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 121:sc= 0.765 USER MOD Set 1.2: A 206 CYS SG : rot 127:sc= 0.551 USER MOD Set 1.3: A 212 CYS SG : rot 128:sc= 0.552 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.636 X(o=1.2,f=1) USER MOD Set 2.1: A 159 CYS SG : rot 120:sc= 0.459 USER MOD Set 2.2: A 168 CYS SG : rot 125:sc= 0.589 USER MOD Set 2.3: A 174 CYS SG : rot 121:sc= 0.702 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.31 K(o=1.4,f=0.44) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00823) USER MOD Single : A 175 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 201 HIS : no HD1:sc= 0.43 K(o=0.43,f=-1.4) USER MOD Single : A 202 THR OG1 : rot 86:sc= 1.54 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 2.925 8.174 2.575 1.00 0.00 N ATOM 74 CA LYS A 155 1.975 7.910 1.446 1.00 0.00 C ATOM 75 C LYS A 155 1.979 6.401 1.075 1.00 0.00 C ATOM 76 O LYS A 155 1.686 6.051 -0.067 1.00 0.00 O ATOM 77 CB LYS A 155 2.381 8.755 0.212 1.00 0.00 C ATOM 78 CG LYS A 155 2.406 10.251 0.564 1.00 0.00 C ATOM 79 CD LYS A 155 2.421 11.182 -0.651 1.00 0.00 C ATOM 80 CE LYS A 155 3.601 10.890 -1.584 1.00 0.00 C ATOM 81 NZ LYS A 155 3.745 11.948 -2.606 1.00 0.00 N ATOM 0 HA LYS A 155 0.970 8.189 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.364 8.443 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.678 8.579 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.534 10.484 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 155 3.286 10.454 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.487 11.073 -1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.473 12.217 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 155 4.519 10.815 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 155 3.453 9.926 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 4.551 11.726 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.876 12.001 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 3.909 12.862 -2.138 1.00 0.00 H new ATOM 95 N THR A 156 2.209 5.481 2.015 1.00 0.00 N ATOM 96 CA THR A 156 2.035 4.023 1.744 1.00 0.00 C ATOM 97 C THR A 156 0.590 3.611 2.043 1.00 0.00 C ATOM 98 O THR A 156 0.176 2.510 1.676 1.00 0.00 O ATOM 99 CB THR A 156 2.990 3.210 2.628 1.00 0.00 C ATOM 100 OG1 THR A 156 2.836 3.443 4.011 1.00 0.00 O ATOM 101 CG2 THR A 156 4.450 3.401 2.222 1.00 0.00 C ATOM 0 H THR A 156 2.513 5.700 2.964 1.00 0.00 H new ATOM 0 HA THR A 156 2.260 3.827 0.696 1.00 0.00 H new ATOM 0 HB THR A 156 2.706 2.172 2.453 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.474 2.891 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.090 2.807 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.586 3.079 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.718 4.454 2.312 1.00 0.00 H new ATOM 109 N GLU A 157 -0.229 4.463 2.683 1.00 0.00 N ATOM 110 CA GLU A 157 -1.629 4.124 3.001 1.00 0.00 C ATOM 111 C GLU A 157 -2.552 5.269 2.550 1.00 0.00 C ATOM 112 O GLU A 157 -2.140 6.436 2.549 1.00 0.00 O ATOM 113 CB GLU A 157 -1.769 3.913 4.519 1.00 0.00 C ATOM 114 CG GLU A 157 -3.133 3.358 4.932 1.00 0.00 C ATOM 115 CD GLU A 157 -3.156 2.973 6.416 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.717 1.846 6.744 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.637 3.799 7.226 1.00 0.00 O ATOM 0 H GLU A 157 0.054 5.393 2.991 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.911 3.210 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.990 3.230 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.602 4.863 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.905 4.103 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.371 2.485 4.325 1.00 0.00 H new ATOM 124 N LEU A 158 -3.795 4.990 2.123 1.00 0.00 N ATOM 125 CA LEU A 158 -4.714 6.035 1.638 1.00 0.00 C ATOM 126 C LEU A 158 -5.055 7.004 2.776 1.00 0.00 C ATOM 127 O LEU A 158 -5.344 6.567 3.893 1.00 0.00 O ATOM 128 CB LEU A 158 -6.009 5.382 1.132 1.00 0.00 C ATOM 129 CG LEU A 158 -6.049 4.796 -0.281 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.441 4.172 -0.426 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.859 5.869 -1.359 1.00 0.00 C ATOM 0 H LEU A 158 -4.187 4.049 2.104 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.232 6.583 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.265 4.582 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.801 6.128 1.200 