USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 349 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 197 CYS SG : rot 123:sc= 0.619 USER MOD Set 1.2: A 206 CYS SG : rot 122:sc= 0.522 USER MOD Set 1.3: A 212 CYS SG : rot 124:sc= 0.648 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.459 K(o=1.3,f=0.75) USER MOD Set 2.1: A 159 CYS SG : rot 117:sc= 0.754 USER MOD Set 2.2: A 168 CYS SG : rot 126:sc= 0.56 USER MOD Set 2.3: A 174 CYS SG : rot 124:sc= 0.832 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.307 K(o=1.8,f=0.91) USER MOD Single : A 155 LYS NZ :NH3+ -171:sc= 0.0737 (180deg=0.0287) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.00014 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.052) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.00573 USER MOD Single : A 201 HIS : no HD1:sc= 0.374 K(o=0.37,f=-1.3) USER MOD Single : A 202 THR OG1 : rot 84:sc= 0.985 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.993 8.672 3.643 1.00 0.00 N ATOM 74 CA LYS A 155 2.032 8.349 2.546 1.00 0.00 C ATOM 75 C LYS A 155 2.004 6.816 2.293 1.00 0.00 C ATOM 76 O LYS A 155 1.723 6.381 1.178 1.00 0.00 O ATOM 77 CB LYS A 155 2.450 9.091 1.253 1.00 0.00 C ATOM 78 CG LYS A 155 2.157 10.585 1.403 1.00 0.00 C ATOM 79 CD LYS A 155 2.625 11.356 0.166 1.00 0.00 C ATOM 80 CE LYS A 155 2.283 12.838 0.314 1.00 0.00 C ATOM 81 NZ LYS A 155 0.827 13.092 0.227 1.00 0.00 N ATOM 0 HA LYS A 155 1.034 8.673 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.511 8.936 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.907 8.687 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.088 10.738 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.659 10.972 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.700 11.234 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.148 10.952 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.656 13.200 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.795 13.406 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.656 14.117 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 0.446 12.637 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.356 12.701 1.067 1.00 0.00 H new ATOM 95 N THR A 156 2.212 5.974 3.305 1.00 0.00 N ATOM 96 CA THR A 156 2.048 4.506 3.158 1.00 0.00 C ATOM 97 C THR A 156 0.609 4.105 3.526 1.00 0.00 C ATOM 98 O THR A 156 0.240 2.939 3.379 1.00 0.00 O ATOM 99 CB THR A 156 3.035 3.782 4.089 1.00 0.00 C ATOM 100 OG1 THR A 156 2.933 4.251 5.420 1.00 0.00 O ATOM 101 CG2 THR A 156 4.480 4.007 3.643 1.00 0.00 C ATOM 0 H THR A 156 2.494 6.271 4.239 1.00 0.00 H new ATOM 0 HA THR A 156 2.249 4.224 2.124 1.00 0.00 H new ATOM 0 HB THR A 156 2.777 2.724 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.572 3.770 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.155 3.483 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.612 3.625 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.704 5.074 3.660 1.00 0.00 H new ATOM 109 N GLU A 157 -0.246 5.032 3.991 1.00 0.00 N ATOM 110 CA GLU A 157 -1.644 4.711 4.356 1.00 0.00 C ATOM 111 C GLU A 157 -2.599 5.741 3.721 1.00 0.00 C ATOM 112 O GLU A 157 -2.208 6.894 3.494 1.00 0.00 O ATOM 113 CB GLU A 157 -1.793 4.743 5.886 1.00 0.00 C ATOM 114 CG GLU A 157 -3.182 4.297 6.349 1.00 0.00 C ATOM 115 CD GLU A 157 -3.239 4.058 7.858 1.00 0.00 C ATOM 116 OE1 GLU A 157 -3.411 5.053 8.599 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.149 2.876 8.266 1.00 0.00 O ATOM 0 H GLU A 157 0.003 6.012 4.124 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.894 3.717 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.039 4.096 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.601 5.754 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.915 5.056 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.460 3.381 5.827 1.00 0.00 H new ATOM 124 N LEU A 158 -3.850 5.370 3.387 1.00 0.00 N ATOM 125 CA LEU A 158 -4.803 6.293 2.749 1.00 0.00 C ATOM 126 C LEU A 158 -5.130 7.454 3.700 1.00 0.00 C ATOM 127 O LEU A 158 -5.342 7.231 4.897 1.00 0.00 O ATOM 128 CB LEU A 158 -6.101 5.538 2.416 1.00 0.00 C ATOM 129 CG LEU A 158 -6.206 4.771 1.093 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.595 4.119 1.115 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.101 5.686 -0.131 1.00 0.00 C ATOM 0 H LEU A 158 -4.223 4.435 3.550 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.356 6.688 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.282 4.827 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.916 6.261 2.440 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.388 4.055 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.745 3.550 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.669 3.450 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.359 4.893 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.182 5.089 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.906 6.420 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.140 6.201 -0.119 1.00 0.00 H new ATOM 143 N CYS A 159 -5.320 8.677 3.199 1.00 0.00 N ATOM 144 CA CYS A 159 -5.843 9.771 4.005 1.00 0.00 C ATOM 145 C CYS A 159 -7.355 9.581 4.187 1.00 0.00 C ATOM 146 O CYS A 159 -8.127 9.821 3.250 1.00 0.00 O ATOM 147 CB CYS A 159 -5.568 11.098 3.296 1.00 0.00 C ATOM 148 SG CYS A 159 -6.005 12.523 4.330 1.00 0.00 S ATOM 0 H CYS A 159 -5.116 8.930 2.232 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.358 9.779 4.981 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.513 11.154 3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.136 11.137 2.366 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.938 13.223 4.577 1.00 0.00 H new ATOM 153 N ARG A 160 -7.824 9.043 5.323 1.00 0.00 N ATOM 154 CA ARG A 160 -9.234 8.640 5.472 1.00 0.00 C ATOM 155 C ARG A 160 -10.158 9.886 