Browse entries in the PDBbind-CN Database
HEADER 1D4T_COMPLEX COMPND 1D4T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 MET ASP ALA VAL ALA VAL TYR HIS GLY LYS ILE SER ARG SEQRES 2 A 104 GLU THR GLY GLU LYS LEU LEU LEU ALA THR GLY LEU ASP SEQRES 3 A 104 GLY SER TYR LEU LEU ARG ASP SER GLU SER VAL PRO GLY SEQRES 4 A 104 VAL TYR CYS LEU CYS VAL LEU TYR HIS GLY TYR ILE TYR SEQRES 5 A 104 THR TYR ARG VAL SER GLN THR GLU THR GLY SER TRP SER SEQRES 6 A 104 ALA GLU THR ALA PRO GLY VAL HIS LYS ARG TYR PHE ARG SEQRES 7 A 104 LYS ILE LYS ASN LEU ILE SER ALA PHE GLN LYS PRO ASP SEQRES 8 A 104 GLN GLY ILE VAL ILE PRO LEU GLN TYR PRO VAL GLU LYS HET LYS A 341 191 ATOM 1 N MET A 1 4.673 5.689 24.258 1.00 29.45 N ATOM 2 CA MET A 1 3.497 6.341 23.689 1.00 21.01 C ATOM 3 C MET A 1 2.315 5.980 24.582 1.00 22.95 C ATOM 4 O MET A 1 1.780 4.853 24.480 1.00 24.22 O ATOM 5 CB MET A 1 3.275 5.837 22.283 1.00 20.73 C ATOM 6 CG MET A 1 4.488 5.969 21.370 1.00 19.72 C ATOM 7 SD MET A 1 4.027 5.284 19.772 1.00 24.05 S ATOM 8 CE MET A 1 5.271 6.112 18.769 1.00 22.92 C ATOM 9 HA MET A 1 3.621 7.423 23.642 1.00 0.00 H ATOM 10 HB2 MET A 1 3.001 4.783 22.337 1.00 0.00 H ATOM 11 HB3 MET A 1 2.453 6.402 21.843 1.00 0.00 H ATOM 12 HG2 MET A 1 5.330 5.416 21.785 1.00 0.00 H ATOM 13 HG3 MET A 1 4.762 7.018 21.262 1.00 0.00 H ATOM 14 HE1 MET A 1 5.147 7.191 18.857 1.00 0.00 H ATOM 15 HE2 MET A 1 6.264 5.830 19.118 1.00 0.00 H ATOM 16 HE3 MET A 1 5.153 5.815 17.727 1.00 0.00 H ATOM 17 HN3 MET A 1 4.524 4.660 24.274 1.00 0.00 H ATOM 18 HN2 MET A 1 4.824 6.034 25.227 1.00 0.00 H ATOM 19 HN1 MET A 1 5.506 5.910 23.676 1.00 0.00 H ATOM 20 N ASP A 2 1.885 6.861 25.486 1.00 24.55 N ATOM 21 CA ASP A 2 0.937 6.398 26.479 1.00 25.93 C ATOM 22 C ASP A 2 -0.454 6.173 25.899 1.00 26.51 C ATOM 23 O ASP A 2 -1.269 5.523 26.572 1.00 36.54 O ATOM 24 CB ASP A 2 0.868 7.407 27.652 1.00 32.30 C ATOM 25 CG ASP A 2 2.246 7.508 28.282 1.00 32.31 C ATOM 26 OD1 ASP A 2 3.031 6.534 28.288 1.00 39.86 O ATOM 27 OD2 ASP A 2 2.541 8.611 28.780 1.00 33.95 O ATOM 28 HA ASP A 2 1.292 5.433 26.841 1.00 0.00 H ATOM 29 HB2 ASP A 2 0.561 8.384 27.279 1.00 0.00 H ATOM 30 HB3 ASP A 2 0.149 7.060 28.394 1.00 0.00 H ATOM 31 H ASP A 2 2.218 7.846 25.478 1.00 0.00 H ATOM 32 N ALA A 3 -0.810 6.667 24.691 1.00 27.24 N ATOM 33 CA ALA A 3 -2.171 6.568 24.175 1.00 27.84 C ATOM 34 C ALA A 3 -2.361 5.541 23.054 1.00 23.53 C ATOM 35 O ALA A 3 -3.410 5.528 22.393 1.00 28.54 O ATOM 36 CB ALA A 3 -2.679 7.892 23.580 1.00 33.21 C ATOM 37 HA ALA A 3 -2.727 6.268 25.063 1.00 0.00 H ATOM 38 HB1 ALA A 3 -2.669 8.663 24.351 1.00 0.00 H ATOM 39 HB2 ALA A 3 -2.030 8.191 22.757 1.00 0.00 H ATOM 40 HB3 ALA A 3 -3.696 7.757 23.212 1.00 0.00 H ATOM 41 H ALA A 3 -0.087 7.135 24.108 1.00 0.00 H ATOM 42 N VAL A 4 -1.332 4.724 22.902 1.00 19.57 N ATOM 43 CA VAL A 4 -1.235 3.796 21.792 1.00 18.96 C ATOM 44 C VAL A 4 -1.258 2.392 22.379 1.00 19.43 C ATOM 45 O VAL A 4 -0.262 1.898 22.924 1.00 18.72 O ATOM 46 CB VAL A 4 0.024 4.124 20.953 1.00 18.83 C ATOM 47 CG1 VAL A 4 0.169 3.084 19.857 1.00 22.16 C ATOM 48 CG2 VAL A 4 -0.044 5.574 20.468 1.00 22.54 C ATOM 49 HA VAL A 4 -2.070 3.877 21.096 1.00 0.00 H ATOM 50 HB VAL A 4 0.936 4.064 21.547 1.00 0.00 H ATOM 51 HG11 VAL A 4 0.272 2.096 20.306 1.00 0.00 H ATOM 52 HG12 VAL A 4 -0.715 3.104 19.220 1.00 0.00 H ATOM 53 HG13 VAL A 4 1.054 3.307 19.261 1.00 0.00 H ATOM 54 HG21 VAL A 4 -0.934 5.709 19.854 1.00 0.00 H ATOM 55 HG22 VAL A 4 -0.090 6.242 21.328 1.00 0.00 H ATOM 56 HG23 VAL A 4 0.844 5.800 19.878 1.00 0.00 H ATOM 57 H VAL A 4 -0.565 4.748 23.604 1.00 0.00 H ATOM 58 N ALA A 5 -2.455 1.776 22.309 1.00 21.29 N ATOM 59 CA ALA A 5 -2.625 0.498 23.004 1.00 21.23 C ATOM 60 C ALA A 5 -1.721 -0.579 22.391 1.00 18.20 C ATOM 61 O ALA A 5 -1.383 -1.576 23.090 1.00 19.49 O ATOM 62 CB ALA A 5 -4.081 0.069 23.044 1.00 26.19 C ATOM 63 HA ALA A 5 -2.315 0.635 24.040 1.00 0.00 H ATOM 64 HB1 ALA A 5 -4.667 0.825 23.567 1.00 0.00 H ATOM 65 HB2 ALA A 5 -4.454 -0.042 22.026 1.00 0.00 H ATOM 66 HB3 ALA A 5 -4.164 -0.883 23.568 1.00 0.00 H ATOM 67 H ALA A 5 -3.240 2.199 21.774 1.00 0.00 H ATOM 68 N VAL A 6 -1.331 -0.445 21.130 1.00 14.95 N ATOM 69 CA VAL A 6 -0.426 -1.450 20.529 1.00 13.21 C ATOM 70 C VAL A 6 1.024 -1.191 20.829 1.00 11.90 C ATOM 71 O VAL A 6 1.869 -1.874 20.221 1.00 13.29 O ATOM 72 CB VAL A 6 -0.596 -1.565 18.989 1.00 13.97 C ATOM 73 CG1 VAL A 6 -2.014 -2.048 18.748 1.00 16.56 C ATOM 74 CG2 VAL A 6 -0.241 -0.289 18.227 1.00 15.68 C ATOM 75 HA VAL A 6 -0.721 -2.390 20.995 1.00 0.00 H ATOM 76 HB VAL A 6 0.121 -2.280 18.585 1.00 0.00 H ATOM 77 HG11 VAL A 6 -2.154 -3.016 19.230 1.00 0.00 H ATOM 78 HG12 VAL A 6 -2.718 -1.328 19.166 1.00 0.00 H ATOM 79 HG13 VAL A 6 -2.186 -2.146 17.676 1.00 0.00 H ATOM 80 HG21 VAL A 6 -0.885 0.524 18.562 1.00 0.00 H ATOM 81 HG22 VAL A 6 0.801 -0.031 18.418 1.00 0.00 H ATOM 82 HG23 VAL A 6 -0.387 -0.453 17.159 1.00 0.00 H ATOM 83 H VAL A 6 -1.660 0.364 20.565 1.00 0.00 H ATOM 84 N TYR A 7 1.364 -0.260 21.709 1.00 11.80 N ATOM 85 CA TYR A 7 2.747 0.020 22.030 1.00 11.26 C ATOM 86 C TYR A 7 3.226 -0.818 23.204 1.00 11.34 C ATOM 87 O TYR A 7 2.652 -0.761 24.281 1.00 14.43 O ATOM 88 CB TYR A 7 2.951 1.515 22.341 1.00 12.31 C ATOM 89 CG TYR A 7 4.354 1.872 22.793 1.00 12.60 C ATOM 90 CD1 TYR A 7 5.468 1.752 21.999 1.00 11.70 C ATOM 91 CD2 TYR A 7 4.595 2.322 24.084 1.00 12.91 C ATOM 92 CE1 TYR A 7 6.742 2.046 22.430 1.00 12.25 C ATOM 93 CE2 TYR A 7 5.847 2.667 24.548 1.00 14.00 C ATOM 94 CZ TYR A 7 6.919 2.533 23.709 1.00 12.86 C ATOM 95 OH TYR A 7 8.129 2.898 24.211 1.00 15.44 O ATOM 96 HA TYR A 7 3.339 -0.243 21.153 1.00 0.00 H ATOM 97 HB3 TYR A 7 2.255 1.798 23.131 1.00 0.00 H ATOM 98 HB2 TYR A 7 2.727 2.085 21.440 1.00 0.00 H ATOM 99 HD2 TYR A 7 3.750 2.407 24.767 1.00 0.00 H ATOM 100 HE2 TYR A 7 5.980 3.039 25.564 1.00 0.00 H ATOM 101 HE1 TYR A 7 7.597 1.896 21.771 1.00 0.00 H ATOM 102 HD1 TYR A 7 5.337 1.406 20.974 1.00 0.00 H ATOM 103 HH TYR A 7 8.826 2.760 23.522 1.00 0.00 H ATOM 104 H TYR A 7 0.615 0.285 22.182 1.00 0.00 H ATOM 105 N HIS A 8 4.256 -1.607 22.963 1.00 10.33 N ATOM 106 CA HIS A 8 4.786 -2.531 23.954 1.00 10.92 C ATOM 107 C HIS A 8 6.053 -2.101 24.646 1.00 11.38 C ATOM 108 O HIS A 8 6.588 -2.860 25.446 1.00 13.77 O ATOM 109 CB HIS A 8 5.003 -3.911 23.301 1.00 11.26 C ATOM 110 CG HIS A 8 3.746 -4.590 22.880 1.00 11.30 C ATOM 111 ND1 HIS A 8 2.837 -4.210 21.937 1.00 12.95 N ATOM 112 CD2 HIS A 8 3.239 -5.691 23.453 1.00 12.20 C ATOM 113 CE1 HIS A 8 1.831 -5.100 21.902 1.00 10.79 C ATOM 114 NE2 HIS A 8 2.062 -6.017 22.832 1.00 15.51 N ATOM 115 HA HIS A 8 4.033 -2.562 24.741 1.00 0.00 H ATOM 116 HB2 HIS A 8 5.632 -3.778 22.421 1.00 0.00 H ATOM 117 HB3 HIS A 8 5.515 -4.552 24.018 1.00 0.00 H ATOM 118 HD2 HIS A 8 3.691 -6.239 24.280 1.00 0.00 H ATOM 119 HE1 HIS A 8 0.975 -5.073 21.228 1.00 0.00 H ATOM 120 H HIS A 8 4.707 -1.567 22.027 1.00 0.00 H ATOM 121 N GLY A 9 6.568 -0.902 24.370 1.00 12.38 N ATOM 122 CA GLY A 9 7.745 -0.418 25.020 1.00 12.93 C ATOM 123 C GLY A 9 8.983 -1.055 24.419 1.00 10.68 C ATOM 124 O GLY A 9 9.093 -1.369 23.229 1.00 11.30 O ATOM 125 HA3 GLY A 9 7.695 -0.661 26.081 1.00 0.00 H ATOM 126 HA2 GLY A 9 7.803 0.664 24.899 1.00 0.00 H ATOM 127 H GLY A 9 6.099 -0.302 23.661 1.00 0.00 H ATOM 128 N LYS A 10 9.979 -1.308 25.276 1.00 11.04 N ATOM 129 CA LYS A 10 11.319 -1.671 24.881 1.00 10.67 C ATOM 130 C LYS A 10 11.427 -3.170 24.793 1.00 12.16 C ATOM 131 O LYS A 10 12.391 -3.810 25.244 1.00 23.55 O ATOM 132 CB LYS A 10 12.361 -1.042 25.847 1.00 13.99 C ATOM 133 CG LYS A 10 13.747 -0.982 25.206 1.00 15.90 C ATOM 134 CD LYS A 10 14.728 -0.421 26.253 1.00 22.41 C ATOM 135 CE LYS A 10 14.809 0.985 25.617 1.00 40.24 C ATOM 136 NZ LYS A 10 14.794 0.725 24.123 1.00 67.94 N ATOM 137 HA LYS A 10 11.539 -1.270 23.892 1.00 0.00 H ATOM 138 HB2 LYS A 10 12.044 -0.031 26.103 1.00 0.00 H ATOM 139 HB3 LYS A 10 12.414 -1.645 26.754 1.00 0.00 H ATOM 140 HG2 LYS A 10 14.059 -1.982 24.903 1.00 0.00 H ATOM 141 HG3 LYS A 10 13.724 -0.330 24.333 1.00 0.00 H ATOM 142 HD2 LYS A 10 14.314 -0.409 27.261 1.00 0.00 H ATOM 143 HD3 LYS A 10 15.686 -0.941 26.261 1.00 0.00 H ATOM 144 HE2 LYS A 10 15.729 1.490 25.912 1.00 0.00 H ATOM 145 HE3 LYS A 10 13.953 1.592 25.912 1.00 0.00 H ATOM 146 HZ1 LYS A 10 15.611 0.135 23.867 1.00 0.00 H ATOM 147 HZ2 LYS A 10 13.915 0.232 23.867 1.00 0.00 H ATOM 148 HZ3 LYS A 10 14.846 1.631 23.614 1.00 0.00 H ATOM 149 H LYS A 10 9.774 -1.239 26.293 1.00 0.00 H ATOM 150 N ILE A 11 10.479 -3.864 24.231 1.00 12.02 N ATOM 151 CA ILE A 11 10.582 -5.307 23.982 1.00 10.95 C ATOM 152 C ILE A 11 11.534 -5.576 22.833 1.00 10.97 C ATOM 153 O ILE A 11 11.737 -4.784 21.915 1.00 12.54 O ATOM 154 CB ILE A 11 9.210 -5.946 23.716 1.00 11.33 C ATOM 155 CG1 ILE A 11 8.495 -5.375 22.508 1.00 10.74 C ATOM 156 CG2 ILE A 11 8.355 -5.874 24.985 1.00 12.80 C ATOM 157 CD1 ILE A 11 7.384 -6.253 21.974 1.00 10.98 C ATOM 158 HA ILE A 11 10.980 -5.770 24.885 1.00 0.00 H ATOM 159 HB ILE A 11 9.381 -6.992 23.461 1.00 0.00 H ATOM 160 HG12 ILE A 11 8.067 -4.412 22.787 1.00 0.00 H ATOM 161 HG13 ILE A 11 9.227 -5.229 21.714 1.00 0.00 H ATOM 162 HD11 ILE A 11 7.796 -7.218 21.677 1.00 0.00 H ATOM 163 HD12 ILE A 11 6.634 -6.400 22.751 1.00 0.00 H ATOM 164 HD13 ILE A 11 6.925 -5.771 21.111 1.00 0.00 H ATOM 165 HG21 ILE A 11 8.856 -6.412 25.790 1.00 0.00 H ATOM 166 HG22 ILE A 11 8.220 -4.831 25.272 1.00 0.00 H ATOM 167 HG23 ILE A 11 7.383 -6.328 24.793 1.00 0.00 H ATOM 168 H ILE A 11 9.608 -3.373 23.945 1.00 0.00 H ATOM 169 N SER A 12 12.166 -6.733 22.887 1.00 10.87 N ATOM 170 CA SER A 12 13.095 -7.137 21.848 1.00 10.71 C ATOM 171 C SER A 12 12.376 -7.475 20.536 1.00 10.60 C ATOM 172 O SER A 12 11.192 -7.813 20.508 1.00 10.23 O ATOM 173 CB SER A 12 13.941 -8.290 22.331 1.00 11.93 C ATOM 174 OG SER A 12 14.704 -7.886 23.488 1.00 13.30 O ATOM 175 HA SER A 12 13.751 -6.293 21.632 1.00 0.00 H ATOM 176 HB2 SER A 12 14.622 -8.597 21.537 1.00 0.00 H ATOM 177 HB3 SER A 12 13.295 -9.127 22.597 1.00 0.00 H ATOM 178 HG SER A 12 15.256 -8.646 23.800 1.00 0.00 H ATOM 179 H SER A 12 11.995 -7.369 23.692 1.00 0.00 H ATOM 180 N ARG A 13 13.148 -7.393 19.435 1.00 10.74 N ATOM 181 CA ARG A 13 12.622 -7.804 18.139 1.00 10.22 C ATOM 182 C ARG A 13 11.942 -9.156 18.199 1.00 9.78 C ATOM 183 O ARG A 13 10.829 -9.343 17.703 1.00 9.52 O ATOM 184 CB ARG A 13 13.802 -7.802 17.130 1.00 12.98 C ATOM 185 CG ARG A 13 13.367 -8.230 15.732 1.00 15.18 C ATOM 186 CD ARG A 13 14.550 -8.328 14.801 1.00 20.52 C ATOM 187 NE ARG A 13 15.692 -8.936 15.374 1.00 26.41 N ATOM 188 CZ ARG A 13 16.093 -10.202 15.365 1.00 27.78 C ATOM 189 NH1 ARG A 13 17.251 -10.418 15.992 1.00 34.76 N ATOM 190 NH2 ARG A 13 15.275 -11.121 14.739 1.00 30.88 N ATOM 191 HA ARG A 13 11.850 -7.104 17.819 1.00 0.00 H ATOM 192 HB2 ARG A 13 14.216 -6.795 17.076 1.00 0.00 H ATOM 193 HB3 ARG A 13 14.569 -8.490 17.485 1.00 0.00 H ATOM 194 HG2 ARG A 13 12.880 -9.203 15.793 1.00 0.00 H ATOM 195 HG3 ARG A 13 12.663 -7.497 15.338 1.00 0.00 H ATOM 196 HD2 ARG A 13 14.821 -7.320 14.486 1.00 0.00 H ATOM 197 HD3 ARG A 13 14.252 -8.912 13.930 1.00 0.00 H ATOM 198 HE ARG A 13 16.320 -8.285 15.886 1.00 0.00 H ATOM 199 HH12 ARG A 13 17.646 -11.379 16.038 1.00 0.00 H ATOM 200 HH11 ARG A 13 17.758 -9.625 16.435 1.00 0.00 H ATOM 201 HH22 ARG A 13 15.549 -12.124 14.707 1.00 0.00 H ATOM 202 HH21 ARG A 13 14.385 -10.810 14.299 1.00 0.00 H ATOM 203 H ARG A 13 14.122 -7.036 19.510 1.00 0.00 H ATOM 204 N GLU A 14 12.600 -10.154 18.799 1.00 9.98 N ATOM 205 CA GLU A 14 12.064 -11.489 18.801 1.00 10.13 C ATOM 206 C GLU A 14 10.804 -11.630 19.658 1.00 9.86 C ATOM 207 O GLU A 14 9.901 -12.383 19.342 1.00 10.03 O ATOM 208 CB GLU A 14 13.142 -12.455 19.292 1.00 12.66 C ATOM 209 CG GLU A 14 14.435 -12.342 18.497 1.00 14.94 C ATOM 210 CD GLU A 14 15.550 -11.513 19.087 1.00 18.21 C ATOM 211 OE1 GLU A 14 15.243 -10.380 19.566 1.00 14.45 O ATOM 212 OE2 GLU A 14 16.722 -11.981 19.087 1.00 24.80 O ATOM 213 HA GLU A 14 11.768 -11.726 17.779 1.00 0.00 H ATOM 214 HB2 GLU A 14 13.355 -12.238 20.339 1.00 0.00 H ATOM 215 HB3 GLU A 14 12.765 -13.474 19.203 1.00 0.00 H ATOM 216 HG2 GLU A 14 14.820 -13.352 18.355 1.00 0.00 H ATOM 217 HG3 GLU A 14 14.185 -11.910 17.528 1.00 0.00 H ATOM 218 H GLU A 14 13.508 -9.963 19.269 1.00 0.00 H ATOM 219 N THR A 15 10.732 -10.860 20.744 1.00 9.65 N ATOM 220 CA THR A 15 9.519 -10.820 21.569 1.00 9.58 C ATOM 221 C THR A 15 8.338 -10.310 20.733 1.00 9.29 C ATOM 222 O THR A 15 7.249 -10.858 20.733 1.00 9.95 O ATOM 223 CB THR A 15 9.731 -9.942 22.794 1.00 10.41 C ATOM 224 OG1 THR A 15 10.865 -10.459 23.520 1.00 12.92 O ATOM 225 CG2 THR A 15 8.515 -9.940 23.702 1.00 11.65 C ATOM 226 HA THR A 15 9.295 -11.829 21.915 1.00 0.00 H ATOM 227 HB THR A 15 9.901 -8.916 22.468 1.00 0.00 H ATOM 228 HG1 THR A 15 11.666 -10.436 22.939 1.00 0.00 H ATOM 229 HG23 THR A 15 7.656 -9.550 23.156 1.00 0.00 H ATOM 230 HG21 THR A 15 8.306 -10.958 24.030 1.00 0.00 H ATOM 231 HG22 THR A 15 8.712 -9.311 24.570 1.00 0.00 H ATOM 232 H THR A 15 11.551 -10.277 21.011 1.00 0.00 H ATOM 233 N GLY A 16 8.583 -9.212 19.980 1.00 9.04 N ATOM 234 CA GLY A 16 7.556 -8.712 19.077 1.00 9.14 C ATOM 235 C GLY A 16 7.128 -9.701 18.021 1.00 8.72 C ATOM 236 O GLY A 16 5.937 -9.861 17.714 1.00 9.19 O ATOM 237 HA3 GLY A 16 7.942 -7.824 18.578 1.00 0.00 H ATOM 238 HA2 GLY A 16 6.681 -8.443 19.669 1.00 0.00 H ATOM 239 H GLY A 16 9.501 -8.728 20.046 1.00 0.00 H ATOM 240 N GLU A 17 8.116 -10.408 17.444 1.00 8.74 N ATOM 241 CA GLU A 17 7.793 -11.463 16.482 1.00 9.02 C ATOM 242 C GLU A 17 6.859 -12.482 17.100 1.00 8.75 C ATOM 243 O GLU A 17 5.878 -12.888 16.464 1.00 9.75 O ATOM 244 CB GLU A 17 9.068 -12.117 15.984 1.00 9.27 C ATOM 245 CG GLU A 17 10.000 -11.276 15.163 1.00 9.07 C ATOM 246 CD GLU A 17 11.369 -11.850 14.880 1.00 12.24 C ATOM 247 OE1 GLU A 17 11.656 -12.954 15.403 1.00 15.10 O ATOM 248 OE2 GLU A 17 12.150 -11.183 14.150 1.00 12.44 O ATOM 249 HA GLU A 17 7.279 -11.019 15.629 1.00 0.00 H ATOM 250 HB2 GLU A 17 9.622 -12.462 16.857 1.00 0.00 H ATOM 251 HB3 GLU A 17 8.780 -12.975 15.376 1.00 0.00 H ATOM 252 HG2 GLU A 17 9.517 -11.088 14.204 1.00 0.00 H ATOM 253 HG3 GLU A 17 10.141 -10.331 15.688 1.00 0.00 H ATOM 254 H GLU A 17 9.108 -10.205 17.681 1.00 0.00 H ATOM 255 N LYS A 18 7.173 -12.935 18.306 1.00 8.95 N ATOM 256 CA LYS A 18 6.385 -13.969 18.942 1.00 9.27 C ATOM 257 C LYS A 18 4.988 -13.491 19.307 1.00 9.32 C ATOM 258 O LYS A 18 4.029 -14.265 19.121 1.00 10.14 O ATOM 259 CB LYS A 18 7.094 -14.528 20.186 1.00 11.65 C ATOM 260 CG LYS A 18 8.332 -15.325 19.786 1.00 12.40 C ATOM 261 CD LYS A 18 7.954 -16.683 19.212 1.00 13.93 C ATOM 262 CE LYS A 18 9.053 -17.328 18.409 1.00 16.71 C ATOM 263 NZ LYS A 18 8.708 -18.740 18.136 1.00 19.87 N ATOM 264 HA LYS A 18 6.280 -14.769 18.209 1.00 0.00 H ATOM 265 HB2 LYS A 18 7.393 -13.701 20.830 1.00 0.00 H ATOM 266 HB3 LYS A 18 6.408 -15.179 20.727 1.00 0.00 H ATOM 267 HG2 LYS A 18 8.888 -14.764 19.035 1.00 0.00 H ATOM 268 HG3 LYS A 18 8.959 -15.473 20.665 1.00 0.00 H ATOM 269 HD2 LYS A 18 7.696 -17.346 20.038 1.00 0.00 H ATOM 270 HD3 LYS A 