USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=15 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 118:sc= 0.928 USER MOD Set 1.2: A 206 CYS SG : rot 126:sc= 0.441 USER MOD Set 1.3: A 212 CYS SG : rot 124:sc= 0.409 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.834 X(o=0.94,f=0.79) USER MOD Set 2.1: A 159 CYS SG : rot 119:sc= 0.503 USER MOD Set 2.2: A 168 CYS SG : rot 126:sc= 0.6 USER MOD Set 2.3: A 174 CYS SG : rot 121:sc= 0.876 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.433 K(o=1.5,f=0.59) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 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+ -173:sc= 0 (180deg=-0.033) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.039) USER MOD Single : A 175 GLN : amide:sc= 0.793 K(o=0.79,f=-0.028) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= 0.103 K(o=0.1,f=-0.44) USER MOD Single : A 202 THR OG1 : rot 91:sc= 1.27 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 2.953 8.574 3.083 1.00 0.00 N ATOM 74 CA LYS A 155 2.019 8.328 1.944 1.00 0.00 C ATOM 75 C LYS A 155 2.033 6.829 1.551 1.00 0.00 C ATOM 76 O LYS A 155 1.794 6.496 0.392 1.00 0.00 O ATOM 77 CB LYS A 155 2.435 9.202 0.729 1.00 0.00 C ATOM 78 CG LYS A 155 2.233 10.673 1.145 1.00 0.00 C ATOM 79 CD LYS A 155 2.211 11.672 -0.011 1.00 0.00 C ATOM 80 CE LYS A 155 1.834 13.049 0.545 1.00 0.00 C ATOM 81 NZ LYS A 155 1.871 14.093 -0.497 1.00 0.00 N ATOM 0 HA LYS A 155 1.008 8.597 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.474 9.017 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.830 8.961 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.295 10.754 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 155 3.030 10.953 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.187 11.713 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.492 11.359 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.835 13.004 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.519 13.315 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.610 15.009 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.831 14.154 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 1.199 13.853 -1.253 1.00 0.00 H new ATOM 95 N THR A 156 2.220 5.897 2.491 1.00 0.00 N ATOM 96 CA THR A 156 2.060 4.443 2.204 1.00 0.00 C ATOM 97 C THR A 156 0.627 4.003 2.537 1.00 0.00 C ATOM 98 O THR A 156 0.233 2.885 2.199 1.00 0.00 O ATOM 99 CB THR A 156 3.050 3.636 3.055 1.00 0.00 C ATOM 100 OG1 THR A 156 2.874 3.849 4.439 1.00 0.00 O ATOM 101 CG2 THR A 156 4.502 3.920 2.687 1.00 0.00 C ATOM 0 H THR A 156 2.481 6.108 3.454 1.00 0.00 H new ATOM 0 HA THR A 156 2.258 4.264 1.147 1.00 0.00 H new ATOM 0 HB THR A 156 2.829 2.592 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.525 3.313 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.161 3.324 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.670 3.661 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.715 4.978 2.838 1.00 0.00 H new ATOM 109 N GLU A 157 -0.197 4.843 3.190 1.00 0.00 N ATOM 110 CA GLU A 157 -1.580 4.470 3.557 1.00 0.00 C ATOM 111 C GLU A 157 -2.556 5.544 3.050 1.00 0.00 C ATOM 112 O GLU A 157 -2.187 6.720 2.944 1.00 0.00 O ATOM 113 CB GLU A 157 -1.688 4.353 5.087 1.00 0.00 C ATOM 114 CG GLU A 157 -3.011 3.756 5.577 1.00 0.00 C ATOM 115 CD GLU A 157 -3.015 3.584 7.100 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.261 2.717 7.604 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.780 4.316 7.771 1.00 0.00 O ATOM 0 H GLU A 157 0.069 5.785 3.475 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.832 3.513 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.866 3.737 5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.564 5.343 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.836 4.403 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.175 2.790 5.099 1.00 0.00 H new ATOM 124 N LEU A 158 -3.803 5.190 2.687 1.00 0.00 N ATOM 125 CA LEU A 158 -4.770 6.159 2.143 1.00 0.00 C ATOM 126 C LEU A 158 -5.084 7.238 3.191 1.00 0.00 C ATOM 127 O LEU A 158 -5.304 6.915 4.363 1.00 0.00 O ATOM 128 CB LEU A 158 -6.071 5.428 1.771 1.00 0.00 C ATOM 129 CG LEU A 158 -6.210 4.851 0.358 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.596 4.197 0.316 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.132 5.930 -0.726 1.00 0.00 C ATOM 0 H LEU A 158 -4.164 4.239 2.761 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.340 6.630 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.204 4.609 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.897 6.122 1.928 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.397 4.153 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.763 3.762 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.652 3.414 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.359 4.949 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.236 5.468 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.934 6.653 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.170 6.439 -0.665 1.00 0.00 H new ATOM 143 N CYS A 159 -5.247 8.504 2.799 1.00 0.00 N ATOM 144 CA CYS A 159 -5.756 9.534 3.694 1.00 0.00 C ATOM 145 C CYS A 159 -7.273 9.369 3.835 1.00 0.00 C ATOM 146 O CYS A 159 -8.024 9.730 2.919 1.00 0.00 O ATOM 147 CB CYS A 159 -5.436 10.913 3.114 1.00 0.00 C ATOM 148 SG CYS A 159 -5.906 12.262 4.234 1.00 0.00 S ATOM 0 H CYS A 159 -5.031 8.837 1.860 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.287 9.440 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.369 10.976 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.957 11.035 2.165 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.848 12.942 4.562 1.00 0.00 H new ATOM 153 N ARG A 160 -7.777 8.737 4.906 1.00 0.00 N ATOM 154 CA ARG A 160 -9.208 8.387 5.004 1.00 0.00 C ATOM 155 C ARG A 160 -10.064 9.675 5.098 1.00 0.00 C ATOM 156 O ARG A 160 -11.108 9.756 4.456 1.00 0.00 O ATOM 157 CB ARG A 160 -9.442 7.517 6.244 1.00 0.00 C ATOM 158 CG ARG A 160 -8.716 6.168 6.130 1.00 0.00 C ATOM 159 CD ARG A 160 -8.840 5.333 7.412 1.00 0.00 C ATOM 160 NE ARG A 160 -10.240 4.983 7.726 1.00 0.00 N ATOM 161 CZ ARG A 160 -10.952 3.990 7.217 1.00 0.00 C ATOM 162 NH1 ARG A 160 -10.473 3.154 6.333 1.00 0.00 N ATOM 163 NH2 ARG A 160 -12.189 3.812 7.592 1.00 0.00 N ATOM 0 H ARG A 160 -7.221 8.458 5.714 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.501 7.832 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.093 8.045 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.511 7.346 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.127 5.606 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.662 6.342 5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.256 4.419 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -8.412 5.889 8.246 1.00 0.00 H new ATOM 0 HE ARG A 160 -10.711 5.573 8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.512 3.252 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -11.061 2.404 5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -12.609 4.439 8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -12.736 3.046 7.199 1.00 0.00 H new ATOM 177 N PRO A 161 -9.645 10.729 5.849 1.00 0.00 N ATOM 178 CA PRO A 161 -10.395 11.993 5.904 1.00 0.00 C ATOM 179 C PRO A 161 -10.597 12.547 4.474 1.00 0.00 C ATOM 180 O PRO A 161 -11.696 13.001 4.137 1.00 0.00 O ATOM 181 CB PRO A 161 -9.609 13.005 6.740 1.00 0.00 C ATOM 182 CG PRO A 161 -8.761 12.085 7.614 1.00 0.00 C ATOM 183 CD PRO A 161 -8.479 10.878 6.714 1.00 0.00 C ATOM 0 HA PRO A 161 -11.370 11.818 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -8.997 13.661 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.264 13.644 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.838 12.572 7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.293 11.793 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.576 11.035 6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.319 9.979 7.309 1.00 0.00 H new ATOM 191 N PHE A 162 -9.586 12.494 3.587 1.00 0.00 N ATOM 192 CA PHE A 162 -9.729 12.988 2.210 1.00 0.00 C ATOM 193 C PHE A 162 -10.632 12.034 1.403 1.00 0.00 C ATOM 194 O PHE A 162 -11.471 12.489 0.633 1.00 0.00 O ATOM 195 CB PHE A 162 -8.346 13.068 1.550 1.00 0.00 C ATOM 196 CG PHE A 162 -8.370 13.717 0.180 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.298 15.119 0.066 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.490 12.929 -0.981 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.347 15.729 -1.199 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.542 13.540 -2.247 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.469 14.940 -2.357 1.00 0.00 C ATOM 0 H PHE A 162 -8.664 12.114 3.801 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.182 13.979 2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.674 13.630 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -7.935 12.062 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.205 15.727 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.542 11.853 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.291 16.804 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.638 12.933 -3.135 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.507 15.409 -3.329 1.00 0.00 H new ATOM 211 N GLU A 163 -10.501 10.713 1.544 1.00 0.00 N ATOM 212 CA GLU A 163 -11.350 9.758 0.803 1.00 0.00 C ATOM 213 C GLU A 163 -12.827 9.898 1.262 1.00 0.00 C ATOM 214 O GLU A 163 -13.742 9.642 0.478 1.00 0.00 O ATOM 215 CB GLU A 163 -10.864 8.323 1.071 1.00 0.00 C ATOM 216 CG GLU A 163 -9.532 7.988 0.382 1.00 0.00 C ATOM 217 CD GLU A 163 -9.709 7.776 -1.127 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.983 6.619 -1.531 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.585 8.769 -1.882 1.00 0.00 O ATOM 0 H GLU A 163 -9.818 10.274 2.162 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.284 9.973 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.754 8.180 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.626 7.621 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.820 8.795 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.108 7.088 0.828 1.00 0.00 H new ATOM 226 N GLU A 164 -13.102 10.267 2.522 1.00 0.00 N ATOM 227 CA GLU A 164 -14.484 10.313 3.040 1.00 0.00 C ATOM 228 C GLU A 164 -15.135 11.672 2.694 1.00 0.00 C ATOM 229 O GLU A 164 -16.314 11.712 2.328 1.00 0.00 O ATOM 230 CB GLU A 164 -14.464 10.131 4.567 1.00 0.00 C ATOM 231 CG GLU A 164 -14.188 8.678 4.976 1.00 0.00 C ATOM 232 CD GLU A 164 -14.039 8.557 6.498 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.074 8.341 7.175 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.893 8.679 6.995 1.00 0.00 O ATOM 0 H GLU A 164 -12.391 10.538 3.201 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.064 9.512 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.701 10.779 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.421 10.447 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.002 8.039 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.279 8.325 4.488 1.00 0.00 H new ATOM 241 N SER A 165 -14.440 12.811 2.858 1.00 0.00 N ATOM 242 CA SER A 165 -15.089 14.152 2.752 1.00 0.00 C ATOM 243 C SER A 165 -14.455 14.964 1.600 1.00 0.00 C ATOM 244 O SER A 165 -14.942 16.051 1.278 1.00 0.00 O ATOM 245 CB SER A 165 -14.908 14.913 4.072 1.00 0.00 C ATOM 246 OG SER A 165 -15.548 14.226 5.140 1.00 0.00 O ATOM 0 H SER A 165 -13.441 12.843 3.062 1.00 0.00 H new ATOM 0 HA SER A 165 -16.151 14.016 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.846 15.026 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.322 15.917 3.979 1.00 0.00 H new ATOM 0 HG