5.407 1.00 0.00 C ATOM 156 O ARG A 160 -11.187 9.841 4.737 1.00 0.00 O ATOM 157 CB ARG A 160 -9.425 7.922 6.814 1.00 0.00 C ATOM 158 CG ARG A 160 -8.569 6.651 6.903 1.00 0.00 C ATOM 159 CD ARG A 160 -8.841 5.873 8.196 1.00 0.00 C ATOM 160 NE ARG A 160 -8.086 4.604 8.220 1.00 0.00 N ATOM 161 CZ ARG A 160 -6.964 4.338 8.871 1.00 0.00 C ATOM 162 NH1 ARG A 160 -6.371 5.197 9.654 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.395 3.171 8.736 1.00 0.00 N ATOM 0 H ARG A 160 -7.251 8.877 6.150 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.497 7.964 4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.161 8.596 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.476 7.663 6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.775 6.013 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.514 6.919 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.563 6.482 9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -9.908 5.667 8.283 1.00 0.00 H new ATOM 0 HE ARG A 160 -8.476 3.840 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -6.771 6.126 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -5.507 4.940 10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -6.815 2.466 8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -5.531 2.964 9.237 1.00 0.00 H new ATOM 177 N PRO A 161 -9.827 11.030 6.067 1.00 0.00 N ATOM 178 CA PRO A 161 -10.693 12.221 6.030 1.00 0.00 C ATOM 179 C PRO A 161 -10.834 12.722 4.572 1.00 0.00 C ATOM 180 O PRO A 161 -11.923 13.140 4.168 1.00 0.00 O ATOM 181 CB PRO A 161 -10.077 13.321 6.898 1.00 0.00 C ATOM 182 CG PRO A 161 -8.636 12.865 7.076 1.00 0.00 C ATOM 183 CD PRO A 161 -8.696 11.343 6.946 1.00 0.00 C ATOM 0 HA PRO A 161 -11.680 11.964 6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -10.133 14.295 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.591 13.412 7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.985 13.302 6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -8.242 13.165 8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.766 10.955 6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.827 10.878 7.923 1.00 0.00 H new ATOM 191 N PHE A 162 -9.787 12.633 3.728 1.00 0.00 N ATOM 192 CA PHE A 162 -9.891 13.028 2.314 1.00 0.00 C ATOM 193 C PHE A 162 -10.756 12.004 1.550 1.00 0.00 C ATOM 194 O PHE A 162 -11.589 12.391 0.738 1.00 0.00 O ATOM 195 CB PHE A 162 -8.490 13.082 1.693 1.00 0.00 C ATOM 196 CG PHE A 162 -8.494 13.648 0.285 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.405 15.038 0.085 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.630 12.792 -0.826 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.454 15.573 -1.214 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.686 13.327 -2.126 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.596 14.717 -2.321 1.00 0.00 C ATOM 0 H PHE A 162 -8.865 12.293 4.001 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.356 14.012 2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.841 13.691 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.066 12.078 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.299 15.697 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.691 11.724 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.383 16.640 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.798 12.669 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.636 15.127 -3.320 1.00 0.00 H new ATOM 211 N GLU A 163 -10.606 10.699 1.783 1.00 0.00 N ATOM 212 CA GLU A 163 -11.439 9.680 1.109 1.00 0.00 C ATOM 213 C GLU A 163 -12.921 9.831 1.555 1.00 0.00 C ATOM 214 O GLU A 163 -13.830 9.503 0.789 1.00 0.00 O ATOM 215 CB GLU A 163 -10.932 8.275 1.481 1.00 0.00 C ATOM 216 CG GLU A 163 -9.587 7.913 0.831 1.00 0.00 C ATOM 217 CD GLU A 163 -9.744 7.601 -0.662 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.994 6.417 -0.991 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.625 8.546 -1.478 1.00 0.00 O ATOM 0 H GLU A 163 -9.918 10.315 2.431 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.373 9.819 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.832 8.209 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.679 7.538 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.887 8.739 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.158 7.050 1.340 1.00 0.00 H new ATOM 226 N GLU A 164 -13.207 10.295 2.778 1.00 0.00 N ATOM 227 CA GLU A 164 -14.597 10.375 3.279 1.00 0.00 C ATOM 228 C GLU A 164 -15.264 11.683 2.790 1.00 0.00 C ATOM 229 O GLU A 164 -16.434 11.665 2.396 1.00 0.00 O ATOM 230 CB GLU A 164 -14.584 10.352 4.816 1.00 0.00 C ATOM 231 CG GLU A 164 -14.314 8.946 5.369 1.00 0.00 C ATOM 232 CD GLU A 164 -14.137 8.981 6.892 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.161 8.845 7.606 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.982 9.146 7.354 1.00 0.00 O ATOM 0 H GLU A 164 -12.503 10.621 3.440 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.164 9.524 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.820 11.038 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.542 10.711 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.141 8.284 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.418 8.534 4.904 1.00 0.00 H new ATOM 241 N SER A 165 -14.597 12.847 2.868 1.00 0.00 N ATOM 242 CA SER A 165 -15.270 14.160 2.618 1.00 0.00 C ATOM 243 C SER A 165 -14.624 14.874 1.411 1.00 0.00 C ATOM 244 O SER A 165 -15.114 15.922 0.986 1.00 0.00 O ATOM 245 CB SER A 165 -15.136 15.046 3.865 1.00 0.00 C ATOM 246 OG SER A 165 -15.805 14.470 4.978 1.00 0.00 O ATOM 0 H SER A 165 -13.606 12.920 3.098 1.00 0.00 H new ATOM 0 HA SER A 165 -16.323 13.981 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.082 15.186 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.550 16.033 3.659 1.00 0.00 H new ATOM 