18 7.086 -16.554 18.566 1.00 0.00 H ATOM 271 HE2 LYS A 18 9.986 -17.285 18.971 1.00 0.00 H ATOM 272 HE3 LYS A 18 9.173 -16.795 17.466 1.00 0.00 H ATOM 273 HZ1 LYS A 18 8.594 -19.248 19.036 1.00 0.00 H ATOM 274 HZ2 LYS A 18 7.818 -18.781 17.599 1.00 0.00 H ATOM 275 HZ3 LYS A 18 9.470 -19.181 17.582 1.00 0.00 H ATOM 276 H LYS A 18 7.998 -12.541 18.802 1.00 0.00 H ATOM 277 N LEU A 19 4.828 -12.248 19.748 1.00 9.33 N ATOM 278 CA LEU A 19 3.505 -11.709 20.017 1.00 9.94 C ATOM 279 C LEU A 19 2.671 -11.674 18.761 1.00 10.09 C ATOM 280 O LEU A 19 1.473 -11.993 18.793 1.00 11.08 O ATOM 281 CB LEU A 19 3.659 -10.315 20.632 1.00 10.52 C ATOM 282 CG LEU A 19 4.245 -10.276 22.047 1.00 10.48 C ATOM 283 CD1 LEU A 19 4.654 -8.882 22.465 1.00 13.81 C ATOM 284 CD2 LEU A 19 3.246 -10.860 23.024 1.00 16.10 C ATOM 285 HA LEU A 19 2.981 -12.353 20.723 1.00 0.00 H ATOM 286 HB2 LEU A 19 4.312 -9.732 19.982 1.00 0.00 H ATOM 287 HB3 LEU A 19 2.673 -9.852 20.664 1.00 0.00 H ATOM 288 HG LEU A 19 5.154 -10.878 22.049 1.00 0.00 H ATOM 289 HD21 LEU A 19 2.327 -10.275 22.995 1.00 0.00 H ATOM 290 HD22 LEU A 19 3.030 -11.892 22.748 1.00 0.00 H ATOM 291 HD23 LEU A 19 3.664 -10.832 24.030 1.00 0.00 H ATOM 292 HD11 LEU A 19 5.411 -8.505 21.777 1.00 0.00 H ATOM 293 HD12 LEU A 19 3.783 -8.227 22.443 1.00 0.00 H ATOM 294 HD13 LEU A 19 5.062 -8.912 23.475 1.00 0.00 H ATOM 295 H LEU A 19 5.664 -11.650 19.904 1.00 0.00 H ATOM 296 N LEU A 20 3.273 -11.277 17.614 1.00 10.07 N ATOM 297 CA LEU A 20 2.503 -11.256 16.377 1.00 9.54 C ATOM 298 C LEU A 20 2.181 -12.637 15.861 1.00 9.44 C ATOM 299 O LEU A 20 1.054 -12.928 15.462 1.00 11.16 O ATOM 300 CB LEU A 20 3.279 -10.439 15.314 1.00 9.26 C ATOM 301 CG LEU A 20 3.324 -8.955 15.606 1.00 9.03 C ATOM 302 CD1 LEU A 20 4.306 -8.269 14.690 1.00 12.32 C ATOM 303 CD2 LEU A 20 1.967 -8.283 15.485 1.00 14.30 C ATOM 304 HA LEU A 20 1.544 -10.783 16.588 1.00 0.00 H ATOM 305 HB2 LEU A 20 4.302 -10.813 15.270 1.00 0.00 H ATOM 306 HB3 LEU A 20 2.798 -10.586 14.347 1.00 0.00 H ATOM 307 HG LEU A 20 3.644 -8.857 16.643 1.00 0.00 H ATOM 308 HD21 LEU A 20 1.590 -8.409 14.470 1.00 0.00 H ATOM 309 HD22 LEU A 20 1.273 -8.739 16.191 1.00 0.00 H ATOM 310 HD23 LEU A 20 2.068 -7.221 15.707 1.00 0.00 H ATOM 311 HD11 LEU A 20 5.299 -8.692 14.842 1.00 0.00 H ATOM 312 HD12 LEU A 20 4.001 -8.419 13.654 1.00 0.00 H ATOM 313 HD13 LEU A 20 4.326 -7.202 14.914 1.00 0.00 H ATOM 314 H LEU A 20 4.273 -10.991 17.616 1.00 0.00 H ATOM 315 N LEU A 21 3.164 -13.525 15.868 1.00 10.43 N ATOM 316 CA LEU A 21 2.912 -14.887 15.388 1.00 11.36 C ATOM 317 C LEU A 21 1.830 -15.570 16.203 1.00 11.94 C ATOM 318 O LEU A 21 1.081 -16.393 15.602 1.00 13.63 O ATOM 319 CB LEU A 21 4.202 -15.685 15.396 1.00 12.87 C ATOM 320 CG LEU A 21 5.262 -15.252 14.372 1.00 13.23 C ATOM 321 CD1 LEU A 21 6.636 -15.790 14.759 1.00 18.59 C ATOM 322 CD2 LEU A 21 4.850 -15.707 12.975 1.00 15.37 C ATOM 323 HA LEU A 21 2.548 -14.831 14.362 1.00 0.00 H ATOM 324 HB2 LEU A 21 4.642 -15.600 16.390 1.00 0.00 H ATOM 325 HB3 LEU A 21 3.952 -16.727 15.199 1.00 0.00 H ATOM 326 HG LEU A 21 5.331 -14.164 14.366 1.00 0.00 H ATOM 327 HD21 LEU A 21 4.757 -16.793 12.961 1.00 0.00 H ATOM 328 HD22 LEU A 21 3.892 -15.256 12.715 1.00 0.00 H ATOM 329 HD23 LEU A 21 5.607 -15.396 12.255 1.00 0.00 H ATOM 330 HD11 LEU A 21 6.913 -15.403 15.740 1.00 0.00 H ATOM 331 HD12 LEU A 21 6.602 -16.879 14.793 1.00 0.00 H ATOM 332 HD13 LEU A 21 7.371 -15.471 14.020 1.00 0.00 H ATOM 333 H LEU A 21 4.108 -13.258 16.212 1.00 0.00 H ATOM 334 N ALA A 22 1.683 -15.279 17.501 1.00 13.09 N ATOM 335 CA ALA A 22 0.660 -15.922 18.325 1.00 14.23 C ATOM 336 C ALA A 22 -0.733 -15.605 17.827 1.00 17.38 C ATOM 337 O ALA A 22 -1.677 -16.355 17.984 1.00 20.20 O ATOM 338 CB ALA A 22 0.839 -15.460 19.767 1.00 15.13 C ATOM 339 HA ALA A 22 0.778 -17.004 18.265 1.00 0.00 H ATOM 340 HB1 ALA A 22 1.832 -15.743 20.117 1.00 0.00 H ATOM 341 HB2 ALA A 22 0.730 -14.377 19.816 1.00 0.00 H ATOM 342 HB3 ALA A 22 0.083 -15.931 20.395 1.00 0.00 H ATOM 343 H ALA A 22 2.314 -14.576 17.936 1.00 0.00 H ATOM 344 N THR A 23 -0.904 -14.451 17.237 1.00 20.16 N ATOM 345 CA THR A 23 -2.178 -14.146 16.672 1.00 20.27 C ATOM 346 C THR A 23 -2.462 -14.960 15.417 1.00 24.01 C ATOM 347 O THR A 23 -3.618 -15.197 15.176 1.00 20.43 O ATOM 348 CB THR A 23 -2.286 -12.672 16.286 1.00 24.88 C ATOM 349 OG1 THR A 23 -1.292 -12.483 15.312 1.00 38.38 O ATOM 350 CG2 THR A 23 -1.967 -11.837 17.494 1.00 25.72 C ATOM 351 HA THR A 23 -2.903 -14.393 17.448 1.00 0.00 H ATOM 352 HB THR A 23 -3.276 -12.397 15.923 1.00 0.00 H ATOM 353 HG1 THR A 23 -0.407 -12.698 15.700 1.00 0.00 H ATOM 354 HG23 THR A 23 -2.739 -11.984 18.250 1.00 0.00 H ATOM 355 HG21 THR A 23 -1.000 -12.138 17.897 1.00 0.00 H ATOM 356 HG22 THR A 23 -1.932 -10.786 17.208 1.00 0.00 H ATOM 357 H THR A 23 -0.124 -13.766 17.180 1.00 0.00 H ATOM 358 N GLY A 24 -1.463 -15.322 14.638 1.00 28.20 N ATOM 359 CA GLY A 24 -1.573 -16.090 13.420 1.00 27.73 C ATOM 360 C GLY A 24 -2.295 -15.347 12.340 1.00 21.60 C ATOM 361 O GLY A 24 -2.667 -16.048 11.398 1.00 21.28 O ATOM 362 HA3 GLY A 24 -2.115 -17.011 13.634 1.00 0.00 H ATOM 363 HA2 GLY A 24 -0.571 -16.334 13.068 1.00 0.00 H ATOM 364 H GLY A 24 -0.508 -15.028 14.927 1.00 0.00 H ATOM 365 N LEU A 25 -2.566 -14.062 12.342 1.00 16.67 N ATOM 366 CA LEU A 25 -3.417 -13.338 11.433 1.00 13.78 C ATOM 367 C LEU A 25 -2.623 -12.321 10.637 1.00 12.60 C ATOM 368 O LEU A 25 -2.036 -11.404 11.208 1.00 13.64 O ATOM 369 CB LEU A 25 -4.527 -12.494 12.101 1.00 18.84 C ATOM 370 CG LEU A 25 -5.663 -13.204 12.686 1.00 19.56 C ATOM 371 CD1 LEU A 25 -6.635 -12.151 13.245 1.00 19.29 C ATOM 372 CD2 LEU A 25 -6.431 -14.069 11.681 1.00 21.84 C ATOM 373 HA LEU A 25 -3.859 -14.134 10.833 1.00 0.00 H ATOM 374 HB2 LEU A 25 -4.060 -11.914 12.897 1.00 0.00 H ATOM 375 HB3 LEU A 25 -4.921 -11.817 11.343 1.00 0.00 H ATOM 376 HG LEU A 25 -5.270 -13.873 13.451 1.00 0.00 H ATOM 377 HD21 LEU A 25 -6.818 -13.438 10.881 1.00 0.00 H ATOM 378 HD22 LEU A 25 -5.760 -14.818 11.261 1.00 0.00 H ATOM 379 HD23 LEU A 25 -7.259 -14.564 12.188 1.00 0.00 H ATOM 380 HD11 LEU A 25 -6.127 -11.556 14.004 1.00 0.00 H ATOM 381 HD12 LEU A 25 -6.969 -11.501 12.436 1.00 0.00 H ATOM 382 HD13 LEU A 25 -7.495 -12.652 13.689 1.00 0.00 H ATOM 383 H LEU A 25 -2.112 -13.500 13.090 1.00 0.00 H ATOM 384 N ASP A 26 -2.614 -12.459 9.329 1.00 12.41 N ATOM 385 CA ASP A 26 -1.973 -11.433 8.503 1.00 12.74 C ATOM 386 C ASP A 26 -2.675 -10.117 8.754 1.00 11.90 C ATOM 387 O ASP A 26 -3.916 -10.049 8.829 1.00 13.08 O ATOM 388 CB ASP A 26 -2.050 -11.875 7.039 1.00 14.30 C ATOM 389 CG ASP A 26 -1.188 -13.061 6.680 1.00 15.83 C ATOM 390 OD1 ASP A 26 -1.517 -13.820 5.753 1.00 24.53 O ATOM 391 OD2 ASP A 26 -0.199 -13.319 7.373 1.00 18.11 O ATOM 392 HA ASP A 26 -0.920 -11.301 8.753 1.00 0.00 H ATOM 393 HB2 ASP A 26 -3.086 -12.131 6.818 1.00 0.00 H ATOM 394 HB3 ASP A 26 -1.744 -11.034 6.416 1.00 0.00 H ATOM 395 H ASP A 26 -3.058 -13.288 8.885 1.00 0.00 H ATOM 396 N GLY A 27 -1.891 -9.052 8.865 1.00 9.77 N ATOM 397 CA GLY A 27 -2.427 -7.750 9.211 1.00 9.94 C ATOM 398 C GLY A 27 -2.472 -7.442 10.669 1.00 9.21 C ATOM 399 O GLY A 27 -2.903 -6.343 11.069 1.00 9.73 O ATOM 400 HA3 GLY A 27 -3.444 -7.691 8.823 1.00 0.00 H ATOM 401 HA2 GLY A 27 -1.811 -6.993 8.726 1.00 0.00 H ATOM 402 H GLY A 27 -0.869 -9.154 8.700 1.00 0.00 H ATOM 403 N SER A 28 -1.989 -8.391 11.506 1.00 9.26 N ATOM 404 CA SER A 28 -1.720 -8.095 12.909 1.00 8.59 C ATOM 405 C SER A 28 -0.546 -7.147 13.000 1.00 8.37 C ATOM 406 O SER A 28 0.394 -7.252 12.209 1.00 9.91 O ATOM 407 CB SER A 28 -1.431 -9.359 13.716 1.00 10.70 C ATOM 408 OG SER A 28 -2.518 -10.250 13.605 1.00 12.98 O ATOM 409 HA SER A 28 -2.612 -7.635 13.335 1.00 0.00 H ATOM 410 HB2 SER A 28 -1.283 -9.095 14.763 1.00 0.00 H ATOM 411 HB3 SER A 28 -0.529 -9.837 13.332 1.00 0.00 H ATOM 412 HG SER A 28 -2.651 -10.490 12.654 1.00 0.00 H ATOM 413 H SER A 28 -1.807 -9.348 11.142 1.00 0.00 H ATOM 414 N TYR A 29 -0.552 -6.265 14.011 1.00 8.39 N ATOM 415 CA TYR A 29 0.519 -5.292 14.093 1.00 8.29 C ATOM 416 C TYR A 29 0.707 -4.810 15.548 1.00 8.04 C ATOM 417 O TYR A 29 -0.201 -4.880 16.365 1.00 8.69 O ATOM 418 CB TYR A 29 0.302 -4.098 13.165 1.00 8.25 C ATOM 419 CG TYR A 29 -0.877 -3.221 13.571 1.00 8.41 C ATOM 420 CD1 TYR A 29 -0.664 -2.061 14.266 1.00 8.84 C ATOM 421 CD2 TYR A 29 -2.184 -3.620 13.228 1.00 9.16 C ATOM 422 CE1 TYR A 29 -1.741 -1.244 14.642 1.00 9.92 C ATOM 423 CE2 TYR A 29 -3.236 -2.809 13.602 1.00 9.21 C ATOM 424 CZ TYR A 29 -3.015 -1.633 14.308 1.00 9.79 C ATOM 425 OH TYR A 29 -4.094 -0.844 14.676 1.00 11.76 O ATOM 426 HA TYR A 29 1.426 -5.797 13.761 1.00 0.00 H ATOM 427 HB3 TYR A 29 0.124 -4.472 12.157 1.00 0.00 H ATOM 428 HB2 TYR A 29 1.205 -3.487 13.170 1.00 0.00 H ATOM 429 HD2 TYR A 29 -2.360 -4.546 12.681 1.00 0.00 H ATOM 430 HE2 TYR A 29 -4.255 -3.095 13.340 1.00 0.00 H ATOM 431 HE1 TYR A 29 -1.570 -0.317 15.189 1.00 0.00 H ATOM 432 HD1 TYR A 29 0.352 -1.769 14.530 1.00 0.00 H ATOM 433 HH TYR A 29 -4.581 -0.554 13.864 1.00 0.00 H ATOM 434 H TYR A 29 -1.311 -6.279 14.722 1.00 0.00 H ATOM 435 N LEU A 30 1.903 -4.309 15.810 1.00 8.25 N ATOM 436 CA LEU A 30 2.225 -3.655 17.074 1.00 8.57 C ATOM 437 C LEU A 30 3.280 -2.605 16.835 1.00 8.27 C ATOM 438 O LEU A 30 3.948 -2.534 15.803 1.00 9.09 O ATOM 439 CB LEU A 30 2.618 -4.676 18.151 1.00 8.90 C ATOM 440 CG LEU A 30 3.820 -5.582 17.930 1.00 9.61 C ATOM 441 CD1 LEU A 30 5.159 -4.883 18.128 1.00 9.75 C ATOM 442 CD2 LEU A 30 3.727 -6.816 18.834 1.00 11.16 C ATOM 443 HA LEU A 30 1.339 -3.153 17.463 1.00 0.00 H ATOM 444 HB2 LEU A 30 2.810 -4.114 19.065 1.00 0.00 H ATOM 445 HB3 LEU A 30 1.756 -5.326 18.300 1.00 0.00 H ATOM 446 HG LEU A 30 3.786 -5.884 16.883 1.00 0.00 H ATOM 447 HD21 LEU A 30 3.705 -6.500 19.877 1.00 0.00 H ATOM 448 HD22 LEU A 30 2.816 -7.368 18.601 1.00 0.00 H ATOM 449 HD23 LEU A 30 4.594 -7.455 18.665 1.00 0.00 H ATOM 450 HD11 LEU A 30 5.243 -4.055 17.424 1.00 0.00 H ATOM 451 HD12 LEU A 30 5.222 -4.503 19.148 1.00 0.00 H ATOM 452 HD13 LEU A 30 5.967 -5.593 17.953 1.00 0.00 H ATOM 453 H LEU A 30 2.645 -4.384 15.085 1.00 0.00 H ATOM 454 N LEU A 31 3.510 -1.828 17.890 1.00 8.70 N ATOM 455 CA LEU A 31 4.608 -0.878 17.976 1.00 8.99 C ATOM 456 C LEU A 31 5.534 -1.209 19.121 1.00 9.03 C ATOM 457 O LEU A 31 5.082 -1.627 20.199 1.00 9.92 O ATOM 458 CB LEU A 31 4.045 0.551 18.118 1.00 10.38 C ATOM 459 CG LEU A 31 3.599 1.282 16.863 1.00 12.54 C ATOM 460 CD1 LEU A 31 2.584 2.354 17.183 1.00 14.65 C ATOM 461 CD2 LEU A 31 4.804 1.857 16.105 1.00 13.79 C ATOM 462 HA LEU A 31 5.194 -0.941 17.059 1.00 0.00 H ATOM 463 HB2 LEU A 31 3.182 0.493 18.781 1.00 0.00 H ATOM 464 HB3 LEU A 31 4.820 1.158 18.586 1.00 0.00 H ATOM 465 HG LEU A 31 3.111 0.558 16.210 1.00 0.00 H ATOM 466 HD21 LEU A 31 5.336 2.558 16.749 1.00 0.00 H ATOM 467 HD22 LEU A 31 5.473 1.045 15.819 1.00 0.00 H ATOM 468 HD23 LEU A 31 4.456 2.375 15.211 1.00 0.00 H ATOM 469 HD11 LEU A 31 1.710 1.898 17.648 1.00 0.00 H ATOM 470 HD12 LEU A 31 3.026 3.078 17.868 1.00 0.00 H ATOM 471 HD13 LEU A 31 2.286 2.857 16.263 1.00 0.00 H ATOM 472 H LEU A 31 2.866 -1.904 18.703 1.00 0.00 H ATOM 473 N ARG A 32 6.817 -1.040 18.903 1.00 9.16 N ATOM 474 CA ARG A 32 7.824 -1.206 19.919 1.00 9.38 C ATOM 475 C ARG A 32 8.923 -0.181 19.715 1.00 9.56 C ATOM 476 O ARG A 32 9.007 0.443 18.633 1.00 9.94 O ATOM 477 CB ARG A 32 8.429 -2.623 19.953 1.00 9.49 C ATOM 478 CG ARG A 32 9.114 -3.000 18.659 1.00 9.98 C ATOM 479 CD ARG A 32 9.900 -4.262 18.767 1.00 10.96 C ATOM 480 NE ARG A 32 10.430 -4.716 17.470 1.00 10.03 N ATOM 481 CZ ARG A 32 11.508 -4.241 16.882 1.00 9.77 C ATOM 482 NH1 ARG A 32 12.199 -3.268 17.478 1.00 11.34 N ATOM 483 NH2 ARG A 32 11.892 -4.725 15.724 1.00 10.62 N ATOM 484 HA ARG A 32 7.333 -1.055 20.880 1.00 0.00 H ATOM 485 HB2 ARG A 32 9.160 -2.671 20.761 1.00 0.00 H ATOM 486 HB3 ARG A 32 7.630 -3.339 20.145 1.00 0.00 H ATOM 487 HG2 ARG A 32 8.355 -3.127 17.887 1.00 0.00 H ATOM 488 HG3 ARG A 32 9.789 -2.193 18.374 1.00 0.00 H ATOM 489 HD2 ARG A 32 9.254 -5.041 19.172 1.00 0.00 H ATOM 490 HD3 ARG A 32 10.736 -4.095 19.446 1.00 0.00 H ATOM 491 HE ARG A 32 9.911 -5.472 16.979 1.00 0.00 H ATOM 492 HH12 ARG A 32 13.052 -2.884 17.025 1.00 0.00 H ATOM 493 HH11 ARG A 32 11.884 -2.894 18.396 1.00 0.00 H ATOM 494 HH22 ARG A 32 12.744 -4.349 15.260 1.00 0.00 H ATOM 495 HH21 ARG A 32 11.345 -5.484 15.270 1.00 0.00 H ATOM 496 H ARG A 32 7.123 -0.772 17.946 1.00 0.00 H ATOM 497 N ASP A 33 9.780 -0.016 20.701 1.00 9.89 N ATOM 498 CA ASP A 33 10.934 0.865 20.504 1.00 9.79 C ATOM 499 C ASP A 33 11.872 0.247 19.484 1.00 9.67 C ATOM 500 O ASP A 33 12.048 -0.972 19.423 1.00 10.03 O ATOM 501 CB ASP A 33 11.692 1.036 21.807 1.00 9.96 C ATOM 502 CG ASP A 33 10.890 1.737 22.898 1.00 11.45 C ATOM 503 OD1 ASP A 33 11.124 1.444 24.073 1.00 15.18 O ATOM 504 OD2 ASP A 33 10.039 2.537 22.499 1.00 12.56 O ATOM 505 HA ASP A 33 10.577 1.834 20.157 1.00 0.00 H ATOM 506 HB2 ASP A 33 11.978 0.049 22.171 1.00 0.00 H ATOM 507 HB3 ASP A 33 12.589 1.623 21.609 1.00 0.00 H ATOM 508 H ASP A 33 9.640 -0.505 21.608 1.00 0.00 H ATOM 509 N SER A 34 12.586 1.094 18.742 1.00 10.51 N ATOM 510 CA SER A 34 13.755 0.658 17.989 1.00 11.08 C ATOM 511 C SER A 34 14.816 0.129 18.917 1.00 11.23 C ATOM 512 O SER A 34 14.992 0.649 20.021 1.00 13.70 O ATOM 513 CB SER A 34 14.323 1.879 17.244 1.00 12.10 C ATOM 514 OG SER A 34 15.561 1.610 16.675 1.00 15.47 O ATOM 515 HA SER A 34 13.465 -0.133 17.297 1.00 0.00 H ATOM 516 HB2 SER A 34 14.431 2.703 17.949 1.00 0.00 H ATOM 517 HB3 SER A 34 13.627 2.166 16.455 1.00 0.00 H ATOM 518 HG SER A 34 15.471 0.866 16.028 1.00 0.00 H ATOM 519 H SER A 34 12.301 2.093 18.699 1.00 0.00 H ATOM 520 N GLU A 35 15.527 -0.891 18.518 1.00 11.93 N ATOM 521 CA GLU A 35 16.668 -1.406 19.229 1.00 14.24 C ATOM 522 C GLU A 35 17.942 -0.642 18.808 1.00 17.01 C ATOM 523 O GLU A 35 18.959 -0.972 19.426 1.00 23.80 O ATOM 524 CB GLU A 35 16.928 -2.890 18.955 1.00 14.78 C ATOM 525 CG GLU A 35 15.776 -3.764 19.388 1.00 16.36 C ATOM 526 CD GLU A 35 15.880 -5.182 18.904 1.00 18.30 C ATOM 527 OE1 GLU A 35 16.158 -5.279 17.693 1.00 21.23 O ATOM 528 OE2 GLU A 35 15.703 -6.134 19.738 1.00 16.30 O ATOM 529 HA GLU A 35 16.442 -1.276 20.287 1.00 0.00 H ATOM 530 HB2 GLU A 35 17.089 -3.026 17.886 1.00 0.00 H ATOM 531 HB3 GLU A 35 17.823 -3.195 19.497 1.00 0.00 H ATOM 532 HG2 GLU A 35 15.741 -3.773 20.477 1.00 0.00 H ATOM 533 HG3 GLU A 35 14.853 -3.334 19.000 1.00 0.00 H ATOM 534 H GLU A 35 15.252 -1.360 17.632 1.00 0.00 H ATOM 535 N SER A 36 17.835 0.207 17.807 1.00 16.49 N ATOM 536 CA SER A 36 18.993 0.759 17.106 1.00 17.86 C ATOM 537 C SER A 36 19.148 2.253 17.294 1.00 17.42 C ATOM 538 O SER A 36 20.286 2.741 17.229 1.00 18.87 O ATOM 539 CB SER A 36 18.938 0.528 15.599 1.00 18.47 C ATOM 540 OG SER A 36 17.611 0.603 15.173 1.00 37.43 O ATOM 541 HA SER A 36 19.834 0.228 17.551 1.00 0.00 H ATOM 542 HB2 SER A 36 19.341 -0.457 15.366 1.00 0.00 H ATOM 543 HB3 SER A 36 19.528 1.291 15.091 1.00 0.00 H ATOM 544 HG SER A 36 17.247 1.499 15.386 1.00 0.00 H ATOM 545 H SER A 36 16.884 0.498 17.502 1.00 0.00 H ATOM 546 N VAL