SER A 165 -15.420 14.725 5.973 1.00 0.00 H new ATOM 252 N GLY A 166 -13.406 14.473 0.925 1.00 0.00 N ATOM 253 CA GLY A 166 -12.834 15.166 -0.251 1.00 0.00 C ATOM 254 C GLY A 166 -11.988 16.374 0.203 1.00 0.00 C ATOM 255 O GLY A 166 -11.576 17.184 -0.631 1.00 0.00 O ATOM 0 H GLY A 166 -12.934 13.602 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.216 14.475 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.635 15.501 -0.910 1.00 0.00 H new ATOM 259 N THR A 167 -11.717 16.552 1.509 1.00 0.00 N ATOM 260 CA THR A 167 -10.933 17.708 2.000 1.00 0.00 C ATOM 261 C THR A 167 -9.935 17.239 3.061 1.00 0.00 C ATOM 262 O THR A 167 -10.189 16.244 3.750 1.00 0.00 O ATOM 263 CB THR A 167 -11.887 18.753 2.617 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.162 19.918 2.953 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.645 18.299 3.871 1.00 0.00 C ATOM 0 H THR A 167 -12.026 15.915 2.243 1.00 0.00 H new ATOM 0 HA THR A 167 -10.391 18.157 1.167 1.00 0.00 H new ATOM 0 HB THR A 167 -12.637 18.928 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.770 20.581 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.286 19.108 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.257 17.429 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.932 18.037 4.652 1.00 0.00 H new ATOM 273 N CYS A 168 -8.793 17.918 3.250 1.00 0.00 N ATOM 274 CA CYS A 168 -7.828 17.546 4.284 1.00 0.00 C ATOM 275 C CYS A 168 -7.163 18.814 4.848 1.00 0.00 C ATOM 276 O CYS A 168 -6.618 19.620 4.084 1.00 0.00 O ATOM 277 CB CYS A 168 -6.760 16.631 3.680 1.00 0.00 C ATOM 278 SG CYS A 168 -5.744 15.978 5.030 1.00 0.00 S ATOM 0 H CYS A 168 -8.519 18.729 2.696 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.342 17.020 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.227 15.816 3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.142 17.184 2.972 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.728 14.679 4.972 1.00 0.00 H new ATOM 283 N LYS A 169 -7.192 19.048 6.167 1.00 0.00 N ATOM 284 CA LYS A 169 -6.636 20.287 6.763 1.00 0.00 C ATOM 285 C LYS A 169 -5.103 20.288 6.643 1.00 0.00 C ATOM 286 O LYS A 169 -4.473 21.331 6.833 1.00 0.00 O ATOM 287 CB LYS A 169 -7.030 20.361 8.249 1.00 0.00 C ATOM 288 CG LYS A 169 -8.547 20.340 8.515 1.00 0.00 C ATOM 289 CD LYS A 169 -8.857 20.185 10.015 1.00 0.00 C ATOM 290 CE LYS A 169 -8.511 18.794 10.579 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.395 17.742 10.031 1.00 0.00 N ATOM 0 H LYS A 169 -7.592 18.401 6.847 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.037 21.149 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.571 19.523 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.613 21.273 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.995 21.262 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.003 19.519 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.303 20.941 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.916 20.381 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.474 18.555 10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.597 18.811 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.210 16.843 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.389 18.015 10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.208 17.627 9.014 1.00 0.00 H new ATOM 305 N TYR A 170 -4.456 19.163 6.327 1.00 0.00 N ATOM 306 CA TYR A 170 -2.995 19.118 6.195 1.00 0.00 C ATOM 307 C TYR A 170 -2.588 19.517 4.755 1.00 0.00 C ATOM 308 O TYR A 170 -1.457 19.956 4.534 1.00 0.00 O ATOM 309 CB TYR A 170 -2.501 17.704 6.499 1.00 0.00 C ATOM 310 CG TYR A 170 -2.571 17.374 7.980 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.797 17.018 8.579 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.416 17.495 8.777 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.876 16.825 9.971 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.492 17.303 10.169 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.724 16.973 10.773 1.00 0.00 C ATOM 316 OH TYR A 170 -2.809 16.797 12.119 1.00 0.00 O ATOM 0 H TYR A 170 -4.920 18.270 6.158 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.545 19.818 6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.100 16.985 5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.472 17.599 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.678 16.893 7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.469 17.736 8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.820 16.563 10.426 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.605 17.408 10.777 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.927 16.934 12.523 1.00 0.00 H new ATOM 326 N GLY A 171 -3.493 19.449 3.762 1.00 0.00 N ATOM 327 CA GLY A 171 -3.213 19.956 2.404 1.00 0.00 C ATOM 328 C GLY A 171 -1.996 19.227 1.807 1.00 0.00 C ATOM 329 O GLY A 171 -1.872 18.009 1.949 1.00 0.00 O ATOM 0 H GLY A 171 -4.424 19.048 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.084 19.808 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.022 21.029 2.440 1.00 0.00 H new ATOM 333 N GLU A 172 -1.091 19.920 1.103 1.00 0.00 N ATOM 334 CA GLU A 172 0.071 19.271 0.446 1.00 0.00 C ATOM 335 C GLU A 172 1.060 18.750 1.512 1.00 0.00 C ATOM 336 O GLU A 172 2.018 18.051 1.170 1.00 0.00 O ATOM 337 CB GLU A 172 0.785 20.295 -0.453 1.00 0.00 C ATOM 338 CG GLU A 172 -0.078 20.747 -1.638 1.00 0.00 C ATOM 339 CD GLU A 172 0.700 21.706 -2.548 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.670 22.932 -2.278 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.333 21.220 -3.517 1.00 0.00 O ATOM 0 H GLU A 172 -1.134 20.930 0.969 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.281 18.432 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.061 21.165 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.711 19.859 