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.241 4.076 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.541 3.732 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.573 3.398 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.201 4.942 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.895 5.405 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.654 6.611 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.893 6.355 -1.222 1.00 0.00 H new ATOM 143 N CYS A 159 -5.170 8.308 2.515 1.00 0.00 N ATOM 144 CA CYS A 159 -5.700 9.250 3.489 1.00 0.00 C ATOM 145 C CYS A 159 -7.221 9.076 3.574 1.00 0.00 C ATOM 146 O CYS A 159 -7.948 9.517 2.673 1.00 0.00 O ATOM 147 CB CYS A 159 -5.363 10.677 3.052 1.00 0.00 C ATOM 148 SG CYS A 159 -5.828 11.912 4.296 1.00 0.00 S ATOM 0 H CYS A 159 -4.899 8.733 1.628 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.257 9.063 4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.294 10.750 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.876 10.898 2.116 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.770 12.565 4.675 1.00 0.00 H new ATOM 153 N ARG A 160 -7.752 8.339 4.564 1.00 0.00 N ATOM 154 CA ARG A 160 -9.179 7.961 4.579 1.00 0.00 C ATOM 155 C ARG A 160 -10.061 9.224 4.760 1.00 0.00 C ATOM 156 O ARG A 160 -11.087 9.345 4.096 1.00 0.00 O ATOM 157 CB ARG A 160 -9.442 6.974 5.725 1.00 0.00 C ATOM 158 CG ARG A 160 -8.659 5.662 5.549 1.00 0.00 C ATOM 159 CD ARG A 160 -8.985 4.665 6.668 1.00 0.00 C ATOM 160 NE ARG A 160 -8.205 3.421 6.518 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.119 3.063 7.187 1.00 0.00 C ATOM 162 NH1 ARG A 160 -6.605 3.784 8.148 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.508 1.946 6.896 1.00 0.00 N ATOM 0 H ARG A 160 -7.219 7.993 5.362 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.431 7.486 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.165 7.437 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.509 6.755 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.900 5.219 4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.589 5.872 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.770 5.118 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -10.050 4.434 6.654 1.00 0.00 H new ATOM 0 HE ARG A 160 -8.541 2.760 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -7.042 4.667 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -5.767 3.464 8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -6.867 1.347 6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -5.672 1.672 7.412 1.00 0.00 H new ATOM 177 N PRO A 161 -9.679 10.219 5.607 1.00 0.00 N ATOM 178 CA PRO A 161 -10.446 11.469 5.737 1.00 0.00 C ATOM 179 C PRO A 161 -10.606 12.135 4.350 1.00 0.00 C ATOM 180 O PRO A 161 -11.692 12.622 4.019 1.00 0.00 O ATOM 181 CB PRO A 161 -9.701 12.417 6.679 1.00 0.00 C ATOM 182 CG PRO A 161 -8.866 11.438 7.502 1.00 0.00 C ATOM 183 CD PRO A 161 -8.541 10.313 6.517 1.00 0.00 C ATOM 0 HA PRO A 161 -11.434 11.249 6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.080 13.130 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.383 12.997 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.960 11.909 7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.420 11.067 8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.623 10.529 5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.385 9.371 7.042 1.00 0.00 H new ATOM 191 N PHE A 162 -9.569 12.145 3.489 1.00 0.00 N ATOM 192 CA PHE A 162 -9.671 12.743 2.150 1.00 0.00 C ATOM 193 C PHE A 162 -10.571 11.867 1.253 1.00 0.00 C ATOM 194 O PHE A 162 -11.387 12.393 0.503 1.00 0.00 O ATOM 195 CB PHE A 162 -8.271 12.847 1.529 1.00 0.00 C ATOM 196 CG PHE A 162 -8.241 13.630 0.230 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.188 15.036 0.259 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.283 12.959 -1.006 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.176 15.769 -0.941 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.272 13.691 -2.207 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.218 15.096 -2.175 1.00 0.00 C ATOM 0 H PHE A 162 -8.654 11.746 3.700 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.108 13.738 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.599 13.321 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -7.887 11.843 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.156 15.554 