A 37 18.083 3.015 17.430 1.00 13.71 N ATOM 547 CA VAL A 37 18.195 4.474 17.420 1.00 12.27 C ATOM 548 C VAL A 37 17.267 5.031 18.502 1.00 13.19 C ATOM 549 O VAL A 37 16.070 4.745 18.461 1.00 12.96 O ATOM 550 CB VAL A 37 17.853 5.057 16.052 1.00 14.20 C ATOM 551 CG1 VAL A 37 17.895 6.557 16.026 1.00 15.96 C ATOM 552 CG2 VAL A 37 18.827 4.558 14.988 1.00 16.87 C ATOM 553 HA VAL A 37 19.226 4.759 17.628 1.00 0.00 H ATOM 554 HB VAL A 37 16.836 4.725 15.844 1.00 0.00 H ATOM 555 HG11 VAL A 37 17.176 6.952 16.744 1.00 0.00 H ATOM 556 HG12 VAL A 37 18.897 6.896 16.290 1.00 0.00 H ATOM 557 HG13 VAL A 37 17.643 6.909 15.026 1.00 0.00 H ATOM 558 HG21 VAL A 37 19.840 4.859 15.255 1.00 0.00 H ATOM 559 HG22 VAL A 37 18.774 3.471 14.929 1.00 0.00 H ATOM 560 HG23 VAL A 37 18.561 4.989 14.023 1.00 0.00 H ATOM 561 H VAL A 37 17.149 2.574 17.546 1.00 0.00 H ATOM 562 N PRO A 38 17.801 5.776 19.491 1.00 13.73 N ATOM 563 CA PRO A 38 16.971 6.317 20.556 1.00 14.99 C ATOM 564 C PRO A 38 15.819 7.139 20.018 1.00 13.26 C ATOM 565 O PRO A 38 15.984 7.940 19.108 1.00 13.63 O ATOM 566 CB PRO A 38 17.941 7.226 21.351 1.00 20.23 C ATOM 567 CG PRO A 38 19.270 6.588 21.104 1.00 21.84 C ATOM 568 CD PRO A 38 19.230 6.096 19.700 1.00 18.56 C ATOM 569 HA PRO A 38 16.517 5.527 21.154 1.00 0.00 H ATOM 570 HD3 PRO A 38 19.563 6.868 19.006 1.00 0.00 H ATOM 571 HD2 PRO A 38 19.851 5.208 19.579 1.00 0.00 H ATOM 572 HG3 PRO A 38 19.427 5.758 21.793 1.00 0.00 H ATOM 573 HG2 PRO A 38 20.070 7.317 21.228 1.00 0.00 H ATOM 574 HB2 PRO A 38 17.920 8.248 20.974 1.00 0.00 H ATOM 575 HB3 PRO A 38 17.697 7.227 22.413 1.00 0.00 H ATOM 576 N GLY A 39 14.647 6.946 20.632 1.00 12.84 N ATOM 577 CA GLY A 39 13.454 7.685 20.314 1.00 13.15 C ATOM 578 C GLY A 39 12.814 7.374 18.952 1.00 11.98 C ATOM 579 O GLY A 39 11.892 8.095 18.557 1.00 15.40 O ATOM 580 HA3 GLY A 39 13.704 8.746 20.331 1.00 0.00 H ATOM 581 HA2 GLY A 39 12.715 7.474 21.087 1.00 0.00 H ATOM 582 H GLY A 39 14.595 6.224 21.379 1.00 0.00 H ATOM 583 N VAL A 40 13.288 6.328 18.278 1.00 11.16 N ATOM 584 CA VAL A 40 12.642 5.826 17.066 1.00 11.93 C ATOM 585 C VAL A 40 11.811 4.598 17.454 1.00 10.67 C ATOM 586 O VAL A 40 12.099 3.911 18.491 1.00 11.55 O ATOM 587 CB VAL A 40 13.684 5.536 15.995 1.00 12.86 C ATOM 588 CG1 VAL A 40 13.113 4.804 14.786 1.00 13.84 C ATOM 589 CG2 VAL A 40 14.350 6.849 15.539 1.00 15.50 C ATOM 590 HA VAL A 40 11.973 6.569 16.632 1.00 0.00 H ATOM 591 HB VAL A 40 14.422 4.874 16.449 1.00 0.00 H ATOM 592 HG11 VAL A 40 12.693 3.850 15.105 1.00 0.00 H ATOM 593 HG12 VAL A 40 12.331 5.412 14.330 1.00 0.00 H ATOM 594 HG13 VAL A 40 13.907 4.628 14.061 1.00 0.00 H ATOM 595 HG21 VAL A 40 13.591 7.517 15.131 1.00 0.00 H ATOM 596 HG22 VAL A 40 14.834 7.325 16.392 1.00 0.00 H ATOM 597 HG23 VAL A 40 15.094 6.631 14.773 1.00 0.00 H ATOM 598 H VAL A 40 14.146 5.853 18.625 1.00 0.00 H ATOM 599 N TYR A 41 10.767 4.292 16.706 1.00 10.29 N ATOM 600 CA TYR A 41 9.877 3.185 16.961 1.00 10.64 C ATOM 601 C TYR A 41 9.804 2.295 15.743 1.00 9.79 C ATOM 602 O TYR A 41 10.167 2.700 14.653 1.00 11.09 O ATOM 603 CB TYR A 41 8.523 3.795 17.304 1.00 11.90 C ATOM 604 CG TYR A 41 8.530 4.657 18.538 1.00 13.09 C ATOM 605 CD1 TYR A 41 8.889 6.014 18.472 1.00 13.90 C ATOM 606 CD2 TYR A 41 8.207 4.120 19.786 1.00 13.27 C ATOM 607 CE1 TYR A 41 8.920 6.794 19.635 1.00 14.57 C ATOM 608 CE2 TYR A 41 8.218 4.934 20.929 1.00 14.38 C ATOM 609 CZ TYR A 41 8.574 6.235 20.847 1.00 14.82 C ATOM 610 OH TYR A 41 8.538 7.039 21.994 1.00 18.80 O ATOM 611 HA TYR A 41 10.224 2.558 17.783 1.00 0.00 H ATOM 612 HB3 TYR A 41 7.811 2.984 17.457 1.00 0.00 H ATOM 613 HB2 TYR A 41 8.200 4.406 16.461 1.00 0.00 H ATOM 614 HD2 TYR A 41 7.946 3.065 19.873 1.00 0.00 H ATOM 615 HE2 TYR A 41 7.936 4.512 21.894 1.00 0.00 H ATOM 616 HE1 TYR A 41 9.217 7.841 19.582 1.00 0.00 H ATOM 617 HD1 TYR A 41 9.144 6.462 17.512 1.00 0.00 H ATOM 618 HH TYR A 41 7.615 7.062 22.350 1.00 0.00 H ATOM 619 H TYR A 41 10.573 4.889 15.877 1.00 0.00 H ATOM 620 N CYS A 42 9.317 1.100 15.934 1.00 9.25 N ATOM 621 CA CYS A 42 9.133 0.123 14.867 1.00 9.03 C ATOM 622 C CYS A 42 7.684 -0.318 14.823 1.00 9.33 C ATOM 623 O CYS A 42 7.165 -0.876 15.817 1.00 9.67 O ATOM 624 CB CYS A 42 10.055 -1.061 15.088 1.00 9.94 C ATOM 625 SG CYS A 42 11.797 -0.678 14.919 1.00 12.55 S ATOM 626 HA CYS A 42 9.384 0.577 13.908 1.00 0.00 H ATOM 627 HB2 CYS A 42 9.802 -1.832 14.360 1.00 0.00 H ATOM 628 HB3 CYS A 42 9.885 -1.444 16.094 1.00 0.00 H ATOM 629 HG CYS A 42 12.541 -1.819 15.139 1.00 0.00 H ATOM 630 H CYS A 42 9.045 0.829 16.901 1.00 0.00 H ATOM 631 N LEU A 43 7.051 -0.082 13.690 1.00 8.64 N ATOM 632 CA LEU A 43 5.708 -0.583 13.354 1.00 8.05 C ATOM 633 C LEU A 43 5.887 -1.944 12.699 1.00 7.93 C ATOM 634 O LEU A 43 6.485 -2.071 11.637 1.00 9.39 O ATOM 635 CB LEU A 43 5.016 0.412 12.425 1.00 8.86 C ATOM 636 CG LEU A 43 3.696 -0.056 11.838 1.00 9.99 C ATOM 637 CD1 LEU A 43 2.635 -0.233 12.949 1.00 11.52 C ATOM 638 CD2 LEU A 43 3.162 0.927 10.794 1.00 12.26 C ATOM 639 HA LEU A 43 5.079 -0.689 14.238 1.00 0.00 H ATOM 640 HB2 LEU A 43 4.829 1.325 12.989 1.00 0.00 H ATOM 641 HB3 LEU A 43 5.694 0.629 11.599 1.00 0.00 H ATOM 642 HG LEU A 43 3.886 -1.014 11.354 1.00 0.00 H ATOM 643 HD21 LEU A 43 3.006 1.900 11.260 1.00 0.00 H ATOM 644 HD22 LEU A 43 3.885 1.022 9.983 1.00 0.00 H ATOM 645 HD23 LEU A 43 2.217 0.556 10.398 1.00 0.00 H ATOM 646 HD11 LEU A 43 2.984 -0.974 13.668 1.00 0.00 H ATOM 647 HD12 LEU A 43 2.478 0.720 13.455 1.00 0.00 H ATOM 648 HD13 LEU A 43 1.698 -0.569 12.505 1.00 0.00 H ATOM 649 H LEU A 43 7.537 0.502 12.980 1.00 0.00 H ATOM 650 N CYS A 44 5.426 -2.984 13.389 1.00 8.07 N ATOM 651 CA CYS A 44 5.694 -4.349 13.052 1.00 8.04 C ATOM 652 C CYS A 44 4.434 -5.001 12.555 1.00 8.11 C ATOM 653 O CYS A 44 3.440 -5.018 13.314 1.00 8.56 O ATOM 654 CB CYS A 44 6.241 -5.073 14.299 1.00 8.59 C ATOM 655 SG CYS A 44 7.720 -4.351 15.003 1.00 9.61 S ATOM 656 HA CYS A 44 6.440 -4.405 12.259 1.00 0.00 H ATOM 657 HB2 CYS A 44 6.466 -6.103 14.021 1.00 0.00 H ATOM 658 HB3 CYS A 44 5.464 -5.066 15.063 1.00 0.00 H ATOM 659 HG CYS A 44 7.459 -3.050 15.382 1.00 0.00 H ATOM 660 H CYS A 44 4.835 -2.794 14.224 1.00 0.00 H ATOM 661 N VAL A 45 4.420 -5.508 11.328 1.00 8.41 N ATOM 662 CA VAL A 45 3.213 -5.999 10.644 1.00 9.11 C ATOM 663 C VAL A 45 3.426 -7.438 10.170 1.00 8.41 C ATOM 664 O VAL A 45 4.353 -7.696 9.400 1.00 8.98 O ATOM 665 CB VAL A 45 2.873 -5.079 9.425 1.00 10.53 C ATOM 666 CG1 VAL A 45 1.515 -5.481 8.881 1.00 11.89 C ATOM 667 CG2 VAL A 45 2.941 -3.629 9.815 1.00 10.85 C ATOM 668 HA VAL A 45 2.379 -5.978 11.345 1.00 0.00 H ATOM 669 HB VAL A 45 3.610 -5.209 8.633 1.00 0.00 H ATOM 670 HG11 VAL A 45 1.546 -6.523 8.563 1.00 0.00 H ATOM 671 HG12 VAL A 45 0.762 -5.360 9.660 1.00 0.00 H ATOM 672 HG13 VAL A 45 1.264 -4.848 8.030 1.00 0.00 H ATOM 673 HG21 VAL A 45 2.224 -3.435 10.613 1.00 0.00 H ATOM 674 HG22 VAL A 45 3.947 -3.394 10.163 1.00 0.00 H ATOM 675 HG23 VAL A 45 2.701 -3.010 8.951 1.00 0.00 H ATOM 676 H VAL A 45 5.323 -5.562 10.815 1.00 0.00 H ATOM 677 N LEU A 46 2.554 -8.336 10.563 1.00 8.44 N ATOM 678 CA LEU A 46 2.655 -9.744 10.158 1.00 8.87 C ATOM 679 C LEU A 46 2.080 -9.982 8.777 1.00 8.76 C ATOM 680 O LEU A 46 0.928 -9.610 8.517 1.00 9.84 O ATOM 681 CB LEU A 46 1.952 -10.624 11.187 1.00 9.70 C ATOM 682 CG LEU A 46 2.006 -12.133 10.963 1.00 10.45 C ATOM 683 CD1 LEU A 46 3.431 -12.657 11.074 1.00 12.86 C ATOM 684 CD2 LEU A 46 1.086 -12.831 11.962 1.00 12.01 C ATOM 685 HA LEU A 46 3.712 -10.005 10.113 1.00 0.00 H ATOM 686 HB2 LEU A 46 2.403 -10.419 12.158 1.00 0.00 H ATOM 687 HB3 LEU A 46 0.902 -10.332 11.207 1.00 0.00 H ATOM 688 HG LEU A 46 1.661 -12.350 9.952 1.00 0.00 H ATOM 689 HD21 LEU A 46 1.413 -12.602 12.976 1.00 0.00 H ATOM 690 HD22 LEU A 46 0.064 -12.479 11.820 1.00 0.00 H ATOM 691 HD23 LEU A 46 1.126 -13.908 11.800 1.00 0.00 H ATOM 692 HD11 LEU A 46 4.055 -12.171 10.323 1.00 0.00 H ATOM 693 HD12 LEU A 46 3.821 -12.439 12.068 1.00 0.00 H ATOM 694 HD13 LEU A 46 3.434 -13.734 10.909 1.00 0.00 H ATOM 695 H LEU A 46 1.769 -8.042 11.179 1.00 0.00 H ATOM 696 N TYR A 47 2.828 -10.681 7.944 1.00 9.21 N ATOM 697 CA TYR A 47 2.337 -11.120 6.641 1.00 9.19 C ATOM 698 C TYR A 47 3.098 -12.389 6.246 1.00 9.87 C ATOM 699 O TYR A 47 4.313 -12.376 6.105 1.00 10.35 O ATOM 700 CB TYR A 47 2.472 -10.060 5.573 1.00 10.07 C ATOM 701 CG TYR A 47 1.918 -10.496 4.242 1.00 10.69 C ATOM 702 CD1 TYR A 47 2.727 -10.826 3.172 1.00 13.21 C ATOM 703 CD2 TYR A 47 0.531 -10.535 4.077 1.00 11.39 C ATOM 704 CE1 TYR A 47 2.123 -11.203 1.989 1.00 14.37 C ATOM 705 CE2 TYR A 47 -0.064 -10.917 2.883 1.00 12.98 C ATOM 706 CZ TYR A 47 0.756 -11.251 1.838 1.00 14.01 C ATOM 707 OH TYR A 47 0.248 -11.633 0.614 1.00 18.40 O ATOM 708 HA TYR A 47 1.269 -11.321 6.725 1.00 0.00 H ATOM 709 HB3 TYR A 47 3.529 -9.823 5.449 1.00 0.00 H ATOM 710 HB2 TYR A 47 1.936 -9.168 5.898 1.00 0.00 H ATOM 711 HD2 TYR A 47 -0.106 -10.255 4.916 1.00 0.00 H ATOM 712 HE2 TYR A 47 -1.149 -10.950 2.780 1.00 0.00 H ATOM 713 HE1 TYR A 47 2.753 -11.473 1.142 1.00 0.00 H ATOM 714 HD1 TYR A 47 3.813 -10.790 3.259 1.00 0.00 H ATOM 715 HH TYR A 47 0.995 -11.832 -0.004 1.00 0.00 H ATOM 716 H TYR A 47 3.799 -10.927 8.225 1.00 0.00 H ATOM 717 N HIS A 48 2.351 -13.477 6.091 1.00 10.89 N ATOM 718 CA HIS A 48 2.900 -14.734 5.618 1.00 11.47 C ATOM 719 C HIS A 48 4.111 -15.175 6.443 1.00 11.32 C ATOM 720 O HIS A 48 5.132 -15.626 5.933 1.00 14.05 O ATOM 721 CB HIS A 48 3.273 -14.664 4.129 1.00 11.92 C ATOM 722 CG HIS A 48 2.084 -14.687 3.211 1.00 12.53 C ATOM 723 ND1 HIS A 48 2.227 -14.875 1.863 1.00 16.24 N ATOM 724 CD2 HIS A 48 0.758 -14.569 3.440 1.00 12.29 C ATOM 725 CE1 HIS A 48 1.058 -14.864 1.290 1.00 17.10 C ATOM 726 NE2 HIS A 48 0.142 -14.686 2.204 1.00 14.91 N ATOM 727 HA HIS A 48 2.115 -15.480 5.742 1.00 0.00 H ATOM 728 HB2 HIS A 48 3.826 -13.741 3.955 1.00 0.00 H ATOM 729 HB3 HIS A 48 3.909 -15.517 3.892 1.00 0.00 H ATOM 730 HD2 HIS A 48 0.271 -14.413 4.403 1.00 0.00 H ATOM 731 HE1 HIS A 48 0.874 -14.984 0.222 1.00 0.00 H ATOM 732 H HIS A 48 1.337 -13.426 6.317 1.00 0.00 H ATOM 733 N GLY A 49 3.957 -15.105 7.758 1.00 11.76 N ATOM 734 CA GLY A 49 4.911 -15.615 8.728 1.00 13.19 C ATOM 735 C GLY A 49 6.127 -14.719 8.956 1.00 11.96 C ATOM 736 O GLY A 49 7.002 -15.098 9.758 1.00 14.51 O ATOM 737 HA3 GLY A 49 5.264 -16.586 8.380 1.00 0.00 H ATOM 738 HA2 GLY A 49 4.395 -15.738 9.680 1.00 0.00 H ATOM 739 H GLY A 49 3.093 -14.654 8.120 1.00 0.00 H ATOM 740 N TYR A 50 6.211 -13.569 8.292 1.00 10.98 N ATOM 741 CA TYR A 50 7.318 -12.627 8.487 1.00 10.61 C ATOM 742 C TYR A 50 6.766 -11.320 9.020 1.00 9.44 C ATOM 743 O TYR A 50 5.608 -10.952 8.800 1.00 10.44 O ATOM 744 CB TYR A 50 8.112 -12.427 7.166 1.00 11.77 C ATOM 745 CG TYR A 50 8.994 -13.649 6.910 1.00 14.04 C ATOM 746 CD1 TYR A 50 8.495 -14.805 6.394 1.00 14.79 C ATOM 747 CD2 TYR A 50 10.334 -13.645 7.280 1.00 15.78 C ATOM 748 CE1 TYR A 50 9.309 -15.912 6.201 1.00 16.35 C ATOM 749 CE2 TYR A 50 11.185 -14.715 7.104 1.00 17.74 C ATOM 750 CZ TYR A 50 10.649 -15.862 6.545 1.00 17.61 C ATOM 751 OH TYR A 50 11.444 -16.974 6.380 1.00 22.90 O ATOM 752 HA TYR A 50 8.021 -13.030 9.216 1.00 0.00 H ATOM 753 HB3 TYR A 50 8.738 -11.538 7.249 1.00 0.00 H ATOM 754 HB2 TYR A 50 7.414 -12.303 6.338 1.00 0.00 H ATOM 755 HD2 TYR A 50 10.736 -12.741 7.737 1.00 0.00 H ATOM 756 HE2 TYR A 50 12.235 -14.660 7.393 1.00 0.00 H ATOM 757 HE1 TYR A 50 8.891 -16.825 5.777 1.00 0.00 H ATOM 758 HD1 TYR A 50 7.439 -14.862 6.128 1.00 0.00 H ATOM 759 HH TYR A 50 10.911 -17.701 5.970 1.00 0.00 H ATOM 760 H TYR A 50 5.464 -13.329 7.609 1.00 0.00 H ATOM 761 N ILE A 51 7.626 -10.601 9.716 1.00 9.43 N ATOM 762 CA ILE A 51 7.269 -9.357 10.407 1.00 8.71 C ATOM 763 C ILE A 51 7.916 -8.211 9.657 1.00 8.94 C ATOM 764 O ILE A 51 9.112 -7.923 9.789 1.00 9.49 O ATOM 765 CB ILE A 51 7.636 -9.391 11.898 1.00 9.57 C ATOM 766 CG1 ILE A 51 6.877 -10.489 12.634 1.00 11.51 C ATOM 767 CG2 ILE A 51 7.340 -8.025 12.509 1.00 9.99 C ATOM 768 CD1 ILE A 51 7.189 -11.913 12.447 1.00 13.04 C ATOM 769 HA ILE A 51 6.187 -9.222 10.401 1.00 0.00 H ATOM 770 HB ILE A 51 8.698 -9.616 11.998 1.00 0.00 H ATOM 771 HG12 ILE A 51 7.002 -10.286 13.698 1.00 0.00 H ATOM 772 HG13 ILE A 51 5.828 -10.368 12.364 1.00 0.00 H ATOM 773 HD11 ILE A 51 7.048 -12.180 11.400 1.00 0.00 H ATOM 774 HD12 ILE A 51 8.224 -12.098 12.735 1.00 0.00 H ATOM 775 HD13 ILE A 51 6.525 -12.514 13.069 1.00 0.00 H ATOM 776 HG21 ILE A 51 7.932 -7.265 12.000 1.00 0.00 H ATOM 777 HG22 ILE A 51 6.280 -7.799 12.394 1.00 0.00 H ATOM 778 HG23 ILE A 51 7.597 -8.039 13.568 1.00 0.00 H ATOM 779 H ILE A 51 8.609 -10.934 9.778 1.00 0.00 H ATOM 780 N TYR A 52 7.103 -7.549 8.818 1.00 8.87 N ATOM 781 CA TYR A 52 7.523 -6.401 8.024 1.00 8.95 C ATOM 782 C TYR A 52 7.566 -5.196 8.933 1.00 8.79 C ATOM 783 O TYR A 52 6.546 -4.870 9.560 1.00 9.43 O ATOM 784 CB TYR A 52 6.599 -6.227 6.809 1.00 9.82 C ATOM 785 CG TYR A 52 6.769 -7.352 5.826 1.00 9.77 C ATOM 786 CD1 TYR A 52 6.171 -8.583 6.037 1.00 10.04 C ATOM 787 CD2 TYR A 52 7.581 -7.227 4.699 1.00 11.49 C ATOM 788 CE1 TYR A 52 6.330 -9.627 5.177 1.00 11.90 C ATOM 789 CE2 TYR A 52 7.751 -8.274 3.800 1.00 12.84 C ATOM 790 CZ TYR A 52 7.116 -9.468 4.045 1.00 12.86 C ATOM 791 OH TYR A 52 7.270 -10.516 3.193 1.00 14.57 O ATOM 792 HA TYR A 52 8.522 -6.544 7.611 1.00 0.00 H ATOM 793 HB3 TYR A 52 6.836 -5.285 6.315 1.00 0.00 H ATOM 794 HB2 TYR A 52 5.564 -6.207 7.150 1.00 0.00 H ATOM 795 HD2 TYR A 52 8.096 -6.284 4.518 1.00 0.00 H ATOM 796 HE2 TYR A 52 8.377 -8.150 2.916 1.00 0.00 H ATOM 797 HE1 TYR A 52 5.843 -10.581 5.377 1.00 0.00 H ATOM 798 HD1 TYR A 52 5.551 -8.721 6.923 1.00 0.00 H ATOM 799 HH TYR A 52 6.745 -11.288 3.523 1.00 0.00 H ATOM 800 H TYR A 52 6.119 -7.873 8.730 1.00 0.00 H ATOM 801 N THR A 53 8.737 -4.586 9.055 1.00 8.30 N ATOM 802 CA THR A 53 8.996 -3.643 10.133 1.00 8.29 C ATOM 803 C THR A 53 9.384 -2.299 9.550 1.00 8.26 C ATOM 804 O THR A 53 10.386 -2.196 8.794 1.00 10.05 O ATOM 805 CB THR A 53 10.098 -4.225 11.054 1.00 9.01 C ATOM 806 OG1 THR A 53 9.695 -5.497 11.548 1.00 9.73 O ATOM 807 CG2 THR A 53 10.340 -3.320 12.250 1.00 10.75 C ATOM 808 HA THR A 53 8.101 -3.488 10.735 1.00 0.00 H ATOM 809 HB THR A 53 11.010 -4.309 10.464 1.00 0.00 H ATOM 810 HG1 THR A 53 10.404 -5.861 12.135 1.00 0.00 H ATOM 811 HG23 THR A 53 10.651 -2.335 11.902 1.00 0.00 H ATOM 812 HG21 THR A 53 9.420 -3.229 12.827 1.00 0.00 H ATOM 813 HG22 THR A 53 11.122 -3.749 12.876 1.00 0.00 H ATOM 814 H THR A 53 9.488 -4.786 8.364 1.00 0.00 H ATOM 815 N TYR A 54 8.595 -1.292 9.883 1.00 8.50 N ATOM 816 CA TYR A 54 8.688 0.046 9.368 1.00 8.54 C ATOM 817 C TYR A 54 9.130 0.977 10.480 1.00 9.00 C ATOM 818 O TYR A 54 8.469 1.106 11.537 1.00 9.89 O ATOM 819 CB TYR A 54 7.350 0.517 8.786 1.00 9.33 C ATOM 820 CG TYR A 54 6.866 -0.378 7.660 1.00 9.22 C ATOM 821 CD1 TYR A 54 6.113 -1.523 7.899 1.00 9.26 C ATOM 822 CD2 TYR A 54 7.207 -0.083 6.368 1.00 9.45 C ATOM 823 CE1 TYR A 54 5.683 -2.351 6.899 1.00 9.56 C ATOM 824 CE2 TYR A 54 6.783 -0.929 5.368 1.00 10.19 C ATOM 825 CZ TYR A 54 6.039 -2.054 5.609 1.00 9.31 C ATOM 826 OH TYR A 