 1.00 43.84 C ATOM 1079 O PHE A 70 -10.869 5.202 5.362 1.00 41.64 O ATOM 1080 CB PHE A 70 -10.011 5.948 8.351 1.00 48.72 C ATOM 1081 CG PHE A 70 -8.978 5.015 7.812 1.00 48.88 C ATOM 1082 CD1 PHE A 70 -7.852 5.510 7.177 1.00 46.71 C ATOM 1083 CD2 PHE A 70 -9.143 3.636 7.909 1.00 53.00 C ATOM 1084 CE1 PHE A 70 -6.900 4.655 6.649 1.00 48.69 C ATOM 1085 CE2 PHE A 70 -8.195 2.772 7.391 1.00 53.00 C ATOM 1086 CZ PHE A 70 -7.069 3.282 6.763 1.00 51.99 C ATOM 1087 HA PHE A 70 -10.069 7.222 6.640 1.00 0.00 H ATOM 1088 HB2 PHE A 70 -9.517 6.691 8.977 1.00 0.00 H ATOM 1089 HB3 PHE A 70 -10.716 5.377 8.955 1.00 0.00 H ATOM 1090 HD2 PHE A 70 -10.029 3.233 8.399 1.00 0.00 H ATOM 1091 HE2 PHE A 70 -8.333 1.694 7.476 1.00 0.00 H ATOM 1092 HZ PHE A 70 -6.317 2.605 6.359 1.00 0.00 H ATOM 1093 HE1 PHE A 70 -6.021 5.058 6.146 1.00 0.00 H ATOM 1094 HD1 PHE A 70 -7.713 6.588 7.092 1.00 0.00 H ATOM 1095 H PHE A 70 -11.877 7.753 8.797 1.00 0.00 H ATOM 1096 N GLN A 71 -12.726 5.341 6.625 1.00 46.04 N ATOM 1097 CA GLN A 71 -13.498 4.450 5.766 1.00 46.39 C ATOM 1098 C GLN A 71 -13.814 5.109 4.425 1.00 43.74 C ATOM 1099 O GLN A 71 -13.738 4.465 3.374 1.00 43.75 O ATOM 1100 CB GLN A 71 -14.792 4.009 6.464 1.00 50.75 C ATOM 1101 CG GLN A 71 -14.558 3.191 7.718 1.00 55.21 C ATOM 1102 CD GLN A 71 -13.965 1.824 7.428 1.00 58.63 C ATOM 1103 HA GLN A 71 -12.889 3.567 5.572 1.00 0.00 H ATOM 1104 HB2 GLN A 71 -15.359 4.900 6.734 1.00 0.00 H ATOM 1105 HB3 GLN A 71 -15.374 3.409 5.764 1.00 0.00 H ATOM 1106 HG2 GLN A 71 -13.874 3.737 8.367 1.00 0.00 H ATOM 1107 HG3 GLN A 71 -15.511 3.056 8.229 1.00 0.00 H ATOM 1108 H GLN A 71 -13.164 5.727 7.486 1.00 0.00 H ATOM 1109 N GLU A 72 -14.154 6.394 4.465 1.00 42.30 N ATOM 1110 CA GLU A 72 -14.359 7.167 3.243 1.00 40.50 C ATOM 1111 C GLU A 72 -13.068 7.283 2.437 1.00 38.72 C ATOM 1112 O GLU A 72 -13.102 7.215 1.206 1.00 38.26 O ATOM 1113 CB GLU A 72 -14.985 8.525 3.552 1.00 40.66 C ATOM 1114 CG GLU A 72 -16.451 8.425 3.997 1.00 42.72 C ATOM 1115 CD GLU A 72 -16.895 9.632 4.803 1.00 45.08 C ATOM 1116 OE1 GLU A 72 -16.041 10.470 5.166 1.00 43.23 O ATOM 1117 OE2 GLU A 72 -18.100 9.744 5.099 1.00 48.90 O ATOM 1118 HA GLU A 72 -15.069 6.630 2.614 1.00 0.00 H ATOM 1119 HB2 GLU A 72 -14.412 8.998 4.349 1.00 0.00 H ATOM 1120 HB3 GLU A 72 -14.936 9.142 2.655 1.00 0.00 H ATOM 1121 HG2 GLU A 72 -17.081 8.344 3.111 1.00 0.00 H ATOM 1122 HG3 GLU A 72 -16.571 7.531 4.610 1.00 0.00 H ATOM 1123 H GLU A 72 -14.277 6.859 5.387 1.00 0.00 H ATOM 1124 N PHE A 73 -11.934 7.424 3.128 1.00 38.06 N ATOM 1125 CA PHE A 73 -10.630 7.441 2.459 1.00 37.79 C ATOM 1126 C PHE A 73 -10.342 6.116 1.745 1.00 37.88 C ATOM 1127 O PHE A 73 -9.817 6.101 0.632 1.00 38.23 O ATOM 1128 CB PHE A 73 -9.504 7.769 3.469 1.00 39.22 C ATOM 1129 CG PHE A 73 -8.124 7.727 2.883 1.00 39.02 C ATOM 1130 CD1 PHE A 73 -7.698 8.711 1.987 1.00 38.49 C ATOM 1131 CD2 PHE A 73 -7.235 6.712 3.239 1.00 39.04 C ATOM 1132 CE1 PHE A 73 -6.411 8.669 1.440 1.00 40.79 C ATOM 1133 CE2 PHE A 73 -5.964 6.662 2.700 1.00 42.05 C ATOM 1134 CZ PHE A 73 -5.541 7.648 1.802 1.00 43.11 C ATOM 1135 HA PHE A 73 -10.660 8.224 1.701 1.00 0.00 H ATOM 1136 HB2 PHE A 73 -9.678 8.770 3.863 1.00 0.00 H ATOM 1137 HB3 PHE A 73 -9.553 7.046 4.283 1.00 0.00 H ATOM 1138 HD2 PHE A 73 -7.547 5.949 3.952 1.00 0.00 H ATOM 1139 HE2 PHE A 73 -5.289 5.852 2.975 1.00 0.00 H ATOM 1140 HZ PHE A 73 -4.533 7.615 1.388 1.00 0.00 H ATOM 1141 HE1 PHE A 73 -6.092 9.434 0.733 1.00 0.00 H ATOM 1142 HD1 PHE A 73 -8.375 9.519 1.711 1.00 0.00 H ATOM 1143 H PHE A 73 -11.977 7.524 4.162 1.00 0.00 H ATOM 1144 N MET A 74 -10.659 5.004 2.392 1.00 39.40 N ATOM 1145 CA MET A 74 -10.450 3.686 1.784 1.00 40.21 C ATOM 1146 C MET A 74 -11.300 3.507 0.521 1.00 39.37 C ATOM 1147 O MET A 74 -10.849 2.907 -0.457 1.00 39.72 O ATOM 1148 CB MET A 74 -10.719 2.552 2.778 1.00 42.78 C ATOM 1149 CG MET A 74 -9.600 2.283 3.801 1.00 45.45 C ATOM 1150 SD MET A 74 -7.993 1.974 3.048 1.00 49.17 S ATOM 1151 CE MET A 74 -8.313 0.529 2.018 1.00 48.16 C ATOM 1152 HA MET A 74 -9.400 3.636 1.496 1.00 0.00 H ATOM 1153 HB2 MET A 74 -11.626 2.798 3.330 1.00 0.00 H ATOM 1154 HB3 MET A 74 -10.879 1.637 2.208 1.00 0.00 H ATOM 1155 HG2 MET A 74 -9.877 1.411 4.393 1.00 0.00 H ATOM 1156 HG3 MET A 74 -9.514 3.152 4.454 1.00 0.00 H ATOM 1157 HE1 MET A 74 -8.651 -0.295 2.646 1.00 0.00 H ATOM 1158 HE2 MET A 74 -9.084 0.770 1.286 1.00 0.00 H ATOM 1159 HE3 MET A 74 -7.397 0.242 1.502 1.00 0.00 H ATOM 1160 H MET A 74 -11.063 5.067 3.348 1.00 0.00 H ATOM 1161 N ALA A 75 -12.522 4.024 0.539 1.00 39.43 N ATOM 1162 CA ALA A 75 -13.358 4.039 -0.669 1.00 40.08 C ATOM 1163 C ALA A 75 -12.702 4.865 -1.792 1.00 38.99 C ATOM 1164 O ALA A 75 -12.794 4.499 -2.973 1.00 40.38 O ATOM 1165 CB ALA A 75 -14.728 4.595 -0.337 1.00 42.18 C ATOM 1166 HA ALA A 75 -13.462 3.015 -1.027 1.00 0.00 H ATOM 1167 HB1 ALA A 75 -15.199 3.969 0.421 1.00 0.00 H ATOM 1168 HB2 ALA A 75 -14.624 5.611 0.043 1.00 0.00 H ATOM 1169 HB3 ALA A 75 -15.343 4.603 -1.237 1.00 0.00 H ATOM 1170 H ALA A 75 -12.894 4.425 1.423 1.00 0.00 H ATOM 1171 N PHE A 76 -12.069 5.982 -1.415 1.00 37.23 N ATOM 1172 CA PHE A 76 -11.311 6.829 -2.343 1.00 37.38 C ATOM 1173 C PHE A 76 -10.155 6.029 -2.951 1.00 37.70 C ATOM 1174 O PHE A 76 -9.984 5.991 -4.185 1.00 39.14 O ATOM 1175 CB PHE A 76 -10.801 8.067 -1.581 1.00 36.32 C ATOM 1176 CG PHE A 76 -10.011 9.047 -2.402 1.00 38.45 C ATOM 1177 CD1 PHE A 76 -10.383 9.382 -3.707 1.00 40.31 C ATOM 1178 CD2 PHE A 76 -8.941 9.731 -1.823 1.00 39.09 C ATOM 1179 CE1 PHE A 76 -9.665 10.318 -4.430 1.00 39.67 C ATOM 1180 CE2 PHE A 76 -8.200 10.684 -2.557 1.00 39.67 C ATOM 1181 CZ PHE A 76 -8.571 10.979 -3.852 1.00 39.91 C ATOM 1182 HA PHE A 76 -11.949 7.161 -3.162 1.00 0.00 H ATOM 1183 HB2 PHE A 76 -11.665 8.590 -1.171 1.00 0.00 H ATOM 1184 HB3 PHE A 76 -10.166 7.722 -0.765 1.00 0.00 H ATOM 1185 HD2 PHE A 76 -8.672 9.526 -0.787 1.00 0.00 H ATOM 1186 HE2 PHE A 76 -7.343 11.182 -2.104 1.00 0.00 H ATOM 1187 HZ PHE A 76 -8.016 11.723 -4.424 1.00 0.00 H ATOM 1188 HE1 PHE A 76 -9.952 10.544 -5.457 1.00 0.00 H ATOM 1189 HD1 PHE A 76 -11.249 8.900 -4.161 1.00 0.00 H ATOM 1190 H PHE A 76 -12.117 6.264 -0.415 1.00 0.00 H ATOM 1191 N VAL A 77 -9.373 5.373 -2.098 1.00 37.00 N ATOM 1192 CA VAL A 77 -8.288 4.498 -2.571 1.00 38.21 C ATOM 1193 C VAL A 77 -8.811 3.409 -3.523 1.00 39.61 C ATOM 1194 O VAL A 77 -8.201 3.156 -4.568 1.00 41.18 O ATOM 1195 CB VAL A 77 -7.539 3.835 -1.397 1.00 39.06 C ATOM 1196 CG1 VAL A 77 -6.451 2.889 -1.897 1.00 41.95 C ATOM 1197 CG2 VAL A 77 -6.946 4.896 -0.490 1.00 38.96 C ATOM 1198 HA VAL A 77 -7.593 5.137 -3.116 1.00 0.00 H ATOM 1199 HB VAL A 77 -8.256 3.244 -0.828 1.00 0.00 H ATOM 1200 HG11 VAL A 77 -6.903 2.107 -2.506 1.00 0.00 H ATOM 1201 HG12 VAL A 77 -5.732 3.448 -2.496 1.00 0.00 H ATOM 1202 HG13 VAL A 77 -5.943 2.439 -1.044 1.00 0.00 H ATOM 1203 HG21 VAL A 77 -6.248 5.510 -1.059 1.00 0.00 H ATOM 1204 HG22 VAL A 77 -7.745 5.523 -0.096 1.00 0.00 H ATOM 1205 HG23 VAL A 77 -6.420 4.415 0.335 1.00 0.00 H ATOM 1206 H VAL A 77 -9.531 5.481 -1.076 1.00 0.00 H ATOM 1207 N ALA A 78 -9.922 2.767 -3.158 1.00 38.55 N ATOM 1208 CA ALA A 78 -10.582 1.794 -4.048 1.00 40.51 C ATOM 1209 C ALA A 78 -10.904 2.401 -5.417 1.00 40.73 C ATOM 1210 O ALA A 78 -10.661 1.765 -6.443 1.00 43.25 O ATOM 1211 CB ALA A 78 -11.836 1.229 -3.400 1.00 41.37 C ATOM 1212 HA ALA A 78 -9.880 0.976 -4.211 1.00 0.00 H ATOM 1213 HB1 ALA A 78 -11.569 0.728 -2.470 1.00 0.00 H ATOM 1214 HB2 ALA A 78 -12.532 2.041 -3.190 1.00 0.00 H ATOM 1215 HB3 ALA A 78 -12.303 0.514 -4.078 1.00 0.00 H ATOM 1216 H ALA A 78 -10.333 2.958 -2.222 1.00 0.00 H ATOM 1217 N MET A 79 -11.409 3.634 -5.428 1.00 44.40 N ATOM 1218 CA MET A 79 -11.720 4.357 -6.683 1.00 47.84 C ATOM 1219 C MET A 79 -10.488 4.534 -7.556 1.00 48.34 C ATOM 1220 O MET A 79 -10.530 4.307 -8.763 1.00 51.40 O ATOM 1221 CB MET A 79 -12.325 5.736 -6.408 1.00 50.23 C ATOM 1222 CG MET A 79 -13.722 5.735 -5.807 1.00 52.22 C ATOM 1223 SD MET A 79 -14.231 7.401 -5.338 1.00 58.82 S ATOM 1224 CE MET A 79 -15.506 7.032 -4.126 1.00 58.50 C ATOM 1225 HA MET A 79 -12.448 3.741 -7.210 1.00 0.00 H ATOM 1226 HB2 MET A 79 -11.664 6.261 -5.718 1.00 0.00 H ATOM 1227 HB3 MET A 79 -12.367 6.278 -7.353 1.00 0.00 H ATOM 1228 HG2 MET A 79 -13.728 5.099 -4.922 1.00 0.00 H ATOM 1229 HG3 MET A 79 -14.425 5.341 -6.541 1.00 0.00 H ATOM 1230 HE1 MET A 79 -16.297 6.449 -4.598 1.00 0.00 H ATOM 1231 HE2 MET A 79 -15.072 6.460 -3.306 1.00 0.00 H ATOM 1232 HE3 MET A 79 -15.920 7.964 -3.741 1.00 0.00 H ATOM 1233 H MET A 79 -11.592 4.107 -4.520 1.00 0.00 H ATOM 1234 N ILE A 80 -9.389 4.947 -6.933 1.00 46.99 N ATOM 1235 CA ILE A 80 -8.147 5.231 -7.653 1.00 48.09 C ATOM 1236 C ILE A 80 -7.580 3.929 -8.222 1.00 48.98 C ATOM 1237 O ILE A 80 -7.184 3.874 -9.390 1.00 52.02 O ATOM 1238 CB ILE A 80 -7.113 5.876 -6.715 1.00 48.09 C ATOM 1239 CG1 ILE A 80 -7.615 7.244 -6.241 1.00 49.35 C ATOM 1240 CG2 ILE A 80 -5.742 5.988 -7.397 1.00 49.87 C ATOM 1241 CD1 ILE A 80 -6.839 7.811 -5.050 1.00 49.59 C ATOM 1242 HA ILE A 80 -8.363 5.926 -8.464 1.00 0.00 H ATOM 1243 HB ILE A 80 -6.988 5.236 -5.842 1.00 0.00 H ATOM 1244 HG12 ILE A 80 -7.533 7.946 -7.070 1.00 0.00 H ATOM 1245 HG13 ILE A 80 -8.662 7.145 -5.953 1.00 0.00 H ATOM 1246 HD11 ILE A 80 -6.921 7.126 -4.206 1.00 0.00 H ATOM 1247 HD12 ILE A 80 -5.791 7.929 -5.324 1.00 0.00 H ATOM 1248 HD13 ILE A 80 -7.255 8.780 -4.775 1.00 0.00 H ATOM 1249 HG21 ILE A 80 -5.392 4.993 -7.671 1.00 0.00 H ATOM 1250 HG22 ILE A 80 -5.832 6.603 -8.293 1.00 0.00 H ATOM 1251 HG23 ILE A 80 -5.032 6.448 -6.709 1.00 0.00 H ATOM 1252 H ILE A 80 -9.412 5.072 -5.901 1.00 0.00 H ATOM 1253 N THR A 81 -7.552 2.890 -7.393 1.00 47.80 N ATOM 1254 CA THR A 81 -6.928 1.615 -7.758 1.00 50.94 C ATOM 1255 C THR A 81 -7.674 0.953 -8.902 1.00 54.20 C ATOM 1256 O THR A 81 -7.063 0.336 -9.788 1.00 58.63 O ATOM 1257 CB THR A 81 -6.889 0.640 -6.574 1.00 52.05 C ATOM 1258 OG1 THR A 81 -8.229 0.368 -6.137 1.00 51.57 O ATOM 1259 CG2 THR A 81 -6.094 1.222 -5.428 1.00 51.24 C ATOM 1260 HA THR A 81 -5.907 1.846 -8.063 1.00 0.00 H ATOM 1261 HB THR A 81 -6.408 -0.283 -6.897 1.00 0.00 H ATOM 1262 HG1 THR A 81 -8.661 1.213 -5.856 1.00 0.00 H ATOM 1263 HG23 THR A 81 -5.077 1.428 -5.761 1.00 0.00 H ATOM 1264 HG21 THR A 81 -6.563 2.148 -5.095 1.00 0.00 H ATOM 1265 HG22 THR A 81 -6.071 0.508 -4.604 1.00 0.00 H ATOM 1266 H THR A 81 -7.988 2.985 -6.453 1.00 0.00 H ATOM 1267 N THR A 82 -8.997 1.069 -8.871 1.00 54.06 N ATOM 1268 CA THR A 82 -9.848 0.525 -9.925 1.00 59.23 C ATOM 1269 C THR A 82 -9.670 1.282 -11.248 1.00 62.26 C ATOM 1270 O THR A 82 -9.686 0.685 -12.309 1.00 67.84 O ATOM 1271 CB THR A 82 -11.319 0.484 -9.484 1.00 59.68 C ATOM 1272 OG1 THR A 82 -11.414 -0.311 -8.295 1.00 58.01 O ATOM 1273 CG2 THR A 82 -12.203 -0.135 -10.566 1.00 68.04 C ATOM 1274 HA THR A 82 -9.531 -0.502 -10.105 1.00 0.00 H ATOM 1275 HB THR A 82 -11.661 1.503 -9.303 1.00 0.00 H ATOM 1276 HG1 THR A 82 -10.858 0.094 -7.583 1.00 0.00 H ATOM 1277 HG23 THR A 82 -12.137 0.464 -11.474 1.00 0.00 H ATOM 1278 HG21 THR A 82 -11.865 -1.150 -10.773 1.00 0.00 H ATOM 1279 HG22 THR A 82 -13.236 -0.159 -10.220 1.00 0.00 H ATOM 1280 H THR A 82 -9.441 1.563 -8.070 1.00 0.00 H ATOM 1281 N ALA A 83 -9.475 2.591 -11.191 1.00 61.06 N ATOM 1282 CA ALA A 83 -9.252 3.349 -12.425 1.00 66.00 C ATOM 1283 C ALA A 83 -7.942 2.970 -13.151 1.00 67.67 C ATOM 1284 O ALA A 83 -7.638 3.539 -14.199 1.00 72.01 O ATOM 1285 CB ALA A 83 -9.312 4.841 -12.149 1.00 65.98 C ATOM 1286 HA ALA A 83 -10.059 3.079 -13.106 1.00 0.00 H ATOM 1287 HB1 ALA A 83 -10.293 5.096 -11.748 1.00 0.00 H ATOM 1288 HB2 ALA A 83 -8.542 5.107 -11.425 1.00 0.00 H ATOM 1289 HB3 ALA A 83 -9.144 5.388 -13.077 1.00 0.00 H ATOM 1290 H ALA A 83 -9.480 3.079 -10.273 1.00 0.00 H ATOM 1291 N CYS A 84 -7.217 1.961 -12.644 1.00 67.08 N ATOM 1292 CA CYS A 84 -5.800 1.783 -12.991 1.00 67.85 C ATOM 1293 C CYS A 84 -5.049 0.458 -12.668 1.00 69.95 C ATOM 1294 O CYS A 84 -3.835 0.415 -12.876 1.00 69.74 O ATOM 1295 CB CYS A 84 -5.059 2.900 -12.241 1.00 64.19 C ATOM 1296 SG CYS A 84 -3.324 2.613 -11.798 1.00 66.39 S ATOM 1297 HA CYS A 84 -5.801 1.786 -14.081 1.00 0.00 H ATOM 1298 HB2 CYS A 84 -5.604 3.088 -11.316 1.00 0.00 H ATOM 1299 HB3 CYS A 84 -5.092 3.791 -12.868 1.00 0.00 H ATOM 1300 HG CYS A 84 -3.237 1.506 -10.978 1.00 0.00 H ATOM 1301 H CYS A 84 -7.668 1.290 -11.990 1.00 0.00 H ATOM 1302 N HIS A 85 -5.677 -0.659 -12.290 1.00 72.77 N ATOM 1303 CA HIS A 85 -6.617 -1.510 -13.046 1.00 79.34 C ATOM 1304 C HIS A 85 -7.861 -1.054 -13.827 1.00 81.36 C ATOM 1305 O HIS A 85 -8.988 -1.344 -13.417 1.00 82.77 O ATOM 1306 CB HIS A 85 -6.961 -2.746 -12.188 1.00 82.74 C ATOM 1307 CG HIS A 85 -7.106 -4.003 -12.984 1.00 94.16 C ATOM 1308 ND1 HIS A 85 -6.100 -4.490 -13.794 1.00101.49 N ATOM 1309 CD2 HIS A 85 -8.137 -4.873 -13.102 1.00101.65 C ATOM 1310 CE1 HIS A 85 -6.509 -5.600 -14.382 1.00111.71 C ATOM 1311 NE2 HIS A 85 -7.740 -5.856 -13.977 1.00113.05 N ATOM 1312 HA HIS A 85 -5.992 -1.624 -13.932 1.00 0.00 H ATOM 1313 HB2 HIS A 85 -6.166 -2.890 -11.456 1.00 0.00 H ATOM 1314 HB3 HIS A 85 -7.900 -2.556 -11.669 1.00 0.00 H ATOM 1315 HD2 HIS A 85 -9.101 -4.806 -12.598 1.00 0.00 H ATOM 1316 HE1 HIS A 85 -5.930 -6.202 -15.082 1.00 0.00 H ATOM 1317 H HIS A 85 -5.474 -0.976 -11.320 1.00 0.00 H ATOM 1318 N GLU A 86 -7.634 -0.448 -14.989 1.00 83.98 N ATOM 1319 CA GLU A 86 -8.651 -0.233 -16.036 1.00 90.71 C ATOM 1320 C GLU A 86 -7.988 0.457 -17.219 1.00 94.00 C ATOM 1321 O GLU A 86 -8.133 0.025 -18.376 1.00102.86 O ATOM 1322 CB GLU A 86 -9.837 0.609 -15.549 1.00 88.63 C ATOM 1323 CG GLU A 86 -11.149 -0.161 -15.451 1.00 94.54 C ATOM 1324 CD GLU A 86 -12.262 0.633 -14.780 1.00 92.78 C ATOM 1325 OE1 GLU A 86 -12.152 1.877 -14.690 1.00 90.91 O ATOM 1326 OE2 GLU A 86 -13.253 0.009 -14.343 1.00 95.97 O ATOM 1327 HA GLU A 86 -9.051 -1.207 -16.320 1.00 0.00 H ATOM 1328 HB2 GLU A 86 -9.596 1.002 -14.561 1.00 0.00 H ATOM 1329 HB3 GLU A 86 -9.977 1.437 -16.243 1.00 0.00 H ATOM 1330 HG2 GLU A 86 -11.471 -0.427 -16.458 1.00 0.00 H ATOM 1331 HG3 GLU A 86 -10.975 -1.070 -14.875 1.00 0.00 H ATOM 1332 H GLU A 86 -6.671 -0.101 -15.173 1.00 0.00 H ATOM 1333 N PHE A 87 -7.259 1.531 -16.899 1.00 88.09 N ATOM 1334 CA PHE A 87 -6.472 2.308 -17.851 1.00 90.78 C ATOM 1335 C PHE A 87 -5.530 1.427 -18.678 1.00 95.17 C ATOM 1336 O PHE A 87 -5.241 0.163 -18.163 1.00 94.46 O ATOM 1337 CB PHE A 87 -5.670 3.374 -17.089 1.00 84.68 C ATOM 1338 CG PHE A 87 -4.980 4.373 -17.976 1.00 89.02 C ATOM 1339 CD1 PHE A 87 -5.682 5.447 -18.519 1.00 95.00 C ATOM 1340 CD2 PHE A 87 -3.624 4.245 -18.265 1.00 89.40 C ATOM 1341 CE1 PHE A 87 -5.044 6.375 -19.346 1.00100.96 C ATOM 1342 CE2 PHE A 87 -2.978 5.169 -19.089 1.00 94.30 C ATOM 1343 CZ PHE A 87 -3.690 6.234 -19.630 1.00 99.75 C ATOM 1344 HA PHE A 87 -7.159 2.784 -18.551 1.00 0.00 H ATOM 1345 HB2 PHE A 87 -6.353 3.913 -16.433 1.00 0.00 H ATOM 1346 HB3 PHE A 87 -4.914 2.869 -16.488 1.00 0.00 H ATOM 1347 HD2 PHE A 87 -3.060 3.413 -17.843 1.00 0.00 H ATOM 1348 HE2 PHE A 87 -1.916 5.056 -19.308 1.00 0.00 H ATOM 1349 HZ PHE A 87 -3.188 6.956 -20.275 1.00 0.00 H ATOM 1350 HE1 PHE A 87 -5.607 7.208 -19.768 1.00 0.00 H ATOM 1351 HD1 PHE A 87 -6.742 5.565 -18.296 1.00 0.00 H ATOM 1352 H PHE A 87 -7.252 1.833 -15.904 1.00 0.00 H TER 1353 PHE A 87 ATOM 1354 N MET B 0 5.829 6.993 -6.954 1.00 54.62 N ATOM 1355 CA MET B 0 6.936 7.654 -6.186 1.00 53.89 C ATOM 1356 C MET B 0 6.614 7.909 -4.716 1.00 53.12 C ATOM 1357 O MET B 0 7.470 7.675 -3.856 1.00 53.83 O ATOM 1358 CB MET B 0 7.402 8.957 -6.880 1.00 54.49 C ATOM 1359 HA MET B 0 7.755 6.935 -6.190 1.00 0.00 H ATOM 1360 HB2 MET B 0 7.765 8.724 -7.881 1.00 0.00 H ATOM 1361 HB3 MET B 0 6.564 9.651 -6.948 1.00 0.00 H ATOM 1362 HN3 MET B 0 4.982 7.596 -6.927 1.00 0.00 H ATOM 1363 HN2 MET B 0 5.613 6.071 -6.524 1.00 0.00 H ATOM 1364 HN1 MET B 0 6.127 6.856 -7.941 1.00 0.00 H ATOM 1365 N SER B 1 5.410 8.399 -4.412 1.00 55.43 N ATOM 1366 CA SER B 1 5.038 8.634 -3.012 1.00 52.24 C ATOM 1367 C SER B 1 4.772 7.302 -2.324 1.00 50.24 C ATOM 1368 O SER B 1 4.488 6.303 -2.993 1.00 47.74 O ATOM 1369 CB SER B 1 3.819 9.552 -2.903 1.00 48.62 C ATOM 1370 OG SER B 1 2.599 8.816 -2.881 1.00 42.63 O ATOM 1371 HA SER B 1 5.867 9.136 -2.514 1.00 0.00 H ATOM 1372 HB2 SER B 1 3.808 10.227 -3.759 1.00 0.00 H ATOM 1373 HB3 SER B 1 3.897 10.133 -1.984 1.00 0.00 H ATOM 1374 HG SER B 1 1.837 9.444 -2.810 1.00 0.00 H ATOM 1375 H SER B 1 4.733 8.615 -5.171 1.00 0.00 H ATOM 1376 N GLU B 2 4.836 7.274 -0.997 1.00 53.19 N ATOM 1377 CA GLU B 2 4.566 6.022 -0.273 1.00 54.20 C ATOM 1378 C GLU B 2 3.123 5.527 -0.459 1.00 48.03 C ATOM 1379 O GLU B 2 2.887 4.315 -0.487 1.00 47.84 O ATOM 1380 CB GLU B 2 4.943 6.140 1.207 1.00 63.24 C ATOM 1381 CG GLU B 2 6.437 6.354 1.446 1.00 75.50 C ATOM 1382 CD GLU B 2 7.294 5.163 1.026 1.00 82.51 C ATOM 1383 OE1 GLU B 2 6.872 4.007 1.240 1.00 82.14 O ATOM 1384 OE2 GLU B 2 8.405 5.384 0.495 1.00 91.37 O ATOM 1385 HA GLU B 2 5.207 5.260 -0.717 1.00 0.00 H ATOM 1386 HB2 GLU B 2 4.402 6.984 1.634 1.00 0.00 H ATOM 1387 HB3 GLU B 2 4.641 5.223 1.713 1.00 0.00 H ATOM 1388 HG2 GLU B 2 6.757 7.228 0.878 1.00 0.00 H ATOM 1389 HG3 GLU B 2 6.595 6.536 2.509 1.00 0.00 H ATOM 1390 H GLU B 2 5.077 8.138 -0.470 1.00 0.00 H ATOM 1391 N LEU B 3 2.178 6.461 -0.614 1.00 45.06 N ATOM 1392 CA LEU B 3 0.784 6.129 -0.948 1.00 43.22 C ATOM 1393 C LEU B 3 0.684 5.516 -2.345 1.00 40.89 C ATOM 1394 O LEU B 3 -0.012 4.523 -2.552 1.00 41.96 O ATOM 1395 CB LEU B 3 -0.107 7.379 -0.891 1.00 45.30 C ATOM 1396 CG LEU B 3 -1.518 7.434 -0.298 1.00 52.00 C ATOM 1397 CD1 LEU B 3 -2.272 8.663 -0.797 1.00 53.87 C ATOM 1398 CD2 LEU B 3 -2.377 6.154 -0.454 1.00 53.97 C ATOM 1399 HA LEU B 3 0.441 5.404 -0.210 1.00 0.00 H ATOM 1400 HB2 LEU B 3 0.469 8.120 -0.336 1.00 0.00 H ATOM 1401 HB3 LEU B 3 -0.215 7.705 -1.926 1.00 0.00 H ATOM 1402 HG LEU B 3 -1.350 7.509 0.776 1.00 0.00 H ATOM 1403 HD21 LEU B 3 -2.504 5.930 -1.513 1.00 0.00 H ATOM 1404 HD22 LEU B 3 -1.876 5.320 0.037 1.00 0.00 H ATOM 1405 HD23 LEU B 3 -3.353 6.315 0.004 1.00 0.00 H ATOM 1406 HD11 LEU B 3 -1.733 9.563 -0.502 1.00 0.00 H ATOM 1407 HD12 LEU B 3 -2.350 8.624 -1.884 1.00 0.00 H ATOM 1408 HD13 LEU B 3 -3.271 8.677 -0.360 1.00 0.00 H ATOM 1409 H LEU B 3 2.439 7.461 -0.494 1.00 0.00 H ATOM 1410 N GLU B 4 1.367 6.114 -3.315 1.00 40.03 N ATOM 1411 CA GLU B 4 1.337 5.604 -4.688 1.00 41.15 C ATOM 1412 C GLU B 4 1.967 4.216 -4.797 1.00 42.90 C ATOM 1413 O GLU B 4 1.476 3.365 -5.545 1.00 45.25 O ATOM 1414 CB GLU B 4 1.992 6.605 -5.640 1.00 43.47 C ATOM 1415 CG GLU B 4 1.138 7.857 -5.805 1.00 44.13 C ATOM 1416 CD GLU B 4 1.845 9.008 -6.497 1.00 47.58 C ATOM 1417 OE1 GLU B 4 3.053 9.218 -6.264 1.00 48.18 O ATOM 1418 OE2 GLU B 4 1.171 9.719 -7.270 1.00 50.81 O ATOM 1419 HA GLU B 4 0.294 5.489 -4.983 1.00 0.00 H ATOM 1420 HB2 GLU B 4 2.966 6.890 -5.241 1.00 0.00 H ATOM 1421 HB3 GLU B 4 2.124 6.134 -6.614 1.00 0.00 H ATOM 1422 HG2 GLU B 4 0.257 7.595 -6.391 1.00 0.00 H ATOM 1423 HG3 GLU B 4 0.828 8.192 -4.815 1.00 0.00 H ATOM 1424 H GLU B 4 1.933 6.959 -3.096 1.00 0.00 H ATOM 1425 N LYS B 5 3.035 3.985 -4.034 1.00 43.45 N ATOM 1426 CA LYS B 5 3.632 2.649 -3.931 1.00 47.37 C ATOM 1427 C LYS B 5 2.666 1.618 -3.341 1.00 45.92 C ATOM 1428 O LYS B 5 2.687 0.455 -3.733 1.00 49.36 O ATOM 1429 CB LYS B 5 4.909 2.683 -3.093 1.00 52.94 C ATOM 1430 CG LYS B 5 6.086 3.356 -3.767 1.00 60.06 C ATOM 1431 CD LYS B 5 7.267 3.381 -2.818 1.00 71.83 C ATOM 1432 CE LYS B 5 8.253 4.480 -3.170 1.00 79.94 C ATOM 1433 HA LYS B 5 3.870 2.343 -4.950 1.00 0.00 H ATOM 1434 HB2 LYS B 5 4.695 3.218 -2.168 1.00 0.00 H ATOM 1435 HB3 LYS B 5 5.191 1.656 -2.861 1.00 0.00 H ATOM 1436 HG2 LYS B 5 6.355 2.803 -4.667 1.00 0.00 H ATOM 1437 HG3 LYS B 5 5.815 4.377 -4.037 1.00 0.00 H ATOM 1438 HD2 LYS B 5 6.902 3.546 -1.804 1.00 0.00 H ATOM 1439 HD3 LYS B 5 7.778 2.420 -2.866 1.00 0.00 H ATOM 1440 HE2 LYS B 5 8.629 4.319 -4.180 1.00 0.00 H ATOM 1441 HE3 LYS B 5 7.752 5.447 -3.118 1.00 0.00 H ATOM 1442 H LYS B 5 3.455 4.771 -3.498 1.00 0.00 H ATOM 1443 N ALA B 6 1.831 2.044 -2.397 1.00 45.81 N ATOM 1444 CA ALA B 6 0.822 1.165 -1.790 1.00 45.33 C ATOM 1445 C ALA B 6 -0.284 0.823 -2.769 1.00 43.12 C ATOM 1446 O ALA B 6 -0.738 -0.322 -2.818 1.00 43.42 O ATOM 1447 CB ALA B 6 0.232 1.812 -0.544 1.00 47.19 C ATOM 1448 HA ALA B 6 1.322 0.238 -1.510 1.00 0.00 H ATOM 1449 HB1 ALA B 6 1.026 1.994 0.180 1.00 0.00 H ATOM 1450 HB2 ALA B 6 -0.238 2.758 -0.815 1.00 0.00 H ATOM 1451 HB3 ALA B 6 -0.513 1.146 -0.109 1.00 0.00 H ATOM 1452 H ALA B 6 1.894 3.032 -2.078 1.00 0.00 H ATOM 1453 N VAL B 7 -0.716 1.821 -3.544 1.00 43.25 N ATOM 1454 CA VAL B 7 -1.752 1.618 -4.547 1.00 43.06 C ATOM 1455 C VAL B 7 -1.308 0.570 -5.568 1.00 43.85 C ATOM 1456 O VAL B 7 -2.054 -0.369 -5.855 1.00 43.35 O ATOM 1457 CB VAL B 7 -2.152 2.934 -5.230 1.00 46.00 C ATOM 1458 CG1 VAL B 7 -3.021 2.657 -6.448 1.00 49.15 C ATOM 1459 CG2 VAL B 7 -2.889 3.852 -4.232 1.00 45.90 C ATOM 1460 HA VAL B 7 -2.641 1.245 -4.039 1.00 0.00 H ATOM 1461 HB VAL B 7 -1.248 3.443 -5.564 1.00 0.00 H ATOM 1462 HG11 VAL B 7 -2.466 2.043 -7.157 1.00 0.00 H ATOM 1463 HG12 VAL B 7 -3.923 2.129 -6.137 1.00 0.00 H ATOM 1464 HG13 VAL B 7 -3.295 3.601 -6.919 1.00 0.00 H ATOM 1465 HG21 VAL B 7 -3.787 3.349 -3.873 1.00 0.00 H ATOM 1466 HG22 VAL B 7 -2.233 4.072 -3.390 1.00 0.00 H ATOM 1467 HG23 VAL B 7 -3.166 4.781 -4.731 1.00 0.00 H ATOM 1468 H VAL B 7 -0.302 2.768 -3.428 1.00 0.00 H ATOM 1469 N VAL B 8 -0.092 0.712 -6.094 1.00 45.33 N ATOM 1470 CA VAL B 8 0.441 -0.275 -7.044 1.00 47.90 C ATOM 1471 C VAL B 8 0.662 -1.669 -6.428 1.00 46.36 C ATOM 1472 O VAL B 8 0.432 -2.681 -7.091 1.00 47.62 O ATOM 1473 CB VAL B 8 1.710 0.227 -7.779 1.00 53.89 C ATOM 1474 CG1 VAL B 8 1.480 1.620 -8.416 1.00 56.07 C ATOM 1475 CG2 VAL B 8 2.905 0.258 -6.856 1.00 57.05 C ATOM 1476 HA VAL B 8 -0.343 -0.393 -7.792 1.00 0.00 H ATOM 1477 HB VAL B 8 1.919 -0.482 -8.580 1.00 0.00 H ATOM 1478 HG11 VAL B 8 0.664 1.559 -9.136 1.00 0.00 H ATOM 1479 HG12 VAL B 8 1.225 2.337 -7.636 1.00 0.00 H ATOM 1480 HG13 VAL B 8 2.390 1.941 -8.923 1.00 0.00 H ATOM 1481 HG21 VAL B 8 2.700 0.928 -6.021 1.00 0.00 H ATOM 1482 HG22 VAL B 8 3.097 -0.746 -6.479 1.00 0.00 H ATOM 1483 HG23 VAL B 8 3.777 0.615 -7.404 1.00 0.00 H ATOM 1484 H VAL B 8 0.488 1.533 -5.829 1.00 0.00 H ATOM 1485 N ALA B 9 1.111 -1.722 -5.176 1.00 44.66 N ATOM 1486 CA ALA B 9 1.279 -3.001 -4.469 1.00 45.12 C ATOM 1487 C ALA B 9 -0.040 -3.756 -4.292 1.00 42.25 C ATOM 1488 O ALA B 9 -0.077 -4.978 -4.438 1.00 42.12 O ATOM 1489 CB ALA B 9 1.957 -2.800 -3.124 1.00 47.35 C ATOM 1490 HA ALA B 9 1.921 -3.617 -5.099 1.00 0.00 H ATOM 1491 HB1 ALA B 9 2.940 -2.355 -3.277 1.00 0.00 H ATOM 1492 HB2 ALA B 9 1.349 -2.138 -2.507 1.00 0.00 H ATOM 1493 HB3 ALA B 9 2.067 -3.763 -2.626 1.00 0.00 H ATOM 1494 H ALA B 9 1.349 -0.837 -4.685 1.00 0.00 H ATOM 1495 N LEU B 10 -1.113 -3.037 -3.971 1.00 40.44 N ATOM 1496 CA LEU B 10 -2.442 -3.661 -3.886 1.00 40.61 C ATOM 1497 C LEU B 10 -2.835 -4.310 -5.235 1.00 40.90 C ATOM 1498 O LEU B 10 -3.266 -5.477 -5.276 1.00 41.46 O ATOM 1499 CB LEU B 10 -3.498 -2.654 -3.405 1.00 41.88 C ATOM 1500 CG LEU B 10 -3.426 -2.089 -1.978 1.00 44.56 C ATOM 1501 CD1 LEU B 10 -4.271 -0.809 -1.837 1.00 46.58 C ATOM 1502 CD2 LEU B 10 -3.832 -3.088 -0.904 1.00 48.74 C ATOM 1503 HA LEU B 10 -2.397 -4.457 -3.143 1.00 0.00 H ATOM 1504 HB2 LEU B 10 -3.453 -1.802 -4.084 1.00 0.00 H ATOM 1505 HB3 LEU B 10 -4.467 -3.143 -3.502 1.00 0.00 H ATOM 1506 HG LEU B 10 -2.374 -1.853 -1.818 1.00 0.00 H ATOM 1507 HD21 LEU B 10 -4.860 -3.407 -1.076 1.00 0.00 H ATOM 1508 HD22 LEU B 10 -3.170 -3.953 -0.945 1.00 0.00 H ATOM 1509 HD23 LEU B 10 -3.756 -2.617 0.076 1.00 0.00 H ATOM 1510 HD11 LEU B 10 -3.900 -0.052 -2.528 1.00 0.00 H ATOM 1511 HD12 LEU B 10 -5.312 -1.035 -2.068 1.00 0.00 H ATOM 1512 HD13 LEU B 10 -4.197 -0.437 -0.815 1.00 0.00 H ATOM 1513 H LEU B 10 -1.010 -2.020 -3.778 1.00 0.00 H ATOM 1514 N ILE B 11 -2.636 -3.577 -6.333 1.00 41.28 N ATOM 1515 CA ILE B 11 -2.929 -4.080 -7.682 1.00 43.21 C ATOM 1516 C ILE B 11 -2.043 -5.294 -8.010 1.00 43.37 C ATOM 1517 O ILE B 11 -2.535 -6.340 -8.445 1.00 43.74 O ATOM 1518 CB ILE B 11 -2.768 -2.957 -8.758 1.00 47.59 C ATOM 1519 CG1 ILE B 11 -3.760 -1.815 -8.494 1.00 47.29 C ATOM 1520 CG2 ILE B 11 -2.927 -3.520 -10.183 1.00 51.99 C ATOM 1521 CD1 ILE B 11 -3.539 -0.600 -9.352 1.00 54.28 C ATOM 1522 HA ILE B 11 -3.970 -4.402 -7.702 1.00 0.00 H ATOM 1523 HB ILE B 11 -1.758 -2.554 -8.681 1.00 0.00 H ATOM 1524 HG12 ILE B 11 -4.768 -2.187 -8.679 1.00 0.00 H ATOM 1525 HG13 ILE B 11 -3.670 -1.518 -7.449 1.00 0.00 H ATOM 1526 HD11 ILE B 11 -2.539 -0.206 -9.171 1.00 0.00 H ATOM 1527 HD12 ILE B 11 -3.638 -0.875 -10.402 1.00 0.00 H ATOM 1528 HD13 ILE B 11 -4.281 0.159 -9.103 1.00 0.00 H ATOM 1529 HG21 ILE B 11 -2.167 -4.281 -10.359 1.00 0.00 H ATOM 1530 HG22 ILE B 11 -3.917 -3.963 -10.289 1.00 0.00 H ATOM 1531 HG23 ILE B 11 -2.809 -2.713 -10.906 1.00 0.00 H ATOM 