0 HG SER A 165 -15.703 15.053 5.759 1.00 0.00 H new ATOM 252 N GLY A 166 -13.563 14.333 0.798 1.00 0.00 N ATOM 253 CA GLY A 166 -12.980 14.923 -0.427 1.00 0.00 C ATOM 254 C GLY A 166 -12.150 16.175 -0.070 1.00 0.00 C ATOM 255 O GLY A 166 -11.727 16.906 -0.969 1.00 0.00 O ATOM 0 H GLY A 166 -13.088 13.491 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.349 14.189 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.774 15.190 -1.125 1.00 0.00 H new ATOM 259 N THR A 167 -11.909 16.476 1.217 1.00 0.00 N ATOM 260 CA THR A 167 -11.148 17.684 1.615 1.00 0.00 C ATOM 261 C THR A 167 -10.157 17.324 2.723 1.00 0.00 C ATOM 262 O THR A 167 -10.413 16.399 3.504 1.00 0.00 O ATOM 263 CB THR A 167 -12.125 18.762 2.127 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.418 19.958 2.373 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.902 18.407 3.403 1.00 0.00 C ATOM 0 H THR A 167 -12.226 15.905 2.001 1.00 0.00 H new ATOM 0 HA THR A 167 -10.602 18.068 0.753 1.00 0.00 H new ATOM 0 HB THR A 167 -12.866 18.859 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 167 -12.038 20.644 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.558 19.235 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.500 17.513 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.201 18.221 4.216 1.00 0.00 H new ATOM 273 N CYS A 168 -9.019 18.024 2.857 1.00 0.00 N ATOM 274 CA CYS A 168 -8.065 17.764 3.938 1.00 0.00 C ATOM 275 C CYS A 168 -7.422 19.090 4.389 1.00 0.00 C ATOM 276 O CYS A 168 -6.849 19.813 3.564 1.00 0.00 O ATOM 277 CB CYS A 168 -6.977 16.809 3.438 1.00 0.00 C ATOM 278 SG CYS A 168 -5.975 16.299 4.859 1.00 0.00 S ATOM 0 H CYS A 168 -8.740 18.776 2.226 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.586 17.311 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.426 15.940 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.354 17.300 2.690 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.931 15.001 4.915 1.00 0.00 H new ATOM 283 N LYS A 169 -7.498 19.460 5.675 1.00 0.00 N ATOM 284 CA LYS A 169 -6.962 20.756 6.160 1.00 0.00 C ATOM 285 C LYS A 169 -5.428 20.755 6.074 1.00 0.00 C ATOM 286 O LYS A 169 -4.812 21.822 6.096 1.00 0.00 O ATOM 287 CB LYS A 169 -7.390 20.972 7.625 1.00 0.00 C ATOM 288 CG LYS A 169 -8.899 20.838 7.908 1.00 0.00 C ATOM 289 CD LYS A 169 -9.200 20.826 9.416 1.00 0.00 C ATOM 290 CE LYS A 169 -8.699 19.546 10.108 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.059 19.544 11.542 1.00 0.00 N ATOM 0 H LYS A 169 -7.923 18.886 6.403 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.356 21.560 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.857 20.255 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.068 21.966 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.431 21.665 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.273 19.920 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.734 21.694 9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.275 20.921 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.130 18.672 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.617 19.470 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.710 18.671 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.627 20.367 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.093 19.593 11.640 1.00 0.00 H new ATOM 305 N TYR A 170 -4.767 19.602 5.972 1.00 0.00 N ATOM 306 CA TYR A 170 -3.301 19.547 5.909 1.00 0.00 C ATOM 307 C TYR A 170 -2.829 19.838 4.462 1.00 0.00 C ATOM 308 O TYR A 170 -1.703 20.299 4.262 1.00 0.00 O ATOM 309 CB TYR A 170 -2.825 18.157 6.343 1.00 0.00 C ATOM 310 CG TYR A 170 -3.091 17.914 7.820 1.00 0.00 C ATOM 311 CD1 TYR A 170 -4.385 17.579 8.271 1.00 0.00 C ATOM 312 CD2 TYR A 170 -2.065 18.127 8.758 1.00 0.00 C ATOM 313 CE1 TYR A 170 -4.664 17.514 9.650 1.00 0.00 C ATOM 314 CE2 TYR A 170 -2.343 18.086 10.139 1.00 0.00 C ATOM 315 CZ TYR A 170 -3.647 17.781 10.588 1.00 0.00 C ATOM 316 OH TYR A 170 -3.928 17.744 11.920 1.00 0.00 O ATOM 0 H TYR A 170 -5.222 18.690 5.931 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.879 20.298 6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.333 17.396 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.758 18.058 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -5.166 17.371 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.059 18.323 8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.658 17.259 9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -1.559 18.288 10.854 1.00 0.00 H new ATOM 0 HH TYR A 170 -3.118 17.950 12.431 1.00 0.00 H new ATOM 326 N GLY A 171 -3.685 19.675 3.436 1.00 0.00 N ATOM 327 CA GLY A 171 -3.359 20.107 2.062 1.00 0.00 C ATOM 328 C GLY A 171 -2.105 19.375 1.560 1.00 0.00 C ATOM 329 O GLY A 171 -1.962 18.171 1.777 1.00 0.00 O ATOM 0 H GLY A 171 -4.606 19.248 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.199 19.901 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.193 21.184 2.041 1.00 0.00 H new ATOM 333 N GLU A 172 -1.186 20.043 0.850 1.00 0.00 N ATOM 334 CA GLU A 172 0.010 19.379 0.277 1.00 0.00 C ATOM 335 C GLU A 172 0.983 18.982 1.405 1.00 0.00 C ATOM 336 O GLU A 172 1.945 18.248 1.158 1.00 0.00 O ATOM 337 CB GLU A 172 0.718 20.347 -0.692 1.00 0.00 C ATOM 338 CG GLU A 172 0.011 20.520 -2.048 1.00 0.00 C ATOM 339 CD GLU A 172 -1.375 21.177 -1.954 1.00 0.00 C ATOM 340 OE1 GLU A 172 -1.482 22.246 -1.306 1.00 0.00 O ATOM 341 OE2 GLU A 172 -2.337 20.608 -2.524 1.00 0.00 O ATOM 0 H GLU A 172 -1.241 21.043 0.654 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.301 18.483 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 172 0.803 21.323 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.732 19.988 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 172 0.643 21.122 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.093 