54 5.593 -2.884 4.606 1.00 10.62 O ATOM 827 HA TYR A 54 9.420 0.057 8.561 1.00 0.00 H ATOM 828 HB3 TYR A 54 7.471 1.530 8.402 1.00 0.00 H ATOM 829 HB2 TYR A 54 6.603 0.518 9.580 1.00 0.00 H ATOM 830 HD2 TYR A 54 7.801 0.801 6.136 1.00 0.00 H ATOM 831 HE2 TYR A 54 7.051 -0.693 4.338 1.00 0.00 H ATOM 832 HE1 TYR A 54 5.072 -3.226 7.122 1.00 0.00 H ATOM 833 HD1 TYR A 54 5.854 -1.771 8.928 1.00 0.00 H ATOM 834 HH TYR A 54 6.369 -3.244 4.108 1.00 0.00 H ATOM 835 H TYR A 54 7.844 -1.484 10.576 1.00 0.00 H ATOM 836 N ARG A 55 10.273 1.635 10.317 1.00 8.99 N ATOM 837 CA ARG A 55 10.779 2.540 11.331 1.00 9.30 C ATOM 838 C ARG A 55 10.006 3.855 11.284 1.00 9.04 C ATOM 839 O ARG A 55 9.809 4.438 10.215 1.00 10.80 O ATOM 840 CB ARG A 55 12.255 2.778 11.090 1.00 9.60 C ATOM 841 CG ARG A 55 13.089 1.503 11.251 1.00 11.09 C ATOM 842 CD ARG A 55 14.531 1.724 10.963 1.00 12.60 C ATOM 843 NE ARG A 55 15.393 0.536 10.991 1.00 12.79 N ATOM 844 CZ ARG A 55 15.853 -0.067 9.907 1.00 11.24 C ATOM 845 NH1 ARG A 55 15.601 0.267 8.635 1.00 13.70 N ATOM 846 NH2 ARG A 55 16.683 -1.110 10.084 1.00 12.83 N ATOM 847 HA ARG A 55 10.646 2.101 12.320 1.00 0.00 H ATOM 848 HB2 ARG A 55 12.387 3.157 10.077 1.00 0.00 H ATOM 849 HB3 ARG A 55 12.611 3.521 11.804 1.00 0.00 H ATOM 850 HG2 ARG A 55 12.988 1.146 12.276 1.00 0.00 H ATOM 851 HG3 ARG A 55 12.707 0.747 10.565 1.00 0.00 H ATOM 852 HD2 ARG A 55 14.913 2.428 11.702 1.00 0.00 H ATOM 853 HD3 ARG A 55 14.607 2.166 9.969 1.00 0.00 H ATOM 854 HE ARG A 55 15.658 0.145 11.918 1.00 0.00 H ATOM 855 HH12 ARG A 55 16.021 -0.284 7.860 1.00 0.00 H ATOM 856 HH11 ARG A 55 14.985 1.078 8.422 1.00 0.00 H ATOM 857 HH22 ARG A 55 17.068 -1.614 9.260 1.00 0.00 H ATOM 858 HH21 ARG A 55 16.939 -1.413 11.045 1.00 0.00 H ATOM 859 H ARG A 55 10.818 1.498 9.442 1.00 0.00 H ATOM 860 N VAL A 56 9.574 4.315 12.463 1.00 9.17 N ATOM 861 CA VAL A 56 8.706 5.468 12.645 1.00 9.47 C ATOM 862 C VAL A 56 9.399 6.439 13.577 1.00 9.55 C ATOM 863 O VAL A 56 9.819 6.065 14.671 1.00 11.35 O ATOM 864 CB VAL A 56 7.334 5.020 13.148 1.00 10.23 C ATOM 865 CG1 VAL A 56 6.464 6.185 13.566 1.00 13.31 C ATOM 866 CG2 VAL A 56 6.623 4.148 12.100 1.00 11.48 C ATOM 867 HA VAL A 56 8.525 5.980 11.700 1.00 0.00 H ATOM 868 HB VAL A 56 7.504 4.417 14.040 1.00 0.00 H ATOM 869 HG11 VAL A 56 6.955 6.734 14.370 1.00 0.00 H ATOM 870 HG12 VAL A 56 6.311 6.847 12.713 1.00 0.00 H ATOM 871 HG13 VAL A 56 5.501 5.811 13.915 1.00 0.00 H ATOM 872 HG21 VAL A 56 6.490 4.721 11.182 1.00 0.00 H ATOM 873 HG22 VAL A 56 7.227 3.264 11.894 1.00 0.00 H ATOM 874 HG23 VAL A 56 5.649 3.843 12.483 1.00 0.00 H ATOM 875 H VAL A 56 9.883 3.808 13.317 1.00 0.00 H ATOM 876 N SER A 57 9.486 7.688 13.122 1.00 10.07 N ATOM 877 CA SER A 57 10.220 8.739 13.797 1.00 11.56 C ATOM 878 C SER A 57 9.413 10.020 13.948 1.00 10.72 C ATOM 879 O SER A 57 8.594 10.296 13.076 1.00 10.93 O ATOM 880 CB SER A 57 11.541 9.078 13.005 1.00 13.02 C ATOM 881 OG SER A 57 12.275 7.871 12.757 1.00 16.49 O ATOM 882 HA SER A 57 10.449 8.359 14.793 1.00 0.00 H ATOM 883 HB2 SER A 57 12.153 9.761 13.594 1.00 0.00 H ATOM 884 HB3 SER A 57 11.285 9.549 12.056 1.00 0.00 H ATOM 885 HG SER A 57 11.719 7.252 12.221 1.00 0.00 H ATOM 886 H SER A 57 9.000 7.922 12.233 1.00 0.00 H ATOM 887 N GLN A 58 9.746 10.784 14.982 1.00 11.39 N ATOM 888 CA GLN A 58 9.117 12.084 15.171 1.00 12.89 C ATOM 889 C GLN A 58 10.053 13.190 14.748 1.00 14.82 C ATOM 890 O GLN A 58 11.248 13.095 15.078 1.00 16.82 O ATOM 891 CB GLN A 58 8.613 12.184 16.624 1.00 13.56 C ATOM 892 CG GLN A 58 7.790 13.409 16.878 1.00 12.39 C ATOM 893 CD GLN A 58 7.245 13.467 18.288 1.00 11.68 C ATOM 894 OE1 GLN A 58 7.896 13.111 19.292 1.00 11.77 O ATOM 895 NE2 GLN A 58 6.031 13.990 18.370 1.00 12.36 N ATOM 896 HA GLN A 58 8.244 12.198 14.529 1.00 0.00 H ATOM 897 HB2 GLN A 58 8.005 11.306 16.842 1.00 0.00 H ATOM 898 HB3 GLN A 58 9.476 12.201 17.290 1.00 0.00 H ATOM 899 HG2 GLN A 58 8.412 14.288 16.708 1.00 0.00 H ATOM 900 HG3 GLN A 58 6.953 13.417 16.180 1.00 0.00 H ATOM 901 HE22 GLN A 58 5.527 14.272 17.505 1.00 0.00 H ATOM 902 HE21 GLN A 58 5.582 14.119 19.299 1.00 0.00 H ATOM 903 H GLN A 58 10.460 10.452 15.661 1.00 0.00 H ATOM 904 N THR A 59 9.540 14.239 14.143 1.00 16.69 N ATOM 905 CA THR A 59 10.321 15.393 13.722 1.00 16.61 C ATOM 906 C THR A 59 10.318 16.469 14.803 1.00 15.45 C ATOM 907 O THR A 59 9.555 16.462 15.765 1.00 14.05 O ATOM 908 CB THR A 59 9.822 16.026 12.403 1.00 20.33 C ATOM 909 OG1 THR A 59 8.608 16.714 12.703 1.00 20.35 O ATOM 910 CG2 THR A 59 9.458 14.977 11.362 1.00 26.31 C ATOM 911 HA THR A 59 11.330 15.016 13.553 1.00 0.00 H ATOM 912 HB THR A 59 10.615 16.663 12.011 1.00 0.00 H ATOM 913 HG1 THR A 59 8.256 17.135 11.879 1.00 0.00 H ATOM 914 HG23 THR A 59 10.350 14.413 11.089 1.00 0.00 H ATOM 915 HG21 THR A 59 8.711 14.300 11.776 1.00 0.00 H ATOM 916 HG22 THR A 59 9.053 15.470 10.478 1.00 0.00 H ATOM 917 H THR A 59 8.517 14.244 13.954 1.00 0.00 H ATOM 918 N GLU A 60 11.160 17.470 14.591 1.00 18.03 N ATOM 919 CA GLU A 60 11.226 18.578 15.545 1.00 17.13 C ATOM 920 C GLU A 60 9.962 19.432 15.463 1.00 14.69 C ATOM 921 O GLU A 60 9.764 20.303 16.322 1.00 15.90 O ATOM 922 CB GLU A 60 12.413 19.515 15.334 1.00 20.00 C ATOM 923 CG GLU A 60 12.240 20.251 14.005 1.00 25.19 C ATOM 924 CD GLU A 60 13.586 20.612 13.408 1.00 30.05 C ATOM 925 OE1 GLU A 60 14.622 20.565 14.125 1.00 35.48 O ATOM 926 OE2 GLU A 60 13.561 20.901 12.208 1.00 38.57 O ATOM 927 HA GLU A 60 11.336 18.099 16.518 1.00 0.00 H ATOM 928 HB2 GLU A 60 12.457 20.238 16.149 1.00 0.00 H ATOM 929 HB3 GLU A 60 13.336 18.936 15.313 1.00 0.00 H ATOM 930 HG2 GLU A 60 11.701 19.609 13.309 1.00 0.00 H ATOM 931 HG3 GLU A 60 11.668 21.163 14.174 1.00 0.00 H ATOM 932 H GLU A 60 11.772 17.468 13.750 1.00 0.00 H ATOM 933 N THR A 61 9.138 19.183 14.459 1.00 16.41 N ATOM 934 CA THR A 61 7.878 19.877 14.396 1.00 18.39 C ATOM 935 C THR A 61 6.760 19.140 15.110 1.00 17.07 C ATOM 936 O THR A 61 5.664 19.664 15.180 1.00 19.33 O ATOM 937 CB THR A 61 7.464 20.062 12.924 1.00 24.06 C ATOM 938 OG1 THR A 61 7.144 18.807 12.365 1.00 28.85 O ATOM 939 CG2 THR A 61 8.651 20.591 12.113 1.00 34.07 C ATOM 940 HA THR A 61 8.025 20.835 14.895 1.00 0.00 H ATOM 941 HB THR A 61 6.619 20.750 12.893 1.00 0.00 H ATOM 942 HG1 THR A 61 7.935 18.214 12.414 1.00 0.00 H ATOM 943 HG23 THR A 61 8.948 21.566 12.499 1.00 0.00 H ATOM 944 HG21 THR A 61 9.486 19.896 12.198 1.00 0.00 H ATOM 945 HG22 THR A 61 8.361 20.686 11.067 1.00 0.00 H ATOM 946 H THR A 61 9.397 18.494 13.724 1.00 0.00 H ATOM 947 N GLY A 62 7.048 17.920 15.595 1.00 14.82 N ATOM 948 CA GLY A 62 6.101 17.046 16.252 1.00 13.68 C ATOM 949 C GLY A 62 5.430 16.027 15.394 1.00 12.70 C ATOM 950 O GLY A 62 4.715 15.164 15.907 1.00 13.51 O ATOM 951 HA3 GLY A 62 5.325 17.671 16.694 1.00 0.00 H ATOM 952 HA2 GLY A 62 6.632 16.516 17.042 1.00 0.00 H ATOM 953 H GLY A 62 8.025 17.579 15.490 1.00 0.00 H ATOM 954 N SER A 63 5.645 16.093 14.097 1.00 12.56 N ATOM 955 CA SER A 63 4.956 15.180 13.193 1.00 12.97 C ATOM 956 C SER A 63 5.721 13.852 13.163 1.00 12.13 C ATOM 957 O SER A 63 6.884 13.738 13.559 1.00 13.61 O ATOM 958 CB SER A 63 4.813 15.777 11.815 1.00 15.02 C ATOM 959 OG SER A 63 6.091 15.922 11.280 1.00 19.32 O ATOM 960 HA SER A 63 3.943 15.000 13.554 1.00 0.00 H ATOM 961 HB2 SER A 63 4.325 16.750 11.881 1.00 0.00 H ATOM 962 HB3 SER A 63 4.219 15.116 11.184 1.00 0.00 H ATOM 963 HG SER A 63 6.625 16.520 11.861 1.00 0.00 H ATOM 964 H SER A 63 6.308 16.798 13.716 1.00 0.00 H ATOM 965 N TRP A 64 5.028 12.818 12.678 1.00 11.18 N ATOM 966 CA TRP A 64 5.473 11.454 12.616 1.00 10.49 C ATOM 967 C TRP A 64 5.515 10.950 11.189 1.00 10.02 C ATOM 968 O TRP A 64 4.606 11.279 10.404 1.00 11.88 O ATOM 969 CB TRP A 64 4.507 10.557 13.421 1.00 11.41 C ATOM 970 CG TRP A 64 4.508 10.831 14.894 1.00 12.46 C ATOM 971 CD1 TRP A 64 3.707 11.719 15.577 1.00 13.59 C ATOM 972 CD2 TRP A 64 5.365 10.220 15.860 1.00 12.60 C ATOM 973 NE1 TRP A 64 4.037 11.653 16.933 1.00 13.91 N ATOM 974 CE2 TRP A 64 5.047 10.753 17.115 1.00 14.45 C ATOM 975 CE3 TRP A 64 6.379 9.260 15.773 1.00 14.51 C ATOM 976 CZ2 TRP A 64 5.713 10.350 18.290 1.00 16.68 C ATOM 977 CZ3 TRP A 64 7.032 8.863 16.913 1.00 16.32 C ATOM 978 CH2 TRP A 64 6.697 9.419 18.149 1.00 17.66 C ATOM 979 HA TRP A 64 6.478 11.414 13.035 1.00 0.00 H ATOM 980 HB2 TRP A 64 3.497 10.715 13.043 1.00 0.00 H ATOM 981 HB3 TRP A 64 4.794 9.517 13.265 1.00 0.00 H ATOM 982 HE1 TRP A 64 3.583 12.205 17.688 1.00 0.00 H ATOM 983 HD1 TRP A 64 2.946 12.363 15.135 1.00 0.00 H ATOM 984 HZ2 TRP A 64 5.453 10.763 19.264 1.00 0.00 H ATOM 985 HH2 TRP A 64 7.244 9.096 19.035 1.00 0.00 H ATOM 986 HZ3 TRP A 64 7.817 8.109 16.853 1.00 0.00 H ATOM 987 HE3 TRP A 64 6.648 8.831 14.808 1.00 0.00 H ATOM 988 H TRP A 64 4.076 13.020 12.311 1.00 0.00 H ATOM 989 N SER A 65 6.492 10.117 10.884 1.00 10.74 N ATOM 990 CA SER A 65 6.551 9.507 9.552 1.00 10.83 C ATOM 991 C SER A 65 7.224 8.150 9.623 1.00 10.21 C ATOM 992 O SER A 65 8.047 7.900 10.501 1.00 12.29 O ATOM 993 CB SER A 65 7.251 10.411 8.558 1.00 11.67 C ATOM 994 OG SER A 65 8.621 10.554 8.871 1.00 14.97 O ATOM 995 HA SER A 65 5.529 9.368 9.199 1.00 0.00 H ATOM 996 HB2 SER A 65 6.778 11.393 8.576 1.00 0.00 H ATOM 997 HB3 SER A 65 7.157 9.982 7.560 1.00 0.00 H ATOM 998 HG SER A 65 8.712 10.948 9.775 1.00 0.00 H ATOM 999 H SER A 65 7.222 9.893 11.590 1.00 0.00 H ATOM 1000 N ALA A 66 6.936 7.314 8.648 1.00 10.69 N ATOM 1001 CA ALA A 66 7.552 6.009 8.459 1.00 9.98 C ATOM 1002 C ALA A 66 8.642 6.070 7.387 1.00 11.10 C ATOM 1003 O ALA A 66 8.537 6.883 6.436 1.00 12.23 O ATOM 1004 CB ALA A 66 6.526 4.979 8.060 1.00 11.27 C ATOM 1005 HA ALA A 66 7.998 5.720 9.411 1.00 0.00 H ATOM 1006 HB1 ALA A 66 5.770 4.899 8.841 1.00 0.00 H ATOM 1007 HB2 ALA A 66 6.054 5.282 7.125 1.00 0.00 H ATOM 1008 HB3 ALA A 66 7.015 4.014 7.926 1.00 0.00 H ATOM 1009 H ALA A 66 6.213 7.608 7.960 1.00 0.00 H ATOM 1010 N GLU A 67 9.636 5.214 7.520 1.00 10.88 N ATOM 1011 CA GLU A 67 10.685 5.128 6.522 1.00 11.94 C ATOM 1012 C GLU A 67 10.108 4.870 5.160 1.00 10.85 C ATOM 1013 O GLU A 67 9.321 3.938 4.974 1.00 10.51 O ATOM 1014 CB GLU A 67 11.686 4.019 6.909 1.00 12.57 C ATOM 1015 CG GLU A 67 12.948 4.029 6.046 1.00 15.01 C ATOM 1016 CD GLU A 67 13.956 2.958 6.438 1.00 16.02 C ATOM 1017 OE1 GLU A 67 13.995 2.593 7.594 1.00 17.96 O ATOM 1018 OE2 GLU A 67 14.750 2.514 5.583 1.00 19.90 O ATOM 1019 HA GLU A 67 11.212 6.082 6.486 1.00 0.00 H ATOM 1020 HB2 GLU A 67 11.975 4.159 7.950 1.00 0.00 H ATOM 1021 HB3 GLU A 67 11.195 3.052 6.797 1.00 0.00 H ATOM 1022 HG2 GLU A 67 12.658 3.868 5.008 1.00 0.00 H ATOM 1023 HG3 GLU A 67 13.425 5.004 6.142 1.00 0.00 H ATOM 1024 H GLU A 67 9.668 4.592 8.352 1.00 0.00 H ATOM 1025 N THR A 68 10.500 5.697 4.179 1.00 10.85 N ATOM 1026 CA THR A 68 9.863 5.667 2.846 1.00 10.82 C ATOM 1027 C THR A 68 10.893 5.462 1.758 1.00 12.18 C ATOM 1028 O THR A 68 12.018 6.004 1.870 1.00 13.29 O ATOM 1029 CB THR A 68 9.128 7.007 2.677 1.00 11.92 C ATOM 1030 OG1 THR A 68 8.167 7.183 3.717 1.00 12.47 O ATOM 1031 CG2 THR A 68 8.364 7.146 1.396 1.00 14.56 C ATOM 1032 HA THR A 68 9.164 4.834 2.766 1.00 0.00 H ATOM 1033 HB THR A 68 9.927 7.749 2.696 1.00 0.00 H ATOM 1034 HG1 THR A 68 8.626 7.175 4.594 1.00 0.00 H ATOM 1035 HG23 THR A 68 9.044 7.021 0.553 1.00 0.00 H ATOM 1036 HG21 THR A 68 7.587 6.383 1.353 1.00 0.00 H ATOM 1037 HG22 THR A 68 7.907 8.135 1.352 1.00 0.00 H ATOM 1038 H THR A 68 11.269 6.374 4.361 1.00 0.00 H ATOM 1039 N ALA A 69 10.503 4.728 0.715 1.00 11.95 N ATOM 1040 CA ALA A 69 11.399 4.410 -0.379 1.00 14.17 C ATOM 1041 C ALA A 69 11.866 5.677 -1.091 1.00 14.58 C ATOM 1042 O ALA A 69 11.119 6.649 -1.180 1.00 15.07 O ATOM 1043 CB ALA A 69 10.718 3.472 -1.380 1.00 16.71 C ATOM 1044 HA ALA A 69 12.270 3.907 0.041 1.00 0.00 H ATOM 1045 HB1 ALA A 69 10.435 2.548 -0.876 1.00 0.00 H ATOM 1046 HB2 ALA A 69 9.828 3.956 -1.782 1.00 0.00 H ATOM 1047 HB3 ALA A 69 11.409 3.247 -2.193 1.00 0.00 H ATOM 1048 H ALA A 69 9.526 4.373 0.686 1.00 0.00 H ATOM 1049 N PRO A 70 13.083 5.613 -1.639 1.00 16.68 N ATOM 1050 CA PRO A 70 13.573 6.767 -2.419 1.00 19.38 C ATOM 1051 C PRO A 70 12.621 7.102 -3.550 1.00 23.25 C ATOM 1052 O PRO A 70 12.109 6.220 -4.242 1.00 26.02 O ATOM 1053 CB PRO A 70 14.934 6.342 -2.954 1.00 22.24 C ATOM 1054 CG PRO A 70 15.337 5.230 -2.077 1.00 22.99 C ATOM 1055 CD PRO A 70 14.092 4.538 -1.575 1.00 19.15 C ATOM 1056 HA PRO A 70 13.644 7.667 -1.809 1.00 0.00 H ATOM 1057 HD3 PRO A 70 13.819 3.702 -2.219 1.00 0.00 H ATOM 1058 HD2 PRO A 70 14.224 4.181 -0.554 1.00 0.00 H ATOM 1059 HG3 PRO A 70 15.909 5.616 -1.233 1.00 0.00 H ATOM 1060 HG2 PRO A 70 15.950 4.524 -2.637 1.00 0.00 H ATOM 1061 HB2 PRO A 70 14.856 6.009 -3.989 1.00 0.00 H ATOM 1062 HB3 PRO A 70 15.648 7.163 -2.890 1.00 0.00 H ATOM 1063 N GLY A 71 12.392 8.403 -3.676 1.00 27.75 N ATOM 1064 CA GLY A 71 11.599 8.988 -4.738 1.00 28.77 C ATOM 1065 C GLY A 71 10.111 8.989 -4.482 1.00 26.35 C ATOM 1066 O GLY A 71 9.315 9.611 -5.187 1.00 36.36 O ATOM 1067 HA3 GLY A 71 11.787 8.426 -5.653 1.00 0.00 H ATOM 1068 HA2 GLY A 71 11.922 10.020 -4.875 1.00 0.00 H ATOM 1069 H GLY A 71 12.807 9.042 -2.969 1.00 0.00 H ATOM 1070 N VAL A 72 9.642 8.299 -3.440 1.00 19.22 N ATOM 1071 CA VAL A 72 8.230 8.248 -3.084 1.00 15.98 C ATOM 1072 C VAL A 72 7.894 9.421 -2.193 1.00 15.43 C ATOM 1073 O VAL A 72 8.653 9.726 -1.299 1.00 16.94 O ATOM 1074 CB VAL A 72 7.971 6.914 -2.365 1.00 14.71 C ATOM 1075 CG1 VAL A 72 6.562 6.876 -1.797 1.00 16.81 C ATOM 1076 CG2 VAL A 72 8.200 5.765 -3.333 1.00 19.20 C ATOM 1077 HA VAL A 72 7.599 8.309 -3.971 1.00 0.00 H ATOM 1078 HB VAL A 72 8.665 6.815 -1.531 1.00 0.00 H ATOM 1079 HG11 VAL A 72 6.437 7.691 -1.085 1.00 0.00 H ATOM 1080 HG12 VAL A 72 5.842 6.986 -2.608 1.00 0.00 H ATOM 1081 HG13 VAL A 72 6.401 5.923 -1.293 1.00 0.00 H ATOM 1082 HG21 VAL A 72 7.518 5.862 -4.178 1.00 0.00 H ATOM 1083 HG22 VAL A 72 9.229 5.792 -3.690 1.00 0.00 H ATOM 1084 HG23 VAL A 72 8.016 4.820 -2.823 1.00 0.00 H ATOM 1085 H VAL A 72 10.319 7.771 -2.853 1.00 0.00 H ATOM 1086 N HIS A 73 6.717 9.987 -2.448 1.00 15.58 N ATOM 1087 CA HIS A 73 6.176 11.115 -1.687 1.00 16.34 C ATOM 1088 C HIS A 73 6.009 10.692 -0.214 1.00 15.31 C ATOM 1089 O HIS A 73 5.209 9.832 0.126 1.00 15.91 O ATOM 1090 CB HIS A 73 4.852 11.533 -2.325 1.00 17.96 C ATOM 1091 CG HIS A 73 4.207 12.691 -1.632 1.00 18.86 C ATOM 1092 ND1 HIS A 73 4.820 13.921 -1.540 1.00 19.70 N ATOM 1093 CD2 HIS A 73 3.017 12.780 -0.988 1.00 22.29 C ATOM 1094 CE1 HIS A 73 4.007 14.723 -0.859 1.00 22.46 C ATOM 1095 NE2 HIS A 73 2.886 14.062 -0.517 1.00 24.35 N ATOM 1096 HA HIS A 73 6.849 11.972 -1.707 1.00 0.00 H ATOM 1097 HB2 HIS A 73 5.039 11.809 -3.363 1.00 0.00 H ATOM 1098 HB3 HIS A 73 4.168 10.685 -2.294 1.00 0.00 H ATOM 1099 HD2 HIS A 73 2.292 11.975 -0.866 1.00 0.00 H ATOM 1100 HE1 HIS A 73 4.218 15.764 -0.614 1.00 0.00 H ATOM 1101 H HIS A 73 6.149 9.607 -3.232 1.00 0.00 H ATOM 1102 N LYS A 74 6.787 11.280 0.661 1.00 15.19 N ATOM 1103 CA LYS A 74 6.783 10.937 2.077 1.00 14.22 C ATOM 1104 C LYS A 74 5.664 11.635 2.831 1.00 13.86 C ATOM 1105 O LYS A 74 5.457 12.833 2.665 