1532 H ILE B 11 -2.259 -2.613 -6.229 1.00 0.00 H ATOM 1533 N ASP B 12 -0.746 -5.147 -7.758 1.00 45.14 N ATOM 1534 CA ASP B 12 0.258 -6.173 -8.044 1.00 48.18 C ATOM 1535 C ASP B 12 -0.059 -7.485 -7.320 1.00 45.82 C ATOM 1536 O ASP B 12 -0.092 -8.555 -7.943 1.00 46.51 O ATOM 1537 CB ASP B 12 1.648 -5.647 -7.647 1.00 52.34 C ATOM 1538 CG ASP B 12 2.781 -6.546 -8.102 1.00 61.73 C ATOM 1539 OD1 ASP B 12 2.611 -7.308 -9.079 1.00 65.21 O ATOM 1540 OD2 ASP B 12 3.868 -6.470 -7.488 1.00 69.43 O ATOM 1541 HA ASP B 12 0.246 -6.388 -9.113 1.00 0.00 H ATOM 1542 HB2 ASP B 12 1.786 -4.662 -8.094 1.00 0.00 H ATOM 1543 HB3 ASP B 12 1.689 -5.561 -6.561 1.00 0.00 H ATOM 1544 H ASP B 12 -0.427 -4.253 -7.334 1.00 0.00 H ATOM 1545 N VAL B 13 -0.305 -7.416 -6.014 1.00 43.35 N ATOM 1546 CA VAL B 13 -0.462 -8.654 -5.243 1.00 44.29 C ATOM 1547 C VAL B 13 -1.789 -9.339 -5.548 1.00 41.43 C ATOM 1548 O VAL B 13 -1.834 -10.555 -5.660 1.00 42.05 O ATOM 1549 CB VAL B 13 -0.278 -8.459 -3.729 1.00 46.18 C ATOM 1550 CG1 VAL B 13 -0.403 -9.794 -3.001 1.00 48.28 C ATOM 1551 CG2 VAL B 13 1.081 -7.829 -3.447 1.00 52.07 C ATOM 1552 HA VAL B 13 0.347 -9.309 -5.568 1.00 0.00 H ATOM 1553 HB VAL B 13 -1.059 -7.793 -3.364 1.00 0.00 H ATOM 1554 HG11 VAL B 13 -1.390 -10.217 -3.187 1.00 0.00 H ATOM 1555 HG12 VAL B 13 0.362 -10.479 -3.367 1.00 0.00 H ATOM 1556 HG13 VAL B 13 -0.270 -9.637 -1.931 1.00 0.00 H ATOM 1557 HG21 VAL B 13 1.868 -8.482 -3.824 1.00 0.00 H ATOM 1558 HG22 VAL B 13 1.141 -6.861 -3.944 1.00 0.00 H ATOM 1559 HG23 VAL B 13 1.202 -7.695 -2.372 1.00 0.00 H ATOM 1560 H VAL B 13 -0.385 -6.492 -5.544 1.00 0.00 H ATOM 1561 N PHE B 14 -2.858 -8.566 -5.715 1.00 40.33 N ATOM 1562 CA PHE B 14 -4.127 -9.167 -6.128 1.00 40.17 C ATOM 1563 C PHE B 14 -3.950 -10.032 -7.381 1.00 40.59 C ATOM 1564 O PHE B 14 -4.337 -11.205 -7.400 1.00 39.07 O ATOM 1565 CB PHE B 14 -5.210 -8.120 -6.388 1.00 41.37 C ATOM 1566 CG PHE B 14 -6.500 -8.719 -6.894 1.00 44.68 C ATOM 1567 CD1 PHE B 14 -7.434 -9.244 -6.002 1.00 46.18 C ATOM 1568 CD2 PHE B 14 -6.776 -8.769 -8.265 1.00 45.19 C ATOM 1569 CE1 PHE B 14 -8.625 -9.797 -6.456 1.00 49.50 C ATOM 1570 CE2 PHE B 14 -7.960 -9.330 -8.733 1.00 50.39 C ATOM 1571 CZ PHE B 14 -8.885 -9.853 -7.825 1.00 53.06 C ATOM 1572 HA PHE B 14 -4.450 -9.793 -5.296 1.00 0.00 H ATOM 1573 HB2 PHE B 14 -5.414 -7.592 -5.457 1.00 0.00 H ATOM 1574 HB3 PHE B 14 -4.840 -7.414 -7.131 1.00 0.00 H ATOM 1575 HD2 PHE B 14 -6.055 -8.364 -8.975 1.00 0.00 H ATOM 1576 HE2 PHE B 14 -8.165 -9.362 -9.803 1.00 0.00 H ATOM 1577 HZ PHE B 14 -9.809 -10.304 -8.187 1.00 0.00 H ATOM 1578 HE1 PHE B 14 -9.354 -10.186 -5.745 1.00 0.00 H ATOM 1579 HD1 PHE B 14 -7.227 -9.220 -4.932 1.00 0.00 H ATOM 1580 H PHE B 14 -2.793 -7.541 -5.553 1.00 0.00 H ATOM 1581 N HIS B 15 -3.371 -9.437 -8.424 1.00 42.31 N ATOM 1582 CA HIS B 15 -3.237 -10.107 -9.708 1.00 45.30 C ATOM 1583 C HIS B 15 -2.224 -11.249 -9.725 1.00 46.11 C ATOM 1584 O HIS B 15 -2.326 -12.156 -10.552 1.00 47.80 O ATOM 1585 CB HIS B 15 -2.946 -9.080 -10.817 1.00 50.51 C ATOM 1586 CG HIS B 15 -4.106 -8.184 -11.101 1.00 53.44 C ATOM 1587 ND1 HIS B 15 -4.328 -7.015 -10.404 1.00 54.10 N ATOM 1588 CD2 HIS B 15 -5.143 -8.313 -11.959 1.00 59.61 C ATOM 1589 CE1 HIS B 15 -5.434 -6.444 -10.846 1.00 58.45 C ATOM 1590 NE2 HIS B 15 -5.947 -7.212 -11.791 1.00 63.77 N ATOM 1591 HA HIS B 15 -4.197 -10.586 -9.899 1.00 0.00 H ATOM 1592 HB2 HIS B 15 -2.100 -8.466 -10.509 1.00 0.00 H ATOM 1593 HB3 HIS B 15 -2.690 -9.617 -11.730 1.00 0.00 H ATOM 1594 HD2 HIS B 15 -5.310 -9.136 -12.654 1.00 0.00 H ATOM 1595 HE1 HIS B 15 -5.852 -5.501 -10.492 1.00 0.00 H ATOM 1596 H HIS B 15 -3.006 -8.469 -8.317 1.00 0.00 H ATOM 1597 N GLN B 16 -1.250 -11.208 -8.821 1.00 46.16 N ATOM 1598 CA GLN B 16 -0.288 -12.293 -8.692 1.00 49.75 C ATOM 1599 C GLN B 16 -1.022 -13.568 -8.293 1.00 46.89 C ATOM 1600 O GLN B 16 -0.622 -14.665 -8.650 1.00 48.58 O ATOM 1601 CB GLN B 16 0.768 -11.949 -7.640 1.00 52.67 C ATOM 1602 CG GLN B 16 1.914 -11.101 -8.178 1.00 59.57 C ATOM 1603 CD GLN B 16 2.883 -10.634 -7.098 1.00 64.11 C ATOM 1604 OE1 GLN B 16 2.853 -11.110 -5.958 1.00 67.50 O ATOM 1605 NE2 GLN B 16 3.748 -9.690 -7.458 1.00 70.39 N ATOM 1606 HA GLN B 16 0.214 -12.442 -9.648 1.00 0.00 H ATOM 1607 HB2 GLN B 16 0.284 -11.401 -6.832 1.00 0.00 H ATOM 1608 HB3 GLN B 16 1.181 -12.879 -7.250 1.00 0.00 H ATOM 1609 HG2 GLN B 16 2.468 -11.692 -8.907 1.00 0.00 H ATOM 1610 HG3 GLN B 16 1.493 -10.223 -8.668 1.00 0.00 H ATOM 1611 HE22 GLN B 16 3.737 -9.318 -8.429 1.00 0.00 H ATOM 1612 HE21 GLN B 16 4.435 -9.324 -6.768 1.00 0.00 H ATOM 1613 H GLN B 16 -1.174 -10.383 -8.192 1.00 0.00 H ATOM 1614 N TYR B 17 -2.096 -13.392 -7.529 1.00 40.06 N ATOM 1615 CA TYR B 17 -2.888 -14.503 -7.018 1.00 37.87 C ATOM 1616 C TYR B 17 -4.091 -14.783 -7.900 1.00 38.51 C ATOM 1617 O TYR B 17 -4.367 -15.944 -8.210 1.00 39.66 O ATOM 1618 CB TYR B 17 -3.283 -14.234 -5.564 1.00 35.34 C ATOM 1619 CG TYR B 17 -2.112 -14.499 -4.632 1.00 35.02 C ATOM 1620 CD1 TYR B 17 -1.215 -13.490 -4.298 1.00 35.34 C ATOM 1621 CD2 TYR B 17 -1.881 -15.783 -4.134 1.00 34.56 C ATOM 1622 CE1 TYR B 17 -0.117 -13.761 -3.459 1.00 38.01 C ATOM 1623 CE2 TYR B 17 -0.804 -16.057 -3.318 1.00 36.08 C ATOM 1624 CZ TYR B 17 0.074 -15.047 -2.987 1.00 36.69 C ATOM 1625 OH TYR B 17 1.145 -15.343 -2.183 1.00 38.00 O ATOM 1626 HA TYR B 17 -2.280 -15.407 -7.040 1.00 0.00 H ATOM 1627 HB3 TYR B 17 -4.112 -14.887 -5.292 1.00 0.00 H ATOM 1628 HB2 TYR B 17 -3.593 -13.194 -5.463 1.00 0.00 H ATOM 1629 HD2 TYR B 17 -2.568 -16.587 -4.397 1.00 0.00 H ATOM 1630 HE2 TYR B 17 -0.648 -17.066 -2.937 1.00 0.00 H ATOM 1631 HE1 TYR B 17 0.575 -12.965 -3.184 1.00 0.00 H ATOM 1632 HD1 TYR B 17 -1.363 -12.483 -4.688 1.00 0.00 H ATOM 1633 HH TYR B 17 1.681 -14.524 -2.034 1.00 0.00 H ATOM 1634 H TYR B 17 -2.382 -12.422 -7.286 1.00 0.00 H ATOM 1635 N SER B 18 -4.797 -13.735 -8.320 1.00 38.23 N ATOM 1636 CA SER B 18 -6.022 -13.930 -9.116 1.00 39.36 C ATOM 1637 C SER B 18 -5.731 -14.547 -10.483 1.00 42.16 C ATOM 1638 O SER B 18 -6.595 -15.229 -11.063 1.00 43.51 O ATOM 1639 CB SER B 18 -6.766 -12.606 -9.311 1.00 39.06 C ATOM 1640 OG SER B 18 -6.107 -11.816 -10.282 1.00 41.86 O ATOM 1641 HA SER B 18 -6.648 -14.623 -8.553 1.00 0.00 H ATOM 1642 HB2 SER B 18 -6.794 -12.065 -8.365 1.00 0.00 H ATOM 1643 HB3 SER B 18 -7.784 -12.810 -9.642 1.00 0.00 H ATOM 1644 HG SER B 18 -6.082 -12.305 -11.142 1.00 0.00 H ATOM 1645 H SER B 18 -4.482 -12.772 -8.085 1.00 0.00 H ATOM 1646 N GLY B 19 -4.528 -14.294 -10.993 1.00 43.99 N ATOM 1647 CA GLY B 19 -4.125 -14.758 -12.319 1.00 47.51 C ATOM 1648 C GLY B 19 -3.637 -16.194 -12.373 1.00 48.96 C ATOM 1649 O GLY B 19 -3.271 -16.696 -13.436 1.00 52.43 O ATOM 1650 HA3 GLY B 19 -3.321 -14.113 -12.674 1.00 0.00 H ATOM 1651 HA2 GLY B 19 -4.983 -14.666 -12.985 1.00 0.00 H ATOM 1652 H GLY B 19 -3.849 -13.746 -10.427 1.00 0.00 H ATOM 1653 N ARG B 20 -3.645 -16.874 -11.236 1.00 46.52 N ATOM 1654 CA ARG B 20 -3.148 -18.238 -11.177 1.00 48.56 C ATOM 1655 C ARG B 20 -4.041 -19.218 -11.938 1.00 51.00 C ATOM 1656 O ARG B 20 -3.565 -19.966 -12.773 1.00 54.60 O ATOM 1657 CB ARG B 20 -2.989 -18.668 -9.717 1.00 46.05 C ATOM 1658 CG ARG B 20 -1.734 -18.101 -9.078 1.00 44.89 C ATOM 1659 CD ARG B 20 -1.735 -18.368 -7.605 1.00 41.03 C ATOM 1660 NE ARG B 20 -0.513 -17.871 -7.001 1.00 41.86 N ATOM 1661 CZ ARG B 20 -0.030 -18.302 -5.839 1.00 43.99 C ATOM 1662 NH1 ARG B 20 -0.659 -19.258 -5.161 1.00 42.05 N ATOM 1663 NH2 ARG B 20 1.092 -17.786 -5.360 1.00 43.31 N ATOM 1664 HA ARG B 20 -2.175 -18.258 -11.669 1.00 0.00 H ATOM 1665 HB2 ARG B 20 -3.856 -18.322 -9.154 1.00 0.00 H ATOM 1666 HB3 ARG B 20 -2.942 -19.756 -9.676 1.00 0.00 H ATOM 1667 HG2 ARG B 20 -0.858 -18.569 -9.528 1.00 0.00 H ATOM 1668 HG3 ARG B 20 -1.698 -17.025 -9.249 1.00 0.00 H ATOM 1669 HD2 ARG B 20 -1.810 -19.442 -7.434 1.00 0.00 H ATOM 1670 HD3 ARG B 20 -2.590 -17.869 -7.150 1.00 0.00 H ATOM 1671 HE ARG B 20 0.017 -17.133 -7.507 1.00 0.00 H ATOM 1672 HH12 ARG B 20 -0.275 -19.590 -4.253 1.00 0.00 H ATOM 1673 HH11 ARG B 20 -1.534 -19.673 -5.539 1.00 0.00 H ATOM 1674 HH22 ARG B 20 1.472 -18.121 -4.452 1.00 0.00 H ATOM 1675 HH21 ARG B 20 1.593 -17.046 -5.892 1.00 0.00 H ATOM 1676 H ARG B 20 -4.012 -16.425 -10.373 1.00 0.00 H ATOM 1677 N GLU B 21 -5.338 -19.195 -11.654 1.00 49.78 N ATOM 1678 CA GLU B 21 -6.257 -20.221 -12.159 1.00 53.24 C ATOM 1679 C GLU B 21 -7.588 -19.606 -12.571 1.00 52.21 C ATOM 1680 O GLU B 21 -8.006 -18.569 -12.027 1.00 49.13 O ATOM 1681 CB GLU B 21 -6.502 -21.312 -11.101 1.00 52.87 C ATOM 1682 CG GLU B 21 -5.230 -22.037 -10.586 1.00 56.34 C ATOM 1683 CD GLU B 21 -5.523 -23.325 -9.797 1.00 57.99 C ATOM 1684 OE1 GLU B 21 -4.718 -24.282 -9.905 1.00 66.37 O ATOM 1685 OE2 GLU B 21 -6.546 -23.387 -9.072 1.00 59.73 O ATOM 1686 HA GLU B 21 -5.790 -20.674 -13.033 1.00 0.00 H ATOM 1687 HB2 GLU B 21 -6.994 -20.848 -10.246 1.00 0.00 H ATOM 1688 HB3 GLU B 21 -7.163 -22.061 -11.537 1.00 0.00 H ATOM 1689 HG2 GLU B 21 -4.610 -22.294 -11.445 1.00 0.00 H ATOM 1690 HG3 GLU B 21 -4.684 -21.353 -9.936 1.00 0.00 H ATOM 1691 H GLU B 21 -5.712 -18.429 -11.058 1.00 0.00 H ATOM 1692 N GLY B 22 -8.252 -20.247 -13.532 1.00 54.86 N ATOM 1693 CA GLY B 22 -9.558 -19.795 -14.013 1.00 55.58 C ATOM 1694 C GLY B 22 -9.562 -18.328 -14.422 1.00 54.53 C ATOM 1695 O GLY B 22 -8.638 -17.855 -15.091 1.00 55.86 O ATOM 1696 HA3 GLY B 22 -10.290 -19.937 -13.218 1.00 0.00 H ATOM 1697 HA2 GLY B 22 -9.839 -20.398 -14.876 1.00 0.00 H ATOM 1698 H GLY B 22 -7.828 -21.097 -13.955 1.00 0.00 H ATOM 1699 N ASP B 23 -10.602 -17.609 -14.012 1.00 52.89 N ATOM 1700 CA ASP B 23 -10.700 -16.187 -14.276 1.00 52.95 C ATOM 1701 C ASP B 23 -9.447 -15.510 -13.740 1.00 50.90 C ATOM 1702 O ASP B 23 -9.129 -15.641 -12.568 1.00 47.14 O ATOM 1703 CB ASP B 23 -11.934 -15.603 -13.583 1.00 51.73 C ATOM 1704 CG ASP B 23 -12.237 -14.185 -14.031 1.00 53.86 C ATOM 1705 OD1 ASP B 23 -11.289 -13.396 -14.245 1.00 53.04 O ATOM 1706 OD2 ASP B 23 -13.435 -13.860 -14.176 1.00 57.57 O ATOM 1707 HA ASP B 23 -10.792 -16.019 -15.349 1.00 0.00 H ATOM 1708 HB2 ASP B 23 -12.794 -16.233 -13.811 1.00 0.00 H ATOM 1709 HB3 ASP B 23 -11.762 -15.600 -12.507 1.00 0.00 H ATOM 1710 H ASP B 23 -11.367 -18.080 -13.487 1.00 0.00 H ATOM 1711 N LYS B 24 -8.722 -14.809 -14.601 1.00 53.16 N ATOM 1712 CA LYS B 24 -7.450 -14.213 -14.181 1.00 52.00 C ATOM 1713 C LYS B 24 -7.640 -12.907 -13.436 1.00 50.21 C ATOM 1714 O LYS B 24 -6.669 -12.312 -12.959 1.00 49.85 O ATOM 1715 CB LYS B 24 -6.519 -14.033 -15.383 1.00 56.14 C ATOM 1716 CG LYS B 24 -6.004 -15.359 -15.892 1.00 58.21 C ATOM 1717 CD LYS B 24 -4.867 -15.208 -16.880 1.00 63.21 C ATOM 1718 CE LYS B 24 -4.361 -16.585 -17.290 1.00 65.90 C ATOM 1719 NZ LYS B 24 -4.044 -17.408 -16.073 1.00 63.56 N ATOM 1720 HA LYS B 24 -6.985 -14.906 -13.480 1.00 0.00 H ATOM 1721 HB2 LYS B 24 -7.067 -13.535 -16.183 1.00 0.00 H ATOM 1722 HB3 LYS B 24 -5.672 -13.415 -15.085 1.00 0.00 H ATOM 1723 HG2 LYS B 24 -5.652 -15.945 -15.043 1.00 0.00 H ATOM 1724 HG3 LYS B 24 -6.823 -15.886 -16.381 1.00 0.00 H ATOM 1725 HD2 LYS B 24 -5.221 -14.674 -17.762 1.00 0.00 H ATOM 1726 HD3 LYS B 24 -4.056 -14.646 -16.417 1.00 0.00 H ATOM 1727 HE2 LYS B 24 -3.460 -16.472 -17.893 1.00 0.00 H ATOM 1728 HE3 LYS B 24 -5.128 -17.090 -17.876 1.00 0.00 H ATOM 1729 HZ1 LYS B 24 -3.310 -16.929 -15.513 1.00 0.00 H ATOM 1730 HZ2 LYS B 24 -4.903 -17.519 -15.498 1.00 0.00 H ATOM 1731 HZ3 LYS B 24 -3.700 -18.344 -16.369 1.00 0.00 H ATOM 1732 H LYS B 24 -9.057 -14.682 -15.577 1.00 0.00 H ATOM 1733 N HIS B 25 -8.895 -12.483 -13.307 1.00 49.77 N ATOM 1734 CA HIS B 25 -9.225 -11.218 -12.637 1.00 48.87 C ATOM 1735 C HIS B 25 -10.021 -11.407 -11.352 1.00 45.78 C ATOM 1736 O HIS B 25 -10.461 -10.433 -10.742 1.00 44.99 O ATOM 1737 CB HIS B 25 -10.001 -10.305 -13.592 1.00 52.28 C ATOM 1738 CG HIS B 25 -9.215 -9.884 -14.795 1.00 55.90 C ATOM 1739 ND1 HIS B 25 -8.157 -9.002 -14.720 1.00 57.56 N ATOM 1740 CD2 HIS B 25 -9.326 -10.229 -16.099 1.00 60.20 C ATOM 1741 CE1 HIS B 25 -7.652 -8.821 -15.928 1.00 62.19 C ATOM 1742 NE2 HIS B 25 -8.344 -9.554 -16.782 1.00 62.66 N ATOM 1743 HA HIS B 25 -8.276 -10.759 -12.359 1.00 0.00 H ATOM 1744 HB2 HIS B 25 -10.890 -10.837 -13.931 1.00 0.00 H ATOM 1745 HB3 HIS B 25 -10.300 -9.410 -13.046 1.00 0.00 H ATOM 1746 HD2 HIS B 25 -10.058 -10.914 -16.527 1.00 0.00 H ATOM 1747 HE1 HIS B 25 -6.809 -8.177 -16.177 1.00 0.00 H ATOM 1748 H HIS B 25 -9.666 -13.065 -13.692 1.00 0.00 H ATOM 1749 N LYS B 26 -10.222 -12.658 -10.948 1.00 44.64 N ATOM 1750 CA LYS B 26 -10.929 -12.950 -9.700 1.00 42.22 C ATOM 1751 C LYS B 26 -10.171 -14.004 -8.898 1.00 40.92 C ATOM 1752 O LYS B 26 -9.462 -14.836 -9.480 1.00 40.98 O ATOM 1753 CB LYS B 26 -12.338 -13.484 -9.985 1.00 44.55 C ATOM 1754 CG LYS B 26 -13.307 -12.488 -10.628 1.00 46.11 C ATOM 1755 CD LYS B 26 -14.590 -13.186 -11.058 1.00 49.09 C ATOM 1756 HA LYS B 26 -10.996 -12.022 -9.133 1.00 0.00 H ATOM 1757 HB2 LYS B 26 -12.244 -14.339 -10.654 1.00 0.00 H ATOM 1758 HB3 LYS B 26 -12.771 -13.810 -9.039 1.00 0.00 H ATOM 1759 HG2 LYS B 26 -13.549 -11.707 -9.907 1.00 0.00 H ATOM 1760 HG3 LYS B 26 -12.833 -12.040 -11.501 1.00 0.00 H ATOM 1761 HD2 LYS B 26 -14.353 -13.965 -11.782 1.00 0.00 H ATOM 1762 HD3 LYS B 26 -15.069 -13.632 -10.186 1.00 0.00 H ATOM 1763 H LYS B 26 -9.870 -13.444 -11.530 1.00 0.00 H ATOM 1764 N LEU B 27 -10.330 -13.961 -7.568 1.00 37.54 N ATOM 1765 CA LEU B 27 -9.732 -14.962 -6.684 1.00 36.71 C ATOM 1766 C LEU B 27 -10.734 -16.074 -6.407 1.00 37.32 C ATOM 1767 O LEU B 27 -11.796 -15.821 -5.820 1.00 38.65 O ATOM 1768 CB LEU B 27 -9.310 -14.323 -5.349 1.00 34.68 C ATOM 1769 CG LEU B 27 -8.288 -13.183 -5.381 1.00 34.65 C ATOM 1770 CD1 LEU B 27 -8.297 -12.362 -4.071 1.00 35.29 C ATOM 1771 CD2 LEU B 27 -6.929 -13.745 -5.670 1.00 33.42 C ATOM 1772 HA LEU B 27 -8.851 -15.372 -7.179 1.00 0.00 H ATOM 1773 HB2 LEU B 27 -10.213 -13.935 -4.877 1.00 0.00 H ATOM 1774 HB3 LEU B 27 -8.890 -15.116 -4.730 1.00 0.00 H ATOM 1775 HG LEU B 27 -8.563 -12.490 -6.176 1.00 0.00 H ATOM 1776 HD21 LEU B 27 -6.658 -14.457 -4.890 1.00 0.00 H ATOM 1777 HD22 LEU B 27 -6.944 -14.250 -6.636 1.00 0.00 H ATOM 1778 HD23 LEU B 27 -6.200 -12.935 -5.693 1.00 0.00 H ATOM 1779 HD11 LEU B 27 -9.286 -11.930 -3.921 1.00 0.00 H ATOM 1780 HD12 LEU B 27 -8.054 -13.015 -3.233 1.00 0.00 H ATOM 1781 HD13 LEU B 27 -7.557 -11.565 -4.138 1.00 0.00 H ATOM 1782 H LEU B 27 -10.895 -13.193 -7.152 1.00 0.00 H ATOM 1783 N LYS B 28 -10.412 -17.297 -6.813 1.00 37.75 N ATOM 1784 CA LYS B 28 -11.187 -18.455 -6.361 1.00 39.80 C ATOM 1785 C LYS B 28 -10.745 -18.735 -4.934 1.00 38.32 C ATOM 1786 O LYS B 28 -9.806 -18.097 -4.439 1.00 36.43 O ATOM 1787 CB LYS B 28 -10.969 -19.681 -7.274 1.00 42.09 C ATOM 1788 CG LYS B 28 -9.538 -20.202 -7.308 1.00 42.43 C ATOM 1789 CD LYS B 28 -9.373 -21.372 -8.288 1.00 46.40 C ATOM 1790 HA LYS B 28 -12.256 -18.246 -6.404 1.00 0.00 H ATOM 1791 HB2 LYS B 28 -11.615 -20.485 -6.923 1.00 0.00 H ATOM 1792 HB3 LYS B 28 -11.254 -19.404 -8.289 1.00 0.00 H ATOM 1793 HG2 LYS B 28 -8.876 -19.392 -7.613 1.00 0.00 H ATOM 1794 HG3 LYS B 28 -9.262 -20.539 -6.309 1.00 0.00 H ATOM 1795 HD2 LYS B 28 -10.026 -22.191 -7.987 1.00 0.00 H ATOM 1796 HD3 LYS B 28 -9.639 -21.043 -9.293 1.00 0.00 H ATOM 1797 H LYS B 28 -9.605 -17.433 -7.455 1.00 0.00 H ATOM 1798 N LYS B 29 -11.410 -19.670 -4.265 1.00 40.01 N ATOM 1799 CA LYS B 29 -11.084 -19.990 -2.869 1.00 39.26 C ATOM 1800 C LYS B 29 -9.599 -20.323 -2.597 1.00 38.81 C ATOM 1801 O LYS B 29 -9.033 -19.855 -1.600 1.00 36.41 O ATOM 1802 CB LYS B 29 -11.963 -21.124 -2.365 1.00 42.09 C ATOM 1803 CG LYS B 29 -13.371 -20.738 -2.011 1.00 41.91 C ATOM 1804 CD LYS B 29 -14.058 -21.938 -1.361 1.00 43.74 C ATOM 1805 CE LYS B 29 -15.540 -21.887 -1.523 1.00 46.30 C ATOM 1806 NZ LYS B 29 -16.197 -23.043 -0.845 1.00 48.95 N ATOM 1807 HA LYS B 29 -11.283 -19.069 -2.320 1.00 0.00 H ATOM 1808 HB2 LYS B 29 -12.008 -21.886 -3.143 1.00 0.00 H ATOM 1809 HB3 LYS B 29 -11.495 -21.543 -1.474 1.00 0.00 H ATOM 1810 HG2 LYS B 29 -13.358 -19.900 -1.314 1.00 0.00 H ATOM 1811 HG3 LYS B 29 -13.911 -20.450 -2.913 1.00 0.00 H ATOM 1812 HD2 LYS B 29 -13.684 -22.851 -1.824 1.00 0.00 H ATOM 1813 HD3 LYS B 29 -13.820 -21.947 -0.297 1.00 0.00 H ATOM 1814 HE2 LYS B 29 -15.783 -21.912 -2.585 1.00 0.00 H ATOM 1815 HE3 LYS B 29 -15.914 -20.960 -1.088 1.00 0.00 H ATOM 1816 HZ1 LYS B 29 -15.848 -23.931 -1.259 1.00 0.00 H ATOM 1817 HZ2 LYS B 29 -15.973 -23.021 0.170 1.00 0.00 H ATOM 1818 HZ3 LYS B 29 -17.227 -22.980 -0.975 1.00 0.00 H ATOM 1819 H LYS B 29 -12.178 -20.187 -4.740 1.00 0.00 H ATOM 1820 N SER B 30 -8.988 -21.150 -3.447 1.00 39.87 N ATOM 1821 CA SER B 30 -7.593 -21.556 -3.250 1.00 40.71 C ATOM 1822 C SER B 30 -6.641 -20.379 -3.443 1.00 38.50 C ATOM 1823 O SER B 30 -5.662 -20.255 -2.717 1.00 38.66 O ATOM 1824 CB SER B 30 -7.201 -22.715 -4.179 1.00 43.82 C ATOM 1825 OG SER B 30 -7.329 -22.311 -5.526 1.00 45.80 O ATOM 1826 HA SER B 30 -7.507 -21.905 -2.221 1.00 0.00 H ATOM 1827 HB2 SER B 30 -7.855 -23.566 -3.992 1.00 0.00 H ATOM 1828 HB3 SER B 30 -6.168 -23.003 -3.984 1.00 0.00 H ATOM 1829 HG SER B 30 -7.075 -23.061 -6.120 1.00 0.00 H ATOM 1830 H SER B 30 -9.513 -21.515 -4.267 1.00 0.00 H ATOM 1831 N GLU B 31 -6.945 -19.495 -4.391 1.00 38.21 N ATOM 1832 CA GLU B 31 -6.157 -18.262 -4.587 1.00 36.34 C ATOM 1833 C GLU B 31 -6.244 -17.310 -3.390 1.00 34.93 C ATOM 1834 O GLU B 31 -5.228 -16.723 -2.972 1.00 34.16 O ATOM 1835 CB GLU B 31 -6.588 -17.535 -5.873 1.00 36.69 C ATOM 1836 CG GLU B 31 -6.194 -18.289 -7.157 1.00 38.57 C ATOM 1837 CD GLU B 31 -6.863 -17.753 -8.418 1.00 39.79 C ATOM 1838 OE1 GLU B 31 -7.936 -17.120 -8.351 1.00 40.65 O ATOM 1839 OE2 GLU B 31 -6.345 -18.003 -9.512 1.00 44.94 O ATOM 1840 HA GLU B 31 -5.116 -18.571 -4.681 1.00 0.00 H ATOM 1841 HB2 GLU B 31 -7.672 -17.418 -5.858 1.00 0.00 H ATOM 1842 HB3 GLU B 31 -6.117 -16.552 -5.890 1.00 0.00 H ATOM 1843 HG2 GLU B 31 -5.114 -18.213 -7.282 1.00 0.00 H ATOM 1844 HG3 GLU B 31 -6.472 -19.336 -7.039 1.00 0.00 H ATOM 1845 H GLU B 31 -7.760 -19.678 -5.011 1.00 0.00 H ATOM 1846 N LEU B 32 -7.462 -17.137 -2.867 1.00 34.53 N ATOM 1847 CA LEU B 32 -7.717 -16.276 -1.716 1.00 34.30 C ATOM 1848 C LEU B 32 -6.967 -16.835 -0.520 1.00 33.51 C ATOM 1849 O LEU B 32 -6.307 -16.073 0.199 1.00 33.61 O ATOM 1850 CB LEU B 32 -9.219 -16.277 -1.361 1.00 35.68 C ATOM 1851 CG LEU B 32 -9.976 -15.057 -0.827 1.00 37.53 C ATOM 1852 CD1 LEU B 32 -11.185 -15.483 0.022 1.00 37.24 C ATOM 1853 CD2 LEU B 32 -9.133 -13.943 -0.159 1.00 36.30 C ATOM 1854 HA LEU B 32 -7.395 -15.263 -1.958 1.00 0.00 H ATOM 1855 HB2 LEU B 32 -9.738 -16.570 -2.274 1.00 0.00 H ATOM 1856 HB3 LEU B 32 -9.344 -17.055 -0.608 1.00 0.00 H ATOM 1857 HG LEU B 32 -10.333 -14.555 -1.726 1.00 0.00 H ATOM 1858 HD21 LEU B 32 -8.601 -14.356 0.698 1.00 0.00 H ATOM 1859 HD22 LEU B 32 -8.415 -13.551 -0.880 1.00 0.00 H ATOM 1860 HD23 LEU B 32 -9.792 -13.141 0.173 1.00 0.00 H ATOM 1861 HD11 LEU B 32 -11.866 -16.076 -0.589 1.00 0.00 H ATOM 1862 HD12 LEU B 32 -10.842 -16.078 0.868 1.00 0.00 H ATOM 1863 HD13 LEU B 32 -11.702 -14.595 0.387 1.00 0.00 H ATOM 1864 H LEU B 32 -8.264 -17.638 -3.300 1.00 0.00 H ATOM 1865 N LYS B 33 -7.060 -18.153 -0.312 1.00 35.05 N ATOM 1866 CA LYS B 33 -6.429 -18.803 0.840 1.00 36.17 C ATOM 1867 C LYS B 33 -4.902 -18.574 0.816 1.00 35.54 C ATOM 1868 O LYS B 33 -4.318 -18.199 1.833 1.00 35.16 O ATOM 1869 CB LYS B 33 -6.758 -20.305 0.893 1.00 38.40 C ATOM 1870 CG LYS B 33 -6.208 -21.004 2.124 1.00 40.70 C ATOM 1871 CD LYS B 33 -6.380 -22.522 2.047 1.00 45.73 C ATOM 1872 CE LYS B 33 -5.394 -23.159 1.066 1.00 51.84 C ATOM 1873 NZ LYS B 33 -5.238 -24.621 1.339 1.00 58.59 N ATOM 1874 HA LYS B 33 -6.835 -18.350 1.744 1.00 0.00 H ATOM 1875 HB2 LYS B 33 -7.842 -20.421 0.885 1.00 0.00 H ATOM 1876 HB3 LYS B 33 -6.337 -20.782 0.008 1.00 0.00 H ATOM 1877 HG2 LYS B 33 -5.146 -20.774 2.215 1.00 0.00 H ATOM 1878 HG3 LYS B 33 -6.735 -20.634 3.004 1.00 0.00 H ATOM 1879 HD2 LYS B 33 -6.216 -22.946 3.038 1.00 0.00 H ATOM 1880 HD3 LYS B 33 -7.396 -22.746 1.721 1.00 0.00 H ATOM 1881 HE2 LYS B 33 -4.424 -22.671 1.167 1.00 0.00 H ATOM 1882 HE3 LYS B 33 -5.763 -23.023 0.050 1.00 0.00 H ATOM 1883 HZ1 LYS B 33 -4.882 -24.756 2.307 1.00 0.00 H ATOM 1884 HZ2 LYS B 33 -6.160 -25.091 1.239 1.00 0.00 H ATOM 1885 HZ3 LYS B 33 -4.564 -25.029 0.660 1.00 0.00 H ATOM 1886 H LYS B 33 -7.596 -18.734 -0.988 1.00 0.00 H ATOM 1887 N GLU B 34 -4.285 -18.765 -0.353 1.00 35.91 N ATOM 1888 CA GLU B 34 -2.841 -18.589 -0.511 1.00 36.17 C ATOM 1889 C GLU B 34 -2.435 -17.137 -0.281 1.00 35.61 C ATOM 1890 O GLU B 34 -1.425 -16.866 0.406 1.00 36.19 O ATOM 1891 CB GLU B 34 -2.345 -19.110 -1.874 1.00 38.05 C ATOM 1892 CG GLU B 34 -2.648 -20.608 -2.161 1.00 40.01 C ATOM 1893 CD GLU B 34 -1.981 -21.594 -1.176 1.00 44.54 C ATOM 1894 OE1 GLU B 34 -1.337 -21.160 -0.189 1.00 43.45 O ATOM 1895 OE2 GLU B 34 -2.115 -22.829 -1.378 1.00 46.13 O ATOM 1896 HA GLU B 34 -2.353 -19.193 0.254 1.00 0.00 H ATOM 1897 HB2 GLU B 34 -2.818 -18.515 -2.655 1.00 0.00 H ATOM 1898 HB3 GLU B 34 -1.265 -18.970 -1.916 1.00 0.00 H ATOM 1899 HG2 GLU B 34 -3.727 -20.754 -2.111 1.00 0.00 H ATOM 1900 HG3 GLU B 34 -2.297 -20.841 -3.167 1.00 0.00 H ATOM 1901 H GLU B 34 -4.850 -19.048 -1.179 1.00 0.00 H ATOM 1902 N LEU B 35 -3.213 -16.198 -0.838 1.00 34.81 N ATOM 1903 CA LEU B 35 -2.975 -14.767 -0.597 1.00 33.61 C ATOM 1904 C LEU B 35 -2.927 -14.452 0.917 1.00 33.14 C ATOM 1905 O LEU B 35 -1.970 -13.832 1.408 1.00 33.75 O ATOM 1906 CB LEU B 35 -4.011 -13.897 -1.307 1.00 33.12 C ATOM 1907 CG LEU B 35 -3.736 -12.393 -1.304 1.00 33.49 C ATOM 1908 CD1 LEU B 35 -4.374 -11.736 -2.558 1.00 34.14 C ATOM 1909 CD2 LEU B 35 -4.254 -11.734 -0.010 1.00 34.86 C ATOM 1910 HA LEU B 35 -1.999 -14.526 -1.019 1.00 0.00 H ATOM 1911 HB2 LEU B 35 -4.067 -14.224 -2.345 1.00 0.00 H ATOM 1912 HB3 LEU B 35 -4.974 -14.062 -0.823 1.00 0.00 H ATOM 1913 HG LEU B 35 -2.658 -12.238 -1.339 1.00 0.00 H ATOM 1914 HD21 LEU B 35 -5.329 -11.892 0.071 1.00 0.00 H ATOM 1915 HD22 LEU B 35 -3.754 -12.181 0.849 1.00 0.00 H ATOM 1916 HD23 LEU B 35 -4.043 -10.665 -0.039 1.00 0.00 H ATOM 1917 HD11 LEU B 35 -3.945 -12.179 -3.457 1.00 0.00 H ATOM 1918 HD12 LEU B 35 -5.451 -11.905 -2.547 1.00 0.00 H ATOM 1919 HD13 LEU B 35 -4.173 -10.665 -2.547 1.00 0.00 H ATOM 1920 H LEU B 35 -4.000 -16.487 -1.453 1.00 0.00 H ATOM 1921 N ILE B 36 -3.942 -14.897 1.648 1.00 31.88 N ATOM 1922 CA ILE B 36 -4.018 -14.651 3.088 1.00 32.80 C ATOM 1923 C ILE B 36 -2.855 -15.311 3.812 1.00 33.79 C ATOM 1924 O ILE B 36 -2.179 -14.669 4.606 1.00 35.54 O ATOM 1925 CB ILE B 36 -5.377 -15.107 3.674 1.00 33.64 C ATOM 1926 CG1 ILE B 36 -6.502 -14.237 3.067 1.00 33.38 C ATOM 1927 CG2 ILE B 36 -5.385 -15.008 5.213 1.00 35.94 C ATOM 1928 CD1 ILE B 36 -7.921 -14.718 3.357 1.00 33.90 C ATOM 1929 HA ILE B 36 -3.945 -13.575 3.244 1.00 0.00 H ATOM 1930 HB ILE B 36 -5.541 -16.153 3.416 1.00 0.00 H ATOM 1931 HG12 ILE B 36 -6.400 -13.227 3.464 1.00 0.00 H ATOM 1932 HG13 ILE B 36 -6.367 -14.216 1.986 1.00 0.00 H ATOM 1933 HD11 ILE B 36 -8.052 -15.722 2.955 1.00 0.00 H ATOM 1934 HD12 ILE B 36 -8.085 -14.733 4.434 1.00 0.00 H ATOM 1935 HD13 ILE B 36 -8.636 -14.041 2.888 1.00 0.00 H ATOM 1936 HG21 ILE B 36 -4.600 -15.644 5.621 1.00 0.00 H ATOM 1937 HG22 ILE B 36 -5.208 -13.974 5.510 1.00 0.00 H ATOM 1938 HG23 ILE B 36 -6.353 -15.335 5.592 1.00 0.00 H ATOM 1939 H ILE B 36 -4.703 -15.434 1.185 1.00 0.00 H ATOM 1940 N ASN B 37 -2.624 -16.583 3.525 1.00 33.79 N ATOM 1941 CA ASN B 37 -1.571 -17.343 4.203 1.00 36.71 C ATOM 1942 C ASN B 37 -0.146 -16.819 3.964 1.00 37.40 C ATOM 1943 O ASN B 37 0.698 -16.834 4.876 1.00 39.85 O ATOM 1944 CB ASN B 37 -1.680 -18.823 3.825 1.00 37.16 C ATOM 1945 CG ASN B 37 -2.837 -19.536 4.521 1.00 38.37 C ATOM 1946 OD1 ASN B 37 -3.084 -20.730 4.274 1.00 41.36 O ATOM 1947 ND2 ASN B 37 -3.532 -18.832 5.412 1.00 32.17 N ATOM 1948 HA ASN B 37 -1.740 -17.211 5.272 1.00 0.00 H ATOM 1949 HB2 ASN B 37 -1.825 -18.896 2.747 1.00 0.00 H ATOM 1950 HB3 ASN B 37 -0.750 -19.321 4.100 1.00 0.00 H ATOM 1951 HD22 ASN B 37 -3.292 -17.835 5.589 1.00 0.00 H ATOM 1952 HD21 ASN B 37 -4.314 -19.279 5.932 1.00 0.00 H ATOM 1953 H ASN B 37 -3.204 -17.054 2.801 1.00 0.00 H ATOM 1954 N ASN B 38 0.132 -16.413 2.724 1.00 36.93 N ATOM 1955 CA ASN B 38 1.478 -15.983 2.326 1.00 38.54 C ATOM 1956 C ASN B 38 1.744 -14.506 2.565 1.00 38.71 C ATOM 1957 O ASN B 38 2.865 -14.126 2.902 1.00 40.55 O ATOM 1958 CB ASN B 38 1.717 -16.207 0.831 1.00 39.20 C ATOM 1959 CG ASN B 38 1.714 -17.657 0.434 1.00 39.10 C ATOM 1960 OD1 ASN B 38 2.021 -18.549 1.233 1.00 41.23 O ATOM 1961 ND2 ASN B 38 1.412 -17.902 -0.839 1.00 41.04 N ATOM 1962 HA ASN B 38 2.141 -16.586 2.947 1.00 0.00 H ATOM 1963 HB2 ASN B 38 0.931 -15.695 0.275 1.00 0.00 H ATOM 1964 HB3 ASN B 38 2.684 -15.779 0.568 1.00 0.00 H ATOM 1965 HD22 ASN B 38 1.160 -17.118 -1.474 1.00 0.00 H ATOM 1966 HD21 ASN B 38 1.428 -18.878 -1.199 1.00 0.00 H ATOM 1967 H ASN B 38 -0.630 -16.401 2.016 1.00 0.00 H