19.542 -2.518 1.00 0.00 H new ATOM 348 N LYS A 173 0.755 19.397 2.665 1.00 0.00 N ATOM 349 CA LYS A 173 1.614 18.987 3.792 1.00 0.00 C ATOM 350 C LYS A 173 1.011 17.751 4.485 1.00 0.00 C ATOM 351 O LYS A 173 1.558 17.283 5.488 1.00 0.00 O ATOM 352 CB LYS A 173 1.721 20.144 4.804 1.00 0.00 C ATOM 353 CG LYS A 173 2.398 21.421 4.280 1.00 0.00 C ATOM 354 CD LYS A 173 3.896 21.227 4.008 1.00 0.00 C ATOM 355 CE LYS A 173 4.556 22.590 3.790 1.00 0.00 C ATOM 356 NZ LYS A 173 6.001 22.448 3.510 1.00 0.00 N ATOM 0 H LYS A 173 -0.014 20.014 2.928 1.00 0.00 H new ATOM 0 HA LYS A 173 2.606 18.739 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.718 20.399 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.274 19.792 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 173 1.904 21.739 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.265 22.222 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 173 4.365 20.714 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 173 4.038 20.597 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.071 23.103 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.414 23.211 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 6.421 23.389 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 6.466 21.980 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 6.134 21.875 2.652 1.00 0.00 H new ATOM 370 N CYS A 174 -0.101 17.177 3.994 1.00 0.00 N ATOM 371 CA CYS A 174 -0.683 15.984 4.600 1.00 0.00 C ATOM 372 C CYS A 174 0.272 14.794 4.415 1.00 0.00 C ATOM 373 O CYS A 174 0.731 14.534 3.296 1.00 0.00 O ATOM 374 CB CYS A 174 -2.028 15.673 3.939 1.00 0.00 C ATOM 375 SG CYS A 174 -2.828 14.353 4.890 1.00 0.00 S ATOM 0 H CYS A 174 -0.608 17.525 3.180 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.839 16.160 5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.657 16.563 3.918 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.881 15.362 2.905 1.00 0.00 H new ATOM 0 HG CYS A 174 -4.003 14.750 5.280 1.00 0.00 H new ATOM 380 N GLN A 175 0.633 14.072 5.475 1.00 0.00 N ATOM 381 CA GLN A 175 1.595 12.978 5.384 1.00 0.00 C ATOM 382 C GLN A 175 0.880 11.680 4.931 1.00 0.00 C ATOM 383 O GLN A 175 1.469 10.601 4.996 1.00 0.00 O ATOM 384 CB GLN A 175 2.241 12.755 6.765 1.00 0.00 C ATOM 385 CG GLN A 175 3.122 13.927 7.226 1.00 0.00 C ATOM 386 CD GLN A 175 4.342 14.142 6.333 1.00 0.00 C ATOM 387 OE1 GLN A 175 4.355 14.961 5.425 1.00 0.00 O ATOM 388 NE2 GLN A 175 5.420 13.418 6.556 1.00 0.00 N ATOM 0 H GLN A 175 0.269 14.229 6.415 1.00 0.00 H new ATOM 0 HA GLN A 175 2.363 13.233 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.455 12.589 7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.844 11.848 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.525 14.839 7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.454 13.745 8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.426 12.730 7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 175 6.249 13.545 5.975 1.00 0.00 H new ATOM 397 N PHE A 176 -0.385 11.732 4.480 1.00 0.00 N ATOM 398 CA PHE A 176 -1.133 10.515 4.091 1.00 0.00 C ATOM 399 C PHE A 176 -1.559 10.613 2.610 1.00 0.00 C ATOM 400 O PHE A 176 -1.419 11.673 1.992 1.00 0.00 O ATOM 401 CB PHE A 176 -2.378 10.373 4.978 1.00 0.00 C ATOM 402 CG PHE A 176 -2.059 10.084 6.436 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.706 11.126 7.315 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.097 8.760 6.911 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.385 10.847 8.657 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.780 8.480 8.251 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.430 9.524 9.124 1.00 0.00 C ATOM 0 H PHE A 176 -0.913 12.598 4.375 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.493 9.642 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.963 11.291 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.003 9.571 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.681 12.145 6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.371 7.956 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.105 11.648 9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.805 7.462 8.610 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.195 9.308 10.156 1.00 0.00 H new ATOM 417 N ALA A 177 -1.993 9.520 1.975 1.00 0.00 N ATOM 418 CA ALA A 177 -2.232 9.498 0.524 1.00 0.00 C ATOM 419 C ALA A 177 -3.616 10.110 0.206 1.00 0.00 C ATOM 420 O ALA A 177 -4.643 9.538 0.583 1.00 0.00 O ATOM 421 CB ALA A 177 -2.190 8.050 0.030 1.00 0.00 C ATOM 0 H ALA A 177 -2.187 8.635 2.443 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.461 10.083 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.367 8.027 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.212 7.620 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.961 7.470 0.537 1.00 0.00 H new ATOM 427 N HIS A 178 -3.701 11.201 -0.575 1.00 0.00 N ATOM 428 CA HIS A 178 -4.999 11.705 -1.074 1.00 0.00 C ATOM 429 C HIS A 178 -5.400 10.930 -2.354 1.00 0.00 C ATOM 430 O HIS A 178 -6.589 10.826 -2.662 1.00 0.00 O ATOM 431 CB HIS A 178 -4.883 13.208 -1.393 1.00 0.00 C ATOM 432 CG HIS A 178 -4.697 14.101 -0.185 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.337 15.434 -0.205 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.900 13.760 1.124 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.318 15.873 1.068 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.653 14.885 1.910 1.00 0.00 N ATOM 0 H HIS A 178 -2.895 11.749 -0.874 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.762 11.557 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -4.042 13.357 -2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.781 13.522 -1.925 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.200 12.788 