1.00 16.52 O ATOM 1106 CB LYS A 74 8.142 11.275 2.683 1.00 15.54 C ATOM 1107 CG LYS A 74 8.305 10.908 4.145 1.00 16.25 C ATOM 1108 CD LYS A 74 9.749 11.074 4.632 1.00 18.73 C ATOM 1109 CE LYS A 74 10.001 10.493 6.074 1.00 22.94 C ATOM 1110 NZ LYS A 74 11.455 10.160 6.231 1.00 31.03 N ATOM 1111 HA LYS A 74 6.600 9.866 2.169 1.00 0.00 H ATOM 1112 HB2 LYS A 74 8.906 10.745 2.115 1.00 0.00 H ATOM 1113 HB3 LYS A 74 8.298 12.349 2.585 1.00 0.00 H ATOM 1114 HG2 LYS A 74 7.658 11.551 4.742 1.00 0.00 H ATOM 1115 HG3 LYS A 74 8.007 9.868 4.281 1.00 0.00 H ATOM 1116 HD2 LYS A 74 10.409 10.560 3.933 1.00 0.00 H ATOM 1117 HD3 LYS A 74 9.989 12.137 4.642 1.00 0.00 H ATOM 1118 HE2 LYS A 74 9.404 9.591 6.212 1.00 0.00 H ATOM 1119 HE3 LYS A 74 9.715 11.234 6.820 1.00 0.00 H ATOM 1120 HZ1 LYS A 74 11.726 9.452 5.519 1.00 0.00 H ATOM 1121 HZ2 LYS A 74 12.023 11.021 6.099 1.00 0.00 H ATOM 1122 HZ3 LYS A 74 11.621 9.776 7.183 1.00 0.00 H ATOM 1123 H LYS A 74 7.435 12.023 0.331 1.00 0.00 H ATOM 1124 N ARG A 75 4.954 10.876 3.661 1.00 12.00 N ATOM 1125 CA ARG A 75 3.791 11.373 4.368 1.00 12.45 C ATOM 1126 C ARG A 75 4.121 11.645 5.815 1.00 12.13 C ATOM 1127 O ARG A 75 4.717 10.818 6.517 1.00 13.66 O ATOM 1128 CB ARG A 75 2.624 10.385 4.295 1.00 12.16 C ATOM 1129 CG ARG A 75 1.941 10.475 2.901 1.00 11.97 C ATOM 1130 CD ARG A 75 0.876 9.391 2.932 1.00 11.67 C ATOM 1131 NE ARG A 75 1.453 8.147 2.372 1.00 11.35 N ATOM 1132 CZ ARG A 75 0.693 7.043 2.292 1.00 11.15 C ATOM 1133 NH1 ARG A 75 -0.551 6.994 2.740 1.00 10.92 N ATOM 1134 NH2 ARG A 75 1.250 5.974 1.699 1.00 10.34 N ATOM 1135 HA ARG A 75 3.493 12.302 3.881 1.00 0.00 H ATOM 1136 HB2 ARG A 75 2.997 9.373 4.450 1.00 0.00 H ATOM 1137 HB3 ARG A 75 1.897 10.626 5.070 1.00 0.00 H ATOM 1138 HG2 ARG A 75 1.489 11.456 2.755 1.00 0.00 H ATOM 1139 HG3 ARG A 75 2.661 10.286 2.105 1.00 0.00 H ATOM 1140 HD2 ARG A 75 0.019 9.700 2.334 1.00 0.00 H ATOM 1141 HD3 ARG A 75 0.557 9.218 3.960 1.00 0.00 H ATOM 1142 HE ARG A 75 2.439 8.129 2.043 1.00 0.00 H ATOM 1143 HH12 ARG A 75 -1.100 6.115 2.655 1.00 0.00 H ATOM 1144 HH11 ARG A 75 -0.980 7.835 3.177 1.00 0.00 H ATOM 1145 HH22 ARG A 75 0.710 5.090 1.608 1.00 0.00 H ATOM 1146 HH21 ARG A 75 2.221 6.031 1.331 1.00 0.00 H ATOM 1147 H ARG A 75 5.245 9.888 3.808 1.00 0.00 H ATOM 1148 N TYR A 76 3.673 12.749 6.361 1.00 12.88 N ATOM 1149 CA TYR A 76 3.820 13.165 7.738 1.00 11.81 C ATOM 1150 C TYR A 76 2.451 13.286 8.388 1.00 13.13 C ATOM 1151 O TYR A 76 1.461 13.735 7.771 1.00 16.23 O ATOM 1152 CB TYR A 76 4.567 14.513 7.831 1.00 13.14 C ATOM 1153 CG TYR A 76 5.993 14.431 7.349 1.00 13.54 C ATOM 1154 CD1 TYR A 76 7.036 14.144 8.212 1.00 15.04 C ATOM 1155 CD2 TYR A 76 6.335 14.617 6.027 1.00 15.83 C ATOM 1156 CE1 TYR A 76 8.362 14.038 7.865 1.00 16.01 C ATOM 1157 CE2 TYR A 76 7.644 14.523 5.631 1.00 15.79 C ATOM 1158 CZ TYR A 76 8.670 14.233 6.543 1.00 16.39 C ATOM 1159 OH TYR A 76 9.979 14.161 6.137 1.00 20.49 O ATOM 1160 HA TYR A 76 4.407 12.412 8.264 1.00 0.00 H ATOM 1161 HB3 TYR A 76 4.570 14.838 8.872 1.00 0.00 H ATOM 1162 HB2 TYR A 76 4.037 15.247 7.224 1.00 0.00 H ATOM 1163 HD2 TYR A 76 5.561 14.840 5.293 1.00 0.00 H ATOM 1164 HE2 TYR A 76 7.894 14.677 4.581 1.00 0.00 H ATOM 1165 HE1 TYR A 76 9.130 13.810 8.604 1.00 0.00 H ATOM 1166 HD1 TYR A 76 6.784 13.988 9.261 1.00 0.00 H ATOM 1167 HH TYR A 76 10.553 13.948 6.915 1.00 0.00 H ATOM 1168 H TYR A 76 3.155 13.397 5.735 1.00 0.00 H ATOM 1169 N PHE A 77 2.380 12.854 9.621 1.00 12.28 N ATOM 1170 CA PHE A 77 1.148 12.741 10.398 1.00 12.55 C ATOM 1171 C PHE A 77 1.276 13.510 11.707 1.00 13.23 C ATOM 1172 O PHE A 77 2.332 13.523 12.366 1.00 14.93 O ATOM 1173 CB PHE A 77 0.834 11.267 10.699 1.00 13.41 C ATOM 1174 CG PHE A 77 0.610 10.524 9.385 1.00 12.15 C ATOM 1175 CD1 PHE A 77 1.669 9.771 8.874 1.00 11.64 C ATOM 1176 CD2 PHE A 77 -0.563 10.582 8.676 1.00 13.94 C ATOM 1177 CE1 PHE A 77 1.494 9.087 7.685 1.00 13.28 C ATOM 1178 CE2 PHE A 77 -0.742 9.917 7.485 1.00 13.71 C ATOM 1179 CZ PHE A 77 0.322 9.158 6.976 1.00 14.08 C ATOM 1180 HA PHE A 77 0.335 13.165 9.809 1.00 0.00 H ATOM 1181 HB2 PHE A 77 1.670 10.818 11.234 1.00 0.00 H ATOM 1182 HB3 PHE A 77 -0.065 11.203 11.312 1.00 0.00 H ATOM 1183 HD2 PHE A 77 -1.385 11.178 9.072 1.00 0.00 H ATOM 1184 HE2 PHE A 77 -1.689 9.979 6.949 1.00 0.00 H ATOM 1185 HZ PHE A 77 0.219 8.631 6.028 1.00 0.00 H ATOM 1186 HE1 PHE A 77 2.310 8.475 7.301 1.00 0.00 H ATOM 1187 HD1 PHE A 77 2.620 9.723 9.405 1.00 0.00 H ATOM 1188 H PHE A 77 3.267 12.570 10.083 1.00 0.00 H ATOM 1189 N ARG A 78 0.175 14.159 12.139 1.00 15.78 N ATOM 1190 CA ARG A 78 0.318 14.947 13.376 1.00 16.17 C ATOM 1191 C ARG A 78 0.561 14.110 14.594 1.00 15.14 C ATOM 1192 O ARG A 78 1.293 14.500 15.519 1.00 17.11 O ATOM 1193 CB ARG A 78 -0.930 15.837 13.519 1.00 20.31 C ATOM 1194 CG ARG A 78 -0.762 17.144 12.731 1.00 22.80 C ATOM 1195 CD ARG A 78 0.188 18.079 13.463 1.00 29.91 C ATOM 1196 NE ARG A 78 0.543 19.317 12.814 1.00 33.60 N ATOM 1197 CZ ARG A 78 -0.130 20.459 12.776 1.00 33.72 C ATOM 1198 NH1 ARG A 78 -1.301 20.589 13.375 1.00 32.18 N ATOM 1199 NH2 ARG A 78 0.372 21.499 12.121 1.00 38.08 N ATOM 1200 HA ARG A 78 1.212 15.565 13.296 1.00 0.00 H ATOM 1201 HB2 ARG A 78 -1.798 15.299 13.138 1.00 0.00 H ATOM 1202 HB3 ARG A 78 -1.083 16.072 14.572 1.00 0.00 H ATOM 1203 HG2 ARG A 78 -0.358 16.920 11.744 1.00 0.00 H ATOM 1204 HG3 ARG A 78 -1.733 17.628 12.624 1.00 0.00 H ATOM 1205 HD2 ARG A 78 1.112 17.529 13.643 1.00 0.00 H ATOM 1206 HD3 ARG A 78 -0.275 18.332 14.417 1.00 0.00 H ATOM 1207 HE ARG A 78 1.451 19.314 12.306 1.00 0.00 H ATOM 1208 HH12 ARG A 78 -1.810 21.495 13.331 1.00 0.00 H ATOM 1209 HH11 ARG A 78 -1.714 19.785 13.890 1.00 0.00 H ATOM 1210 HH22 ARG A 78 -0.153 22.396 12.089 1.00 0.00 H ATOM 1211 HH21 ARG A 78 1.290 21.417 11.640 1.00 0.00 H ATOM 1212 H ARG A 78 -0.728 14.106 11.626 1.00 0.00 H ATOM 1213 N LYS A 79 -0.006 12.941 14.717 1.00 15.91 N ATOM 1214 CA LYS A 79 -0.103 12.020 15.801 1.00 14.54 C ATOM 1215 C LYS A 79 0.029 10.603 15.260 1.00 13.66 C ATOM 1216 O LYS A 79 -0.345 10.327 14.124 1.00 12.78 O ATOM 1217 CB LYS A 79 -1.386 12.118 16.618 1.00 16.76 C ATOM 1218 CG LYS A 79 -1.660 13.471 17.183 1.00 21.04 C ATOM 1219 CD LYS A 79 -0.583 14.157 17.960 1.00 28.05 C ATOM 1220 CE LYS A 79 -0.934 15.634 18.206 1.00 33.72 C ATOM 1221 NZ LYS A 79 0.199 16.431 18.661 1.00 32.57 N ATOM 1222 HA LYS A 79 0.706 12.280 16.484 1.00 0.00 H ATOM 1223 HB2 LYS A 79 -2.221 11.842 15.974 1.00 0.00 H ATOM 1224 HB3 LYS A 79 -1.318 11.411 17.445 1.00 0.00 H ATOM 1225 HG2 LYS A 79 -1.917 14.122 16.347 1.00 0.00 H ATOM 1226 HG3 LYS A 79 -2.521 13.374 17.844 1.00 0.00 H ATOM 1227 HD2 LYS A 79 -0.461 13.655 18.920 1.00 0.00 H ATOM 1228 HD3 LYS A 79 0.351 14.101 17.401 1.00 0.00 H ATOM 1229 HE2 LYS A 79 -1.717 15.682 18.963 1.00 0.00 H ATOM 1230 HE3 LYS A 79 -1.305 16.061 17.274 1.00 0.00 H ATOM 1231 HZ1 LYS A 79 0.558 16.042 19.556 1.00 0.00 H ATOM 1232 HZ2 LYS A 79 0.951 16.404 17.943 1.00 0.00 H ATOM 1233 HZ3 LYS A 79 -0.107 17.414 18.807 1.00 0.00 H ATOM 1234 H LYS A 79 -0.482 12.616 13.851 1.00 0.00 H ATOM 1235 N ILE A 80 0.541 9.714 16.087 1.00 13.92 N ATOM 1236 CA ILE A 80 0.637 8.308 15.746 1.00 13.52 C ATOM 1237 C ILE A 80 -0.689 7.757 15.360 1.00 11.59 C ATOM 1238 O ILE A 80 -0.757 6.974 14.375 1.00 12.48 O ATOM 1239 CB ILE A 80 1.262 7.470 16.887 1.00 15.54 C ATOM 1240 CG1 ILE A 80 2.747 7.721 16.945 1.00 17.44 C ATOM 1241 CG2 ILE A 80 0.966 5.990 16.692 1.00 17.41 C ATOM 1242 CD1 ILE A 80 3.539 7.141 15.752 1.00 19.37 C ATOM 1243 HA ILE A 80 1.305 8.239 14.887 1.00 0.00 H ATOM 1244 HB ILE A 80 0.818 7.773 17.835 1.00 0.00 H ATOM 1245 HG12 ILE A 80 2.910 8.798 16.972 1.00 0.00 H ATOM 1246 HG13 ILE A 80 3.133 7.274 17.861 1.00 0.00 H ATOM 1247 HD11 ILE A 80 3.400 6.061 15.716 1.00 0.00 H ATOM 1248 HD12 ILE A 80 3.176 7.587 14.826 1.00 0.00 H ATOM 1249 HD13 ILE A 80 4.598 7.368 15.876 1.00 0.00 H ATOM 1250 HG21 ILE A 80 -0.113 5.834 16.690 1.00 0.00 H ATOM 1251 HG22 ILE A 80 1.384 5.659 15.741 1.00 0.00 H ATOM 1252 HG23 ILE A 80 1.415 5.421 17.506 1.00 0.00 H ATOM 1253 H ILE A 80 0.888 10.031 17.015 1.00 0.00 H ATOM 1254 N LYS A 81 -1.769 8.110 16.018 1.00 12.73 N ATOM 1255 CA LYS A 81 -3.059 7.534 15.658 1.00 13.86 C ATOM 1256 C LYS A 81 -3.438 7.906 14.222 1.00 12.28 C ATOM 1257 O LYS A 81 -4.169 7.167 13.559 1.00 13.30 O ATOM 1258 CB LYS A 81 -4.125 7.922 16.675 1.00 17.43 C ATOM 1259 CG LYS A 81 -4.406 9.412 16.670 1.00 19.20 C ATOM 1260 CD LYS A 81 -5.417 9.776 17.730 1.00 22.51 C ATOM 1261 CE LYS A 81 -5.685 11.278 17.843 1.00 25.25 C ATOM 1262 NZ LYS A 81 -6.862 11.392 18.735 1.00 32.15 N ATOM 1263 HA LYS A 81 -2.983 6.447 15.687 1.00 0.00 H ATOM 1264 HB2 LYS A 81 -5.046 7.390 16.439 1.00 0.00 H ATOM 1265 HB3 LYS A 81 -3.784 7.632 17.669 1.00 0.00 H ATOM 1266 HG2 LYS A 81 -3.478 9.951 16.862 1.00 0.00 H ATOM 1267 HG3 LYS A 81 -4.795 9.698 15.693 1.00 0.00 H ATOM 1268 HD2 LYS A 81 -6.357 9.276 17.494 1.00 0.00 H ATOM 1269 HD3 LYS A 81 -5.049 9.420 18.692 1.00 0.00 H ATOM 1270 HE2 LYS A 81 -5.904 11.703 16.863 1.00 0.00 H ATOM 1271 HE3 LYS A 81 -4.825 11.789 18.276 1.00 0.00 H ATOM 1272 HZ1 LYS A 81 -7.667 10.889 18.310 1.00 0.00 H ATOM 1273 HZ2 LYS A 81 -6.637 10.971 19.659 1.00 0.00 H ATOM 1274 HZ3 LYS A 81 -7.105 12.395 18.859 1.00 0.00 H ATOM 1275 H LYS A 81 -1.704 8.799 16.794 1.00 0.00 H ATOM 1276 N ASN A 82 -3.019 9.073 13.722 1.00 12.46 N ATOM 1277 CA ASN A 82 -3.324 9.433 12.353 1.00 11.53 C ATOM 1278 C ASN A 82 -2.521 8.624 11.343 1.00 10.57 C ATOM 1279 O ASN A 82 -3.021 8.294 10.280 1.00 10.79 O ATOM 1280 CB ASN A 82 -3.000 10.904 12.106 1.00 14.15 C ATOM 1281 CG ASN A 82 -3.796 11.803 13.007 1.00 15.31 C ATOM 1282 OD1 ASN A 82 -5.015 11.727 13.110 1.00 22.89 O ATOM 1283 ND2 ASN A 82 -3.168 12.674 13.696 1.00 19.04 N ATOM 1284 HA ASN A 82 -4.386 9.227 12.218 1.00 0.00 H ATOM 1285 HB2 ASN A 82 -1.938 11.069 12.290 1.00 0.00 H ATOM 1286 HB3 ASN A 82 -3.230 11.148 11.069 1.00 0.00 H ATOM 1287 HD22 ASN A 82 -2.134 12.751 13.619 1.00 0.00 H ATOM 1288 HD21 ASN A 82 -3.690 13.307 14.334 1.00 0.00 H ATOM 1289 H ASN A 82 -2.472 9.725 14.319 1.00 0.00 H ATOM 1290 N LEU A 83 -1.286 8.284 11.709 1.00 10.49 N ATOM 1291 CA LEU A 83 -0.474 7.354 10.886 1.00 9.93 C ATOM 1292 C LEU A 83 -1.155 5.995 10.821 1.00 9.80 C ATOM 1293 O LEU A 83 -1.285 5.425 9.773 1.00 9.58 O ATOM 1294 CB LEU A 83 0.952 7.325 11.461 1.00 10.32 C ATOM 1295 CG LEU A 83 1.981 6.454 10.747 1.00 10.64 C ATOM 1296 CD1 LEU A 83 3.378 7.026 10.977 1.00 12.62 C ATOM 1297 CD2 LEU A 83 1.929 4.995 11.167 1.00 12.41 C ATOM 1298 HA LEU A 83 -0.395 7.687 9.851 1.00 0.00 H ATOM 1299 HB2 LEU A 83 1.328 8.348 11.454 1.00 0.00 H ATOM 1300 HB3 LEU A 83 0.882 6.972 12.490 1.00 0.00 H ATOM 1301 HG LEU A 83 1.736 6.472 9.685 1.00 0.00 H ATOM 1302 HD21 LEU A 83 2.120 4.919 12.237 1.00 0.00 H ATOM 1303 HD22 LEU A 83 0.943 4.589 10.943 1.00 0.00 H ATOM 1304 HD23 LEU A 83 2.687 4.434 10.621 1.00 0.00 H ATOM 1305 HD11 LEU A 83 3.423 8.041 10.582 1.00 0.00 H ATOM 1306 HD12 LEU A 83 3.592 7.041 12.046 1.00 0.00 H ATOM 1307 HD13 LEU A 83 4.113 6.403 10.467 1.00 0.00 H ATOM 1308 H LEU A 83 -0.885 8.676 12.585 1.00 0.00 H ATOM 1309 N ILE A 84 -1.594 5.501 11.985 1.00 10.18 N ATOM 1310 CA ILE A 84 -2.270 4.226 12.019 1.00 10.02 C ATOM 1311 C ILE A 84 -3.530 4.270 11.172 1.00 10.70 C ATOM 1312 O ILE A 84 -3.739 3.374 10.371 1.00 10.66 O ATOM 1313 CB ILE A 84 -2.540 3.764 13.479 1.00 11.33 C ATOM 1314 CG1 ILE A 84 -1.242 3.481 14.225 1.00 13.02 C ATOM 1315 CG2 ILE A 84 -3.475 2.574 13.517 1.00 12.72 C ATOM 1316 CD1 ILE A 84 -1.357 3.300 15.736 1.00 15.65 C ATOM 1317 HA ILE A 84 -1.615 3.473 11.581 1.00 0.00 H ATOM 1318 HB ILE A 84 -3.037 4.585 13.995 1.00 0.00 H ATOM 1319 HG12 ILE A 84 -0.814 2.568 13.812 1.00 0.00 H ATOM 1320 HG13 ILE A 84 -0.564 4.314 14.041 1.00 0.00 H ATOM 1321 HD11 ILE A 84 -1.767 4.208 16.179 1.00 0.00 H ATOM 1322 HD12 ILE A 84 -2.017 2.459 15.951 1.00 0.00 H ATOM 1323 HD13 ILE A 84 -0.369 3.104 16.153 1.00 0.00 H ATOM 1324 HG21 ILE A 84 -4.426 2.846 13.058 1.00 0.00 H ATOM 1325 HG22 ILE A 84 -3.028 1.745 12.968 1.00 0.00 H ATOM 1326 HG23 ILE A 84 -3.642 2.278 14.553 1.00 0.00 H ATOM 1327 H ILE A 84 -1.448 6.036 12.865 1.00 0.00 H ATOM 1328 N SER A 85 -4.347 5.291 11.341 1.00 10.58 N ATOM 1329 CA SER A 85 -5.571 5.399 10.552 1.00 11.63 C ATOM 1330 C SER A 85 -5.263 5.381 9.045 1.00 11.10 C ATOM 1331 O SER A 85 -5.949 4.762 8.234 1.00 12.61 O ATOM 1332 CB SER A 85 -6.267 6.685 10.944 1.00 13.24 C ATOM 1333 OG SER A 85 -6.844 6.616 12.244 1.00 16.20 O ATOM 1334 HA SER A 85 -6.218 4.545 10.754 1.00 0.00 H ATOM 1335 HB2 SER A 85 -7.056 6.891 10.221 1.00 0.00 H ATOM 1336 HB3 SER A 85 -5.539 7.496 10.926 1.00 0.00 H ATOM 1337 HG SER A 85 -7.286 7.477 12.454 1.00 0.00 H ATOM 1338 H SER A 85 -4.118 6.025 12.041 1.00 0.00 H ATOM 1339 N ALA A 86 -4.192 6.092 8.620 1.00 10.69 N ATOM 1340 CA ALA A 86 -3.871 6.136 7.207 1.00 10.54 C ATOM 1341 C ALA A 86 -3.493 4.743 6.660 1.00 9.75 C ATOM 1342 O ALA A 86 -3.895 4.325 5.567 1.00 11.47 O ATOM 1343 CB ALA A 86 -2.720 7.099 6.937 1.00 12.30 C ATOM 1344 HA ALA A 86 -4.769 6.483 6.696 1.00 0.00 H ATOM 1345 HB1 ALA A 86 -3.002 8.100 7.263 1.00 0.00 H ATOM 1346 HB2 ALA A 86 -1.837 6.771 7.486 1.00 0.00 H ATOM 1347 HB3 ALA A 86 -2.501 7.111 5.869 1.00 0.00 H ATOM 1348 H ALA A 86 -3.601 6.605 9.305 1.00 0.00 H ATOM 1349 N PHE A 87 -2.721 3.996 7.436 1.00 9.07 N ATOM 1350 CA PHE A 87 -2.228 2.700 7.020 1.00 9.51 C ATOM 1351 C PHE A 87 -3.204 1.566 7.297 1.00 9.43 C ATOM 1352 O PHE A 87 -2.876 0.425 6.979 1.00 10.26 O ATOM 1353 CB PHE A 87 -0.809 2.427 7.552 1.00 9.34 C ATOM 1354 CG PHE A 87 0.214 3.315 6.851 1.00 9.70 C ATOM 1355 CD1 PHE A 87 0.832 4.393 7.463 1.00 11.36 C ATOM 1356 CD2 PHE A 87 0.511 3.068 5.514 1.00 10.55 C ATOM 1357 CE1 PHE A 87 1.747 5.177 6.765 1.00 12.13 C ATOM 1358 CE2 PHE A 87 1.417 3.831 4.840 1.00 11.03 C ATOM 1359 CZ PHE A 87 2.033 4.922 5.455 1.00 11.70 C ATOM 1360 HA PHE A 87 -2.147 2.736 5.934 1.00 0.00 H ATOM 1361 HB2 PHE A 87 -0.784 2.629 8.623 1.00 0.00 H ATOM 1362 HB3 PHE A 87 -0.556 1.382 7.375 1.00 0.00 H ATOM 1363 HD2 PHE A 87 0.010 2.250 4.997 1.00 0.00 H ATOM 1364 HE2 PHE A 87 1.664 3.586 3.807 1.00 0.00 H ATOM 1365 HZ PHE A 87 2.726 5.556 4.902 1.00 0.00 H ATOM 1366 HE1 PHE A 87 2.242 6.006 7.272 1.00 0.00 H ATOM 1367 HD1 PHE A 87 0.600 4.630 8.501 1.00 0.00 H ATOM 1368 H PHE A 87 -2.460 4.353 8.377 1.00 0.00 H ATOM 1369 N GLN A 88 -4.395 1.858 7.818 1.00 10.16 N ATOM 1370 CA GLN A 88 -5.543 0.936 7.812 1.00 11.01 C ATOM 1371 C GLN A 88 -6.179 0.829 6.433 1.00 11.76 C ATOM 1372 O GLN A 88 -6.953 -0.099 6.166 1.00 12.40 O ATOM 1373 CB GLN A 88 -6.642 1.412 8.764 1.00 12.13 C ATOM 1374 CG GLN A 88 -6.253 1.267 10.210 1.00 13.03 C ATOM 1375 CD GLN A 88 -7.291 1.897 11.136 1.00 13.60 C ATOM 1376 OE1 GLN A 88 -8.076 2.808 10.788 1.00 15.25 O ATOM 1377 NE2 GLN A 88 -7.264 1.457 12.311 1.00 14.84 N ATOM 1378 HA GLN A 88 -5.146 -0.030 8.123 1.00 0.00 H ATOM 1379 HB2 GLN A 88 -6.850 2.463 8.561 1.00 0.00 H ATOM 1380 HB3 GLN A 88 -7.541 0.823 8.583 1.00 0.00 H ATOM 1381 HG2 GLN A 88 -6.163 0.207 10.448 1.00 0.00 H ATOM 1382 HG3 GLN A 88 -5.292 1.757 10.369 1.00 0.00 H ATOM 1383 HE22 GLN A 88 -6.599 0.699 12.567 1.00 0.00 H ATOM 1384 HE21 GLN A 88 -7.906 1.850 13.028 1.00 0.00 H ATOM 1385 H GLN A 88 -4.521 2.793 8.255 1.00 0.00 H ATOM 1386 N LYS A 89 -5.934 1.798 5.539 1.00 12.31 N ATOM 1387 CA LYS A 89 -6.660 1.892 4.310 1.00 13.31 C ATOM 1388 C LYS A 89 -6.036 0.937 3.331 1.00 13.11 C ATOM 1389 O LYS A 89 -4.802 0.622 3.330 1.00 12.13 O ATOM 1390 CB LYS A 89 -6.692 3.293 3.733 1.00 15.32 C ATOM 1391 CG LYS A 89 -7.536 4.207 4.628 1.00 22.60 C ATOM 1392 CD LYS A 89 -7.705 5.630 4.265 1.00 27.75 C ATOM 1393 CE LYS A 89 -8.876 6.235 5.073 1.00 32.69 C ATOM 1394 NZ LYS A 89 -8.877 5.725 6.466 1.00 34.56 N ATOM 1395 HA LYS A 89 -7.700 1.634 4.509 1.00 0.00 H ATOM 1396 HB2 LYS A 89 -5.676 3.683 3.674 1.00 0.00 H ATOM 1397 HB3 LYS A 89 -7.127 3.263 2.734 1.00 0.00 H ATOM 1398 HG2 LYS A 89 -8.534 3.771 4.675 1.00 0.00 H ATOM 1399 HG3 LYS A 89 -7.084 4.184 5.620 1.00 0.00 H ATOM 1400 HD2 LYS A 89 -6.788 6.174 4.492 1.00 0.00 H ATOM 1401 HD3 LYS A 89 -7.919 5.710 3.199 1.00 0.00 H ATOM 1402 HE2 LYS A 89 -9.817 5.966 4.594 1.00 0.00 H ATOM 1403 HE3 LYS A 89 -8.775 7.320 5.090 1.00 0.00 H ATOM 1404 HZ1 LYS A 89 -8.977 4.690 6.455 1.00 0.00 H ATOM 1405 HZ2 LYS A 89 -7.982 5.983 6.929 1.00 0.00 H ATOM 1406 HZ3 LYS A 89 -9.672 6.146 6.987 1.00 0.00 H ATOM 1407 H LYS A 89 -5.196 2.501 5.745 1.00 0.00 H ATOM 1408 N PRO A 90 -6.806 0.461 2.375 1.00 14.34 N ATOM 1409 CA PRO A 90 -6.195 -0.399 1.347 1.00 14.26 C ATOM 1410 C PRO A 90 -5.147 0.317 0.518 1.00 13.33 C ATOM 1411 O PRO A 90 -5.232 1.476 0.187 1.00 13.85 O ATOM 1412 CB PRO A 90 -7.421 -0.760 0.470 1.00 15.89 C ATOM 1413 CG PRO A 90 -8.596 -0.626 1.398 1.00 17.02 C ATOM 1414 CD PRO A 90 -8.263 0.593 2.208 1.00 15.55 C ATOM 1415 HA PRO A 90 -5.664 -1.249 1.775 1.00 0.00 H ATOM 1416 HD3 PRO A 90 -8.519 1.507 1.672 1.00 0.00 H ATOM 1417 HD2 PRO A 90 -8.775 0.582 3.170 1.00 0.00 H ATOM 1418 HG3 PRO A 90 -8.692 -1.504 2.036 1.00 0.00 H ATOM 1419 HG2 PRO A 90 -9.521 -0.482 0.839 1.00 0.00 H ATOM 1420 HB2 PRO A 90 -7.512 -0.071 -0.370 1.00 0.00 H ATOM 1421 HB3 PRO A 90 -7.340 -1.780 0.094 1.00 0.00 H ATOM 1422 N ASP A 91 -4.112 -0.412 0.106 1.00 14.56 N ATOM 1423 CA ASP A 91 -3.175 -0.049 -0.944 1.00 14.89 C ATOM 1424 C ASP A 91 -2.434 1.256 -0.683 1.00 13.91 C ATOM 1425 O ASP A 91 -2.460 2.221 -1.489 1.00 15.20 O ATOM 1426 CB ASP A 91 -3.922 0.048 -2.311 1.00 18.43 C ATOM 1427 CG ASP A 91 -3.013 -0.039 -3.494 1.00 21.61 C ATOM 1428 OD1 ASP A 91 -3.566 0.196 -4.575 1.00 27.68 O ATOM 1429 OD2 ASP A 91 -1.803 -0.349 -3.395 1.00 28.31 O ATOM 1430 HA ASP A 91 -2.424 -0.838 -0.965 1.00 0.00 H ATOM 1431 HB2 ASP A 91 -4.643 -0.767 -2.369 1.00 0.00 H ATOM 1432 HB3 ASP A 91 -4.449 1.001 -2.350 1.00 0.00 H ATOM 1433 H ASP A 91 -3.960 -1.326 0.579 1.00 0.00 H ATOM 1434 N GLN A 92 -1.736 1.317 0.449 1.00 12.11 N ATOM 1435 CA GLN A 92 -1.034 2.507 0.907 1.00 11.02 C ATOM 1436 C GLN A 92 0.478 2.355 0.877 1.00 10.58 C ATOM 1437 O GLN A 92 1.202 3.215 1.358 1.00 12.54 O ATOM 1438 CB GLN A 92 -1.488 2.885 2.300 1.00 11.28 C ATOM 1439 CG GLN A 92 -2.949 3.259 2.363 1.00 11.90 C ATOM 1440 CD GLN A 92 -3.295 4.468 1.528 1.00 13.69 C ATOM 1441 OE1 GLN A 92 -2.648 5.487 1.606 1.00 15.41 O ATOM 1442 NE2 GLN A 92 -4.339 4.298 0.691 1.00 15.18 N ATOM 1443 HA GLN A 92 -1.287 3.304 0.208 1.00 0.00 H ATOM 1444 HB2 GLN A 92 -1.317 2.037 2.963 1.00 0.00 H ATOM 1445 HB3 GLN A 92 -0.897 3.735 2.640 1.00 0.00 H ATOM 1446 HG2 GLN A 92 -3.538 2.413 2.008 1.00 0.00 H ATOM 1447 HG3 GLN A 92 -3.208 3.470 3.401 1.00 0.00 H ATOM 1448 HE22 GLN A 92 -4.852 3.393 0.676 1.00 0.00 H ATOM 1449 HE21 GLN A 92 -4.631 5.072 0.060 1.00 0.00 H ATOM 1450 H GLN A 92 -1.690 0.463 1.041 1.00 0.00 H ATOM 1451 N GLY A 93 0.991 1.250 0.359 1.00 11.27 N ATOM 1452 CA GLY A 93 2.428 1.044 0.224 1.00 11.46 C ATOM 1453 C GLY A 93 3.075 0.242 1.321 1.00 11.13 C ATOM 1454 O GLY A 93 4.338 0.255 1.355 1.00 11.47 O ATOM 1455 HA3 GLY A 93 2.906 2.023 0.197 1.00 0.00 H ATOM 1456 HA2 GLY A 93 2.606 0.528 -0.719 1.00 0.00 H ATOM 1457 H GLY A 93 0.345 0.501 0.036 1.00 0.00 H ATOM 1458 N ILE A 94 2.331 -0.403 2.206 1.00 10.86 N ATOM 1459 CA ILE A 94 2.891 -1.363 3.147 1.00 10.23 C ATOM 1460 C ILE A 94 2.408 -2.732 2.731 1.00 10.13 C ATOM 1461 O ILE A 94 1.535 -2.893 1.845 1.00 11.68 O ATOM 1462 CB ILE A 94 2.630 -1.009 4.611 1.00 10.11 C ATOM 1463 CG1 ILE A 94 1.135 -1.006 4.996 1.00 9.33 C ATOM 1464 CG2 ILE A 94 3.264 0.328 4.958 1.00 11.50 C ATOM 1465 CD1 ILE A 94 0.908 -1.027 6.496 1.00 10.58 C ATOM 1466 HA ILE A 94 3.980 -1.343 3.102 1.00 0.00 H ATOM 1467 HB ILE A 94 3.094 -1.802 5.197 1.00 0.00 H ATOM 1468 HG12 ILE A 94 0.673 -0.108 4.587 1.00 0.00 H ATOM 1469 HG13 ILE A 94 0.662 -1.886 4.561 1.00 0.00 H ATOM 1470 HD11 ILE A 94 1.357 -1.926 6.918 1.00 0.00 H ATOM 1471 HD12 ILE A 94 1.367 -0.146 6.944 1.00 0.00 H ATOM 1472 HD13 ILE A 94 -0.163 -1.024 6.700 1.00 0.00 H ATOM 1473 HG21 ILE A 94 4.340 0.272 4.794 1.00 0.00 H ATOM 1474 HG22 ILE A 94 2.838 1.106 4.324 1.00 0.00 H ATOM 1475 HG23 ILE A 94 3.067 0.562 6.004 1.00 0.00 H ATOM 1476 H ILE A 94 1.308 -0.217 2.230 1.00 0.00 H ATOM 1477 N VAL A 95 2.959 -3.779 3.357 1.00 9.89 N ATOM 1478 CA VAL A 95 2.750 -5.127 2.832 1.00 10.63 C ATOM 1479 C VAL A 95 1.295 -5.536 2.883 1.00 9.98 C ATOM 1480 O VAL A 95 0.846 -6.289 2.019 1.00 12.15 O ATOM 1481 CB VAL A 95 3.711 -6.078 3.622 1.00 12.01 C ATOM 1482 CG1 VAL A 95 3.395 -6.185 5.089 1.00 13.64 C ATOM 1483 CG2 VAL A 95 3.786 -7.443 2.943 1.00 14.59 C ATOM 1484 HA VAL A 95 2.993 -5.180 1.771 1.00 0.00 H ATOM 1485 HB VAL A 95 4.700 -5.621 3.589 1.00 0.00 H ATOM 1486 HG11 VAL A 95 3.468 -5.199 5.548 1.00 0.00 H ATOM 1487 HG12 VAL A 95 2.384 -6.572 5.214 1.00 0.00 H ATOM 1488 HG13 VAL A 95 4.105 -6.862 5.564 1.00 0.00 H ATOM 1489 HG21 VAL A 95 2.791 -7.888 2.913 1.00 0.00 H ATOM 1490 HG22 VAL A 95 4.162 -7.322 1.927 1.00 0.00 H ATOM 1491 HG23 VAL A 95 4.458 -8.091 3.506 1.00 0.00 H ATOM 1492 H VAL A 95 3.533 -3.634 4.212 1.00 0.00 H ATOM 1493 N ILE A 96 0.578 -5.135 3.894 1.00 9.58 N ATOM 1494 CA ILE A 96 -0.839 -5.456 4.102 1.00 9.99 C ATOM 1495 C ILE A 96 -1.405 -4.360 4.979 1.00 9.89 C ATOM 1496 O ILE A 96 -0.652 -3.841 5.815 1.00 10.33 O ATOM 1497 CB ILE A 96 -1.031 -6.859 4.702 1.00 10.45 C ATOM 1498 CG1 ILE A 96 -2.510 -7.284 4.673 1.00 12.03 C ATOM 1499 CG2 ILE A 96 -0.429 -6.952 6.098 1.00 10.88 C ATOM 1500 CD1 ILE A 96 -2.789 -8.718 5.089 1.00 12.49 C ATOM 1501 HA ILE A 96 -1.374 -5.491 3.153 1.00 0.00 H ATOM 1502 HB ILE A 96 -0.488 -7.568 4.077 1.00 0.00 H ATOM 1503 HG12 ILE A 96 -3.061 -6.626 5.345 1.00 0.00 H ATOM 1504 HG13 ILE A 96 -2.877 -7.152 3.655 1.00 0.00 H ATOM 1505 HD11 ILE A 96 -2.261 -9.398 4.421 1.00 0.00 H ATOM 1506 HD12 ILE A 96 -2.445 -8.872 6.112 1.00 0.00 H ATOM 1507 HD13 ILE A 96 -3.860 -8.910 5.032 1.00 0.00 H ATOM 1508 HG21 ILE A 96 0.639 -6.740 6.047 1.00 0.00 H ATOM 1509 HG22 ILE A 96 -0.914 -6.226 6.751 1.00 0.00 H ATOM 1510 HG23 ILE A 96 -0.582 -7.957 6.492 1.00 0.00 H ATOM 1511 H ILE A 96 1.046 -4.542 4.609 1.00 0.00 H ATOM 1512 N PRO A 97 -2.667 -3.957 4.881 1.00 10.08 N ATOM 1513 CA PRO A 97 -3.152 -2.908 5.795 1.00 10.39 C ATOM 1514 C PRO A 97 -3.184 -3.354 7.230 1.00 10.09 C ATOM 1515 O PRO A 97 -3.348 -4.529 7.569 1.00 11.24 O ATOM 1516 CB PRO A 97 -4.570 -2.614 5.260 1.00 12.80 C ATOM 1517 CG PRO A 97 -4.460 -2.963 3.809 1.00 12.08 C ATOM 1518 CD PRO A 97 -3.621 -4.241 3.789 1.00 12.25 C ATOM 1519 HA PRO A 97 -2.500 -2.035 5.808 1.00 0.00 H ATOM 1520 HD3 PRO A 97 -4.226 -5.123 4.002 1.00 0.00 H ATOM 1521 HD2 PRO A 97 -3.112 -4.373 2.834 1.00 0.00 H ATOM 1522 HG3 PRO A 97 -3.963 -2.166 3.257 1.00 0.00 H ATOM 1523 HG2 PRO A 97 -5.446 -3.141 3.379 1.00 0.00 H ATOM 1524 HB2 PRO A 97 -5.314 -3.236 5.758 1.00 0.00 H ATOM 1525 HB3 PRO A 97 -4.829 -1.564 5.392 1.00 0.00 H ATOM 1526 N LEU A 98 -3.023 -2.352 8.115 1.00 10.44 N ATOM 1527 CA LEU A 98 -3.078 -2.539 9.561 1.00 9.71 C ATOM 1528 C LEU A 98 -4.505 -2.882 9.967 1.00 10.87 C ATOM 1529 O LEU A 98 -5.390 -2.042 9.921 1.00 15.44 O ATOM 1530 CB LEU A 98 -2.625 -1.289 10.261 1.00 9.92 C ATOM 1531 CG LEU A 98 -1.234 -0.727 9.909 1.00 9.22 C ATOM 1532 CD1 LEU A 98 -0.961 0.511 10.788 1.00 10.88 C ATOM 1533 CD2 LEU A 98 -0.154 -1.771 10.055 1.00 10.39 C ATOM 1534 HA LEU A 98 -2.414 -3.355 9.848 1.00 0.00 H ATOM 1535 HB2 LEU A 98 -3.355 -0.510 10.040 1.00 0.00 H ATOM 1536 HB3 LEU A 98 -2.630 -1.496 11.331 1.00 0.00 H ATOM 1537 HG LEU A 98 -1.222 -0.429 8.860 1.00 0.00 H ATOM 1538 HD21 LEU A 98 -0.130 -2.125 11.086 1.00 0.00 H ATOM 1539 HD22 LEU A 98 -0.365 -2.606 9.387 1.00 0.00 H ATOM 1540 HD23 LEU A 98 0.810 -1.333 9.797 1.00 0.00 H ATOM 1541 HD11 LEU A 98 -1.724 1.266 10.597 1.00 0.00 H ATOM 1542 HD12 LEU A 98 -0.988 0.222 11.839 1.00 0.00 H ATOM 1543 HD13 LEU A 98 0.021 0.917 10.547 1.00 0.00 H ATOM 1544 H LEU A 98 -2.850 -1.394 7.748 1.00 0.00 H ATOM 1545 N GLN A 99 -4.726 -4.106 10.418 1.00 9.23 N ATOM 1546 CA GLN A 99 -6.081 -4.572 10.697 1.00 10.22 C ATOM 1547 C GLN A 99 -6.296 -5.091 12.090 1.00 10.35 C ATOM 1548 O GLN A 99 -7.393 -4.871 12.652 1.00 12.01 O ATOM 1549 CB GLN A 99 -6.415 -5.709 9.737 1.00 12.45 C ATOM 1550 CG GLN A 99 -6.597 -5.193 8.306 1.00 14.29 C ATOM 1551 CD GLN A 99 -6.536 -6.357 7.362 1.00 14.79 C ATOM 1552 OE1 GLN A 99 -5.476 -6.621 6.783 1.00 19.71 O ATOM 1553 NE2 GLN A 99 -7.607 -7.066 7.207 1.00 15.81 N ATOM 1554 HA GLN A 99 -6.722 -3.698 10.576 1.00 0.00 H ATOM 1555 HB2 GLN A 99 -5.604 -6.437 9.752 1.00 0.00 H ATOM 1556 HB3 GLN A 99 -7.338 -6.189 10.062 1.00 0.00 H ATOM 1557 HG2 GLN A 99 -7.563 -4.697 8.215 1.00 0.00 H ATOM 1558 HG3 GLN A 99 -5.803 -4.485 8.067 1.00 0.00 H ATOM 1559 HE22 GLN A 99 -8.478 -6.809 7.713 1.00 0.00 H ATOM 1560 HE21 GLN A 99 -7.597 -7.893 6.576 1.00 0.00 H ATOM 1561 H GLN A 99 -3.922 -4.746 10.576 1.00 0.00 H ATOM 1562 N TYR A 100 -5.338 -5.783 12.690 1.00 9.66 N ATOM 1563 CA TYR A 100 -5.548 -6.543 13.934 1.00 10.48 C ATOM 1564 C TYR A 100 -4.558 -6.113 14.981 1.00 9.50 C ATOM 1565 O TYR A 100 -3.424 -6.610 15.024 1.00 10.34 O ATOM 1566 CB TYR A 100 -5.510 -8.061 13.668 1.00 10.15 C ATOM 1567 CG TYR A 100 -6.489 -8.435 12.573 1.00 10.44 C ATOM 1568 CD1 TYR A 100 -6.055 -8.945 11.351 1.00 10.41 C ATOM 1569 CD2 TYR A 100 -7.866 -8.262 12.764 1.00 11.69 C ATOM 1570 CE1 TYR A 100 -6.931 -9.303 10.352 1.00 10.99 C ATOM 1571 CE2 TYR A 100 -8.719 -8.611 11.741 1.00 12.88 C ATOM 1572 CZ TYR A 100 -8.274 -9.116 10.552 1.00 12.45 C ATOM 1573 OH TYR A 100 -9.179 -9.433 9.548 1.00 14.00 O ATOM 1574 HA TYR A 100 -6.543 -6.323 14.321 1.00 0.00 H ATOM 1575 HB3 TYR A 100 -5.775 -8.592 14.582 1.00 0.00 H ATOM 1576 HB2 TYR A 100 -4.504 -8.346 13.362 1.00 0.00 H ATOM 1577 HD2 TYR A 100 -8.253 -7.861 13.701 1.00 0.00 H ATOM 1578 HE2 TYR A 100 -9.791 -8.479 11.885 1.00 0.00 H ATOM 1579 HE1 TYR A 100 -6.563 -9.728 9.418 1.00 0.00 H ATOM 1580 HD1 TYR A 100 -4.985 -9.064 11.181 1.00 0.00 H ATOM 1581 HH TYR A 100 -9.681 -8.620 9.289 1.00 0.00 H ATOM 1582 H TYR A 100 -4.391 -5.790 12.261 1.00 0.00 H ATOM 1583 N PRO A 101 -4.874 -5.088 15.787 1.00 11.01 N ATOM 1584 CA PRO A 101 -3.916 -4.590 16.754 1.00 11.26 C ATOM 1585 C PRO A 101 -3.589 -5.641 17.826 1.00 11.35 C ATOM 1586 O PRO A 101 -4.512 -6.268 18.366 1.00 15.96 O ATOM 1587 CB PRO A 101 -4.655 -3.416 17.392 1.00 14.75 C ATOM 1588 CG PRO A 101 -6.017 -3.400 16.938 1.00 16.46 C ATOM 1589 CD PRO A 101 -6.133 -4.321 15.766 1.00 12.03 C ATOM 1590 HA PRO A 101 -2.963 -4.325 16.296 1.00 0.00 H ATOM 1591 HD3 PRO A 101 -6.992 -4.983 15.877 1.00 0.00 H ATOM 1592 HD2 PRO A 101 -6.228 -3.757 14.838 1.00 0.00 H ATOM 1593 HG3 PRO A 101 -6.295 -2.389 16.641 1.00 0.00 H ATOM 1594 HG2 PRO A 101 -6.676 -3.737 17.738 1.00 0.00 H ATOM 1595 HB2 PRO A 101 -4.635 -3.521 18.477 1.00 0.00 H ATOM 1596 HB3 PRO A 101 -4.167 -2.483 17.109 1.00 0.00 H ATOM 1597 N VAL A 102 -2.351 -5.788 18.140 1.00 11.34 N ATOM 1598 CA VAL A 102 -1.899 -6.638 19.245 1.00 12.03 C ATOM 1599 C VAL A 102 -1.641 -5.706 20.418 1.00 13.46 C ATOM 1600 O VAL A 102 -0.677 -4.949 20.433 1.00 13.04 O ATOM 1601 CB VAL A 102 -0.683 -7.466 18.846 1.00 13.75 C ATOM 1602 CG1 VAL A 102 -0.151 -8.289 20.007 1.00 17.07 C ATOM 1603 CG2 VAL A 102 -1.098 -8.376 17.705 1.00 15.17 C ATOM 1604 HA VAL A 102 -2.649 -7.378 19.523 1.00 0.00 H ATOM 1605 HB VAL A 102 0.122 -6.798 18.540 1.00 0.00 H ATOM 1606 HG11 VAL A 102 0.141 -7.623 20.819 1.00 0.00 H ATOM 1607 HG12 VAL A 102 -0.928 -8.969 20.355 1.00 0.00 H ATOM 1608 HG13 VAL A 102 0.715 -8.863 19.677 1.00 0.00 H ATOM 1609 HG21 VAL A 102 -1.908 -9.026 18.037 1.00 0.00 H ATOM 1610 HG22 VAL A 102 -1.437 -7.771 16.864 1.00 0.00 H ATOM 1611 HG23 VAL A 102 -0.246 -8.982 17.397 1.00 0.00 H ATOM 1612 H VAL A 102 -1.635 -5.279 17.583 1.00 0.00 H ATOM 1613 N GLU A 103 -2.604 -5.691 21.339 1.00 16.30 N ATOM 1614 CA GLU A 103 -2.595 -4.740 22.445 1.00 18.46 C ATOM 1615 C GLU A 103 -1.692 -5.262 23.553 1.00 19.08 C ATOM 1616 O GLU A 103 -1.680 -6.439 23.864 1.00 21.63 O ATOM 1617 CB GLU A 103 -4.011 -4.489 23.011 1.00 21.85 C ATOM 1618 CG GLU A 103 -5.013 -4.002 21.944 1.00 30.19 C ATOM 1619 CD GLU A 103 -6.475 -4.085 22.323 1.00 34.91 C ATOM 1620 OE1 GLU A 103 -7.140 -3.025 22.417 1.00 46.02 O ATOM 1621 OE2 GLU A 103 -7.037 -5.185 22.521 1.00 38.54 O ATOM 1622 HA GLU A 103 -2.220 -3.791 22.062 1.00 0.00 H ATOM 1623 HB2 GLU A 103 -4.384 -5.420 23.438 1.00 0.00 H ATOM 1624 HB3 GLU A 103 -3.943 -3.733 23.794 1.00 0.00 H ATOM 1625 HG2 GLU A 103 -4.784 -2.960 21.722 1.00 0.00 H ATOM 1626 HG3 GLU A 103 -4.866 -4.604 21.048 1.00 0.00 H ATOM 1627 H GLU A 103 -3.383 -6.376 21.267 1.00 0.00 H ATOM 1628 N LYS A 104 -0.923 -4.334 24.110 1.00 18.13 N ATOM 1629 CA LYS A 104 -0.146 -4.613 25.297 1.00 22.26 C ATOM 1630 C LYS A 104 -1.043 -5.065 26.438 1.00 23.95 C ATOM 1631 O LYS A 104 -2.121 -4.418 26.620 1.00 25.27 O ATOM 1632 CB LYS A 104 0.667 -3.371 25.666 1.00 24.07 C ATOM 1633 CG LYS A 104 -0.118 -2.186 26.221 1.00 28.93 C ATOM 1634 CD LYS A 104 0.890 -1.218 26.851 1.00 29.61 C ATOM 1635 CE LYS A 104 0.809 0.146 26.161 1.00 29.14 C ATOM 1636 NZ LYS A 104 1.988 0.923 26.662 1.00 33.17 N ATOM 1637 HA LYS A 104 0.544 -5.433 25.099 1.00 0.00 H ATOM 1638 OXT LYS A 104 -0.726 -6.025 27.180 1.00 26.53 O ATOM 1639 HB2 LYS A 104 1.399 -3.665 26.418 1.00 0.00 H ATOM 1640 HB3 LYS A 104 1.185 -3.035 24.768 1.00 0.00 H ATOM 1641 HG2 LYS A 104 -0.659 -1.688 25.416 1.00 0.00 H ATOM 1642 HG3 LYS A 104 -0.826 -2.529 26.975 1.00 0.00 H ATOM 1643 HD2 LYS A 104 0.664 -1.101 27.911 1.00 0.00 H ATOM 1644 HD3 LYS A 104 1.897 -1.621 26.738 1.00 0.00 H ATOM 1645 HE2 LYS A 104 -0.120 0.651 26.425 1.00 0.00 H ATOM 1646 HE3 LYS A 104 0.863 0.029 25.079 1.00 0.00 H ATOM 1647 HZ1 LYS A 104 1.926 1.017 27.696 1.00 0.00 H ATOM 1648 HZ2 LYS A 104 2.864 0.422 26.410 1.00 0.00 H ATOM 1649 HZ3 LYS A 104 1.990 1.867 26.226 1.00 0.00 H ATOM 1650 H LYS A 104 -0.879 -3.386 23.684 1.00 0.00 H TER 1651 LYS A 104 HETATM 1652 O HOH 1 9.343 -7.184 16.551 1.00 9.95 O HETATM 1653 O HOH 2 15.344 -0.347 14.160 1.00 10.80 O HETATM 1654 O HOH 3 -0.828 -0.789 2.187 1.00 11.97 O HETATM 1655 O HOH 4 -2.264 0.220 4.292 1.00 10.88 O HETATM 1656 O HOH 5 4.852 8.006 6.703 1.00 12.08 O HETATM 1657 O HOH 6 5.521 7.970 3.962 1.00 11.90 O HETATM 1658 O HOH 7 -5.989 -1.055 12.757 1.00 15.87 O HETATM 1659 O HOH 8 -8.395 -2.229 12.665 1.00 14.63 O HETATM 1660 O HOH 9 12.892 -2.311 21.770 1.00 17.04 O HETATM 1661 O HOH 10 -8.102 -2.085 7.643 1.00 17.89 O HETATM 1662 O HOH 11 4.326 -17.005 19.294 1.00 16.10 O HETATM 1663 O HOH 12 14.767 -2.591 16.308 1.00 18.42 O HETATM 1664 O HOH 13 -1.538 9.097 19.020 1.00 18.76 O HETATM 1665 O HOH 14 -2.276 13.948 10.091 1.00 19.68 O HETATM 1666 O HOH 15 11.497 6.772 10.323 1.00 16.23 O HETATM 1667 O HOH 16 6.540 -2.128 2.133 1.00 15.28 O HETATM 1668 O HOH 17 22.250 0.876 16.767 1.00 19.96 O HETATM 1669 O HOH 18 14.269 4.553 22.365 1.00 14.79 O HETATM 1670 O HOH 19 4.917 -14.743 0.949 1.00 21.60 O HETATM 1671 O HOH 20 10.895 9.157 8.929 1.00 18.77 O HETATM 1672 O HOH 21 13.728 -14.131 14.037 1.00 20.25 O HETATM 1673 O HOH 22 -0.549 -12.031 20.629 1.00 18.31 O HETATM 1674 O HOH 23 11.825 4.548 21.258 1.00 13.23 O HETATM 1675 O HOH 24 5.355 -4.977 27.004 1.00 20.30 O HETATM 1676 O HOH 25 12.673 -12.365 22.917 1.00 17.09 O HETATM 1677 O HOH 26 12.198 8.154 4.820 1.00 19.11 O HETATM 1678 O HOH 27 1.357 -14.958 8.806 1.00 19.47 O HETATM 1679 O HOH 28 17.176 -8.551 19.934 1.00 21.58 O HETATM 1680 O HOH 29 11.669 9.986 16.818 1.00 20.92 O HETATM 1681 O HOH 30 15.988 0.017 5.696 1.00 19.24 O HETATM 1682 O HOH 31 -4.412 6.623 3.918 1.00 19.52 O HETATM 1683 O HOH 32 17.288 -7.371 16.457 1.00 25.34 O HETATM 1684 O HOH 33 -10.365 -7.145 7.711 1.00 21.36 O HETATM 1685 O HOH 34 5.218 9.291 -4.842 1.00 19.28 O HETATM 1686 O HOH 35 -4.893 9.728 8.958 1.00 22.63 O HETATM 1687 O HOH 36 -5.744 -10.686 6.970 1.00 32.96 O HETATM 1688 O HOH 37 0.278 -1.075 -1.330 1.00 21.86 O HETATM 1689 O HOH 38 -9.665 -5.567 22.379 1.00 22.03 O HETATM 1690 O HOH 39 10.981 9.177 -0.158 1.00 25.77 O HETATM 1691 O HOH 40 4.621 -2.990 0.350 1.00 24.32 O HETATM 1692 O HOH 41 11.346 -14.855 17.406 1.00 25.59 O HETATM 1693 O HOH 42 6.279 -12.740 4.027 1.00 19.21 O HETATM 1694 O HOH 43 -8.482 -4.081 5.616 1.00 22.50 O HETATM 1695 O HOH 44 1.602 -17.820 13.276 1.00 27.14 O HETATM 1696 O HOH 45 7.589 5.798 24.242 1.00 17.52 O HETATM 1697 O HOH 46 2.083 -7.067 -0.209 1.00 21.28 O HETATM 1698 O HOH 47 15.189 -11.546 22.538 1.00 21.64 O HETATM 1699 O HOH 48 1.049 10.593 18.798 1.00 22.05 O HETATM 1700 O HOH 49 3.981 -6.892 25.829 1.00 24.49 O HETATM 1701 O HOH 50 7.001 -14.815 2.489 1.00 25.93 O HETATM 1702 O HOH 51 3.080 -1.470 -1.910 1.00 28.74 O HETATM 1703 O HOH 52 12.315 9.593 2.193 1.00 27.99 O HETATM 1704 O HOH 53 -4.065 3.611 -3.158 1.00 24.82 O HETATM 1705 O HOH 54 -7.591 2.836 -0.513 1.00 24.64 O HETATM 1706 O HOH 55 -9.328 3.872 8.404 1.00 25.02 O HETATM 1707 O HOH 56 6.990 -17.700 10.610 1.00 24.10 O HETATM 1708 O HOH 57 8.171 10.581 -7.402 1.00 25.12 O HETATM 1709 O HOH 58 8.757 13.193 -0.323 1.00 31.21 O HETATM 1710 O HOH 59 16.808 9.993 17.751 1.00 24.49 O HETATM 1711 O HOH 60 -6.635 10.525 11.024 1.00 26.11 O HETATM 1712 O HOH 61 -4.228 -3.313 0.295 1.00 29.02 O HETATM 1713 O HOH 62 -1.073 11.871 3.908 1.00 27.36 O HETATM 1714 O HOH 63 -5.730 10.427 21.341 1.00 27.99 O HETATM 1715 O HOH 64 -9.363 4.942 12.351 1.00 26.97 O HETATM 1716 O HOH 65 14.975 -5.046 24.666 1.00 27.66 O HETATM 1717 O HOH 66 15.949 2.792 21.174 1.00 26.12 O HETATM 1718 O HOH 67 1.943 17.217 15.453 1.00 31.90 O HETATM 1719 O HOH 68 8.412 -3.328 0.693 1.00 30.84 O HETATM 1720 O HOH 69 16.993 2.655 25.934 1.00 36.95 O HETATM 1721 O HOH 70 10.412 6.194 -6.780 1.00 42.32 O HETATM 1722 O HOH 71 -1.950 -16.198 5.524 1.00 29.82 O HETATM 1723 O HOH 72 -6.602 8.250 7.215 1.00 24.87 O HETATM 1724 O HOH 73 13.899 5.855 9.304 1.00 35.55 O HETATM 1725 O HOH 74 10.636 14.748 3.359 1.00 38.84 O HETATM 1726 O HOH 75 2.748 14.624 18.155 1.00 31.64 O HETATM 1727 O HOH 76 15.876 2.626 13.900 1.00 30.50 O HETATM 1728 O HOH 77 6.096 -18.581 17.345 1.00 31.99 O HETATM 1729 O HOH 78 14.966 8.701 12.733 1.00 33.68 O HETATM 1730 O HOH 79 2.415 14.654 4.647 1.00 28.36 O HETATM 1731 O HOH 80 6.452 -18.171 6.383 1.00 34.62 O HETATM 1732 O HOH 81 -7.395 12.811 15.008 1.00 33.44 O HETATM 1733 O HOH 82 -2.837 1.451 19.312 1.00 24.57 O HETATM 1734 O HOH 83 -3.125 -4.165 29.106 1.00 34.38 O HETATM 1735 O HOH 84 -3.391 6.627 20.008 1.00 29.47 O HETATM 1736 O HOH 85 -6.827 3.942 -2.794 1.00 29.49 O HETATM 1737 O HOH 86 14.577 6.294 3.248 1.00 38.84 O HETATM 1738 O HOH 87 4.568 -18.823 10.551 1.00 28.46 O HETATM 1739 O HOH 88 6.761 15.030 1.719 1.00 33.77 O HETATM 1740 O HOH 89 4.714 -9.505 26.424 1.00 34.59 O HETATM 1741 O HOH 90 -2.816 -13.062 4.029 1.00 29.32 O HETATM 1742 O HOH 91 8.201 -3.978 -1.763 1.00 45.66 O HETATM 1743 O HOH 92 -1.508 -3.377 1.337 1.00 25.85 O HETATM 1744 O HOH 93 -6.165 8.332 4.965 1.00 34.52 O HETATM 1745 O HOH 94 3.181 18.536 13.964 1.00 37.17 O HETATM 1746 O HOH 95 5.851 17.801 9.090 1.00 42.93 O HETATM 1747 O HOH 96 -4.828 3.309 21.824 1.00 35.85 O HETATM 1748 O HOH 97 -6.868 9.048 13.271 1.00 26.71 O HETATM 1749 O HOH 98 -1.843 -18.270 19.706 1.00 30.67 O HETATM 1750 O HOH 99 9.215 -11.000 1.290 1.00 36.11 O HETATM 1751 O HOH 100 2.357 8.809 21.018 1.00 50.41 O HETATM 1752 O HOH 101 0.780 2.915 25.786 1.00 34.73 O HETATM 1753 O HOH 102 22.330 4.213 18.744 1.00 35.39 O HETATM 1754 O HOH 103 9.494 -19.511 9.529 1.00 44.94 O HETATM 1755 O HOH 104 -4.835 15.733 14.635 1.00 57.97 O HETATM 1756 O HOH 105 -4.662 -7.629 21.341 1.00 39.45 O HETATM 1757 O HOH 106 -7.530 -8.401 4.304 1.00 43.63 O HETATM 1758 O HOH 107 -0.660 13.366 5.792 1.00 37.39 O HETATM 1759 O HOH 108 2.060 5.158 30.069 1.00 38.50 O HETATM 1760 O HOH 109 7.753 23.807 13.488 1.00 33.18 O HETATM 1761 O HOH 110 1.009 16.029 0.002 1.00 48.31 O HETATM 1762 O HOH 111 -11.648 7.789 6.407 1.00 36.00 O HETATM 1763 O HOH 112 9.498 11.773 10.865 1.00 30.09 O HETATM 1764 O HOH 113 10.404 12.741 -5.190 1.00 36.81 O HETATM 1765 O HOH 114 12.145 12.406 10.072 1.00 42.17 O HETATM 1766 O HOH 115 11.059 -19.779 16.640 1.00 32.61 O HETATM 1767 O HOH 116 8.118 -19.131 4.351 1.00 43.52 O HETATM 1768 O HOH 117 7.064 14.655 -2.564 1.00 33.31 O HETATM 1769 O HOH 118 17.500 10.207 15.004 1.00 35.18 O HETATM 1770 O HOH 119 3.526 -20.027 13.042 1.00 44.98 O HETATM 1771 O HOH 120 -2.304 2.422 26.212 1.00 37.05 O HETATM 1772 O HOH 121 -7.543 -8.259 22.350 1.00 43.20 O HETATM 1773 O HOH 122 12.997 10.631 8.904 1.00 38.34 O HETATM 1774 O HOH 123 -4.211 -9.910 19.160 1.00 31.69 O HETATM 1775 O HOH 124 12.042 13.729 8.123 1.00 36.52 O HETATM 1776 O HOH 125 13.971 22.283 16.985 1.00 37.21 O HETATM 1777 O HOH 126 -6.613 12.888 20.699 1.00 38.30 O HETATM 1778 O HOH 127 -0.991 19.357 18.677 1.00 39.06 O HETATM 1779 O HOH 128 15.053 -1.301 22.311 1.00 40.84 O HETATM 1780 O HOH 129 6.167 -9.439 0.481 1.00 38.25 O HETATM 1781 O HOH 130 -3.095 -8.741 23.521 1.00 45.86 O HETATM 1782 O HOH 131 -1.152 -17.943 15.581 1.00 40.01 O HETATM 1783 O HOH 132 3.711 -0.909 26.801 1.00 40.97 O HETATM 1784 O HOH 133 1.136 -7.627 27.080 1.00 38.27 O HETATM 1785 O HOH 134 12.970 10.316 -2.047 1.00 38.95 O HETATM 1786 O HOH 135 7.254 17.380 -1.935 1.00 39.05 O HETATM 1787 O HOH 136 18.790 1.657 24.848 1.00 46.52 O HETATM 1788 O HOH 137 10.041 18.011 0.867 1.00 49.60 O HETATM 1789 O HOH 138 1.853 16.917 9.931 1.00 46.73 O HETATM 1790 O HOH 139 12.380 3.756 -4.801 1.00 45.30 O HETATM 1791 O HOH 140 0.277 -3.524 -0.094 1.00 37.82 O HETATM 1792 O HOH 141 4.545 -11.050 -0.674 1.00 43.87 O HETATM 1793 O HOH 142 5.323 22.471 14.889 1.00 32.34 O HETATM 1794 O HOH 143 10.762 -9.325 1.046 1.00 45.97 O HETATM 1795 O HOH 144 -0.464 9.291 21.372 1.00 46.08 O HETATM 1796 O HOH 145 -0.057 16.418 8.777 1.00 43.11 O HETATM 1797 O HOH 146 18.705 -12.433 20.697 1.00 42.63 O HETATM 1798 O HOH 147 9.133 14.944 1.635 1.00 43.12 O HETATM 1799 O HOH 148 -3.494 19.093 18.867 1.00 37.37 O HETATM 1800 O HOH 149 11.251 22.741 11.541 1.00 42.69 O HETATM 1801 O HOH 150 16.714 2.946 23.335 1.00 43.66 O HETATM 1802 O HOH 151 0.844 -5.373 -1.789 1.00 44.02 O HETATM 1803 O HOH 152 4.586 5.545 26.746 1.00 47.54 O HETATM 1804 O HOH 153 7.179 -7.082 -0.053 1.00 50.58 O HETATM 1805 O HOH 154 -3.630 10.508 5.541 1.00 43.31 O HETATM 1806 O HOH 155 12.493 12.299 17.588 1.00 44.44 O HETATM 1807 O HOH 156 19.449 -7.752 17.116 1.00 48.71 O HETATM 1808 O HOH 157 13.797 2.997 23.966 1.00 56.16 O HETATM 1809 O HOH 158 13.305 12.260 6.075 1.00 55.44 O HETATM 1810 O HOH 159 1.009 -8.822 -1.221 1.00 53.02 O HETATM 1811 O HOH 160 -4.252 11.670 7.424 1.00 46.09 O HETATM 1812 O HOH 161 18.456 2.667 21.509 1.00 42.36 O HETATM 1813 O HOH 162 6.343 -21.564 4.707 1.00 46.67 O HETATM 1814 O HOH 163 -5.083 15.414 10.691 1.00 49.66 O HETATM 1815 O HOH 164 16.680 6.798 1.819 1.00 45.93 O HETATM 1816 O HOH 165 3.208 3.108 27.397 1.00 48.69 O HETATM 1817 O HOH 166 16.479 -9.687 23.895 1.00 56.92 O HETATM 1818 O HOH 167 0.865 14.256 1.639 1.00 43.43 O HETATM 1819 O HOH 168 8.860 -13.526 0.537 1.00 32.71 O HETATM 1820 O HOH 169 -4.655 -10.428 16.113 1.00 34.16 O HETATM 1821 O HOH 170 0.992 3.849 28.275 1.00 56.25 O HETATM 1822 O HOH 171 14.362 11.405 11.339 1.00 50.10 O HETATM 1823 O HOH 172 10.592 -19.220 4.286 1.00 60.68 O HETATM 1824 O HOH 173 -4.056 2.023 -6.442 1.00 61.49 O HETATM 1825 O HOH 174 -6.859 -9.881 19.011 1.00 45.23 O HETATM 1826 O HOH 175 5.580 18.592 6.008 1.00 63.49 O HETATM 1827 O HOH 176 0.051 -2.119 -5.778 1.00 53.54 O HETATM 1828 O HOH 177 9.968 23.284 13.771 1.00 43.12 O HETATM 1829 O HOH 178 10.345 -21.217 7.004 1.00 64.29 O HETATM 1830 O HOH 179 15.093 10.147 14.873 1.00 52.33 O HETATM 1831 O HOH 180 13.666 12.614 3.637 1.00 68.27 O HETATM 1832 O HOH 181 4.536 -5.346 -0.515 1.00 44.55 O HETATM 1833 O HOH 182 16.727 -1.806 28.571 1.00 53.41 O HETATM 1834 O HOH 183 0.534 24.151 9.688 1.00 41.93 O HETATM 1835 O HOH 184 5.924 -7.056 28.825 1.00 70.78 O HETATM 1836 O HOH 185 6.012 -13.792 -1.824 1.00 66.16 O HETATM 1837 O HOH 186 6.939 -21.579 7.786 1.00 63.50 O HETATM 1838 O HOH 187 12.946 17.305 12.389 1.00 49.42 O HETATM 1839 O HOH 188 17.094 -3.394 26.378 1.00 54.08 O HETATM 1840 O HOH 189 2.212 -16.730 10.718 1.00 47.41 O HETATM 1841 O HOH 190 3.040 17.879 7.274 1.00 49.62 O HETATM 1842 O HOH 191 6.854 -4.077 -3.601 1.00 58.27 O HETATM 1843 O HOH 192 7.733 -10.192 -1.485 1.00 75.08 O HETATM 1844 O HOH 193 0.474 -1.195 30.565 1.00 76.57 O HETATM 1845 O HOH 194 1.428 16.218 6.219 1.00 51.59 O HETATM 1846 O HOH 195 18.487 -0.097 22.662 1.00 69.62 O HETATM 1847 O HOH 196 -2.619 17.583 8.064 1.00 86.53 O HETATM 1848 O HOH 197 3.424 14.294 2.614 1.00 58.41 O HETATM 1849 O HOH 198 8.223 18.519 5.625 1.00 60.76 O HETATM 1850 O HOH 199 13.074 16.564 4.409 1.00 61.76 O HETATM 1851 O HOH 200 2.847 -2.926 28.244 1.00 56.32 O HETATM 1852 O HOH 201 10.420 -6.688 14.024 1.00 9.68 O HETATM 1853 O HOH 202 11.988 0.633 8.222 1.00 13.07 O HETATM 1854 O HOH 203 2.372 9.250 -0.686 1.00 16.64 O HETATM 1855 O HOH 204 4.293 7.768 1.591 1.00 13.87 O HETATM 1856 O HOH 205 10.821 -2.336 1.513 1.00 18.45 O HETATM 1857 O HOH 206 16.613 4.239 1.246 1.00 20.31 O HETATM 1858 O HOH 207 12.367 0.200 -0.784 1.00 31.71 O HETATM 1859 O HOH 208 21.678 -14.588 8.263 1.00 25.06 O HETATM 1860 O HOH 209 15.675 1.505 -0.919 1.00 23.53 O HETATM 1861 O HOH 210 16.477 -5.417 14.528 1.00 22.60 O HETATM 1862 O HOH 211 4.955 4.692 -5.531 1.00 22.95 O HETATM 1863 O HOH 212 19.999 -14.675 6.228 1.00 26.49 O HETATM 1864 O HOH 213 15.347 -5.737 5.126 1.00 27.86 O HETATM 1865 O HOH 214 17.539 -13.857 7.638 1.00 32.24 O HETATM 1866 O HOH 215 14.737 -1.865 4.087 1.00 28.98 O HETATM 1867 O HOH 216 14.646 -11.414 7.612 1.00 25.55 O HETATM 1868 O HOH 217 12.303 -4.745 2.661 1.00 25.41 O HETATM 1869 O HOH 218 -2.388 3.502 -5.991 1.00 37.49 O HETATM 1870 O HOH 219 15.995 -1.036 -2.346 1.00 39.40 O HETATM 1871 O HOH 220 13.590 -17.021 14.029 1.00 32.89 O HETATM 1872 O HOH 221 9.606 -5.799 1.943 1.00 36.06 O HETATM 1873 O HOH 222 20.085 -18.262 12.996 1.00 37.33 O HETATM 1874 O HOH 223 14.112 -2.402 1.691 1.00 50.84 O HETATM 1875 O HOH 224 19.744 -21.082 8.684 1.00 48.62 O HETATM 1876 O HOH 225 18.946 -17.305 6.757 1.00 56.04 O HETATM 1877 O HOH 226 8.397 2.257 -4.672 1.00 46.20 O HETATM 1878 O HOH 227 16.663 -17.941 6.415 1.00 49.56 O HETATM 1879 O HOH 228 7.267 -1.680 -4.633 1.00 48.95 O HETATM 1880 O HOH 229 10.649 1.836 -4.580 1.00 58.85 O HETATM 1881 O HOH 230 13.265 0.862 -3.764 1.00 54.22 O HETATM 1882 O HOH 231 0.345 4.886 -7.115 1.00 53.85 O HETATM 1883 O HOH 232 13.749 -6.215 1.474 1.00 54.71 O HETATM 1884 O HOH 233 2.858 0.859 -6.365 1.00 39.64 O HETATM 1885 O HOH 234 16.400 -19.772 12.138 1.00 55.65 O HETATM 1886 O HOH 235 19.911 -24.083 8.149 1.00 72.10 O HETATM 1887 O HOH 236 15.155 -7.594 3.057 1.00 65.27 O HETATM 1888 N LYS A 237 17.305 -16.248 8.312 1.00 0.24 N HETATM 1889 CA LYS A 237 16.909 -16.870 9.574 1.00 0.07 C HETATM 1890 C LYS A 237 16.382 -15.831 10.579 1.00 0.23 C HETATM 1891 O LYS A 237 16.068 -16.177 11.713 1.00 -0.39 O HETATM 1892 N LYS A 237 16.260 -14.575 10.244 1.00 -0.26 N HETATM 1893 CA LYS A 237 15.395 -13.654 10.977 1.00 0.15 C HETATM 1894 C LYS A 237 13.999 -13.675 10.344 1.00 0.21 C HETATM 1895 O LYS A 237 13.830 -13.739 9.141 1.00 -0.39 O HETATM 1896 N LYS A 237 13.003 -13.579 11.217 1.00 -0.26 N HETATM 1897 CA LYS A 237 11.645 -13.391 10.746 1.00 0.13 C HETATM 1898 C LYS A 237 11.240 -11.932 10.544 1.00 0.20 C HETATM 1899 O LYS A 237 10.118 -11.639 10.140 1.00 -0.39 O HETATM 1900 N LYS A 237 12.124 -11.019 10.844 1.00 -0.26 N HETATM 1901 CA LYS A 237 11.888 -9.580 10.658 1.00 0.16 C HETATM 1902 C LYS A 237 12.501 -9.102 9.356 1.00 0.21 C HETATM 1903 O LYS A 237 13.671 -9.407 9.078 1.00 -0.39 O HETATM 1904 N LYS A 237 11.699 -8.402 8.572 1.00 -0.26 N HETATM 1905 CA LYS A 237 12.101 -7.808 7.306 1.00 0.13 C HETATM 1906 C LYS A 237 11.929 -6.297 7.452 1.00 0.20 C HETATM 1907 O LYS A 237 10.802 -5.815 7.480 1.00 -0.39 O HETATM 1908 N LYS A 237 13.017 -5.563 7.612 1.00 -0.26 N HETATM 1909 CA LYS A 237 12.918 -4.104 7.622 1.00 0.14 C HETATM 1910 C LYS A 237 12.476 -3.631 6.240 1.00 0.21 C HETATM 1911 O LYS A 237 13.016 -4.065 5.216 1.00 -0.39 O HETATM 1912 N LYS A 237 11.500 -2.767 6.208 1.00 -0.26 N HETATM 1913 CA LYS A 237 10.815 -2.397 4.984 1.00 0.13 C HETATM 1914 C LYS A 237 10.577 -0.889 4.965 1.00 0.20 C HETATM 1915 O LYS A 237 10.663 -0.156 5.937 1.00 -0.39 O HETATM 1916 N LYS A 237 10.269 -0.425 3.742 1.00 -0.26 N HETATM 1917 CA LYS A 237 10.010 0.967 3.478 1.00 0.13 C HETATM 1918 C LYS A 237 8.639 1.094 2.828 1.00 0.20 C HETATM 1919 O LYS A 237 8.216 0.252 2.070 1.00 -0.39 O HETATM 1920 N LYS A 237 7.978 2.214 3.123 1.00 -0.26 N HETATM 1921 CA LYS A 237 6.697 2.542 2.500 1.00 0.13 C HETATM 1922 C LYS A 237 6.935 2.799 1.006 1.00 0.20 C HETATM 1923 O LYS A 237 7.829 3.557 0.649 1.00 -0.39 O HETATM 1924 N LYS A 237 6.123 2.178 0.168 1.00 -0.26 N HETATM 1925 CA LYS A 237 6.353 2.131 -1.263 1.00 0.13 C HETATM 1926 C LYS A 237 5.495 3.068 -2.067 