ATOM 1968 N GLU B 39 0.718 -13.687 2.354 1.00 38.10 N ATOM 1969 CA GLU B 39 0.888 -12.226 2.313 1.00 38.56 C ATOM 1970 C GLU B 39 0.310 -11.473 3.513 1.00 38.83 C ATOM 1971 O GLU B 39 0.586 -10.274 3.686 1.00 40.18 O ATOM 1972 CB GLU B 39 0.313 -11.644 1.017 1.00 38.56 C ATOM 1973 CG GLU B 39 0.723 -12.368 -0.301 1.00 39.54 C ATOM 1974 CD GLU B 39 2.216 -12.525 -0.510 1.00 40.98 C ATOM 1975 OE1 GLU B 39 3.006 -11.685 -0.024 1.00 41.74 O ATOM 1976 OE2 GLU B 39 2.601 -13.496 -1.195 1.00 39.82 O ATOM 1977 HA GLU B 39 1.967 -12.076 2.355 1.00 0.00 H ATOM 1978 HB2 GLU B 39 -0.774 -11.676 1.091 1.00 0.00 H ATOM 1979 HB3 GLU B 39 0.640 -10.607 0.943 1.00 0.00 H ATOM 1980 HG2 GLU B 39 0.276 -13.362 -0.294 1.00 0.00 H ATOM 1981 HG3 GLU B 39 0.323 -11.797 -1.139 1.00 0.00 H ATOM 1982 H GLU B 39 -0.230 -14.090 2.214 1.00 0.00 H ATOM 1983 N LEU B 40 -0.498 -12.142 4.331 1.00 37.78 N ATOM 1984 CA LEU B 40 -1.115 -11.470 5.500 1.00 37.84 C ATOM 1985 C LEU B 40 -0.816 -12.149 6.836 1.00 39.38 C ATOM 1986 O LEU B 40 -1.580 -12.022 7.801 1.00 39.64 O ATOM 1987 CB LEU B 40 -2.630 -11.279 5.298 1.00 36.94 C ATOM 1988 CG LEU B 40 -3.036 -10.280 4.203 1.00 35.05 C ATOM 1989 CD1 LEU B 40 -4.511 -10.408 3.782 1.00 34.68 C ATOM 1990 CD2 LEU B 40 -2.733 -8.824 4.594 1.00 37.32 C ATOM 1991 HA LEU B 40 -0.643 -10.489 5.557 1.00 0.00 H ATOM 1992 HB2 LEU B 40 -3.059 -12.248 5.043 1.00 0.00 H ATOM 1993 HB3 LEU B 40 -3.053 -10.933 6.241 1.00 0.00 H ATOM 1994 HG LEU B 40 -2.420 -10.545 3.344 1.00 0.00 H ATOM 1995 HD21 LEU B 40 -3.282 -8.571 5.501 1.00 0.00 H ATOM 1996 HD22 LEU B 40 -1.663 -8.712 4.772 1.00 0.00 H ATOM 1997 HD23 LEU B 40 -3.039 -8.161 3.785 1.00 0.00 H ATOM 1998 HD11 LEU B 40 -4.692 -11.411 3.396 1.00 0.00 H ATOM 1999 HD12 LEU B 40 -5.151 -10.229 4.646 1.00 0.00 H ATOM 2000 HD13 LEU B 40 -4.731 -9.674 3.007 1.00 0.00 H ATOM 2001 H LEU B 40 -0.699 -13.146 4.149 1.00 0.00 H ATOM 2002 N SER B 41 0.326 -12.833 6.894 1.00 43.54 N ATOM 2003 CA SER B 41 0.677 -13.643 8.057 1.00 44.53 C ATOM 2004 C SER B 41 0.872 -12.858 9.371 1.00 46.55 C ATOM 2005 O SER B 41 0.762 -13.439 10.448 1.00 47.72 O ATOM 2006 CB SER B 41 1.912 -14.506 7.759 1.00 45.89 C ATOM 2007 OG SER B 41 3.035 -13.683 7.504 1.00 46.73 O ATOM 2008 HA SER B 41 -0.193 -14.276 8.232 1.00 0.00 H ATOM 2009 HB2 SER B 41 1.715 -15.127 6.885 1.00 0.00 H ATOM 2010 HB3 SER B 41 2.121 -15.144 8.617 1.00 0.00 H ATOM 2011 HG SER B 41 2.848 -13.104 6.723 1.00 0.00 H ATOM 2012 H SER B 41 0.984 -12.789 6.090 1.00 0.00 H ATOM 2013 N HIS B 42 1.150 -11.554 9.286 1.00 48.02 N ATOM 2014 CA HIS B 42 1.266 -10.709 10.491 1.00 50.57 C ATOM 2015 C HIS B 42 -0.080 -10.201 11.025 1.00 49.79 C ATOM 2016 O HIS B 42 -0.169 -9.743 12.173 1.00 52.53 O ATOM 2017 CB HIS B 42 2.205 -9.519 10.246 1.00 53.01 C ATOM 2018 CG HIS B 42 3.630 -9.913 10.025 1.00 55.46 C ATOM 2019 ND1 HIS B 42 4.136 -10.213 8.779 1.00 55.37 N ATOM 2020 CD2 HIS B 42 4.655 -10.069 10.895 1.00 59.94 C ATOM 2021 CE1 HIS B 42 5.410 -10.541 8.890 1.00 58.00 C ATOM 2022 NE2 HIS B 42 5.751 -10.456 10.163 1.00 61.67 N ATOM 2023 HA HIS B 42 1.686 -11.360 11.257 1.00 0.00 H ATOM 2024 HB2 HIS B 42 1.856 -8.981 9.365 1.00 0.00 H ATOM 2025 HB3 HIS B 42 2.160 -8.861 11.114 1.00 0.00 H ATOM 2026 HD2 HIS B 42 4.618 -9.916 11.974 1.00 0.00 H ATOM 2027 HE1 HIS B 42 6.068 -10.832 8.071 1.00 0.00 H ATOM 2028 H HIS B 42 1.288 -11.124 8.349 1.00 0.00 H ATOM 2029 N PHE B 43 -1.106 -10.267 10.187 1.00 47.23 N ATOM 2030 CA PHE B 43 -2.414 -9.643 10.457 1.00 47.00 C ATOM 2031 C PHE B 43 -3.518 -10.649 10.760 1.00 45.28 C ATOM 2032 O PHE B 43 -4.420 -10.378 11.567 1.00 45.72 O ATOM 2033 CB PHE B 43 -2.839 -8.758 9.261 1.00 45.92 C ATOM 2034 CG PHE B 43 -1.991 -7.517 9.088 1.00 49.44 C ATOM 2035 CD1 PHE B 43 -1.226 -7.024 10.140 1.00 54.10 C ATOM 2036 CD2 PHE B 43 -1.971 -6.833 7.894 1.00 49.84 C ATOM 2037 CE1 PHE B 43 -0.450 -5.873 9.986 1.00 58.25 C ATOM 2038 CE2 PHE B 43 -1.200 -5.683 7.743 1.00 53.11 C ATOM 2039 CZ PHE B 43 -0.449 -5.207 8.779 1.00 55.86 C ATOM 2040 HA PHE B 43 -2.282 -9.037 11.354 1.00 0.00 H ATOM 2041 HB2 PHE B 43 -2.768 -9.353 8.350 1.00 0.00 H ATOM 2042 HB3 PHE B 43 -3.873 -8.449 9.412 1.00 0.00 H ATOM 2043 HD2 PHE B 43 -2.566 -7.196 7.056 1.00 0.00 H ATOM 2044 HE2 PHE B 43 -1.196 -5.158 6.788 1.00 0.00 H ATOM 2045 HZ PHE B 43 0.149 -4.304 8.652 1.00 0.00 H ATOM 2046 HE1 PHE B 43 0.152 -5.503 10.816 1.00 0.00 H ATOM 2047 HD1 PHE B 43 -1.232 -7.543 11.098 1.00 0.00 H ATOM 2048 H PHE B 43 -0.981 -10.785 9.294 1.00 0.00 H ATOM 2049 N LEU B 44 -3.435 -11.804 10.102 1.00 43.51 N ATOM 2050 CA LEU B 44 -4.475 -12.814 10.139 1.00 42.54 C ATOM 2051 C LEU B 44 -3.857 -14.173 10.413 1.00 42.79 C ATOM 2052 O LEU B 44 -2.828 -14.524 9.817 1.00 41.96 O ATOM 2053 CB LEU B 44 -5.227 -12.871 8.792 1.00 39.66 C ATOM 2054 CG LEU B 44 -5.979 -11.614 8.300 1.00 42.63 C ATOM 2055 CD1 LEU B 44 -6.682 -11.841 6.962 1.00 38.72 C ATOM 2056 CD2 LEU B 44 -6.970 -11.088 9.362 1.00 45.49 C ATOM 2057 HA LEU B 44 -5.178 -12.554 10.930 1.00 0.00 H ATOM 2058 HB2 LEU B 44 -4.493 -13.125 8.027 1.00 0.00 H ATOM 2059 HB3 LEU B 44 -5.961 -13.673 8.869 1.00 0.00 H ATOM 2060 HG LEU B 44 -5.221 -10.848 8.139 1.00 0.00 H ATOM 2061 HD21 LEU B 44 -7.704 -11.862 9.587 1.00 0.00 H ATOM 2062 HD22 LEU B 44 -6.424 -10.829 10.269 1.00 0.00 H ATOM 2063 HD23 LEU B 44 -7.478 -10.204 8.977 1.00 0.00 H ATOM 2064 HD11 LEU B 44 -5.944 -12.109 6.206 1.00 0.00 H ATOM 2065 HD12 LEU B 44 -7.407 -12.648 7.066 1.00 0.00 H ATOM 2066 HD13 LEU B 44 -7.195 -10.927 6.663 1.00 0.00 H ATOM 2067 H LEU B 44 -2.584 -11.990 9.535 1.00 0.00 H ATOM 2068 N GLU B 45 -4.502 -14.935 11.296 1.00 44.07 N ATOM 2069 CA GLU B 45 -4.128 -16.332 11.561 1.00 44.60 C ATOM 2070 C GLU B 45 -4.152 -17.142 10.276 1.00 42.40 C ATOM 2071 O GLU B 45 -5.075 -17.001 9.450 1.00 41.15 O ATOM 2072 CB GLU B 45 -5.090 -16.986 12.562 1.00 46.36 C ATOM 2073 CG GLU B 45 -4.577 -17.043 13.998 1.00 51.16 C ATOM 2074 HA GLU B 45 -3.122 -16.322 11.980 1.00 0.00 H ATOM 2075 HB2 GLU B 45 -6.022 -16.420 12.557 1.00 0.00 H ATOM 2076 HB3 GLU B 45 -5.284 -18.006 12.230 1.00 0.00 H ATOM 2077 HG2 GLU B 45 -3.651 -17.618 14.029 1.00 0.00 H ATOM 2078 HG3 GLU B 45 -4.390 -16.031 14.356 1.00 0.00 H ATOM 2079 H GLU B 45 -5.302 -14.525 11.819 1.00 0.00 H ATOM 2080 N GLU B 46 -3.148 -17.994 10.113 1.00 42.32 N ATOM 2081 CA GLU B 46 -3.067 -18.877 8.958 1.00 40.96 C ATOM 2082 C GLU B 46 -4.366 -19.678 8.792 1.00 39.85 C ATOM 2083 O GLU B 46 -4.922 -20.165 9.776 1.00 40.40 O ATOM 2084 CB GLU B 46 -1.866 -19.835 9.096 1.00 43.25 C ATOM 2085 CG GLU B 46 -1.599 -20.640 7.808 1.00 43.32 C ATOM 2086 CD GLU B 46 -0.564 -21.743 7.959 1.00 46.44 C ATOM 2087 OE1 GLU B 46 0.240 -21.683 8.903 1.00 50.98 O ATOM 2088 OE2 GLU B 46 -0.562 -22.684 7.131 1.00 48.94 O ATOM 2089 HA GLU B 46 -2.926 -18.262 8.070 1.00 0.00 H ATOM 2090 HB2 GLU B 46 -0.977 -19.250 9.333 1.00 0.00 H ATOM 2091 HB3 GLU B 46 -2.067 -20.533 9.909 1.00 0.00 H ATOM 2092 HG2 GLU B 46 -2.537 -21.094 7.489 1.00 0.00 H ATOM 2093 HG3 GLU B 46 -1.251 -19.949 7.040 1.00 0.00 H ATOM 2094 H GLU B 46 -2.397 -18.032 10.831 1.00 0.00 H ATOM 2095 N ILE B 47 -4.856 -19.784 7.556 1.00 37.24 N ATOM 2096 CA ILE B 47 -6.031 -20.608 7.281 1.00 37.58 C ATOM 2097 C ILE B 47 -5.653 -22.065 7.036 1.00 38.67 C ATOM 2098 O ILE B 47 -4.898 -22.373 6.110 1.00 38.48 O ATOM 2099 CB ILE B 47 -6.880 -20.068 6.106 1.00 36.05 C ATOM 2100 CG1 ILE B 47 -7.275 -18.610 6.349 1.00 35.60 C ATOM 2101 CG2 ILE B 47 -8.120 -20.913 5.962 1.00 37.53 C ATOM 2102 CD1 ILE B 47 -7.939 -17.915 5.111 1.00 35.15 C ATOM 2103 HA ILE B 47 -6.648 -20.556 8.178 1.00 0.00 H ATOM 2104 HB ILE B 47 -6.289 -20.116 5.192 1.00 0.00 H ATOM 2105 HG12 ILE B 47 -7.981 -18.580 7.179 1.00 0.00 H ATOM 2106 HG13 ILE B 47 -6.378 -18.051 6.616 1.00 0.00 H ATOM 2107 HD11 ILE B 47 -7.242 -17.925 4.273 1.00 0.00 H ATOM 2108 HD12 ILE B 47 -8.846 -18.454 4.837 1.00 0.00 H ATOM 2109 HD13 ILE B 47 -8.189 -16.885 5.365 1.00 0.00 H ATOM 2110 HG21 ILE B 47 -7.833 -21.946 5.763 1.00 0.00 H ATOM 2111 HG22 ILE B 47 -8.699 -20.867 6.884 1.00 0.00 H ATOM 2112 HG23 ILE B 47 -8.721 -20.536 5.135 1.00 0.00 H ATOM 2113 H ILE B 47 -4.395 -19.273 6.777 1.00 0.00 H ATOM 2114 N LYS B 48 -6.169 -22.950 7.886 1.00 39.82 N ATOM 2115 CA LYS B 48 -5.910 -24.380 7.746 1.00 43.11 C ATOM 2116 C LYS B 48 -7.171 -25.230 7.560 1.00 44.06 C ATOM 2117 O LYS B 48 -7.082 -26.395 7.162 1.00 46.93 O ATOM 2118 CB LYS B 48 -5.106 -24.904 8.952 1.00 45.36 C ATOM 2119 CG LYS B 48 -3.680 -24.408 9.022 1.00 45.40 C ATOM 2120 CD LYS B 48 -3.030 -24.811 10.347 1.00 51.19 C ATOM 2121 CE LYS B 48 -1.511 -24.653 10.299 1.00 54.78 C ATOM 2122 NZ LYS B 48 -0.899 -24.685 11.660 1.00 60.35 N ATOM 2123 HA LYS B 48 -5.330 -24.483 6.829 1.00 0.00 H ATOM 2124 HB2 LYS B 48 -5.619 -24.595 9.863 1.00 0.00 H ATOM 2125 HB3 LYS B 48 -5.085 -25.993 8.900 1.00 0.00 H ATOM 2126 HG2 LYS B 48 -3.110 -24.839 8.198 1.00 0.00 H ATOM 2127 HG3 LYS B 48 -3.675 -23.321 8.937 1.00 0.00 H ATOM 2128 HD2 LYS B 48 -3.427 -24.180 11.142 1.00 0.00 H ATOM 2129 HD3 LYS B 48 -3.271 -25.853 10.557 1.00 0.00 H ATOM 2130 HE2 LYS B 48 -1.271 -23.700 9.828 1.00 0.00 H ATOM 2131 HE3 LYS B 48 -1.092 -25.465 9.706 1.00 0.00 H ATOM 2132 HZ1 LYS B 48 -1.288 -23.908 12.232 1.00 0.00 H ATOM 2133 HZ2 LYS B 48 -1.116 -25.595 12.115 1.00 0.00 H ATOM 2134 HZ3 LYS B 48 0.132 -24.574 11.578 1.00 0.00 H ATOM 2135 H LYS B 48 -6.769 -22.616 8.667 1.00 0.00 H ATOM 2136 N GLU B 49 -8.338 -24.681 7.873 1.00 43.32 N ATOM 2137 CA GLU B 49 -9.566 -25.480 7.813 1.00 44.90 C ATOM 2138 C GLU B 49 -10.442 -24.981 6.664 1.00 42.52 C ATOM 2139 O GLU B 49 -10.527 -23.784 6.427 1.00 40.10 O ATOM 2140 CB GLU B 49 -10.354 -25.396 9.129 1.00 46.90 C ATOM 2141 CG GLU B 49 -9.678 -25.951 10.400 1.00 52.24 C ATOM 2142 CD GLU B 49 -9.319 -27.439 10.353 1.00 59.48 C ATOM 2143 OE1 GLU B 49 -10.130 -28.285 9.894 1.00 62.95 O ATOM 2144 OE2 GLU B 49 -8.210 -27.770 10.823 1.00 63.10 O ATOM 2145 HA GLU B 49 -9.287 -26.521 7.649 1.00 0.00 H ATOM 2146 HB2 GLU B 49 -10.577 -24.345 9.310 1.00 0.00 H ATOM 2147 HB3 GLU B 49 -11.285 -25.945 8.988 1.00 0.00 H ATOM 2148 HG2 GLU B 49 -8.760 -25.388 10.567 1.00 0.00 H ATOM 2149 HG3 GLU B 49 -10.356 -25.794 11.239 1.00 0.00 H ATOM 2150 H GLU B 49 -8.382 -23.683 8.161 1.00 0.00 H ATOM 2151 N GLN B 50 -11.102 -25.909 5.975 1.00 42.99 N ATOM 2152 CA GLN B 50 -11.996 -25.578 4.867 1.00 42.21 C ATOM 2153 C GLN B 50 -13.130 -24.639 5.291 1.00 40.81 C ATOM 2154 O GLN B 50 -13.519 -23.752 4.542 1.00 39.83 O ATOM 2155 CB GLN B 50 -12.594 -26.860 4.275 1.00 44.67 C ATOM 2156 CG GLN B 50 -13.377 -26.637 3.002 1.00 45.71 C ATOM 2157 CD GLN B 50 -12.498 -26.174 1.856 1.00 45.59 C ATOM 2158 OE1 GLN B 50 -11.572 -26.870 1.467 1.00 50.67 O ATOM 2159 NE2 GLN B 50 -12.803 -25.018 1.293 1.00 41.69 N ATOM 2160 HA GLN B 50 -11.398 -25.059 4.118 1.00 0.00 H ATOM 2161 HB2 GLN B 50 -11.780 -27.552 4.061 1.00 0.00 H ATOM 2162 HB3 GLN B 50 -13.260 -27.302 5.016 1.00 0.00 H ATOM 2163 HG2 GLN B 50 -13.858 -27.573 2.718 1.00 0.00 H ATOM 2164 HG3 GLN B 50 -14.139 -25.880 3.187 1.00 0.00 H ATOM 2165 HE22 GLN B 50 -13.600 -24.457 1.656 1.00 0.00 H ATOM 2166 HE21 GLN B 50 -12.246 -24.669 0.487 1.00 0.00 H ATOM 2167 H GLN B 50 -10.977 -26.908 6.235 1.00 0.00 H ATOM 2168 N GLU B 51 -13.687 -24.838 6.476 1.00 42.54 N ATOM 2169 CA GLU B 51 -14.805 -23.989 6.879 1.00 42.67 C ATOM 2170 C GLU B 51 -14.417 -22.525 7.043 1.00 40.53 C ATOM 2171 O GLU B 51 -15.266 -21.642 6.885 1.00 40.02 O ATOM 2172 CB GLU B 51 -15.529 -24.531 8.109 1.00 46.73 C ATOM 2173 CG GLU B 51 -14.734 -24.625 9.379 1.00 50.06 C ATOM 2174 CD GLU B 51 -15.638 -25.068 10.504 1.00 56.77 C ATOM 2175 OE1 GLU B 51 -15.567 -26.246 10.896 1.00 59.97 O ATOM 2176 OE2 GLU B 51 -16.478 -24.250 10.938 1.00 60.01 O ATOM 2177 HA GLU B 51 -15.514 -24.021 6.052 1.00 0.00 H ATOM 2178 HB2 GLU B 51 -16.383 -23.881 8.302 1.00 0.00 H ATOM 2179 HB3 GLU B 51 -15.884 -25.533 7.868 1.00 0.00 H ATOM 2180 HG2 GLU B 51 -13.929 -25.349 9.252 1.00 0.00 H ATOM 2181 HG3 GLU B 51 -14.309 -23.649 9.616 1.00 0.00 H ATOM 2182 H GLU B 51 -13.335 -25.585 7.108 1.00 0.00 H ATOM 2183 N VAL B 52 -13.131 -22.279 7.321 1.00 38.95 N ATOM 2184 CA VAL B 52 -12.616 -20.915 7.454 1.00 37.90 C ATOM 2185 C VAL B 52 -12.461 -20.299 6.075 1.00 36.88 C ATOM 2186 O VAL B 52 -12.924 -19.177 5.866 1.00 36.00 O ATOM 2187 CB VAL B 52 -11.305 -20.824 8.311 1.00 37.50 C ATOM 2188 CG1 VAL B 52 -10.751 -19.385 8.313 1.00 35.23 C