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.068 16.880 1.368 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.715 14.945 2.926 1.00 0.00 H new ATOM 444 N GLY A 179 -4.458 10.329 -3.092 1.00 0.00 N ATOM 445 CA GLY A 179 -4.789 9.443 -4.224 1.00 0.00 C ATOM 446 C GLY A 179 -3.900 8.196 -4.175 1.00 0.00 C ATOM 447 O GLY A 179 -2.856 8.208 -3.521 1.00 0.00 O ATOM 0 H GLY A 179 -3.457 10.438 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.839 9.156 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.643 9.970 -5.167 1.00 0.00 H new ATOM 724 N GLU A 195 3.244 -16.270 10.563 1.00 0.00 N ATOM 725 CA GLU A 195 2.770 -16.823 11.852 1.00 0.00 C ATOM 726 C GLU A 195 1.385 -16.242 12.194 1.00 0.00 C ATOM 727 O GLU A 195 1.082 -15.102 11.825 1.00 0.00 O ATOM 728 CB GLU A 195 3.769 -16.458 12.965 1.00 0.00 C ATOM 729 CG GLU A 195 5.107 -17.213 12.860 1.00 0.00 C ATOM 730 CD GLU A 195 4.974 -18.742 12.973 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.067 -19.216 13.702 1.00 0.00 O ATOM 732 OE2 GLU A 195 5.793 -19.448 12.339 1.00 0.00 O ATOM 0 HA GLU A 195 2.693 -17.907 11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.962 -15.386 12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.316 -16.670 13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.576 -16.969 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.775 -16.858 13.644 1.00 0.00 H new ATOM 739 N LEU A 196 0.513 -16.979 12.904 1.00 0.00 N ATOM 740 CA LEU A 196 -0.830 -16.487 13.259 1.00 0.00 C ATOM 741 C LEU A 196 -0.712 -15.287 14.210 1.00 0.00 C ATOM 742 O LEU A 196 0.037 -15.347 15.194 1.00 0.00 O ATOM 743 CB LEU A 196 -1.621 -17.613 13.953 1.00 0.00 C ATOM 744 CG LEU A 196 -1.809 -18.898 13.122 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.660 -19.896 13.909 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.485 -18.643 11.774 1.00 0.00 C ATOM 0 H LEU A 196 0.715 -17.919 13.244 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.350 -16.177 12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.112 -17.872 14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.604 -17.229 14.225 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.812 -19.293 12.926 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.793 -20.804 13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.160 -20.140 14.846 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.634 -19.456 14.121 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.590 -19.585 11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.471 -18.207 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.877 -17.955 11.187 1.00 0.00 H new ATOM 758 N CYS A 197 -1.455 -14.198 13.994 1.00 0.00 N ATOM 759 CA CYS A 197 -1.455 -13.061 14.911 1.00 0.00 C ATOM 760 C CYS A 197 -2.111 -13.469 16.241 1.00 0.00 C ATOM 761 O CYS A 197 -3.297 -13.817 16.270 1.00 0.00 O ATOM 762 CB CYS A 197 -2.233 -11.901 14.282 1.00 0.00 C ATOM 763 SG CYS A 197 -2.233 -10.405 15.305 1.00 0.00 S ATOM 0 H CYS A 197 -2.067 -14.082 13.186 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.429 -12.747 15.102 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.801 -11.668 13.309 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.262 -12.214 14.108 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.738 -9.414 14.625 1.00 0.00 H new ATOM 768 N ARG A 198 -1.378 -13.471 17.354 1.00 0.00 N ATOM 769 CA ARG A 198 -1.917 -13.909 18.662 1.00 0.00 C ATOM 770 C ARG A 198 -3.134 -13.064 19.034 1.00 0.00 C ATOM 771 O ARG A 198 -4.172 -13.616 19.387 1.00 0.00 O ATOM 772 CB ARG A 198 -0.831 -13.754 19.747 1.00 0.00 C ATOM 773 CG ARG A 198 0.386 -14.678 19.579 1.00 0.00 C ATOM 774 CD ARG A 198 0.037 -16.166 19.712 1.00 0.00 C ATOM 775 NE ARG A 198 1.246 -17.004 19.626 1.00 0.00 N ATOM 776 CZ ARG A 198 1.291 -18.325 19.669 1.00 0.00 C ATOM 777 NH1 ARG A 198 0.219 -19.064 19.804 1.00 0.00 N ATOM 778 NH2 ARG A 198 2.434 -18.947 19.576 1.00 0.00 N ATOM 0 H ARG A 198 -0.403 -13.174 17.386 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.216 -14.955 18.592 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.486 -12.720 19.751 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.281 -13.943 20.721 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.835 -14.503 18.601 1.00 0.00 H new ATOM 0 HG3 ARG A 198 1.137 -14.419 20.326 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.464 -16.342 20.664 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.663 -16.450 18.926 1.00 0.00 H new ATOM 0 HE ARG A 198 2.136 -16.517 19.523 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -0.698 -18.623 19.881 1.00 0.00 H new ATOM 0 HH12 ARG A 198 0.300 -20.080 19.832 1.00 0.00 H new ATOM 0 HH21 ARG A 198 3.297 -18.414 19.470 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.464 -19.966 19.610 1.00 0.00 H new ATOM 792 N THR A 199 -3.065 -11.730 18.991 1.00 0.00 N ATOM 793 CA THR A 199 -4.204 -10.873 19.391 1.00 0.00 C ATOM 794 C THR A 199 -5.437 -11.192 18.523 1.00 0.00 C ATOM 795 O THR A 199 -6.526 -11.395 19.061 1.00 0.00 O ATOM 796 CB THR A 199 -3.822 -9.392 19.220 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.514 -9.160 19.714 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.740 -8.470 20.021 1.00 0.00 C ATOM 0 H THR A 199 -2.240 -11.214 18.686 1.00 0.00 H new ATOM 0 HA THR A 199 -4.445 -11.068 20.436 1.00 0.00 H new ATOM 0 HB THR A 199 -3.902 -9.180 18.154 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.283 -8.215 19.597 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.435 -7.434 19.872 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.768 -8.598 19.683 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.672 -8.719 21.080 1.00 0.00 H new ATOM 806 N PHE A 200 -5.323 -11.296 17.191 1.00 0.00 N ATOM 807 CA PHE A 200 -6.491 -11.575 16.327 1.00 