1.00 0.20 C HETATM 1927 O LYS A 237 5.747 3.166 -3.297 1.00 -0.39 O HETATM 1928 N LYS A 237 4.495 3.731 -1.499 1.00 -0.27 N HETATM 1929 CA LYS A 237 3.568 4.640 -2.137 1.00 0.09 C HETATM 1930 C LYS A 237 3.273 5.840 -1.247 1.00 0.06 C HETATM 1931 O LYS A 237 3.623 5.771 -0.063 1.00 -0.57 O HETATM 1932 OXT LYS A 237 2.660 6.795 -1.771 1.00 -0.57 O HETATM 1933 CB LYS A 237 2.200 3.947 -2.474 1.00 -0.02 C HETATM 1934 CG LYS A 237 2.294 2.613 -3.137 1.00 -0.04 C HETATM 1935 CD LYS A 237 0.993 1.933 -3.408 1.00 -0.01 C HETATM 1936 CE LYS A 237 -0.084 2.785 -3.976 1.00 -0.04 C HETATM 1937 NZ LYS A 237 0.178 3.081 -5.393 1.00 0.22 N HETATM 1938 H99 LYS A 237 -0.563 3.659 -5.758 1.00 0.20 H HETATM 1939 H100 LYS A 237 0.220 2.219 -5.914 1.00 0.20 H HETATM 1940 H101 LYS A 237 1.056 3.568 -5.478 1.00 0.20 H HETATM 1941 H97 LYS A 237 -0.132 3.729 -3.413 1.00 0.08 H HETATM 1942 H98 LYS A 237 -1.045 2.257 -3.889 1.00 0.08 H HETATM 1943 H95 LYS A 237 0.627 1.517 -2.458 1.00 0.03 H HETATM 1944 H96 LYS A 237 1.183 1.114 -4.117 1.00 0.03 H HETATM 1945 H93 LYS A 237 2.891 1.955 -2.489 1.00 0.03 H HETATM 1946 H94 LYS A 237 2.811 2.749 -4.098 1.00 0.03 H HETATM 1947 H91 LYS A 237 1.638 4.617 -3.141 1.00 0.03 H HETATM 1948 H92 LYS A 237 1.646 3.818 -1.532 1.00 0.03 H HETATM 1949 H90 LYS A 237 4.026 4.993 -3.073 1.00 0.07 H HETATM 1950 H89 LYS A 237 4.368 3.585 -0.518 1.00 0.19 H HETATM 1951 CB LYS A 237 6.103 0.687 -1.755 1.00 0.00 C HETATM 1952 CG LYS A 237 7.074 -0.321 -1.155 1.00 0.04 C HETATM 1953 CD LYS A 237 8.503 -0.064 -1.603 1.00 0.17 C HETATM 1954 OE1 LYS A 237 8.735 0.137 -2.808 1.00 -0.40 O HETATM 1955 NE2 LYS A 237 9.404 -0.080 -0.642 1.00 -0.30 N HETATM 1956 H87 LYS A 237 10.367 0.081 -0.857 1.00 0.18 H HETATM 1957 H88 LYS A 237 9.125 -0.253 0.302 1.00 0.18 H HETATM 1958 H85 LYS A 237 6.778 -1.332 -1.471 1.00 0.05 H HETATM 1959 H86 LYS A 237 7.027 -0.251 -0.058 1.00 0.05 H HETATM 1960 H83 LYS A 237 6.208 0.666 -2.850 1.00 0.03 H HETATM 1961 H84 LYS A 237 5.079 0.395 -1.479 1.00 0.03 H HETATM 1962 H82 LYS A 237 7.405 2.396 -1.445 1.00 0.08 H HETATM 1963 H81 LYS A 237 5.314 1.720 0.537 1.00 0.19 H HETATM 1964 CB LYS A 237 6.033 3.748 3.215 1.00 -0.01 C HETATM 1965 CG1 LYS A 237 4.753 4.137 2.530 1.00 -0.06 C HETATM 1966 H75 LYS A 237 4.302 4.992 3.054 1.00 0.02 H HETATM 1967 H76 LYS A 237 4.055 3.287 2.547 1.00 0.02 H HETATM 1968 H77 LYS A 237 4.965 4.416 1.488 1.00 0.02 H HETATM 1969 CG2 LYS A 237 5.740 3.468 4.694 1.00 -0.06 C HETATM 1970 H78 LYS A 237 6.671 3.182 5.205 1.00 0.02 H HETATM 1971 H79 LYS A 237 5.011 2.648 4.775 1.00 0.02 H HETATM 1972 H80 LYS A 237 5.327 4.373 5.164 1.00 0.02 H HETATM 1973 H74 LYS A 237 6.731 4.597 3.159 1.00 0.03 H HETATM 1974 H73 LYS A 237 6.024 1.678 2.600 1.00 0.08 H HETATM 1975 H72 LYS A 237 8.370 2.848 3.790 1.00 0.19 H HETATM 1976 CB LYS A 237 11.074 1.558 2.526 1.00 0.00 C HETATM 1977 CG LYS A 237 12.509 1.315 2.994 1.00 0.04 C HETATM 1978 CD LYS A 237 13.580 1.949 2.126 1.00 0.17 C HETATM 1979 OE1 LYS A 237 13.546 1.808 0.885 1.00 -0.40 O HETATM 1980 NE2 LYS A 237 14.539 2.665 2.700 1.00 -0.30 N HETATM 1981 H70 LYS A 237 15.251 3.088 2.139 1.00 0.18 H HETATM 1982 H71 LYS A 237 14.550 2.781 3.693 1.00 0.18 H HETATM 1983 H68 LYS A 237 12.683 0.229 3.013 1.00 0.05 H HETATM 1984 H69 LYS A 237 12.610 1.720 4.012 1.00 0.05 H HETATM 1985 H66 LYS A 237 10.911 2.643 2.451 1.00 0.03 H HETATM 1986 H67 LYS A 237 10.948 1.099 1.534 1.00 0.03 H HETATM 1987 H65 LYS A 237 10.023 1.525 4.426 1.00 0.08 H HETATM 1988 H64 LYS A 237 10.217 -1.074 2.983 1.00 0.19 H HETATM 1989 CB LYS A 237 9.496 -3.180 4.899 1.00 -0.02 C HETATM 1990 H61 LYS A 237 8.967 -2.908 3.974 1.00 0.03 H HETATM 1991 H62 LYS A 237 8.867 -2.934 5.767 1.00 0.03 H HETATM 1992 H63 LYS A 237 9.710 -4.259 4.895 1.00 0.03 H HETATM 1993 H60 LYS A 237 11.443 -2.665 4.122 1.00 0.08 H HETATM 1994 H59 LYS A 237 11.211 -2.341 7.065 1.00 0.19 H HETATM 1995 CB LYS A 237 14.242 -3.422 8.111 1.00 0.02 C HETATM 1996 CG LYS A 237 14.359 -3.643 9.634 1.00 -0.05 C HETATM 1997 CD1 LYS A 237 15.128 -4.632 10.167 1.00 -0.07 C HETATM 1998 CE1 LYS A 237 15.185 -4.790 11.579 1.00 -0.04 C HETATM 1999 CZ LYS A 237 14.427 -3.954 12.373 1.00 0.08 C HETATM 2000 CE2 LYS A 237 13.646 -2.973 11.857 1.00 -0.04 C HETATM 2001 CD2 LYS A 237 13.622 -2.828 10.483 1.00 -0.07 C HETATM 2002 H55 LYS A 237 13.005 -2.049 10.052 1.00 0.05 H HETATM 2003 H57 LYS A 237 13.061 -2.325 12.500 1.00 0.05 H HETATM 2004 OH LYS A 237 14.404 -4.084 13.775 1.00 -0.34 O HETATM 2005 H58 LYS A 237 14.979 -4.793 14.036 1.00 0.25 H HETATM 2006 H56 LYS A 237 15.813 -5.554 12.024 1.00 0.05 H HETATM 2007 H54 LYS A 237 15.692 -5.294 9.520 1.00 0.05 H HETATM 2008 H52 LYS A 237 14.210 -2.345 7.892 1.00 0.05 H HETATM 2009 H53 LYS A 237 15.105 -3.874 7.601 1.00 0.05 H HETATM 2010 H51 LYS A 237 12.130 -3.825 8.337 1.00 0.08 H HETATM 2011 H50 LYS A 237 13.907 -6.005 7.726 1.00 0.19 H HETATM 2012 CB LYS A 237 11.283 -8.353 6.135 1.00 -0.00 C HETATM 2013 CG1 LYS A 237 11.443 -9.854 5.977 1.00 -0.05 C HETATM 2014 CD1 LYS A 237 10.627 -10.530 4.933 1.00 -0.06 C HETATM 2015 H47 LYS A 237 10.848 -11.608 4.936 1.00 0.02 H HETATM 2016 H48 LYS A 237 10.871 -10.108 3.947 1.00 0.02 H HETATM 2017 H49 LYS A 237 9.559 -10.374 5.144 1.00 0.02 H HETATM 2018 H42 LYS A 237 11.188 -10.315 6.943 1.00 0.03 H HETATM 2019 H43 LYS A 237 12.500 -10.049 5.745 1.00 0.03 H HETATM 2020 CG2 LYS A 237 11.674 -7.630 4.848 1.00 -0.06 C HETATM 2021 H44 LYS A 237 11.551 -6.545 4.985 1.00 0.02 H HETATM 2022 H45 LYS A 237 11.029 -7.971 4.025 1.00 0.02 H HETATM 2023 H46 LYS A 237 12.724 -7.852 4.607 1.00 0.02 H HETATM 2024 H41 LYS A 237 10.222 -8.147 6.337 1.00 0.03 H HETATM 2025 H40 LYS A 237 13.161 -8.036 7.121 1.00 0.08 H HETATM 2026 H39 LYS A 237 10.753 -8.272 8.869 1.00 0.19 H HETATM 2027 CB LYS A 237 12.517 -8.801 11.813 1.00 0.09 C HETATM 2028 OG1 LYS A 237 11.721 -8.935 12.994 1.00 -0.39 O HETATM 2029 H35 LYS A 237 11.663 -9.853 13.233 1.00 0.21 H HETATM 2030 CG2 LYS A 237 12.676 -7.301 11.552 1.00 -0.03 C HETATM 2031 H36 LYS A 237 13.134 -6.822 12.430 1.00 0.03 H HETATM 2032 H37 LYS A 237 11.688 -6.855 11.365 1.00 0.03 H HETATM 2033 H38 LYS A 237 13.320 -7.148 10.674 1.00 0.03 H HETATM 2034 H34 LYS A 237 13.514 -9.227 11.999 1.00 0.06 H HETATM 2035 H33 LYS A 237 10.804 -9.393 10.638 1.00 0.08 H HETATM 2036 H32 LYS A 237 13.004 -11.313 11.218 1.00 0.19 H HETATM 2037 CB LYS A 237 10.621 -14.010 11.721 1.00 -0.01 C HETATM 2038 CG LYS A 237 10.887 -15.612 11.784 1.00 -0.04 C HETATM 2039 CD1 LYS A 237 9.743 -16.058 12.768 1.00 -0.06 C HETATM 2040 H26 LYS A 237 9.791 -17.147 12.916 1.00 0.02 H HETATM 2041 H27 LYS A 237 8.766 -15.789 12.340 1.00 0.02 H HETATM 2042 H28 LYS A 237 9.873 -15.550 13.735 1.00 0.02 H HETATM 2043 CD2 LYS A 237 10.513 -16.229 10.192 1.00 -0.06 C HETATM 2044 H29 LYS A 237 11.302 -15.928 9.487 1.00 0.02 H HETATM 2045 H30 LYS A 237 9.548 -15.821 9.858 1.00 0.02 H HETATM 2046 H31 LYS A 237 10.454 -17.327 10.229 1.00 0.02 H HETATM 2047 H25 LYS A 237 11.896 -15.890 12.121 1.00 0.03 H HETATM 2048 H23 LYS A 237 9.600 -13.816 11.362 1.00 0.03 H HETATM 2049 H24 LYS A 237 10.747 -13.572 12.722 1.00 0.03 H HETATM 2050 H22 LYS A 237 11.563 -13.905 9.777 1.00 0.08 H HETATM 2051 H21 LYS A 237 13.190 -13.636 12.198 1.00 0.19 H HETATM 2052 CB LYS A 237 15.997 -12.283 10.883 1.00 0.08 C HETATM 2053 OG LYS A 237 15.077 -11.320 11.203 1.00 -0.39 O HETATM 2054 H20 LYS A 237 14.343 -11.373 10.602 1.00 0.21 H HETATM 2055 H18 LYS A 237 16.351 -12.115 9.855 1.00 0.06 H HETATM 2056 H19 LYS A 237 16.846 -12.214 11.579 1.00 0.06 H HETATM 2057 H17 LYS A 237 15.326 -13.958 12.032 1.00 0.08 H HETATM 2058 H16 LYS A 237 16.776 -14.232 9.459 1.00 0.19 H HETATM 2059 CB LYS A 237 17.973 -17.732 10.193 1.00 0.01 C HETATM 2060 CG LYS A 237 19.425 -17.620 10.326 1.00 -0.04 C HETATM 2061 CD LYS A 237 20.280 -17.201 9.204 1.00 -0.01 C HETATM 2062 CE LYS A 237 21.646 -17.819 9.194 1.00 -0.04 C HETATM 2063 NZ LYS A 237 22.672 -16.734 9.074 1.00 0.22 N HETATM 2064 H13 LYS A 237 23.593 -17.142 9.067 1.00 0.20 H HETATM 2065 H14 LYS A 237 22.589 -16.105 9.857 1.00 0.20 H HETATM 2066 H15 LYS A 237 22.523 -16.224 8.217 1.00 0.20 H HETATM 2067 H11 LYS A 237 21.734 -18.506 8.339 1.00 0.08 H HETATM 2068 H12 LYS A 237 21.806 -18.376 10.129 1.00 0.08 H HETATM 2069 H9 LYS A 237 20.398 -16.108 9.252 1.00 0.03 H HETATM 2070 H10 LYS A 237 19.773 -17.474 8.266 1.00 0.03 H HETATM 2071 H7 LYS A 237 19.784 -18.614 10.632 1.00 0.03 H HETATM 2072 H8 LYS A 237 19.605 -16.899 11.137 1.00 0.03 H HETATM 2073 H5 LYS A 237 17.846 -18.693 9.674 1.00 0.03 H HETATM 2074 H6 LYS A 237 17.636 -17.831 11.235 1.00 0.03 H HETATM 2075 H4 LYS A 237 16.068 -17.538 9.337 1.00 0.11 H HETATM 2076 H1 LYS A 237 17.644 -16.956 7.680 1.00 0.20 H HETATM 2077 H2 LYS A 237 18.035 -15.574 8.484 1.00 0.20 H HETATM 2078 H3 LYS A 237 16.509 -15.784 7.902 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1888 1889 2076 2077 2078 CONECT 1889 1888 1890 2059 2075 CONECT 1890 1889 1891 1892 CONECT 1891 1890 CONECT 1892 1890 1893 2058 CONECT 1893 1892 1894 2052 2057 CONECT 1894 1893 1895 1896 CONECT 1895 1894 CONECT 1896 1894 1897 2051 CONECT 1897 1896 1898 2037 2050 CONECT 1898 1897 1899 1900 CONECT 1899 1898 CONECT 1900 1898 1901 2036 CONECT 1901 1900 1902 2027 2035 CONECT 1902 1901 1903 1904 CONECT 1903 1902 CONECT 1904 1902 1905 2026 CONECT 1905 1904 1906 2012 2025 CONECT 1906 1905 1907 1908 CONECT 1907 1906 CONECT 1908 1906 1909 2011 CONECT 1909 1908 1910 1995 2010 CONECT 1910 1909 1911 1912 CONECT 1911 1910 CONECT 1912 1910 1913 1994 CONECT 1913 1912 1914 1989 1993 CONECT 1914 1913 1915 1916 CONECT 1915 1914 CONECT 1916 1914 1917 1988 CONECT 1917 1916 1918 1976 1987 CONECT 1918 1917 1919 1920 CONECT 1919 1918 CONECT 1920 1918 1921 1975 CONECT 1921 1920 1922 1964 1974 CONECT 1922 1921 1923 1924 CONECT 1923 1922 CONECT 1924 1922 1925 1963 CONECT 1925 1924 1926 1951 1962 CONECT 1926 1925 1927 1928 CONECT 1927 1926 CONECT 1928 1926 1929 1950 CONECT 1929 1928 1930 1933 1949 CONECT 1930 1929 1931 1932 CONECT 1931 1930 CONECT 1932 1930 CONECT 1933 1929 1934 1947 1948 CONECT 1934 1933 1935 1945 1946 CONECT 1935 1934 1936 1943 1944 CONECT 1936 1935 1937 1941 1942 CONECT 1937 1936 1938 1939 1940 CONECT 1938 1937 CONECT 1939 1937 CONECT 1940 1937 CONECT 1941 1936 CONECT 1942 1936 CONECT 1943 1935 CONECT 1944 1935 CONECT 1945 1934 CONECT 1946 1934 CONECT 1947 1933 CONECT 1948 1933 CONECT 1949 1929 CONECT 1950 1928 CONECT 1951 1925 1952 1960 1961 CONECT 1952 1951 1953 1958 1959 CONECT 1953 1952 1954 1955 CONECT 1954 1953 CONECT 1955 1953 1956 1957 CONECT 1956 1955 CONECT 1957 1955 CONECT 1958 1952 CONECT 1959 1952 CONECT 1960 1951 CONECT 1961 1951 CONECT 1962 1925 CONECT 1963 1924 CONECT 1964 1921 1965 1969 1973 CONECT 1965 1964 1966 1967 1968 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1965 CONECT 1969 1964 1970 1971 1972 CONECT 1970 1969 CONECT 1971 1969 CONECT 1972 1969 CONECT 1973 1964 CONECT 1974 1921 CONECT 1975 1920 CONECT 1976 1917 1977 1985 1986 CONECT 1977 1976 1978 1983 1984 CONECT 1978 1977 1979 1980 CONECT 1979 1978 CONECT 1980 1978 1981 1982 CONECT 1981 1980 CONECT 1982 1980 CONECT 1983 1977 CONECT 1984 1977 CONECT 1985 1976 CONECT 1986 1976 CONECT 1987 1917 CONECT 1988 1916 CONECT 1989 1913 1990 1991 1992 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1989 CONECT 1993 1913 CONECT 1994 1912 CONECT 1995 1909 1996 2008 2009 CONECT 1996 1995 1997 2001 CONECT 1997 1996 1998 2007 CONECT 1998 1997 1999 2006 CONECT 1999 1998 2000 2004 CONECT 2000 1999 2001 2003 CONECT 2001 1996 2000 2002 CONECT 2002 2001 CONECT 2003 2000 CONECT 2004 1999 2005 CONECT 2005 2004 CONECT 2006 1998 CONECT 2007 1997 CONECT 2008 1995 CONECT 2009 1995 CONECT 2010 1909 CONECT 2011 1908 CONECT 2012 1905 2013 2020 2024 CONECT 2013 2012 2014 2018 2019 CONECT 2014 2013 2015 2016 2017 CONECT 2015 2014 CONECT 2016 2014 CONECT 2017 2014 CONECT 2018 2013 CONECT 2019 2013 CONECT 2020 2012 2021 2022 2023 CONECT 2021 2020 CONECT 2022 2020 CONECT 2023 2020 CONECT 2024 2012 CONECT 2025 1905 CONECT 2026 1904 CONECT 2027 1901 2028 2030 2034 CONECT 2028 2027 2029 CONECT 2029 2028 CONECT 2030 2027 2031 2032 2033 CONECT 2031 2030 CONECT 2032 2030 CONECT 2033 2030 CONECT 2034 2027 CONECT 2035 1901 CONECT 2036 1900 CONECT 2037 1897 2038 2048 2049 CONECT 2038 2037 2039 2043 2047 CONECT 2039 2038 2040 2041 2042 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2039 CONECT 2043 2038 2044 2045 2046 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2043 CONECT 2047 2038 CONECT 2048 2037 CONECT 2049 2037 CONECT 2050 1897 CONECT 2051 1896 CONECT 2052 1893 2053 2055 2056 CONECT 2053 2052 2054 CONECT 2054 2053 CONECT 2055 2052 CONECT 2056 2052 CONECT 2057 1893 CONECT 2058 1892 CONECT 2059 1889 2060 2073 2074 CONECT 2060 2059 2061 2071 2072 CONECT 2061 2060 2062 2069 2070 CONECT 2062 2061 2063 2067 2068 CONECT 2063 2062 2064 2065 2066 CONECT 2064 2063 CONECT 2065 2063 CONECT 2066 2063 CONECT 2067 2062 CONECT 2068 2062 CONECT 2069 2061 CONECT 2070 2061 CONECT 2071 2060 CONECT 2072 2060 CONECT 2073 2059 CONECT 2074 2059 CONECT 2075 1889 CONECT 2076 1888 CONECT 2077 1888 CONECT 2078 1888 MASTER 0 0 0 0 0 0 0 0 2077 1 195 8 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
11aa, >1D4W_2|Chains... at 100%
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PDBbind
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1ka7
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PDBbind
12aa, >1KA7_2|Chain... at 91%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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PDBbind
11-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
11-mer
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PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
1d4t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SAP
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Kd=650nM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
(1999) Mol.Cell Vol. 4: pp. 555-561
Ligand Properties
Formula
C
5
8
H
1
0
2
N
1
5
O
1
7
Molecular Weight
1281.520
Exact Mass
1280.760
No. of atoms
192
No. of bonds
192
Polar Surface Area
558.09
LOGP Value
-4.27 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])CCC(=O)N)C(C)C)CCC(=O)N)C)Cc1ccc(cc1)O)[C@H](CC)C)[C@H](O)C)CC(C)C)CO)[NH3+]
InChI String
InChI=1S/C58H99N15O17/c1-9-31(6)46(72-57(88)47(33(8)75)73-53(84)40(26-29(2)3)68-54(85)42(28-74)70-49(80)36(61)14-10-12-24-59)56(87)69-41(27-34-16-18-35(76)19-17-34)52(83)64-32(7)48(79)65-38(21-23-44(63)78)51(82)71-45(30(4)5)55(86)66-37(20-22-43(62)77)50(81)67-39(58(89)90)15-11-13-25-60/h16-19,29-33,36-42,45-47,74-76H,9-15,20-28,59-61H2,1-8H3,(H2,62,77)(H2,63,78)(H,64,83)(H,65,79)(H,66,86)(H,67,81)(H,68,85)(H,69,87)(H,70,80)(H,71,82)(H,72,88)(H,73,84)(H,89,90)/p+3/t31-,32-,33+,36-,37-,38-,39-,40-,41-,42-,45-,46-,47-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O60880
Q13291
Entrez Gene ID
NCBI Entrez Gene ID:
4068
6504
ASD
Information of known allosteric effects of PDB entries
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