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.324 11.880 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.135 16.848 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.305 13.174 -3.154 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.209 15.658 -3.097 1.00 0.00 H new ATOM 211 N GLU A 163 -10.470 10.537 1.303 1.00 0.00 N ATOM 212 CA GLU A 163 -11.331 9.655 0.485 1.00 0.00 C ATOM 213 C GLU A 163 -12.808 9.778 0.953 1.00 0.00 C ATOM 214 O GLU A 163 -13.726 9.594 0.151 1.00 0.00 O ATOM 215 CB GLU A 163 -10.863 8.196 0.640 1.00 0.00 C ATOM 216 CG GLU A 163 -9.509 7.908 -0.025 1.00 0.00 C ATOM 217 CD GLU A 163 -9.613 7.896 -1.555 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.949 6.824 -2.112 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.370 8.961 -2.171 1.00 0.00 O ATOM 0 H GLU A 163 -9.805 10.041 1.897 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.260 9.953 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.795 7.956 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.616 7.535 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.785 8.663 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.133 6.945 0.321 1.00 0.00 H new ATOM 226 N GLU A 164 -13.078 10.049 2.238 1.00 0.00 N ATOM 227 CA GLU A 164 -14.459 10.072 2.763 1.00 0.00 C ATOM 228 C GLU A 164 -15.106 11.448 2.493 1.00 0.00 C ATOM 229 O GLU A 164 -16.283 11.510 2.120 1.00 0.00 O ATOM 230 CB GLU A 164 -14.432 9.811 4.279 1.00 0.00 C ATOM 231 CG GLU A 164 -14.181 8.334 4.613 1.00 0.00 C ATOM 232 CD GLU A 164 -13.997 8.137 6.123 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.021 7.914 6.817 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.836 8.206 6.596 1.00 0.00 O ATOM 0 H GLU A 164 -12.363 10.256 2.935 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.043 9.299 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.654 10.422 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.380 10.124 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.019 7.731 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.294 7.984 4.086 1.00 0.00 H new ATOM 241 N SER A 165 -14.415 12.573 2.736 1.00 0.00 N ATOM 242 CA SER A 165 -15.062 13.916 2.704 1.00 0.00 C ATOM 243 C SER A 165 -14.405 14.800 1.620 1.00 0.00 C ATOM 244 O SER A 165 -14.880 15.909 1.365 1.00 0.00 O ATOM 245 CB SER A 165 -14.909 14.589 4.075 1.00 0.00 C ATOM 246 OG SER A 165 -15.540 13.830 5.097 1.00 0.00 O ATOM 0 H SER A 165 -13.419 12.592 2.955 1.00 0.00 H new ATOM 0 HA SER A 165 -16.119 13.795 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.851 14.707 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.342 15.589 4.042 1.00 0.00 H new ATOM 0 HG SER A 165 -15.425 14.282 5.959 1.00 0.00 H new ATOM 252 N GLY A 166 -13.343 14.350 0.936 1.00 0.00 N ATOM 253 CA GLY A 166 -12.739 15.123 -0.173 1.00 0.00 C ATOM 254 C GLY A 166 -11.890 16.282 0.391 1.00 0.00 C ATOM 255 O GLY A 166 -11.457 17.152 -0.370 1.00 0.00 O ATOM 0 H GLY A 166 -12.882 13.460 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.117 14.470 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.522 15.517 -0.821 1.00 0.00 H new ATOM 259 N THR A 167 -11.646 16.357 1.713 1.00 0.00 N ATOM 260 CA THR A 167 -10.876 17.473 2.309 1.00 0.00 C ATOM 261 C THR A 167 -9.879 16.922 3.333 1.00 0.00 C ATOM 262 O THR A 167 -10.143 15.884 3.954 1.00 0.00 O ATOM 263 CB THR A 167 -11.843 18.451 3.009 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.128 19.585 3.453 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.611 17.884 4.209 1.00 0.00 C ATOM 0 H THR A 167 -11.968 15.664 2.388 1.00 0.00 H new ATOM 0 HA THR A 167 -10.334 17.997 1.522 1.00 0.00 H new ATOM 0 HB THR A 167 -12.589 18.688 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.743 20.207 3.896 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.260 18.656 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.216 17.036 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.904 17.556 4.971 1.00 0.00 H new ATOM 273 N CYS A 168 -8.730 17.576 3.567 1.00 0.00 N ATOM 274 CA CYS A 168 -7.773 17.130 4.583 1.00 0.00 C ATOM 275 C CYS A 168 -7.112 18.355 5.242 1.00 0.00 C ATOM 276 O CYS A 168 -6.551 19.208 4.543 1.00 0.00 O ATOM 277 CB CYS A 168 -6.700 16.258 3.925 1.00 0.00 C ATOM 278 SG CYS A 168 -5.643 15.569 5.228 1.00 0.00 S ATOM 0 H CYS A 168 -8.444 18.416 3.064 