0.00 C ATOM 808 C PHE A 200 -7.018 -13.003 16.600 1.00 0.00 C ATOM 809 O PHE A 200 -8.229 -13.204 16.676 1.00 0.00 O ATOM 810 CB PHE A 200 -6.088 -11.445 14.852 1.00 0.00 C ATOM 811 CG PHE A 200 -7.254 -11.526 13.888 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.980 -10.364 13.567 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.625 -12.762 13.321 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.075 -10.438 12.687 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.719 -12.835 12.441 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.445 -11.672 12.125 1.00 0.00 C ATOM 0 H PHE A 200 -4.443 -11.193 16.686 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.279 -10.855 16.549 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.575 -10.494 14.708 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.374 -12.232 14.610 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.696 -9.415 13.997 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.068 -13.655 13.563 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.632 -9.546 12.443 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.002 -13.783 12.008 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.287 -11.727 11.451 1.00 0.00 H new ATOM 826 N HIS A 201 -6.164 -14.007 16.784 1.00 0.00 N ATOM 827 CA HIS A 201 -6.628 -15.394 17.040 1.00 0.00 C ATOM 828 C HIS A 201 -7.020 -15.562 18.543 1.00 0.00 C ATOM 829 O HIS A 201 -7.516 -16.622 18.933 1.00 0.00 O ATOM 830 CB HIS A 201 -5.508 -16.383 16.680 1.00 0.00 C ATOM 831 CG HIS A 201 -5.453 -16.598 15.180 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.988 -17.703 14.512 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.040 -15.686 14.249 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.879 -17.436 13.199 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.314 -16.230 13.013 1.00 0.00 N ATOM 0 H HIS A 201 -5.150 -13.901 16.763 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.504 -15.597 16.424 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.550 -16.002 17.034 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.679 -17.334 17.184 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.587 -14.725 14.444 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.200 -18.096 12.406 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.121 -15.793 12.112 1.00 0.00 H new ATOM 843 N THR A 202 -6.877 -14.532 19.396 1.00 0.00 N ATOM 844 CA THR A 202 -7.315 -14.612 20.820 1.00 0.00 C ATOM 845 C THR A 202 -8.517 -13.679 21.050 1.00 0.00 C ATOM 846 O THR A 202 -9.602 -14.153 21.397 1.00 0.00 O ATOM 847 CB THR A 202 -6.154 -14.200 21.749 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.053 -15.062 21.565 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.521 -14.279 23.233 1.00 0.00 C ATOM 0 H THR A 202 -6.465 -13.636 19.136 1.00 0.00 H new ATOM 0 HA THR A 202 -7.608 -15.638 21.044 1.00 0.00 H new ATOM 0 HB THR A 202 -5.919 -13.169 21.486 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.526 -14.760 20.795 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.665 -13.977 23.836 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.360 -13.614 23.436 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.800 -15.302 23.485 1.00 0.00 H new ATOM 857 N ILE A 203 -8.387 -12.358 20.889 1.00 0.00 N ATOM 858 CA ILE A 203 -9.507 -11.421 21.146 1.00 0.00 C ATOM 859 C ILE A 203 -10.494 -11.452 19.955 1.00 0.00 C ATOM 860 O ILE A 203 -11.605 -10.931 20.063 1.00 0.00 O ATOM 861 CB ILE A 203 -8.951 -9.975 21.326 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.630 -9.941 22.137 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.009 -9.116 22.052 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.142 -8.555 22.584 1.00 0.00 C ATOM 0 H ILE A 203 -7.525 -11.906 20.584 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.027 -11.723 22.055 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.736 -9.580 20.333 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.757 -10.562 23.024 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.847 -10.402 21.535 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.628 -8.103 22.182 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.923 -9.087 21.459 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.223 -9.551 23.028 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.211 -8.659 23.142 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.972 -7.929 21.708 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.896 -8.091 23.220 1.00 0.00 H new ATOM 876 N GLY A 204 -10.126 -12.022 18.796 1.00 0.00 N ATOM 877 CA GLY A 204 -10.966 -11.946 17.587 1.00 0.00 C ATOM 878 C GLY A 204 -10.713 -10.607 16.866 1.00 0.00 C ATOM 879 O GLY A 204 -11.363 -10.316 15.857 1.00 0.00 O ATOM 0 H GLY A 204 -9.256 -12.539 18.670 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.739 -12.778 16.921 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.019 -12.032 17.857 1.00 0.00 H new ATOM 883 N PHE A 205 -9.796 -9.752 17.353 1.00 0.00 N ATOM 884 CA PHE A 205 -9.542 -8.439 16.745 1.00 0.00 C ATOM 885 C PHE A 205 -8.051 -8.080 16.898 1.00 0.00 C ATOM 886 O PHE A 205 -7.359 -8.665 17.733 1.00 0.00 O ATOM 887 CB PHE A 205 -10.401 -7.379 17.451 1.00 0.00 C ATOM 888 CG PHE A 205 -10.224 -5.964 16.929 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.617 -5.640 15.614 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.620 -4.981 17.738 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.405 -4.342 15.115 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.410 -3.684 17.237 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.801 -3.365 15.926 1.00 0.00 C ATOM 0 H PHE A 205 -9.218 -9.951 18.169 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.798 -8.471 15.686 