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.401 19.877 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.979 21.239 -1.270 1.00 0.00 H new ATOM 348 N LYS A 173 0.866 19.043 2.810 1.00 0.00 N ATOM 349 CA LYS A 173 1.781 18.569 3.867 1.00 0.00 C ATOM 350 C LYS A 173 1.202 17.303 4.528 1.00 0.00 C ATOM 351 O LYS A 173 1.801 16.771 5.468 1.00 0.00 O ATOM 352 CB LYS A 173 1.955 19.673 4.931 1.00 0.00 C ATOM 353 CG LYS A 173 2.439 21.010 4.335 1.00 0.00 C ATOM 354 CD LYS A 173 2.606 22.108 5.398 1.00 0.00 C ATOM 355 CE LYS A 173 3.757 21.850 6.376 1.00 0.00 C ATOM 356 NZ LYS A 173 5.077 21.910 5.713 1.00 0.00 N ATOM 0 H LYS A 173 0.086 19.604 3.153 1.00 0.00 H new ATOM 0 HA LYS A 173 2.749 18.333 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.005 19.831 5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.669 19.337 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.391 20.853 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 173 1.727 21.346 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 173 2.773 23.062 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 173 1.677 22.201 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.722 22.587 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 173 3.628 20.871 6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 5.828 21.848 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 5.167 21.116 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 5.165 22.808 5.196 1.00 0.00 H new ATOM 370 N CYS A 174 0.053 16.772 4.072 1.00 0.00 N ATOM 371 CA CYS A 174 -0.532 15.568 4.660 1.00 0.00 C ATOM 372 C CYS A 174 0.425 14.383 4.472 1.00 0.00 C ATOM 373 O CYS A 174 0.936 14.166 3.367 1.00 0.00 O ATOM 374 CB CYS A 174 -1.867 15.263 3.979 1.00 0.00 C ATOM 375 SG CYS A 174 -2.665 13.930 4.914 1.00 0.00 S ATOM 0 H CYS A 174 -0.484 17.163 3.298 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.698 15.731 5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.500 16.150 3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.709 14.963 2.943 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.816 14.340 5.357 1.00 0.00 H new ATOM 380 N GLN A 175 0.726 13.611 5.514 1.00 0.00 N ATOM 381 CA GLN A 175 1.670 12.503 5.417 1.00 0.00 C ATOM 382 C GLN A 175 0.957 11.250 4.849 1.00 0.00 C ATOM 383 O GLN A 175 1.539 10.169 4.842 1.00 0.00 O ATOM 384 CB GLN A 175 2.230 12.186 6.815 1.00 0.00 C ATOM 385 CG GLN A 175 2.914 13.383 7.502 1.00 0.00 C ATOM 386 CD GLN A 175 4.121 13.903 6.725 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.195 13.314 6.730 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.013 15.014 6.028 1.00 0.00 N ATOM 0 H GLN A 175 0.325 13.736 6.443 1.00 0.00 H new ATOM 0 HA GLN A 175 2.485 12.783 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.417 11.832 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.947 11.370 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.190 14.189 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.231 13.089 8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.128 15.521 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.814 15.368 5.506 1.00 0.00 H new ATOM 397 N PHE A 176 -0.301 11.344 4.379 1.00 0.00 N ATOM 398 CA PHE A 176 -1.048 10.165 3.882 1.00 0.00 C ATOM 399 C PHE A 176 -1.454 10.384 2.408 1.00 0.00 C ATOM 400 O PHE A 176 -1.335 11.500 1.891 1.00 0.00 O ATOM 401 CB PHE A 176 -2.305 9.958 4.738 1.00 0.00 C ATOM 402 CG PHE A 176 -2.010 9.478 6.148 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.596 10.386 7.144 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.123 8.111 6.458 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.288 9.925 8.438 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.821 7.649 7.751 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.407 8.559 8.738 1.00 0.00 C ATOM 0 H PHE A 176 -0.823 12.219 4.332 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.413 9.282 3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.857 10.897 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.954 9.234 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.515 11.438 6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.443 7.413 5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.961 10.620 9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.907 6.598 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.179 8.206 9.733 1.00 0.00 H new ATOM 417 N ALA A 177 -1.850 9.340 1.669 1.00 0.00 N ATOM 418 CA ALA A 177 -2.069 9.443 0.219 1.00 0.00 C ATOM 419 C ALA A 177 -3.458 10.061 -0.066 1.00 0.00 C ATOM 420 O ALA A 177 -4.480 9.435 0.225 1.00 0.00 O ATOM 421 CB ALA A 177 -1.996 8.042 -0.402 1.00 0.00 C ATOM 0 H ALA A 177 -2.026 8.411 2.052 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.301 10.082 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.158 8.112 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.014 7.610 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.764 7.408 0.040 1.00 0.00 H new ATOM 427 N HIS A 178 -3.547 11.224 -0.723 1.00 0.00 N ATOM 428 CA HIS A 178 -4.837 11.747 -1.211 1.00 0.00 C ATOM 429 C HIS A 178 -5.202 11.058 -2.548 1.00 0.00 C ATOM 430 O HIS A 178 -6.385 10.920 -2.865 1.00 0.00 O ATOM 431 CB HIS A 178 -4.729 13.271 -1.425 1.00 0.00 C ATOM 432 CG HIS A 178 -4.543 14.091 -0.167 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.263 15.440 -0.105 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.687 13.652 1.120 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.244 15.796 1.193 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.504 14.737 1.974 1.00 0.00 N ATOM 0 H HIS A 178 -2.747 11.822 -0.930 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.614 11.541 -0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.892 13.468 -2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.630 13.614 -1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.905 12.638 1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.047 16.794 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.557 14.728 2.993 1.00 0.00 H new ATOM 444 N GLY A 179 -4.229 10.575 -3.338 1.00 0.00 N ATOM 445 CA GLY A 179 -4.520 9.806 -4.565 1.00 0.00 C ATOM 446 C GLY A 179 -3.613 8.567 -4.624 1.00 0.00 C ATOM 447 O GLY A 179 -2.506 8.587 -4.085 1.00 0.00 O ATOM 0 H GLY A 179 -3.234 10.702 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.567 9.504 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.358 10.430 -5.444 1.00 0.00 H new ATOM 724 N GLU A 195 3.344 -15.756 10.495 1.00 0.00 N ATOM 725 CA GLU A 195 2.803 -16.597 11.589 1.00 0.00 C ATOM 726 C GLU A 195 1.397 -16.095 11.991 1.00 0.00 C ATOM 727 O GLU A 195 1.063 -14.930 11.752 1.00 0.00 O ATOM 728 CB GLU A 195 3.741 -16.520 12.806 1.00 0.00 C ATOM 729 CG GLU A 195 5.062 -17.263 12.562 1.00 0.00 C ATOM 730 CD GLU A 195 5.960 -17.218 13.805 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.671 -17.973 14.766 1.00 0.00 O ATOM 732 OE2 GLU A 195 6.940 -16.434 13.802 1.00 0.00 O ATOM 0 HA GLU A 195 2.731 -17.629 11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.950 -15.475 13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.241 -16.945 13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.856 -18.300 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.584 -16.815 11.716 1.00 0.00 H new ATOM 739 N LEU A 196 0.542 -16.932 12.603 1.00 0.00 N ATOM 740 CA LEU A 196 -0.818 -16.519 13.000 1.00 0.00 C ATOM 741 C LEU A 196 -0.742 -15.472 14.123 1.00 0.00 C ATOM 742 O LEU A 196 0.044 -15.628 15.064 1.00 0.00 O ATOM 743 CB LEU A 196 -1.601 -17.751 13.502 1.00 0.00 C ATOM 744 CG LEU A 196 -1.792 -18.893 12.485 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.629 -20.003 13.123 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.493 -18.439 11.204 1.00 0.00 C ATOM 0 H LEU A 196 0.767 -17.900 12.834 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.326 -16.085 12.139 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.087 -18.152 14.376 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.585 -17.420 13.835 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.797 -19.246 12.215 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.766 -20.813 12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.116 -20.383 14.006 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.602 -19.605 13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.599 -19.287 10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.479 -18.045 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.901 -17.661 10.722 1.00 0.00 H new ATOM 758 N CYS A 197 -1.572 -14.427 14.106 1.00 0.00 N ATOM 759 CA CYS A 197 -1.632 -13.461 15.204 1.00 0.00 C ATOM 760 C CYS A 197 -2.230 -14.132 16.448 1.00 0.00 C ATOM 761 O CYS A 197 -3.407 -14.514 16.449 1.00 0.00 O ATOM 762 CB CYS A 197 -2.499 -12.271 14.788 1.00 0.00 C ATOM 763 SG CYS A 197 -2.557 -10.998 16.079 1.00 0.00 S ATOM 0 H CYS A 197 -2.215 -14.228 13.339 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.627 -13.110 15.436 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -2.106 -11.838 13.868 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.510 -12.616 14.571 1.00 0.00 H new ATOM 0 HG CYS A 197 -2.040 -9.895 15.625 1.00 0.00 H new ATOM 768 N ARG A 198 -1.460 -14.314 17.521 1.00 0.00 N ATOM 769 CA ARG A 198 -1.943 -15.001 18.739 1.00 0.00 C ATOM 770 C ARG A 198 -3.070 -14.183 19.390 1.00 0.00 C ATOM 771 O ARG A 198 -3.861 -14.733 20.151 1.00 0.00 O ATOM 772 CB ARG A 198 -0.779 -15.157 19.735 1.00 0.00 C ATOM 773 CG ARG A 198 0.208 -16.286 19.377 1.00 0.00 C ATOM 774 CD ARG A 198 -0.378 -17.708 19.413 1.00 0.00 C ATOM 775 NE ARG A 198 -1.017 -18.009 20.710 1.00 0.00 N ATOM 776 CZ ARG A 198 -2.315 -18.098 20.957 1.00 0.00 C ATOM 777 NH1 ARG A 198 -3.222 -18.126 20.016 1.00 0.00 N ATOM 778 NH2 ARG A 198 -2.748 -18.146 22.185 1.00 0.00 N ATOM 0 H ARG A 198 -0.492 -13.996 17.580 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.327 -15.984 18.468 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.233 -14.215 19.790 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.187 -15.347 20.728 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.602 -16.098 18.378 1.00 0.00 H new ATOM 0 HG3 ARG A 198 1.051 -16.241 20.066 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -1.110 -17.819 18.613 1.00 0.00 H new ATOM 0 HD3 ARG A 198 0.414 -18.432 19.222 1.00 0.00 H new ATOM 0 HE ARG A 198 -0.391 -18.165 21.500 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -2.942 -18.078 19.036 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -4.210 -18.196 20.261 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -2.086 -18.115 22.961 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -3.749 -18.215 22.371 1.00 0.00 H new ATOM 792 N THR A 199 -3.215 -12.888 19.095 1.00 0.00 N ATOM 793 CA THR A 199 -4.311 -12.070 19.655 1.00 0.00 C ATOM 794 C THR A 199 -5.572 -12.238 18.799 1.00 0.00 C ATOM 795 O THR A 199 -6.638 -12.536 19.338 1.00 0.00 O ATOM 796 CB THR A 199 -3.892 -10.587 19.678 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.604 -10.456 20.249 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.821 -9.734 20.538 1.00 0.00 C ATOM 0 H THR A 199 -2.590 -12.377 18.472 1.00 0.00 H new ATOM 0 HA THR A 199 -4.522 -12.400 20.672 1.00 0.00 H new ATOM 0 HB THR A 199 -3.924 -10.249 18.642 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.345 -9.511 20.258 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.483 -8.698 20.521 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.836 -9.791 20.144 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.809 -10.103 