ATOM 2189 CG2 VAL B 52 -11.582 -21.279 9.740 1.00 40.18 C ATOM 2190 HA VAL B 52 -13.345 -20.333 8.018 1.00 0.00 H ATOM 2191 HB VAL B 52 -10.557 -21.480 7.865 1.00 0.00 H ATOM 2192 HG11 VAL B 52 -10.525 -19.083 7.290 1.00 0.00 H ATOM 2193 HG12 VAL B 52 -11.496 -18.711 8.736 1.00 0.00 H ATOM 2194 HG13 VAL B 52 -9.842 -19.348 8.914 1.00 0.00 H ATOM 2195 HG21 VAL B 52 -12.345 -20.639 10.182 1.00 0.00 H ATOM 2196 HG22 VAL B 52 -11.933 -22.311 9.730 1.00 0.00 H ATOM 2197 HG23 VAL B 52 -10.665 -21.212 10.326 1.00 0.00 H ATOM 2198 H VAL B 52 -12.479 -23.080 7.446 1.00 0.00 H ATOM 2199 N VAL B 53 -11.891 -21.052 5.122 1.00 37.11 N ATOM 2200 CA VAL B 53 -11.870 -20.635 3.698 1.00 37.55 C ATOM 2201 C VAL B 53 -13.279 -20.220 3.235 1.00 37.44 C ATOM 2202 O VAL B 53 -13.489 -19.140 2.684 1.00 36.73 O ATOM 2203 CB VAL B 53 -11.379 -21.808 2.769 1.00 38.73 C ATOM 2204 CG1 VAL B 53 -11.439 -21.418 1.279 1.00 41.69 C ATOM 2205 CG2 VAL B 53 -9.976 -22.243 3.137 1.00 40.67 C ATOM 2206 HA VAL B 53 -11.183 -19.793 3.621 1.00 0.00 H ATOM 2207 HB VAL B 53 -12.058 -22.646 2.927 1.00 0.00 H ATOM 2208 HG11 VAL B 53 -12.467 -21.173 1.010 1.00 0.00 H ATOM 2209 HG12 VAL B 53 -10.801 -20.552 1.105 1.00 0.00 H ATOM 2210 HG13 VAL B 53 -11.092 -22.254 0.672 1.00 0.00 H ATOM 2211 HG21 VAL B 53 -9.294 -21.400 3.025 1.00 0.00 H ATOM 2212 HG22 VAL B 53 -9.963 -22.587 4.171 1.00 0.00 H ATOM 2213 HG23 VAL B 53 -9.664 -23.054 2.479 1.00 0.00 H ATOM 2214 H VAL B 53 -11.451 -21.955 5.389 1.00 0.00 H ATOM 2215 N ASP B 54 -14.223 -21.131 3.450 1.00 38.53 N ATOM 2216 CA ASP B 54 -15.599 -20.987 3.021 1.00 39.09 C ATOM 2217 C ASP B 54 -16.229 -19.728 3.612 1.00 39.43 C ATOM 2218 O ASP B 54 -16.834 -18.925 2.882 1.00 39.49 O ATOM 2219 CB ASP B 54 -16.387 -22.232 3.434 1.00 40.78 C ATOM 2220 CG ASP B 54 -15.994 -23.469 2.641 1.00 40.87 C ATOM 2221 OD1 ASP B 54 -15.197 -23.366 1.674 1.00 38.31 O ATOM 2222 OD2 ASP B 54 -16.488 -24.557 2.991 1.00 42.28 O ATOM 2223 HA ASP B 54 -15.624 -20.886 1.936 1.00 0.00 H ATOM 2224 HB2 ASP B 54 -16.206 -22.424 4.492 1.00 0.00 H ATOM 2225 HB3 ASP B 54 -17.449 -22.040 3.277 1.00 0.00 H ATOM 2226 H ASP B 54 -13.958 -21.999 3.957 1.00 0.00 H ATOM 2227 N LYS B 55 -16.058 -19.537 4.921 1.00 39.91 N ATOM 2228 CA LYS B 55 -16.616 -18.374 5.602 1.00 41.66 C ATOM 2229 C LYS B 55 -16.018 -17.060 5.084 1.00 40.17 C ATOM 2230 O LYS B 55 -16.756 -16.092 4.872 1.00 41.21 O ATOM 2231 CB LYS B 55 -16.432 -18.480 7.117 1.00 43.43 C ATOM 2232 CG LYS B 55 -17.300 -17.517 7.911 1.00 48.79 C ATOM 2233 CD LYS B 55 -18.711 -18.089 8.099 1.00 54.30 C ATOM 2234 CE LYS B 55 -19.777 -17.019 8.130 1.00 57.59 C ATOM 2235 NZ LYS B 55 -21.135 -17.648 8.305 1.00 62.02 N ATOM 2236 HA LYS B 55 -17.683 -18.362 5.380 1.00 0.00 H ATOM 2237 HB2 LYS B 55 -16.678 -19.497 7.423 1.00 0.00 H ATOM 2238 HB3 LYS B 55 -15.388 -18.274 7.352 1.00 0.00 H ATOM 2239 HG2 LYS B 55 -16.848 -17.350 8.889 1.00 0.00 H ATOM 2240 HG3 LYS B 55 -17.366 -16.570 7.376 1.00 0.00 H ATOM 2241 HD2 LYS B 55 -18.924 -18.769 7.275 1.00 0.00 H ATOM 2242 HD3 LYS B 55 -18.742 -18.639 9.040 1.00 0.00 H ATOM 2243 HE2 LYS B 55 -19.756 -16.461 7.194 1.00 0.00 H ATOM 2244 HE3 LYS B 55 -19.584 -16.341 8.961 1.00 0.00 H ATOM 2245 HZ1 LYS B 55 -21.321 -18.294 7.512 1.00 0.00 H ATOM 2246 HZ2 LYS B 55 -21.157 -18.179 9.199 1.00 0.00 H ATOM 2247 HZ3 LYS B 55 -21.861 -16.903 8.325 1.00 0.00 H ATOM 2248 H LYS B 55 -15.514 -20.234 5.469 1.00 0.00 H ATOM 2249 N VAL B 56 -14.696 -17.019 4.901 1.00 38.35 N ATOM 2250 CA VAL B 56 -14.040 -15.787 4.446 1.00 38.03 C ATOM 2251 C VAL B 56 -14.595 -15.431 3.087 1.00 37.75 C ATOM 2252 O VAL B 56 -15.049 -14.313 2.905 1.00 38.36 O ATOM 2253 CB VAL B 56 -12.513 -15.899 4.411 1.00 36.91 C ATOM 2254 CG1 VAL B 56 -11.877 -14.676 3.708 1.00 36.79 C ATOM 2255 CG2 VAL B 56 -11.987 -16.014 5.834 1.00 38.45 C ATOM 2256 HA VAL B 56 -14.254 -14.995 5.163 1.00 0.00 H ATOM 2257 HB VAL B 56 -12.242 -16.788 3.842 1.00 0.00 H ATOM 2258 HG11 VAL B 56 -12.245 -14.615 2.684 1.00 0.00 H ATOM 2259 HG12 VAL B 56 -12.147 -13.768 4.247 1.00 0.00 H ATOM 2260 HG13 VAL B 56 -10.793 -14.786 3.700 1.00 0.00 H ATOM 2261 HG21 VAL B 56 -12.277 -15.128 6.400 1.00 0.00 H ATOM 2262 HG22 VAL B 56 -12.409 -16.902 6.305 1.00 0.00 H ATOM 2263 HG23 VAL B 56 -10.900 -16.094 5.813 1.00 0.00 H ATOM 2264 H VAL B 56 -14.125 -17.869 5.083 1.00 0.00 H ATOM 2265 N MET B 57 -14.599 -16.394 2.158 1.00 37.02 N ATOM 2266 CA MET B 57 -15.193 -16.165 0.827 1.00 37.71 C ATOM 2267 C MET B 57 -16.628 -15.709 0.923 1.00 39.74 C ATOM 2268 O MET B 57 -17.012 -14.775 0.236 1.00 39.56 O ATOM 2269 CB MET B 57 -15.101 -17.400 -0.080 1.00 38.22 C ATOM 2270 CG MET B 57 -15.593 -17.134 -1.516 1.00 40.28 C ATOM 2271 SD MET B 57 -14.627 -15.864 -2.405 1.00 40.13 S ATOM 2272 CE MET B 57 -13.187 -16.816 -2.947 1.00 37.76 C ATOM 2273 HA MET B 57 -14.602 -15.369 0.373 1.00 0.00 H ATOM 2274 HB2 MET B 57 -14.061 -17.722 -0.124 1.00 0.00 H ATOM 2275 HB3 MET B 57 -15.708 -18.195 0.353 1.00 0.00 H ATOM 2276 HG2 MET B 57 -16.631 -16.805 -1.468 1.00 0.00 H ATOM 2277 HG3 MET B 57 -15.534 -18.066 -2.078 1.00 0.00 H ATOM 2278 HE1 MET B 57 -12.670 -17.219 -2.076 1.00 0.00 H ATOM 2279 HE2 MET B 57 -13.515 -17.635 -3.587 1.00 0.00 H ATOM 2280 HE3 MET B 57 -12.512 -16.166 -3.503 1.00 0.00 H ATOM 2281 H MET B 57 -14.177 -17.319 2.378 1.00 0.00 H ATOM 2282 N GLU B 58 -17.419 -16.356 1.782 1.00 40.62 N ATOM 2283 CA GLU B 58 -18.828 -15.986 1.945 1.00 44.57 C ATOM 2284 C GLU B 58 -18.945 -14.511 2.345 1.00 44.83 C ATOM 2285 O GLU B 58 -19.787 -13.778 1.837 1.00 46.73 O ATOM 2286 CB GLU B 58 -19.497 -16.920 2.962 1.00 46.14 C ATOM 2287 CG GLU B 58 -20.938 -16.591 3.310 1.00 51.35 C ATOM 2288 CD GLU B 58 -21.497 -17.483 4.421 1.00 54.10 C ATOM 2289 OE1 GLU B 58 -22.045 -16.941 5.410 1.00 59.97 O ATOM 2290 OE2 GLU B 58 -21.401 -18.725 4.310 1.00 57.25 O ATOM 2291 HA GLU B 58 -19.352 -16.104 0.997 1.00 0.00 H ATOM 2292 HB2 GLU B 58 -19.473 -17.931 2.555 1.00 0.00 H ATOM 2293 HB3 GLU B 58 -18.914 -16.886 3.882 1.00 0.00 H ATOM 2294 HG2 GLU B 58 -20.989 -15.553 3.637 1.00 0.00 H ATOM 2295 HG3 GLU B 58 -21.551 -16.720 2.418 1.00 0.00 H ATOM 2296 H GLU B 58 -17.028 -17.137 2.346 1.00 0.00 H ATOM 2297 N THR B 59 -18.049 -14.078 3.222 1.00 43.54 N ATOM 2298 CA THR B 59 -18.045 -12.698 3.701 1.00 45.56 C ATOM 2299 C THR B 59 -17.647 -11.697 2.599 1.00 44.89 C ATOM 2300 O THR B 59 -18.271 -10.624 2.473 1.00 47.15 O ATOM 2301 CB THR B 59 -17.145 -12.572 4.950 1.00 45.39 C ATOM 2302 OG1 THR B 59 -17.622 -13.488 5.950 1.00 48.65 O ATOM 2303 CG2 THR B 59 -17.167 -11.167 5.502 1.00 46.95 C ATOM 2304 HA THR B 59 -19.064 -12.438 3.986 1.00 0.00 H ATOM 2305 HB THR B 59 -16.118 -12.806 4.671 1.00 0.00 H ATOM 2306 HG1 THR B 59 -17.582 -14.412 5.596 1.00 0.00 H ATOM 2307 HG23 THR B 59 -16.805 -10.474 4.743 1.00 0.00 H ATOM 2308 HG21 THR B 59 -18.187 -10.903 5.780 1.00 0.00 H ATOM 2309 HG22 THR B 59 -16.524 -11.113 6.381 1.00 0.00 H ATOM 2310 H THR B 59 -17.330 -14.739 3.578 1.00 0.00 H ATOM 2311 N LEU B 60 -16.643 -12.051 1.794 1.00 42.32 N ATOM 2312 CA LEU B 60 -16.068 -11.111 0.816 1.00 42.53 C ATOM 2313 C LEU B 60 -16.805 -11.068 -0.513 1.00 43.85 C ATOM 2314 O LEU B 60 -16.705 -10.082 -1.252 1.00 44.76 O ATOM 2315 CB LEU B 60 -14.598 -11.457 0.548 1.00 39.84 C ATOM 2316 CG LEU B 60 -13.663 -11.403 1.752 1.00 39.78 C ATOM 2317 CD1 LEU B 60 -12.240 -11.591 1.256 1.00 39.96 C ATOM 2318 CD2 LEU B 60 -13.828 -10.093 2.546 1.00 42.59 C ATOM 2319 HA LEU B 60 -16.166 -10.125 1.271 1.00 0.00 H ATOM 2320 HB2 LEU B 60 -14.563 -12.469 0.144 1.00 0.00 H ATOM 2321 HB3 LEU B 60 -14.222 -10.756 -0.197 1.00 0.00 H ATOM 2322 HG LEU B 60 -13.914 -12.204 2.448 1.00 0.00 H ATOM 2323 HD21 LEU B 60 -13.602 -9.246 1.898 1.00 0.00 H ATOM 2324 HD22 LEU B 60 -14.854 -10.014 2.905 1.00 0.00 H ATOM 2325 HD23 LEU B 60 -13.144 -10.095 3.395 1.00 0.00 H ATOM 2326 HD11 LEU B 60 -12.155 -12.557 0.758 1.00 0.00 H ATOM 2327 HD12 LEU B 60 -11.993 -10.795 0.553 1.00 0.00 H ATOM 2328 HD13 LEU B 60 -11.554 -11.556 2.102 1.00 0.00 H ATOM 2329 H LEU B 60 -16.257 -13.014 1.859 1.00 0.00 H ATOM 2330 N ASP B 61 -17.529 -12.139 -0.827 1.00 43.54 N ATOM 2331 CA ASP B 61 -18.170 -12.265 -2.136 1.00 45.58 C ATOM 2332 C ASP B 61 -19.561 -11.606 -2.214 1.00 48.92 C ATOM 2333 O ASP B 61 -20.588 -12.292 -2.263 1.00 50.43 O ATOM 2334 CB ASP B 61 -18.217 -13.745 -2.562 1.00 44.74 C ATOM 2335 CG ASP B 61 -18.959 -13.950 -3.862 1.00 47.56 C ATOM 2336 OD1 ASP B 61 -18.881 -13.053 -4.736 1.00 50.60 O ATOM 2337 OD2 ASP B 61 -19.622 -15.000 -4.001 1.00 51.05 O ATOM 2338 HA ASP B 61 -17.554 -11.709 -2.843 1.00 0.00 H ATOM 2339 HB2 ASP B 61 -17.196 -14.107 -2.681 1.00 0.00 H ATOM 2340 HB3 ASP B 61 -18.716 -14.318 -1.780 1.00 0.00 H ATOM 2341 H ASP B 61 -17.641 -12.901 -0.129 1.00 0.00 H ATOM 2342 N SER B 62 -19.574 -10.273 -2.251 1.00 50.47 N ATOM 2343 CA SER B 62 -20.806 -9.455 -2.271 1.00 54.55 C ATOM 2344 C SER B 62 -21.752 -9.672 -3.449 1.00 57.21 C ATOM 2345 O SER B 62 -22.983 -9.564 -3.289 1.00 60.73 O ATOM 2346 CB SER B 62 -20.449 -7.965 -2.234 1.00 55.97 C ATOM 2347 OG SER B 62 -19.540 -7.714 -1.197 1.00 55.89 O ATOM 2348 HA SER B 62 -21.345 -9.789 -1.384 1.00 0.00 H ATOM 2349 HB2 SER B 62 -21.354 -7.381 -2.070 1.00 0.00 H ATOM 2350 HB3 SER B 62 -20.000 -7.678 -3.185 1.00 0.00 H ATOM 2351 HG SER B 62 -19.316 -6.750 -1.182 1.00 0.00 H ATOM 2352 H SER B 62 -18.660 -9.777 -2.267 1.00 0.00 H ATOM 2353 N ASP B 63 -21.208 -9.911 -4.641 1.00 56.80 N ATOM 2354 CA ASP B 63 -22.081 -10.067 -5.818 1.00 60.52 C ATOM 2355 C ASP B 63 -22.485 -11.531 -6.043 1.00 59.47 C ATOM 2356 O ASP B 63 -23.132 -11.846 -7.030 1.00 62.76 O ATOM 2357 CB ASP B 63 -21.471 -9.432 -7.086 1.00 61.78 C ATOM 2358 CG ASP B 63 -20.146 -10.061 -7.489 1.00 59.69 C ATOM 2359 OD1 ASP B 63 -19.838 -11.176 -7.027 1.00 53.18 O ATOM 2360 OD2 ASP B 63 -19.403 -9.436 -8.275 1.00 63.55 O ATOM 2361 HA ASP B 63 -22.997 -9.515 -5.604 1.00 0.00 H ATOM 2362 HB2 ASP B 63 -22.177 -9.552 -7.908 1.00 0.00 H ATOM 2363 HB3 ASP B 63 -21.309 -8.370 -6.899 1.00 0.00 H ATOM 2364 H ASP B 63 -20.176 -9.987 -4.740 1.00 0.00 H ATOM 2365 N GLY B 64 -22.086 -12.410 -5.124 1.00 59.92 N ATOM 2366 CA GLY B 64 -22.535 -13.801 -5.101 1.00 61.20 C ATOM 2367 C GLY B 64 -22.153 -14.710 -6.261 1.00 61.11 C ATOM 2368 O GLY B 64 -22.900 -15.638 -6.586 1.00 64.86 O ATOM 2369 HA3 GLY B 64 -23.624 -13.787 -5.049 1.00 0.00 H ATOM 2370 HA2 GLY B 64 -22.135 -14.253 -4.193 1.00 0.00 H ATOM 2371 H GLY B 64 -21.424 -12.091 -4.388 1.00 0.00 H ATOM 2372 N ASP B 65 -21.002 -14.464 -6.881 1.00 57.60 N ATOM 2373 CA ASP B 65 -20.512 -15.316 -7.971 1.00 58.29 C ATOM 2374 C ASP B 65 -19.506 -16.372 -7.488 1.00 55.78 C ATOM 2375 O ASP B 65 -18.904 -17.090 -8.288 1.00 56.62 O ATOM 2376 CB ASP B 65 -19.913 -14.471 -9.114 1.00 58.49 C ATOM 2377 CG ASP B 65 -18.630 -13.734 -8.713 1.00 54.83 C ATOM 2378 OD1 ASP B 65 -18.200 -13.835 -7.542 1.00 51.87 O ATOM 2379 OD2 ASP B 65 -18.044 -13.045 -9.574 1.00 55.71 O ATOM 2380 HA ASP B 65 -21.378 -15.854 -8.357 1.00 0.00 H ATOM 2381 HB2 ASP B 65 -19.686 -15.131 -9.951 1.00 0.00 H ATOM 2382 HB3 ASP B 65 -20.653 -13.734 -9.425 1.00 0.00 H ATOM 2383 H ASP B 65 -20.433 -13.645 -6.585 1.00 0.00 H ATOM 2384 N GLY B 66 -19.310 -16.459 -6.179 1.00 53.66 N ATOM 2385 CA GLY B 66 -18.418 -17.470 -5.629 1.00 52.30 C ATOM 2386 C GLY B 66 -16.930 -17.141 -5.667 1.00 49.36 C ATOM 2387 O GLY B 66 -16.104 -17.972 -5.264 1.00 48.69 O ATOM 2388 HA3 GLY B 66 -18.571 -18.391 -6.191 1.00 0.00 H ATOM 2389 HA2 GLY B 66 -18.698 -17.631 -4.588 1.00 0.00 H ATOM 2390 H GLY B 66 -19.798 -15.799 -5.540 1.00 0.00 H ATOM 2391 N GLU B 67 -16.572 -15.953 -6.163 1.00 47.44 N ATOM 2392 CA GLU B 67 -15.162 -15.557 -6.231 1.00 45.79 C ATOM 2393 C GLU B 67 -14.984 -14.165 -5.672 1.00 44.13 C ATOM 2394 O GLU B 67 -15.976 -13.445 -5.488 1.00 44.89 O ATOM 2395 CB GLU B 67 -14.626 -15.619 -7.659 1.00 47.44 C ATOM 2396 CG GLU B 67 -14.586 -17.032 -8.267 1.00 50.94 C ATOM 2397 CD GLU B 67 -13.588 -17.143 -9.402 1.00 53.68 C ATOM 2398 OE1 GLU B 67 -12.442 -16.675 -9.246 1.00 54.47 O ATOM 2399 OE2 GLU B 67 -13.948 -17.699 -10.453 1.00 58.54 O ATOM 2400 HA GLU B 67 -14.591 -16.265 -5.630 1.00 0.00 H ATOM 2401 HB2 GLU B 67 -15.261 -14.996 -8.288 1.00 0.00 H ATOM 2402 HB3 GLU B 67 -13.612 -15.219 -7.660 1.00 0.00 H ATOM 2403 HG2 GLU B 67 -14.310 -17.742 -7.487 1.00 0.00 H ATOM 2404 HG3 GLU B 67 -15.578 -17.279 -8.647 1.00 0.00 H ATOM 2405 H GLU B 67 -17.305 -15.299 -6.506 1.00 0.00 H ATOM 2406 N CYS B 68 -13.732 -13.795 -5.395 1.00 42.52 N ATOM 2407 CA CYS B 68 -13.408 -12.460 -4.898 1.00 40.79 C ATOM 2408 C CYS B 68 -12.766 -11.628 -6.009 1.00 41.82 C ATOM 2409 O CYS B 68 -11.633 -11.885 -6.410 1.00 42.27 O ATOM 2410 CB CYS B 68 -12.477 -12.519 -3.665 1.00 39.62 C ATOM 2411 SG CYS B 68 -12.193 -10.878 -2.925 1.00 38.67 S ATOM 2412 HA CYS B 68 -14.338 -11.986 -4.585 1.00 0.00 H ATOM 2413 HB2 CYS B 68 -11.517 -12.936 -3.971 1.00 0.00 H ATOM 2414 HB3 CYS B 68 -12.930 -13.167 -2.915 1.00 0.00 H ATOM 2415 HG CYS B 68 -11.608 -10.048 -3.860 1.00 0.00 H ATOM 2416 H CYS B 68 -12.962 -14.479 -5.538 1.00 0.00 H ATOM 2417 N ASP B 69 -13.498 -10.630 -6.502 1.00 42.77 N ATOM 2418 CA ASP B 69 -12.984 -9.749 -7.547 1.00 44.56 C ATOM 2419 C ASP B 69 -12.237 -8.567 -6.939 1.00 43.23 C ATOM 2420 O ASP B 69 -12.141 -8.458 -5.713 1.00 41.02 O ATOM 2421 CB ASP B 69 -14.081 -9.342 -8.559 1.00 47.89 C ATOM 2422 CG ASP B 69 -15.159 -8.428 -7.971 1.00 50.09 C ATOM 2423 OD1 ASP B 69 -14.919 -7.695 -6.990 1.00 49.54 O ATOM 2424 OD2 ASP B 69 -16.270 -8.416 -8.540 1.00 52.86 O ATOM 2425 HA ASP B 69 -12.254 -10.305 -8.135 1.00 0.00 H ATOM 2426 HB2 ASP B 69 -13.605 -8.822 -9.390 1.00 0.00 H ATOM 2427 HB3 ASP B 69 -14.562 -10.248 -8.927 1.00 0.00 H ATOM 2428 H ASP B 69 -14.458 -10.475 -6.134 1.00 0.00 H ATOM 2429 N PHE B 70 -11.679 -7.700 -7.777 1.00 45.11 N ATOM 2430 CA PHE B 70 -10.784 -6.672 -7.251 1.00 44.66 C ATOM 2431 C PHE B 70 -11.470 -5.669 -6.327 1.00 43.84 C ATOM 2432 O PHE B 70 -10.869 -5.202 -5.362 1.00 41.64 O ATOM 2433 CB PHE B 70 -10.011 -5.948 -8.351 1.00 48.72 C ATOM 2434 CG PHE B 70 -8.978 -5.015 -7.812 1.00 48.88 C ATOM 2435 CD1 PHE B 70 -7.852 -5.510 -7.177 1.00 46.71 C ATOM 2436 CD2 PHE B 70 -9.143 -3.636 -7.909 1.00 53.00 C ATOM 2437 CE1 PHE B 70 -6.900 -4.655 -6.649 1.00 48.69 C ATOM 2438 CE2 PHE B 70 -8.195 -2.772 -7.391 1.00 53.00 C ATOM 2439 CZ PHE B 70 -7.069 -3.282 -6.763 1.00 51.99 C ATOM 2440 HA PHE B 70 -10.069 -7.222 -6.640 1.00 0.00 H ATOM 2441 HB2 PHE B 70 -9.517 -6.691 -8.977 1.00 0.00 H ATOM 2442 HB3 PHE B 70 -10.716 -5.377 -8.955 1.00 0.00 H ATOM 2443 HD2 PHE B 70 -10.029 -3.233 -8.399 1.00 0.00 H ATOM 2444 HE2 PHE B 70 -8.333 -1.694 -7.476 1.00 0.00 H ATOM 2445 HZ PHE B 70 -6.317 -2.605 -6.359 1.00 0.00 H ATOM 2446 HE1 PHE B 70 -6.021 -5.058 -6.146 1.00 0.00 H ATOM 2447 HD1 PHE B 70 -7.713 -6.588 -7.092 1.00 0.00 H ATOM 2448 H PHE B 70 -11.877 -7.753 -8.797 1.00 0.00 H ATOM 2449 N GLN B 71 -12.726 -5.341 -6.625 1.00 46.04 N ATOM 2450 CA GLN B 71 -13.498 -4.450 -5.766 1.00 46.39 C ATOM 2451 C GLN B 71 -13.814 -5.109 -4.425 1.00 43.74 C ATOM 2452 O GLN B 71 -13.738 -4.465 -3.374 1.00 43.75 O ATOM 2453 CB GLN B 71 -14.792 -4.009 -6.464 1.00 50.75 C ATOM 2454 CG GLN B 71 -14.558 -3.191 -7.718 1.00 55.21 C ATOM 2455 CD GLN B 71 -13.965 -1.824 -7.428 1.00 58.63 C ATOM 2456 HA GLN B 71 -12.889 -3.567 -5.572 1.00 0.00 H ATOM 2457 HB2 GLN B 71 -15.359 -4.900 -6.734 1.00 0.00 H ATOM 2458 HB3 GLN B 71 -15.374 -3.409 -5.764 1.00 0.00 H ATOM 2459 HG2 GLN B 71 -13.874 -3.737 -8.367 1.00 0.00 H ATOM 2460 HG3 GLN B 71 -15.511 -3.056 -8.229 1.00 0.00 H ATOM 2461 H GLN B 71 -13.164 -5.727 -7.486 1.00 0.00 H ATOM 2462 N GLU B 72 -14.154 -6.394 -4.465 1.00 42.30 N ATOM 2463 CA GLU B 72 -14.359 -7.167 -3.243 1.00 40.50 C ATOM 2464 C GLU B 72 -13.068 -7.283 -2.437 1.00 38.72 C ATOM 2465 O GLU B 72 -13.102 -7.215 -1.206 1.00 38.26 O ATOM 2466 CB GLU B 72 -14.985 -8.525 -3.552 1.00 40.66 C ATOM 2467 CG GLU B 72 -16.451 -8.425 -3.997 1.00 42.72 C ATOM 2468 CD GLU B 72 -16.895 -9.632 -4.803 1.00 45.08 C ATOM 2469 OE1 GLU B 72 -16.041 -10.470 -5.166 1.00 43.23 O ATOM 2470 OE2 GLU B 72 -18.100 -9.744 -5.099 1.00 48.90 O ATOM 2471 HA GLU B 72 -15.069 -6.630 -2.614 1.00 0.00 H ATOM 2472 HB2 GLU B 72 -14.412 -8.998 -4.349 1.00 0.00 H ATOM 2473 HB3 GLU B 72 -14.936 -9.142 -2.655 1.00 0.00 H ATOM 2474 HG2 GLU B 72 -17.081 -8.344 -3.111 1.00 0.00 H ATOM 2475 HG3 GLU B 72 -16.571 -7.531 -4.610 1.00 0.00 H ATOM 2476 H GLU B 72 -14.277 -6.859 -5.387 1.00 0.00 H ATOM 2477 N PHE B 73 -11.934 -7.424 -3.128 1.00 38.06 N ATOM 2478 CA PHE B 73 -10.630 -7.441 -2.459 1.00 37.79 C ATOM 2479 C PHE B 73 -10.342 -6.116 -1.745 1.00 37.88 C ATOM 2480 O PHE B 73 -9.817 -6.101 -0.632 1.00 38.23 O ATOM 2481 CB PHE B 73 -9.504 -7.769 -3.469 1.00 39.22 C ATOM 2482 CG PHE B 73 -8.124 -7.727 -2.883 1.00 39.02 C ATOM 2483 CD1 PHE B 73 -7.698 -8.711 -1.987 1.00 38.49 C ATOM 2484 CD2 PHE B 73 -7.235 -6.712 -3.239 1.00 39.04 C ATOM 2485 CE1 PHE B 73 -6.411 -8.669 -1.440 1.00 40.79 C ATOM 2486 CE2 PHE B 73 -5.964 -6.662 -2.700 1.00 42.05 C ATOM 2487 CZ PHE B 73 -5.541 -7.648 -1.802 1.00 43.11 C ATOM 2488 HA PHE B 73 -10.660 -8.224 -1.701 1.00 0.00 H ATOM 2489 HB2 PHE B 73 -9.678 -8.770 -3.863 1.00 0.00 H ATOM 2490 HB3 PHE B 73 -9.553 -7.046 -4.283 1.00 0.00 H ATOM 2491 HD2 PHE B 73 -7.547 -5.949 -3.952 1.00 0.00 H ATOM 2492 HE2 PHE B 73 -5.289 -5.852 -2.975 1.00 0.00 H ATOM 2493 HZ PHE B 73 -4.533 -7.615 -1.388 1.00 0.00 H ATOM 2494 HE1 PHE B 73 -6.092 -9.434 -0.733 1.00 0.00 H ATOM 2495 HD1 PHE B 73 -8.375 -9.519 -1.711 1.00 0.00 H ATOM 2496 H PHE B 73 -11.977 -7.524 -4.162 1.00 0.00 H ATOM 2497 N MET B 74 -10.659 -5.004 -2.392 1.00 39.40 N ATOM 2498 CA MET B 74 -10.450 -3.686 -1.784 1.00 40.21 C ATOM 2499 C MET B 74 -11.300 -3.507 -0.521 1.00 39.37 C ATOM 2500 O MET B 74 -10.849 -2.907 0.457 1.00 39.72 O ATOM 2501 CB MET B 74 -10.719 -2.552 -2.778 1.00 42.78 C ATOM 2502 CG MET B 74 -9.600 -2.283 -3.801 1.00 45.45 C ATOM 2503 SD MET B 74 -7.993 -1.974 -3.048 1.00 49.17 S ATOM 2504 CE MET B 74 -8.313 -0.529 -2.018 1.00 48.16 C ATOM 2505 HA MET B 74 -9.400 -3.636 -1.496 1.00 0.00 H ATOM 2506 HB2 MET B 74 -11.626 -2.798 -3.330 1.00 0.00 H ATOM 2507 HB3 MET B 74 -10.879 -1.637 -2.208 1.00 0.00 H ATOM 2508 HG2 MET B 74 -9.877 -1.411 -4.393 1.00 0.00 H ATOM 2509 HG3 MET B 74 -9.514 -3.152 -4.454 1.00 0.00 H ATOM 2510 HE1 MET B 74 -8.651 0.295 -2.646 1.00 0.00 H ATOM 2511 HE2 MET B 74 -9.084 -0.770 -1.286 1.00 0.00 H ATOM 2512 HE3 MET B 74 -7.397 -0.242 -1.502 1.00 0.00 H ATOM 2513 H MET B 74 -11.063 -5.067 -3.348 1.00 0.00 H ATOM 2514 N ALA B 75 -12.522 -4.024 -0.539 1.00 39.43 N ATOM 2515 CA ALA B 75 -13.358 -4.039 0.669 1.00 40.08 C ATOM 2516 C ALA B 75 -12.702 -4.865 1.792 1.00 38.99 C ATOM 2517 O ALA B 75 -12.794 -4.499 2.973 1.00 40.38 O ATOM 2518 CB ALA B 75 -14.728 -4.595 0.337 1.00 42.18 C ATOM 2519 HA ALA B 75 -13.462 -3.015 1.027 1.00 0.00 H ATOM 2520 HB1 ALA B 75 -15.199 -3.969 -0.421 1.00 0.00 H ATOM 2521 HB2 ALA B 75 -14.624 -5.611 -0.043 1.00 0.00 H ATOM 2522 HB3 ALA B 75 -15.343 -4.603 1.237 1.00 0.00 H ATOM 2523 H ALA B 75 -12.894 -4.425 -1.423 1.00 0.00 H ATOM 2524 N PHE B 76 -12.069 -5.982 1.415 1.00 37.23 N ATOM 2525 CA PHE B 76 -11.311 -6.829 2.343 1.00 37.38 C ATOM 2526 C PHE B 76 -10.155 -6.029 2.951 1.00 37.70 C ATOM 2527 O PHE B 76 -9.984 -5.991 4.185 1.00 39.14 O ATOM 2528 CB PHE B 76 -10.801 -8.067 1.581 1.00 36.32 C ATOM 2529 CG PHE B 76 -10.011 -9.047 2.402 1.00 38.45 C ATOM 2530 CD1 PHE B 76 -10.383 -9.382 3.707 1.00 40.31 C ATOM 2531 CD2 PHE B 76 -8.941 -9.731 1.823 1.00 39.09 C ATOM 2532 CE1 PHE B 76 -9.665 -10.318 4.430 1.00 39.67 C ATOM 2533 CE2 PHE B 76 -8.200 -10.684 2.557 1.00 39.67 C ATOM 2534 CZ PHE B 76 -8.571 -10.979 3.852 1.00 39.91 C ATOM 2535 HA PHE B 76 -11.949 -7.161 3.162 1.00 0.00 H ATOM 2536 HB2 PHE B 76 -11.665 -8.590 1.171 1.00 0.00 H ATOM 2537 HB3 PHE B 76 -10.166 -7.722 0.765 1.00 0.00 H ATOM 2538 HD2 PHE B 76 -8.672 -9.526 0.787 1.00 0.00 H ATOM 2539 HE2 PHE B 76 -7.343 -11.182 2.104 1.00 0.00 H ATOM 2540 HZ PHE B 76 -8.016 -11.723 4.424 1.00 0.00 H ATOM 2541 HE1 PHE B 76 -9.952 -10.544 5.457 1.00 0.00 H ATOM 2542 HD1 PHE B 76 -11.249 -8.900 4.161 1.00 0.00 H ATOM 2543 H PHE B 76 -12.117 -6.264 0.415 1.00 0.00 H ATOM 2544 N VAL B 77 -9.373 -5.373 2.098 1.00 37.00 N ATOM 2545 CA VAL B 77 -8.288 -4.498 2.571 1.00 38.21 C ATOM 2546 C VAL B 77 -8.811 -3.409 3.523 1.00 39.61 C ATOM 2547 O VAL B 77 -8.201 -3.156 4.568 1.00 41.18 O ATOM 2548 CB VAL B 77 -7.539 -3.835 1.397 1.00 39.06 C ATOM 2549 CG1 VAL B 77 -6.451 -2.889 1.897 1.00 41.95 C ATOM 2550 CG2 VAL B 77 -6.946 -4.896 0.490 1.00 38.96 C ATOM 2551 HA VAL B 77 -7.593 -5.137 3.116 1.00 0.00 H ATOM 2552 HB VAL B 77 -8.256 -3.244 0.828 1.00 0.00 H ATOM 2553 HG11 VAL B 77 -6.903 -2.107 2.506 1.00 0.00 H ATOM 2554 HG12 VAL B 77 -5.732 -3.448 2.496 1.00 0.00 H ATOM 2555 HG13 VAL B 77 -5.943 -2.439 1.044 1.00 0.00 H ATOM 2556 HG21 VAL B 77 -6.248 -5.510 1.059 1.00 0.00 H ATOM 2557 HG22 VAL B 77 -7.745 -5.523 0.096 1.00 0.00 H ATOM 2558 HG23 VAL B 77 -6.420 -4.415 -0.335 1.00 0.00 H ATOM 2559 H VAL B 77 -9.531 -5.481 1.076 1.00 0.00 H ATOM 2560 N ALA B 78 -9.922 -2.767 3.158 1.00 38.55 N ATOM 2561 CA ALA B 78 -10.582 -1.794 4.048 1.00 40.51 C ATOM 2562 C ALA B 78 -10.904 -2.401 5.417 1.00 40.73 C ATOM 2563 O ALA B 78 -10.661 -1.765 6.443 1.00 43.25 O ATOM 2564 CB ALA B 78 -11.836 -1.229 3.400 1.00 41.37 C ATOM 2565 HA ALA B 78 -9.880 -0.976 4.211 1.00 0.00 H ATOM 2566 HB1 ALA B 78 -11.569 -0.728 2.470 1.00 0.00 H ATOM 2567 HB2 ALA B 78 -12.532 -2.041 3.190 1.00 0.00 H ATOM 2568 HB3 ALA B 78 -12.303 -0.514 4.078 1.00 0.00 H ATOM 2569 H ALA B 78 -10.333 -2.958 2.222 1.00 0.00 H ATOM 2570 N MET B 79 -11.409 -3.634 5.428 1.00 44.40 N ATOM 2571 CA MET B 79 -11.720 -4.357 6.683 1.00 47.84 C ATOM 2572 C MET B 79 -10.488 -4.534 7.556 1.00 48.34 C ATOM 2573 O MET B 79 -10.530 -4.307 8.763 1.00 51.40 O ATOM 2574 CB MET B 79 -12.325 -5.736 6.408 1.00 50.23 C ATOM 2575 CG MET B 79 -13.722 -5.735 5.807 1.00 52.22 C ATOM 2576 SD MET B 79 -14.231 -7.401 5.338 1.00 58.82 S ATOM 2577 CE MET B 79 -15.506 -7.032 4.126 1.00 58.50 C ATOM 2578 HA MET B 79 -12.448 -3.741 7.210 1.00 0.00 H ATOM 2579 HB2 MET B 79 -11.664 -6.261 5.718 1.00 0.00 H ATOM 2580 HB3 MET B 79 -12.367 -6.278 7.353 1.00 0.00 H ATOM 2581 HG2 MET B 79 -13.728 -5.099 4.922 1.00 0.00 H ATOM 2582 HG3 MET B 79 -14.425 -5.341 6.541 1.00 0.00 H ATOM 2583 HE1 MET B 79 -16.297 -6.449 4.598 1.00 0.00 H ATOM 2584 HE2 MET B 79 -15.072 -6.460 3.306 1.00 0.00 H ATOM 2585 HE3 MET B 79 -15.920 -7.964 3.741 1.00 0.00 H ATOM 2586 H MET B 79 -11.592 -4.107 4.520 1.00 0.00 H ATOM 2587 N ILE B 80 -9.389 -4.947 6.933 1.00 46.99 N ATOM 2588 CA ILE B 80 -8.147 -5.231 7.653 1.00 48.09 C ATOM 2589 C ILE B 80 -7.580 -3.929 8.222 1.00 48.98 C ATOM 2590 O ILE B 80 -7.184 -3.874 9.390 1.00 52.02 O ATOM 2591 CB ILE B 80 -7.113 -5.876 6.715 1.00 48.09 C ATOM 2592 CG1 ILE B 80 -7.615 -7.244 6.241 1.00 49.35 C ATOM 2593 CG2 ILE B 80 -5.742 -5.988 7.397 1.00 49.87 C ATOM 2594 CD1 ILE B 80 -6.839 -7.811 5.050 1.00 49.59 C ATOM 2595 HA ILE B 80 -8.363 -5.926 8.464 1.00 0.00 H ATOM 2596 HB ILE B 80 -6.988 -5.236 5.842 1.00 0.00 H ATOM 2597 HG12 ILE B 80 -7.533 -7.946 7.070 1.00 0.00 H ATOM 2598 HG13 ILE B 80 -8.662 -7.145 5.953 1.00 0.00 H ATOM 2599 HD11 ILE B 80 -6.921 -7.126 4.206 1.00 0.00 H ATOM 2600 HD12 ILE B 80 -5.791 -7.929 5.324 1.00 0.00 H ATOM 2601 HD13 ILE B 80 -7.255 -8.780 4.775 1.00 0.00 H ATOM 2602 HG21 ILE B 80 -5.392 -4.993 7.671 1.00 0.00 H ATOM 2603 HG22 ILE B 80 -5.832 -6.603 8.293 1.00 0.00 H ATOM 2604 HG23 ILE B 80 -5.032 -6.448 6.709 1.00 0.00 H ATOM 2605 H ILE B 80 -9.412 -5.072 5.901 1.00 0.00 H ATOM 2606 N THR B 81 -7.552 -2.890 7.393 1.00 47.80 N ATOM 2607 CA THR B 81 -6.928 -1.615 7.758 1.00 50.94 C ATOM 2608 C THR B 81 -7.674 -0.953 8.902 1.00 54.20 C ATOM 2609 O THR B 81 -7.063 -0.336 9.788 1.00 58.63 O ATOM 2610 CB THR B 81 -6.889 -0.640 6.574 1.00 52.05 C ATOM 2611 OG1 THR B 81 -8.229 -0.368 6.137 1.00 51.57 O ATOM 2612 CG2 THR B 81 -6.094 -1.222 5.428 1.00 51.24 C ATOM 2613 HA THR B 81 -5.907 -1.846 8.063 1.00 0.00 H ATOM 2614 HB THR B 81 -6.408 0.283 6.897 1.00 0.00 H ATOM 2615 HG1 THR B 81 -8.661 -1.213 5.856 1.00 0.00 H ATOM 2616 HG23 THR B 81 -5.077 -1.428 5.761 1.00 0.00 H ATOM 2617 HG21 THR B 81 -6.563 -2.148 5.095 1.00 0.00 H ATOM 2618 HG22 THR B 81 -6.071 -0.508 4.604 1.00 0.00 H ATOM 2619 H THR B 81 -7.988 -2.985 6.453 1.00 0.00 H ATOM 2620 N THR B 82 -8.997 -1.069 8.871 1.00 54.06 N ATOM 2621 CA THR B 82 -9.848 -0.525 9.925 1.00 59.23 C ATOM 2622 C THR B 82 -9.670 -1.282 11.248 1.00 62.26 C ATOM 2623 O THR B 82 -9.686 -0.685 12.309 1.00 67.84 O ATOM 2624 CB THR B 82 -11.319 -0.484 9.484 1.00 59.68 C ATOM 2625 OG1 THR B 82 -11.414 0.311 8.295 1.00 58.01 O ATOM 2626 CG2 THR B 82 -12.203 0.135 10.566 1.00 68.04 C