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.450 -7.658 17.354 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.165 -7.391 18.515 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.081 -6.389 14.990 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.317 -5.224 18.746 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.707 -4.096 14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.948 -2.933 17.860 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.638 -2.369 15.541 1.00 0.00 H new ATOM 903 N CYS A 206 -7.523 -7.088 16.161 1.00 0.00 N ATOM 904 CA CYS A 206 -6.124 -6.663 16.310 1.00 0.00 C ATOM 905 C CYS A 206 -6.037 -5.125 16.198 1.00 0.00 C ATOM 906 O CYS A 206 -6.570 -4.543 15.244 1.00 0.00 O ATOM 907 CB CYS A 206 -5.278 -7.309 15.213 1.00 0.00 C ATOM 908 SG CYS A 206 -3.531 -6.870 15.405 1.00 0.00 S ATOM 0 H CYS A 206 -8.045 -6.567 15.457 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.750 -6.974 17.285 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.392 -8.392 15.251 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.634 -6.985 14.235 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.823 -7.953 15.534 1.00 0.00 H new ATOM 913 N PRO A 207 -5.380 -4.416 17.143 1.00 0.00 N ATOM 914 CA PRO A 207 -5.331 -2.955 17.133 1.00 0.00 C ATOM 915 C PRO A 207 -4.442 -2.464 15.971 1.00 0.00 C ATOM 916 O PRO A 207 -4.503 -1.287 15.605 1.00 0.00 O ATOM 917 CB PRO A 207 -4.751 -2.471 18.462 1.00 0.00 C ATOM 918 CG PRO A 207 -3.935 -3.694 18.899 1.00 0.00 C ATOM 919 CD PRO A 207 -4.698 -4.900 18.334 1.00 0.00 C ATOM 0 HA PRO A 207 -6.337 -2.557 16.999 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.129 -1.584 18.340 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.529 -2.218 19.182 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.918 -3.651 18.508 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.857 -3.749 19.985 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.016 -5.715 18.090 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.410 -5.288 19.062 1.00 0.00 H new ATOM 927 N TYR A 208 -3.629 -3.326 15.337 1.00 0.00 N ATOM 928 CA TYR A 208 -2.800 -2.916 14.189 1.00 0.00 C ATOM 929 C TYR A 208 -3.641 -2.970 12.896 1.00 0.00 C ATOM 930 O TYR A 208 -3.303 -2.306 11.913 1.00 0.00 O ATOM 931 CB TYR A 208 -1.594 -3.857 14.061 1.00 0.00 C ATOM 932 CG TYR A 208 -0.577 -3.737 15.186 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.781 -4.390 16.418 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.585 -2.968 14.994 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.163 -4.263 17.458 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.524 -2.830 16.031 1.00 0.00 C ATOM 937 CZ TYR A 208 1.323 -3.483 17.264 1.00 0.00 C ATOM 938 OH TYR A 208 2.258 -3.363 18.247 1.00 0.00 O ATOM 0 H TYR A 208 -3.528 -4.307 15.598 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.446 -1.897 14.346 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.954 -4.885 14.022 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.093 -3.659 13.113 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.666 -4.991 16.567 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.757 -2.481 14.045 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.002 -4.762 18.402 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.403 -2.221 15.882 1.00 0.00 H new ATOM 0 HH TYR A 208 2.988 -2.789 17.935 1.00 0.00 H new ATOM 948 N GLY A 209 -4.777 -3.683 12.870 1.00 0.00 N ATOM 949 CA GLY A 209 -5.684 -3.673 11.706 1.00 0.00 C ATOM 950 C GLY A 209 -4.937 -4.172 10.450 1.00 0.00 C ATOM 951 O GLY A 209 -4.101 -5.079 10.545 1.00 0.00 O ATOM 0 H GLY A 209 -5.092 -4.274 13.639 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.548 -4.309 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.062 -2.665 11.538 1.00 0.00 H new ATOM 955 N PRO A 210 -5.227 -3.642 9.242 1.00 0.00 N ATOM 956 CA PRO A 210 -4.611 -4.121 8.001 1.00 0.00 C ATOM 957 C PRO A 210 -3.080 -3.865 8.028 1.00 0.00 C ATOM 958 O PRO A 210 -2.346 -4.458 7.234 1.00 0.00 O ATOM 959 CB PRO A 210 -5.232 -3.373 6.819 1.00 0.00 C ATOM 960 CG PRO A 210 -6.529 -2.830 7.430 1.00 0.00 C ATOM 961 CD PRO A 210 -6.208 -2.619 8.915 1.00 0.00 C ATOM 0 HA PRO A 210 -4.786 -5.192 7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.586 -2.573 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.425 -4.034 5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -6.829 -1.896 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.352 -3.533 7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.810 -1.620 9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.103 -2.720 9.530 1.00 0.00 H new ATOM 969 N ARG A 211 -2.557 -2.987 8.909 1.00 0.00 N ATOM 970 CA ARG A 211 -1.104 -2.693 8.956 1.00 0.00 C ATOM 971 C ARG A 211 -0.367 -3.803 9.740 1.00 0.00 C ATOM 972 O ARG A 211 0.859 -3.754 9.869 1.00 0.00 O ATOM 973 CB ARG A 211 -0.874 -1.337 9.654 1.00 0.00 C ATOM 974 CG ARG A 211 -1.538 -0.095 9.032 1.00 0.00 C ATOM 975 CD ARG A 211 -0.900 0.353 7.707 1.00 0.00 C ATOM 976 NE ARG A 211 -1.355 -0.441 6.551 1.00 0.00 N ATOM 977 CZ ARG A 211 -2.513 -0.328 5.921 1.00 0.00 C ATOM 978 NH1 ARG A 211 -3.438 0.522 6.285 1.00 0.00 N ATOM 979 NH2 ARG A 211 -2.773 -1.083 4.890 1.00 0.00 N ATOM 0 H ARG A 211 -3.111 -2.472 9.593 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.716 -2.652 7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.223 -1.425 10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.200 -1.158 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -2.594 -0.306 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -1.487 0.728 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -1.134 1.403 7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 211 0.184 0.278 7.788 1.00 0.00 H new ATOM 0 HE ARG A 211 -0.711 -1.150 