21.563 1.00 0.00 H new ATOM 806 N PHE A 200 -5.506 -12.127 17.466 1.00 0.00 N ATOM 807 CA PHE A 200 -6.703 -12.287 16.613 1.00 0.00 C ATOM 808 C PHE A 200 -7.232 -13.736 16.718 1.00 0.00 C ATOM 809 O PHE A 200 -8.444 -13.944 16.766 1.00 0.00 O ATOM 810 CB PHE A 200 -6.341 -11.975 15.157 1.00 0.00 C ATOM 811 CG PHE A 200 -7.526 -11.925 14.214 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.266 -10.735 14.084 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.890 -13.062 13.465 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.367 -10.682 13.210 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.990 -13.007 12.590 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.728 -11.818 12.463 1.00 0.00 C ATOM 0 H PHE A 200 -4.647 -11.929 16.953 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.478 -11.598 16.949 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.823 -11.016 15.122 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.640 -12.729 14.800 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.988 -9.862 14.656 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.324 -13.976 13.563 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.935 -9.769 13.112 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.267 -13.879 12.016 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.573 -11.776 11.792 1.00 0.00 H new ATOM 826 N HIS A 201 -6.377 -14.754 16.782 1.00 0.00 N ATOM 827 CA HIS A 201 -6.836 -16.163 16.853 1.00 0.00 C ATOM 828 C HIS A 201 -7.193 -16.542 18.326 1.00 0.00 C ATOM 829 O HIS A 201 -7.685 -17.646 18.570 1.00 0.00 O ATOM 830 CB HIS A 201 -5.723 -17.090 16.332 1.00 0.00 C ATOM 831 CG HIS A 201 -5.631 -17.024 14.818 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.190 -17.957 13.940 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.130 -15.985 14.084 1.00 0.00 C ATOM 834 CE1 HIS A 201 -6.009 -17.463 12.703 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.377 -16.279 12.760 1.00 0.00 N ATOM 0 H HIS A 201 -5.363 -14.643 16.787 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.727 -16.279 16.236 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.768 -16.802 16.772 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.921 -18.115 16.644 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.636 -15.104 14.467 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.327 -17.949 11.792 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.124 -15.698 11.961 1.00 0.00 H new ATOM 843 N THR A 202 -7.049 -15.637 19.313 1.00 0.00 N ATOM 844 CA THR A 202 -7.511 -15.907 20.712 1.00 0.00 C ATOM 845 C THR A 202 -8.713 -15.011 21.047 1.00 0.00 C ATOM 846 O THR A 202 -9.795 -15.522 21.345 1.00 0.00 O ATOM 847 CB THR A 202 -6.369 -15.628 21.703 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.321 -16.535 21.471 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.777 -15.832 23.165 1.00 0.00 C ATOM 0 H THR A 202 -6.623 -14.719 19.183 1.00 0.00 H new ATOM 0 HA THR A 202 -7.808 -16.953 20.791 1.00 0.00 H new ATOM 0 HB THR A 202 -6.084 -14.588 21.546 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.694 -16.151 20.823 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.927 -15.619 23.813 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.598 -15.159 23.411 1.00 0.00 H new ATOM 0 HG23 THR A 202 -7.097 -16.863 23.313 1.00 0.00 H new ATOM 857 N ILE A 203 -8.582 -13.677 21.036 1.00 0.00 N ATOM 858 CA ILE A 203 -9.695 -12.776 21.414 1.00 0.00 C ATOM 859 C ILE A 203 -10.705 -12.679 20.249 1.00 0.00 C ATOM 860 O ILE A 203 -11.807 -12.159 20.429 1.00 0.00 O ATOM 861 CB ILE A 203 -9.134 -11.356 21.739 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.793 -11.398 22.518 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.170 -10.578 22.576 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.279 -10.056 23.061 1.00 0.00 C ATOM 0 H ILE A 203 -7.723 -13.194 20.772 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.197 -13.176 22.295 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.944 -10.863 20.785 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.906 -12.086 23.356 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -7.029 -11.817 21.862 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.782 -9.586 22.805 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -11.097 -10.483 22.011 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.364 -11.115 23.505 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.337 -10.213 23.586 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -7.123 -9.364 22.233 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -8.013 -9.637 23.750 1.00 0.00 H new ATOM 876 N GLY A 204 -10.366 -13.131 19.031 1.00 0.00 N ATOM 877 CA GLY A 204 -11.221 -12.909 17.850 1.00 0.00 C ATOM 878 C GLY A 204 -11.008 -11.477 17.325 1.00 0.00 C ATOM 879 O GLY A 204 -11.663 -11.069 16.362 1.00 0.00 O ATOM 0 H GLY A 204 -9.510 -13.650 18.837 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.980 -13.633 17.072 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.268 -13.060 18.112 1.00 0.00 H new ATOM 883 N PHE A 205 -10.118 -10.673 17.931 1.00 0.00 N ATOM 884 CA PHE A 205 -9.897 -9.285 17.513 1.00 0.00 C ATOM 885 C PHE A 205 -8.420 -8.913 17.733 1.00 0.00 C ATOM 886 O PHE A 205 -7.704 -9.628 18.439 1.00 0.00 O ATOM 887 CB PHE A 205 -10.794 -8.353 18.349 1.00 0.00 C ATOM 888 CG PHE A 205 -10.666 -6.878 18.015 1.00 0.00 C ATOM 889 CD1 PHE A 205 -11.035 -6.409 16.739 1.00 0.00 C ATOM 890 CD2 PHE A 205 -10.119 -5.982 18.955 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.860 -5.053 16.406 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.943 -4.627 18.621 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.313 -4.162 17.347 1.00 0.00 C ATOM 0 H PHE A 205 -9.538 -10.967 18.717 1.00 0.00 H new ATOM 