ATOM 2627 HA THR B 82 -9.531 0.502 10.105 1.00 0.00 H ATOM 2628 HB THR B 82 -11.661 -1.503 9.303 1.00 0.00 H ATOM 2629 HG1 THR B 82 -10.858 -0.094 7.583 1.00 0.00 H ATOM 2630 HG23 THR B 82 -12.137 -0.464 11.474 1.00 0.00 H ATOM 2631 HG21 THR B 82 -11.865 1.150 10.773 1.00 0.00 H ATOM 2632 HG22 THR B 82 -13.236 0.159 10.220 1.00 0.00 H ATOM 2633 H THR B 82 -9.441 -1.563 8.070 1.00 0.00 H ATOM 2634 N ALA B 83 -9.475 -2.591 11.191 1.00 61.06 N ATOM 2635 CA ALA B 83 -9.252 -3.349 12.425 1.00 66.00 C ATOM 2636 C ALA B 83 -7.942 -2.970 13.151 1.00 67.67 C ATOM 2637 O ALA B 83 -7.638 -3.539 14.199 1.00 72.01 O ATOM 2638 CB ALA B 83 -9.312 -4.841 12.149 1.00 65.98 C ATOM 2639 HA ALA B 83 -10.059 -3.079 13.106 1.00 0.00 H ATOM 2640 HB1 ALA B 83 -10.293 -5.096 11.748 1.00 0.00 H ATOM 2641 HB2 ALA B 83 -8.542 -5.107 11.425 1.00 0.00 H ATOM 2642 HB3 ALA B 83 -9.144 -5.388 13.077 1.00 0.00 H ATOM 2643 H ALA B 83 -9.480 -3.079 10.273 1.00 0.00 H ATOM 2644 N CYS B 84 -7.217 -1.961 12.644 1.00 67.08 N ATOM 2645 CA CYS B 84 -5.800 -1.783 12.991 1.00 67.85 C ATOM 2646 C CYS B 84 -5.049 -0.458 12.668 1.00 69.95 C ATOM 2647 O CYS B 84 -3.835 -0.415 12.876 1.00 69.74 O ATOM 2648 CB CYS B 84 -5.059 -2.900 12.241 1.00 64.19 C ATOM 2649 SG CYS B 84 -3.324 -2.613 11.798 1.00 66.39 S ATOM 2650 HA CYS B 84 -5.801 -1.786 14.081 1.00 0.00 H ATOM 2651 HB2 CYS B 84 -5.604 -3.088 11.316 1.00 0.00 H ATOM 2652 HB3 CYS B 84 -5.092 -3.791 12.868 1.00 0.00 H ATOM 2653 HG CYS B 84 -3.237 -1.506 10.978 1.00 0.00 H ATOM 2654 H CYS B 84 -7.668 -1.290 11.990 1.00 0.00 H ATOM 2655 N HIS B 85 -5.677 0.659 12.290 1.00 72.77 N ATOM 2656 CA HIS B 85 -6.617 1.510 13.046 1.00 79.34 C ATOM 2657 C HIS B 85 -7.861 1.054 13.827 1.00 81.36 C ATOM 2658 O HIS B 85 -8.988 1.344 13.417 1.00 82.77 O ATOM 2659 CB HIS B 85 -6.961 2.746 12.188 1.00 82.74 C ATOM 2660 CG HIS B 85 -7.106 4.003 12.984 1.00 94.16 C ATOM 2661 ND1 HIS B 85 -6.100 4.490 13.794 1.00101.49 N ATOM 2662 CD2 HIS B 85 -8.137 4.873 13.102 1.00101.65 C ATOM 2663 CE1 HIS B 85 -6.509 5.600 14.382 1.00111.71 C ATOM 2664 NE2 HIS B 85 -7.740 5.856 13.977 1.00113.05 N ATOM 2665 HA HIS B 85 -5.992 1.624 13.932 1.00 0.00 H ATOM 2666 HB2 HIS B 85 -6.166 2.890 11.456 1.00 0.00 H ATOM 2667 HB3 HIS B 85 -7.900 2.556 11.669 1.00 0.00 H ATOM 2668 HD2 HIS B 85 -9.101 4.806 12.598 1.00 0.00 H ATOM 2669 HE1 HIS B 85 -5.930 6.202 15.082 1.00 0.00 H ATOM 2670 H HIS B 85 -5.474 0.976 11.320 1.00 0.00 H ATOM 2671 N GLU B 86 -7.634 0.448 14.989 1.00 83.98 N ATOM 2672 CA GLU B 86 -8.651 0.233 16.036 1.00 90.71 C ATOM 2673 C GLU B 86 -7.988 -0.457 17.219 1.00 94.00 C ATOM 2674 O GLU B 86 -8.133 -0.025 18.376 1.00102.86 O ATOM 2675 CB GLU B 86 -9.837 -0.609 15.549 1.00 88.63 C ATOM 2676 CG GLU B 86 -11.149 0.161 15.451 1.00 94.54 C ATOM 2677 CD GLU B 86 -12.262 -0.633 14.780 1.00 92.78 C ATOM 2678 OE1 GLU B 86 -12.152 -1.877 14.690 1.00 90.91 O ATOM 2679 OE2 GLU B 86 -13.253 -0.009 14.343 1.00 95.97 O ATOM 2680 HA GLU B 86 -9.051 1.207 16.320 1.00 0.00 H ATOM 2681 HB2 GLU B 86 -9.596 -1.002 14.561 1.00 0.00 H ATOM 2682 HB3 GLU B 86 -9.977 -1.437 16.243 1.00 0.00 H ATOM 2683 HG2 GLU B 86 -11.471 0.427 16.458 1.00 0.00 H ATOM 2684 HG3 GLU B 86 -10.975 1.070 14.875 1.00 0.00 H ATOM 2685 H GLU B 86 -6.671 0.101 15.173 1.00 0.00 H ATOM 2686 N PHE B 87 -7.259 -1.531 16.899 1.00 88.09 N ATOM 2687 CA PHE B 87 -6.472 -2.308 17.851 1.00 90.78 C ATOM 2688 C PHE B 87 -5.530 -1.427 18.678 1.00 95.17 C ATOM 2689 O PHE B 87 -5.241 -0.163 18.163 1.00 94.46 O ATOM 2690 CB PHE B 87 -5.670 -3.374 17.089 1.00 84.68 C ATOM 2691 CG PHE B 87 -4.980 -4.373 17.976 1.00 89.02 C ATOM 2692 CD1 PHE B 87 -5.682 -5.447 18.519 1.00 95.00 C ATOM 2693 CD2 PHE B 87 -3.624 -4.245 18.265 1.00 89.40 C ATOM 2694 CE1 PHE B 87 -5.044 -6.375 19.346 1.00100.96 C ATOM 2695 CE2 PHE B 87 -2.978 -5.169 19.089 1.00 94.30 C ATOM 2696 CZ PHE B 87 -3.690 -6.234 19.630 1.00 99.75 C ATOM 2697 HA PHE B 87 -7.159 -2.784 18.551 1.00 0.00 H ATOM 2698 HB2 PHE B 87 -6.353 -3.913 16.433 1.00 0.00 H ATOM 2699 HB3 PHE B 87 -4.914 -2.869 16.488 1.00 0.00 H ATOM 2700 HD2 PHE B 87 -3.060 -3.413 17.843 1.00 0.00 H ATOM 2701 HE2 PHE B 87 -1.916 -5.056 19.308 1.00 0.00 H ATOM 2702 HZ PHE B 87 -3.188 -6.956 20.275 1.00 0.00 H ATOM 2703 HE1 PHE B 87 -5.607 -7.208 19.768 1.00 0.00 H ATOM 2704 HD1 PHE B 87 -6.742 -5.565 18.296 1.00 0.00 H ATOM 2705 H PHE B 87 -7.252 -1.833 15.904 1.00 0.00 H TER 2706 PHE B 87 HETATM 2707 CA CA A 1 -17.642 11.991 6.248 1.00 45.36 CA HETATM 2708 CA CA A 2 -8.335 16.719 10.605 1.00 41.80 CA HETATM 2709 CA CA A 3 -17.642 -11.991 -6.248 1.00 45.36 CA HETATM 2710 CA CA A 4 -8.335 -16.719 -10.605 1.00 41.80 CA HETATM 2711 O HOH 5 -17.735 19.854 -0.381 1.00 42.24 O HETATM 2712 O HOH 6 -18.864 7.004 5.583 1.00 59.68 O HETATM 2713 O HOH 7 2.541 9.076 0.794 1.00 45.77 O HETATM 2714 O HOH 8 -15.639 7.869 0.136 1.00 38.81 O HETATM 2715 O HOH 9 -7.958 16.449 -9.698 1.00 55.45 O HETATM 2716 O HOH 10 -1.942 15.531 -7.418 1.00 37.95 O HETATM 2717 O HOH 11 -5.186 5.672 -11.026 1.00 50.37 O HETATM 2718 O HOH 12 2.871 12.203 -5.587 1.00 41.36 O HETATM 2719 O HOH 13 -8.157 22.355 -9.832 1.00 42.71 O HETATM 2720 O HOH 14 -10.399 28.716 -6.187 1.00 47.46 O HETATM 2721 O HOH 15 2.322 15.671 6.427 1.00 51.24 O HETATM 2722 O HOH 16 -16.772 11.358 8.112 1.00 44.93 O HETATM 2723 O HOH 17 -2.828 23.914 -5.560 1.00 46.42 O HETATM 2724 O HOH 18 4.351 4.991 5.074 1.00 72.74 O HETATM 2725 O HOH 19 -1.656 22.084 -2.321 1.00 51.94 O HETATM 2726 O HOH 20 -11.493 7.971 10.486 1.00 48.57 O HETATM 2727 O HOH 21 -3.029 21.273 5.418 1.00 65.11 O HETATM 2728 O HOH 22 -10.672 23.258 4.968 1.00 44.08 O HETATM 2729 O HOH 23 -21.473 14.439 0.056 1.00 48.50 O HETATM 2730 O HOH 24 0.054 17.365 -7.350 1.00 45.25 O HETATM 2731 O HOH 25 -8.621 4.547 -16.480 1.00 79.21 O HETATM 2732 O HOH 26 -7.514 19.555 -10.712 1.00 44.91 O HETATM 2733 O HOH 27 -11.417 24.427 1.373 1.00 50.39 O HETATM 2734 O HOH 28 -13.401 27.372 -8.079 1.00 49.32 O HETATM 2735 O HOH 29 -17.655 6.025 0.849 1.00 50.63 O HETATM 2736 O HOH 30 -19.510 20.741 -4.638 1.00 56.73 O HETATM 2737 O HOH 31 -10.413 17.958 10.204 1.00 47.98 O HETATM 2738 O HOH 32 -12.330 19.191 11.883 1.00 57.94 O HETATM 2739 O HOH 33 -14.483 1.845 3.271 1.00 53.54 O HETATM 2740 O HOH 34 -14.966 2.973 -3.999 1.00 52.98 O HETATM 2741 O HOH 35 -20.238 7.226 9.521 1.00 67.91 O HETATM 2742 O HOH 36 -6.594 26.442 -11.919 1.00 70.67 O HETATM 2743 O HOH 37 -2.834 -1.964 -13.613 1.00 78.29 O HETATM 2744 O HOH 38 -4.882 -0.644 -15.900 1.00447.11 O HETATM 2745 O HOH 39 -15.336 14.189 -8.546 1.00 81.55 O HETATM 2746 O HOH 40 -8.917 24.169 0.599 1.00 52.14 O HETATM 2747 O HOH 41 -0.195 17.884 14.235 1.00 52.11 O HETATM 2748 O HOH 42 5.376 12.309 -4.236 1.00 53.84 O HETATM 2749 O HOH 43 -18.251 7.202 8.071 1.00 55.02 O HETATM 2750 O HOH 44 -2.710 -0.844 -17.524 1.00 69.28 O HETATM 2751 O HOH 45 -9.010 23.516 -11.814 1.00 64.23 O HETATM 2752 O HOH 46 -9.367 14.369 17.623 1.00 56.70 O HETATM 2753 O HOH 47 -6.906 -2.067 -20.567 1.00 60.39 O HETATM 2754 O HOH 48 -18.723 18.883 1.630 1.00 52.95 O HETATM 2755 O HOH 49 0.055 19.657 14.762 1.00 72.33 O HETATM 2756 O HOH 50 -14.955 0.545 1.177 1.00 67.13 O HETATM 2757 O HOH 51 -20.762 16.443 1.852 1.00 56.92 O HETATM 2758 O HOH 52 -17.735 -19.854 0.381 1.00 42.24 O HETATM 2759 O HOH 53 -18.864 -7.004 -5.583 1.00 59.68 O HETATM 2760 O HOH 54 2.541 -9.076 -0.794 1.00 45.77 O HETATM 2761 O HOH 55 -15.639 -7.869 -0.136 1.00 38.81 O HETATM 2762 O HOH 56 -7.958 -16.449 9.698 1.00 55.45 O HETATM 2763 O HOH 57 -1.942 -15.531 7.418 1.00 37.95 O HETATM 2764 O HOH 58 -5.186 -5.672 11.026 1.00 50.37 O HETATM 2765 O HOH 59 2.871 -12.203 5.587 1.00 41.36 O HETATM 2766 O HOH 60 -8.157 -22.355 9.832 1.00 42.71 O HETATM 2767 O HOH 61 -10.399 -28.716 6.187 1.00 47.46 O HETATM 2768 O HOH 62 2.322 -15.671 -6.427 1.00 51.24 O HETATM 2769 O HOH 63 -16.772 -11.358 -8.112 1.00 44.93 O HETATM 2770 O HOH 64 -2.828 -23.914 5.560 1.00 46.42 O HETATM 2771 O HOH 65 4.351 -4.991 -5.074 1.00 72.74 O HETATM 2772 O HOH 66 -1.656 -22.084 2.321 1.00 51.94 O HETATM 2773 O HOH 67 -11.493 -7.971 -10.486 1.00 48.57 O HETATM 2774 O HOH 68 -3.029 -21.273 -5.418 1.00 65.11 O HETATM 2775 O HOH 69 -10.672 -23.258 -4.968 1.00 44.08 O HETATM 2776 O HOH 70 -21.473 -14.439 -0.056 1.00 48.50 O HETATM 2777 O HOH 71 0.054 -17.365 7.350 1.00 45.25 O HETATM 2778 O HOH 72 -8.621 -4.547 16.480 1.00 79.21 O HETATM 2779 O HOH 73 -7.514 -19.555 10.712 1.00 44.91 O HETATM 2780 O HOH 74 -11.417 -24.427 -1.373 1.00 50.39 O HETATM 2781 O HOH 75 -13.401 -27.372 8.079 1.00 49.32 O HETATM 2782 O HOH 76 -17.655 -6.025 -0.849 1.00 50.63 O HETATM 2783 O HOH 77 -19.510 -20.741 4.638 1.00 56.73 O HETATM 2784 O HOH 78 -10.413 -17.958 -10.204 1.00 47.98 O HETATM 2785 O HOH 79 -12.330 -19.191 -11.883 1.00 57.94 O HETATM 2786 O HOH 80 -14.483 -1.845 -3.271 1.00 53.54 O HETATM 2787 O HOH 81 -14.966 -2.973 3.999 1.00 52.98 O HETATM 2788 O HOH 82 -20.238 -7.226 -9.521 1.00 67.91 O HETATM 2789 O HOH 83 -6.594 -26.442 11.919 1.00 70.67 O HETATM 2790 O HOH 84 -2.834 1.964 13.613 1.00 78.29 O HETATM 2791 O HOH 85 -4.882 0.644 15.900 1.00447.11 O HETATM 2792 O HOH 86 -15.336 -14.189 8.546 1.00 81.55 O HETATM 2793 O HOH 87 -8.917 -24.169 -0.599 1.00 52.14 O HETATM 2794 O HOH 88 5.376 -12.309 4.236 1.00 53.84 O HETATM 2795 O HOH 89 -18.251 -7.202 -8.071 1.00 55.02 O HETATM 2796 O HOH 90 -2.710 0.844 17.524 1.00 69.28 O HETATM 2797 O HOH 91 -9.010 -23.516 11.814 1.00 64.23 O HETATM 2798 O HOH 92 -9.367 -14.369 -17.623 1.00 56.70 O HETATM 2799 O HOH 93 -6.906 2.067 20.567 1.00 60.39 O HETATM 2800 O HOH 94 -18.723 -18.883 -1.630 1.00 52.95 O HETATM 2801 O HOH 95 -14.955 -0.545 -1.177 1.00 67.13 O HETATM 2802 O HOH 96 -20.762 -16.443 -1.852 1.00 56.92 O HETATM 2803 SD JKE A 97 -14.479 9.468 -9.193 1.00 -0.12 S HETATM 2804 CE1 JKE A 97 -13.485 10.549 -8.344 1.00 0.03 C HETATM 2805 CZ JKE A 97 -12.009 10.554 -8.537 1.00 0.02 C HETATM 2806 CG JKE A 97 -11.350 9.602 -9.485 1.00 0.06 C HETATM 2807 OD1 JKE A 97 -11.538 9.738 -10.711 1.00 -0.56 O HETATM 2808 OD2 JKE A 97 -10.630 8.694 -9.019 1.00 -0.56 O HETATM 2809 CE2 JKE A 97 -11.239 11.460 -7.816 1.00 -0.05 C HETATM 2810 CD2 JKE A 97 -11.852 12.342 -6.930 1.00 -0.07 C HETATM 2811 CG1 JKE A 97 -13.234 12.336 -6.746 1.00 -0.07 C HETATM 2812 CD1 JKE A 97 -14.048 11.449 -7.446 1.00 -0.05 C HETATM 2813 H2 JKE A 97 -15.121 11.460 -7.291 1.00 0.06 H HETATM 2814 H5 JKE A 97 -13.682 13.033 -6.047 1.00 0.06 H HETATM 2815 H3 JKE A 97 -11.244 13.046 -6.373 1.00 0.06 H HETATM 2816 H4 JKE A 97 -10.163 11.480 -7.944 1.00 0.06 H HETATM 2817 H1 JKE A 97 -15.440 9.618 -8.928 1.00 0.12 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 285 284 2708 CONECT 327 326 2708 CONECT 349 348 2708 CONECT 399 398 2708 CONECT 983 982 2707 CONECT 1006 1005 2707 CONECT 1025 1024 2707 CONECT 1041 1040 2707 CONECT 1354 1355 1362 1363 1364 CONECT 1362 1354 CONECT 1363 1354 CONECT 1364 1354 CONECT 1638 1637 2710 CONECT 1680 1679 2710 CONECT 1702 1701 2710 CONECT 1752 1751 2710 CONECT 2336 2335 2709 CONECT 2359 2358 2709 CONECT 2378 2377 2709 CONECT 2394 2393 2709 CONECT 2707 983 1006 1025 1041 CONECT 2708 285 327 349 399 CONECT 2709 2336 2359 2378 2394 CONECT 2710 1638 1680 1702 1752 CONECT 2803 2804 2817 CONECT 2804 2803 2805 2812 CONECT 2805 2804 2806 2809 CONECT 2806 2805 2807 2808 CONECT 2807 2806 CONECT 2808 2806 CONECT 2809 2805 2810 2816 CONECT 2810 2809 2811 2815 CONECT 2811 2810 2812 2814 CONECT 2812 2804 2811 2813 CONECT 2813 2812 CONECT 2814 2811 CONECT 2815 2810 CONECT 2816 2809 CONECT 2817 2803 MASTER 0 0 0 0 0 0 0 0 2815 2 43 14 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3lk1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bovine Protein S100-B with Ca2+
Ligand Name
JKE&EMC
EC.Number
E.C.-.-.-.-
Resolution
1.79(Å)
Affinity (Kd/Ki/IC50)
Kd=55.2uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Int J High Throughput Screen Vol. 2010: pp. 109-126
Ligand Properties
Formula
C
7
H
6
O
2
S
Molecular Weight
154.186
Exact Mass
154.009
No. of atoms
16
No. of bonds
16
Polar Surface Area
76.1
LOGP Value
2.68 (
Computed with XLOGP3
)
1.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
OC(=O)c1ccccc1S
InChI String
InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P02638
Entrez Gene ID
NCBI Entrez Gene ID:
525716
ASD
Information of known allosteric effects of PDB entries
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