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -3.282 1.134 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -4.316 0.573 5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -2.083 -1.762 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -3.666 -0.995 4.405 1.00 0.00 H new ATOM 993 N CYS A 212 -1.068 -4.809 10.299 1.00 0.00 N ATOM 994 CA CYS A 212 -0.426 -5.854 11.104 1.00 0.00 C ATOM 995 C CYS A 212 0.489 -6.718 10.209 1.00 0.00 C ATOM 996 O CYS A 212 0.170 -6.950 9.035 1.00 0.00 O ATOM 997 CB CYS A 212 -1.502 -6.737 11.741 1.00 0.00 C ATOM 998 SG CYS A 212 -0.753 -7.792 13.014 1.00 0.00 S ATOM 0 H CYS A 212 -2.078 -4.915 10.205 1.00 0.00 H new ATOM 0 HA CYS A 212 0.175 -5.389 11.885 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.282 -6.116 12.182 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.979 -7.353 10.979 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.358 -7.599 14.148 1.00 0.00 H new ATOM 1003 N HIS A 213 1.614 -7.229 10.715 1.00 0.00 N ATOM 1004 CA HIS A 213 2.533 -8.050 9.912 1.00 0.00 C ATOM 1005 C HIS A 213 2.222 -9.546 10.113 1.00 0.00 C ATOM 1006 O HIS A 213 2.896 -10.395 9.526 1.00 0.00 O ATOM 1007 CB HIS A 213 3.977 -7.771 10.347 1.00 0.00 C ATOM 1008 CG HIS A 213 4.518 -6.452 9.867 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.224 -6.259 8.676 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.443 -5.270 10.539 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.566 -4.961 8.661 1.00 0.00 C ATOM 1012 NE2 HIS A 213 5.115 -4.346 9.769 1.00 0.00 N ATOM 0 H HIS A 213 1.914 -7.090 11.680 1.00 0.00 H new ATOM 0 HA HIS A 213 2.407 -7.797 8.859 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.029 -7.799 11.435 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.618 -8.571 9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.955 -5.092 11.486 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.124 -4.479 7.872 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.248 -3.361 10.000 1.00 0.00 H new ATOM 1020 N PHE A 214 1.250 -9.927 10.965 1.00 0.00 N ATOM 1021 CA PHE A 214 1.023 -11.347 11.301 1.00 0.00 C ATOM 1022 C PHE A 214 -0.318 -11.827 10.693 1.00 0.00 C ATOM 1023 O PHE A 214 -1.173 -11.004 10.354 1.00 0.00 O ATOM 1024 CB PHE A 214 0.995 -11.512 12.823 1.00 0.00 C ATOM 1025 CG PHE A 214 2.363 -11.263 13.431 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.791 -9.953 13.725 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.240 -12.343 13.630 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.094 -9.726 14.202 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.541 -12.118 14.112 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.968 -10.809 14.393 1.00 0.00 C ATOM 0 H PHE A 214 0.615 -9.278 11.430 1.00 0.00 H new ATOM 0 HA PHE A 214 1.832 -11.949 10.887 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.272 -10.818 13.253 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.660 -12.518 13.076 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.117 -9.121 13.584 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.913 -13.349 13.412 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.422 -8.721 14.421 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.212 -12.950 14.266 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.970 -10.635 14.757 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.518 -13.136 10.473 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.692 -13.642 9.722 1.00 0.00 C ATOM 1042 C ILE A 215 -2.972 -13.426 10.542 1.00 0.00 C ATOM 1043 O ILE A 215 -3.126 -14.020 11.615 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.512 -15.157 9.433 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.222 -15.473 8.645 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.734 -15.691 8.655 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.126 -16.968 8.602 1.00 0.00 C ATOM 0 H ILE A 215 0.113 -13.867 10.801 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.774 -13.098 8.781 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.428 -15.653 10.400 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.331 -15.105 7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.609 -14.929 9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.602 -16.754 8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.636 -15.543 9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.828 -15.153 7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.044 -17.112 8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.268 -17.338 9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.687 -17.517 8.126 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.953 -12.663 10.046 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.272 -12.582 10.683 1.00 0.00 C ATOM 1061 C HIS A 216 -6.181 -13.698 10.120 1.00 0.00 C ATOM 1062 O HIS A 216 -6.154 -14.825 10.623 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.902 -11.200 10.393 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.262 -10.053 11.133 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.604 -8.722 11.014 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.280 -10.142 12.080 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.845 -8.030 11.883 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.040 -8.860 12.564 1.00 0.00 N ATOM 0 H HIS A 216 -3.858 -12.093 9.205 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.167 -12.709 11.760 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.841 -11.004 9.322 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.961 -11.236 10.650 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.780 -11.046 12.396 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.879 -6.958 12.014 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.379 -8.601 13.296 1.00 0.00 H new