0 HA PHE A 205 -10.144 -9.176 16.457 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.833 -8.653 18.212 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.557 -8.494 19.404 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.453 -7.092 16.014 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.834 -6.337 19.935 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.146 -4.696 15.428 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.523 -3.943 19.344 1.00 0.00 H new ATOM 0 HZ PHE A 205 -10.177 -3.122 17.091 1.00 0.00 H new ATOM 903 N CYS A 206 -7.931 -7.786 17.200 1.00 0.00 N ATOM 904 CA CYS A 206 -6.551 -7.351 17.431 1.00 0.00 C ATOM 905 C CYS A 206 -6.492 -5.808 17.438 1.00 0.00 C ATOM 906 O CYS A 206 -7.013 -5.166 16.516 1.00 0.00 O ATOM 907 CB CYS A 206 -5.655 -7.897 16.318 1.00 0.00 C ATOM 908 SG CYS A 206 -3.914 -7.493 16.612 1.00 0.00 S ATOM 0 H CYS A 206 -8.473 -7.159 16.605 1.00 0.00 H new ATOM 0 HA CYS A 206 -6.204 -7.728 18.393 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.773 -8.979 16.252 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.969 -7.483 15.360 1.00 0.00 H new ATOM 0 HG CYS A 206 -3.203 -8.581 16.572 1.00 0.00 H new ATOM 913 N PRO A 207 -5.880 -5.162 18.456 1.00 0.00 N ATOM 914 CA PRO A 207 -5.872 -3.703 18.562 1.00 0.00 C ATOM 915 C PRO A 207 -4.983 -3.099 17.456 1.00 0.00 C ATOM 916 O PRO A 207 -5.066 -1.898 17.189 1.00 0.00 O ATOM 917 CB PRO A 207 -5.322 -3.311 19.934 1.00 0.00 C ATOM 918 CG PRO A 207 -4.497 -4.549 20.303 1.00 0.00 C ATOM 919 CD PRO A 207 -5.219 -5.722 19.625 1.00 0.00 C ATOM 0 HA PRO A 207 -6.887 -3.322 18.445 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.710 -2.410 19.888 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -6.117 -3.119 20.654 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.470 -4.459 19.949 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.451 -4.685 21.383 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.513 -6.502 19.338 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.942 -6.179 20.301 1.00 0.00 H new ATOM 927 N TYR A 208 -4.144 -3.887 16.763 1.00 0.00 N ATOM 928 CA TYR A 208 -3.303 -3.362 15.673 1.00 0.00 C ATOM 929 C TYR A 208 -4.119 -3.314 14.364 1.00 0.00 C ATOM 930 O TYR A 208 -3.753 -2.589 13.435 1.00 0.00 O ATOM 931 CB TYR A 208 -2.079 -4.272 15.488 1.00 0.00 C ATOM 932 CG TYR A 208 -1.087 -4.227 16.638 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.335 -4.927 17.836 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.089 -3.468 16.508 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.428 -4.842 18.911 1.00 0.00 C ATOM 936 CE2 TYR A 208 0.993 -3.376 17.580 1.00 0.00 C ATOM 937 CZ TYR A 208 0.742 -4.063 18.786 1.00 0.00 C ATOM 938 OH TYR A 208 1.638 -3.982 19.808 1.00 0.00 O ATOM 0 H TYR A 208 -4.030 -4.886 16.937 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.971 -2.355 15.924 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.421 -5.299 15.358 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.566 -3.988 14.569 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.225 -5.532 17.930 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.298 -2.954 15.582 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.628 -5.373 19.830 1.00 0.00 H new ATOM 0 HE2 TYR A 208 1.885 -2.776 17.480 1.00 0.00 H new ATOM 0 HH TYR A 208 2.383 -3.403 19.545 1.00 0.00 H new ATOM 948 N GLY A 209 -5.252 -4.023 14.260 1.00 0.00 N ATOM 949 CA GLY A 209 -6.121 -3.943 13.074 1.00 0.00 C ATOM 950 C GLY A 209 -5.353 -4.428 11.826 1.00 0.00 C ATOM 951 O GLY A 209 -4.541 -5.352 11.920 1.00 0.00 O ATOM 0 H GLY A 209 -5.589 -4.659 14.983 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -7.012 -4.553 13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.458 -2.917 12.928 1.00 0.00 H new ATOM 955 N PRO A 210 -5.590 -3.854 10.628 1.00 0.00 N ATOM 956 CA PRO A 210 -4.954 -4.325 9.395 1.00 0.00 C ATOM 957 C PRO A 210 -3.441 -3.991 9.417 1.00 0.00 C ATOM 958 O PRO A 210 -2.681 -4.530 8.607 1.00 0.00 O ATOM 959 CB PRO A 210 -5.615 -3.632 8.204 1.00 0.00 C ATOM 960 CG PRO A 210 -6.169 -2.361 8.861 1.00 0.00 C ATOM 961 CD PRO A 210 -6.506 -2.771 10.302 1.00 0.00 C ATOM 0 HA PRO A 210 -5.074 -5.405 9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.901 -3.407 7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.402 -4.241 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.435 -1.555 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.054 -1.999 8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.381 -1.933 10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.543 -3.097 10.384 1.00 0.00 H new ATOM 969 N ARG A 211 -2.951 -3.131 10.334 1.00 0.00 N ATOM 970 CA ARG A 211 -1.510 -2.791 10.407 1.00 0.00 C ATOM 971 C ARG A 211 -0.752 -3.887 11.185 1.00 0.00 C ATOM 972 O ARG A 211 0.468 -3.796 11.341 1.00 0.00 O ATOM 973 CB ARG A 211 -1.335 -1.440 11.123 1.00 0.00 C ATOM 974 CG ARG A 211 -2.043 -0.268 10.432 1.00 0.00 C ATOM 975 CD ARG A 211 -1.736 1.024 11.193 1.00 0.00 C ATOM 976 NE ARG A 211 -2.493 2.162 10.647 1.00 0.00 N ATOM 977 CZ ARG A 211 -3.303 2.973 11.308 1.00 0.00 C ATOM 978 NH1 ARG A 211 -3.520 2.888 12.596 1.00 0.00 N ATOM 979 NH2 ARG A 211 -3.938 3.908 10.661 1.00 0.00 N ATOM 0 H ARG A 211 -3.527 -2.660 11.032 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.107 -2.723 9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.713 -1.529 12.141 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.271 -1.215 11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.708 -0.184 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -3.119 -0.442 10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -1.981 0.894 12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -0.668 1.235 11.138 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.381 2.346 9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -3.053 2.167 13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -4.156 3.543 13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.809 4.010 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -4.565 4.539 11.161 1.00 0.00 H new ATOM 993 N CYS A 212 -1.425 -4.933 11.702 1.00 0.00 N ATOM 994 CA CYS A 212 -0.755 -5.989 12.466 1.00 0.00 C ATOM 995 C CYS A 212 0.236 -6.738 11.555 1.00 0.00 C ATOM 996 O CYS A 212 -0.082 -7.024 10.395 1.00 0.00 O ATOM 997 CB CYS A 212 -1.799 -6.968 13.003 1.00 0.00 C ATOM 998 SG CYS A 212 -1.028 -8.072 14.216 1.00 0.00 S ATOM 0 H CYS A 212 -2.432 -5.064 11.601 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.211 -5.544 13.299 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.622 -6.422 13.464 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.222 -7.550 12.184 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.672 -7.996 15.343 1.00 0.00 H new ATOM 1003 N HIS A 213 1.438 -7.080 12.027 1.00 0.00 N ATOM 1004 CA HIS A 213 2.437 -7.763 11.194 1.00 0.00 C ATOM 1005 C HIS A 213 2.209 -9.288 11.240 1.00 0.00 C ATOM 1006 O HIS A 213 3.063 -10.048 10.786 1.00 0.00 O ATOM 1007 CB HIS A 213 3.845 -7.441 11.720 1.00 0.00 C ATOM 1008 CG HIS A 213 4.276 -6.034 11.395 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.820 -5.621 10.176 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.183 -4.960 12.229 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.049 -4.304 10.306 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.678 -3.881 11.528 1.00 0.00 N ATOM 0 H HIS A 213 1.745 -6.896 12.982 1.00 0.00 H new ATOM 0 HA HIS A 213 2.340 -7.418 10.164 1.00 0.00 H new ATOM 0 HB2 HIS A 213 3.867 -7.584 12.800 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.559 -8.144 11.291 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.798 -4.955 13.238 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.471 -3.673 9.538 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.751 -2.925 11.876 1.00 0.00 H new ATOM 1020 N PHE A 214 1.074 -9.788 11.769 1.00 0.00 N ATOM 1021 CA PHE A 214 0.838 -11.243 11.882 1.00 0.00 C ATOM 1022 C PHE A 214 -0.486 -11.622 11.160 1.00 0.00 C ATOM 1023 O PHE A 214 -1.329 -10.754 10.913 1.00 0.00 O ATOM 1024 CB PHE A 214 0.750 -11.631 13.361 1.00 0.00 C ATOM 1025 CG PHE A 214 2.064 -11.451 14.104 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.409 -10.205 14.668 1.00 0.00 C ATOM 1027 CD2 PHE A 214 2.961 -12.531 14.213 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.642 -10.041 15.326 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.189 -12.370 14.880 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.532 -11.123 15.433 1.00 0.00 C ATOM 0 H PHE A 214 0.311 -9.211 12.123 1.00 0.00 H new ATOM 0 HA PHE A 214 1.663 -11.780 11.414 1.00 0.00 H new ATOM 0 HB2 PHE A 214 -0.019 -11.028 13.844 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.435 -12.671 13.439 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.724 -9.373 14.595 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.705 -13.488 13.782 1.00 0.00 H new ATOM 0 HE1 PHE A 214 3.904 -9.083 15.749 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.869 -13.204 14.968 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.478 -10.997 15.939 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.678 -12.888 10.745 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.841 -13.280 9.907 1.00 0.00 C ATOM 1042 C ILE A 215 -3.138 -13.194 10.733 1.00 0.00 C ATOM 1043 O ILE A 215 -3.267 -13.873 11.756 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.650 -14.736 9.398 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.349 -14.937 8.590 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.856 -15.156 8.531 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.066 -16.407 8.439 1.00 0.00 C ATOM 0 H ILE A 215 -0.049 -13.658 10.972 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.911 -12.601 9.057 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.577 -15.363 10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.477 -14.502 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.458 -14.390 9.077 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.713 -16.178 8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.768 -15.101 9.125 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.940 -14.486 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.988 -16.467 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.227 -16.843 9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.722 -16.957 7.924 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.148 -12.439 10.292 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.462 -12.421 10.954 1.00 0.00 C ATOM 1061 C HIS A 216 -6.417 -13.403 10.234 1.00 0.00 C ATOM 1062 O HIS A 216 -6.361 -14.610 10.482 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.047 -10.990 10.900 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.411 -10.012 11.849 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.783 -8.697 12.016 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.439 -10.288 12.769 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.053 -8.198 13.027 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.241 -9.139 13.527 1.00 0.00 N ATOM 0 H HIS A 216 -4.084 -11.829 9.477 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.350 -12.726 11.995 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.944 -10.609 9.884 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.115 -11.041 11.114 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.919 -11.227 12.886 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.112 -7.181 13.386 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.600 -9.033 14.313 1.00 0.00 H new