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.295 16.550 5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.163 15.457 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.106 16.849 3.228 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.621 14.273 5.129 1.00 0.00 H new ATOM 283 N LYS A 169 -7.162 18.497 6.574 1.00 0.00 N ATOM 284 CA LYS A 169 -6.605 19.688 7.264 1.00 0.00 C ATOM 285 C LYS A 169 -5.074 19.706 7.133 1.00 0.00 C ATOM 286 O LYS A 169 -4.450 20.744 7.365 1.00 0.00 O ATOM 287 CB LYS A 169 -6.988 19.643 8.755 1.00 0.00 C ATOM 288 CG LYS A 169 -8.487 19.455 9.053 1.00 0.00 C ATOM 289 CD LYS A 169 -8.751 19.254 10.554 1.00 0.00 C ATOM 290 CE LYS A 169 -8.196 17.918 11.076 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.522 17.732 12.505 1.00 0.00 N ATOM 0 H LYS A 169 -7.579 17.809 7.201 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.014 20.588 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.437 18.830 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.656 20.569 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.039 20.326 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.862 18.594 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.299 20.074 11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.824 19.295 10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.612 17.095 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.115 17.891 10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.137 16.824 12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.104 18.506 13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.555 17.735 12.629 1.00 0.00 H new ATOM 305 N TYR A 170 -4.423 18.601 6.772 1.00 0.00 N ATOM 306 CA TYR A 170 -2.958 18.566 6.642 1.00 0.00 C ATOM 307 C TYR A 170 -2.544 19.059 5.233 1.00 0.00 C ATOM 308 O TYR A 170 -1.407 19.503 5.044 1.00 0.00 O ATOM 309 CB TYR A 170 -2.463 17.134 6.853 1.00 0.00 C ATOM 310 CG TYR A 170 -2.560 16.702 8.307 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.792 16.291 8.855 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.423 16.780 9.132 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.894 15.988 10.228 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.521 16.480 10.503 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.755 16.083 11.057 1.00 0.00 C ATOM 316 OH TYR A 170 -2.835 15.784 12.383 1.00 0.00 O ATOM 0 H TYR A 170 -4.883 17.715 6.563 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.513 19.219 7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.048 16.454 6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.428 17.056 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.662 16.208 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.472 17.071 8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.842 15.684 10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.647 16.554 11.134 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.956 15.903 12.799 1.00 0.00 H new ATOM 326 N GLY A 171 -3.447 19.071 4.237 1.00 0.00 N ATOM 327 CA GLY A 171 -3.161 19.675 2.921 1.00 0.00 C ATOM 328 C GLY A 171 -1.952 18.977 2.269 1.00 0.00 C ATOM 329 O GLY A 171 -1.834 17.752 2.334 1.00 0.00 O ATOM 0 H GLY A 171 -4.381 18.670 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.034 19.587 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.957 20.739 3.037 1.00 0.00 H new ATOM 333 N GLU A 172 -1.049 19.707 1.600 1.00 0.00 N ATOM 334 CA GLU A 172 0.101 19.093 0.893 1.00 0.00 C ATOM 335 C GLU A 172 1.108 18.519 1.917 1.00 0.00 C ATOM 336 O GLU A 172 2.054 17.828 1.528 1.00 0.00 O ATOM 337 CB GLU A 172 0.801 20.163 0.033 1.00 0.00 C ATOM 338 CG GLU A 172 -0.085 20.781 -1.061 1.00 0.00 C ATOM 339 CD GLU A 172 -0.561 19.742 -2.086 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.213 19.445 -3.028 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.699 19.235 -1.928 1.00 0.00 O ATOM 0 H GLU A 172 -1.086 20.724 1.529 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.260 18.285 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.159 20.959 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.678 19.717 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.951 21.254 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.471 21.566 -1.574 1.00 0.00 H new ATOM 348 N LYS A 173 0.940 18.759 3.229 1.00 0.00 N ATOM 349 CA LYS A 173 1.866 18.226 4.252 1.00 0.00 C ATOM 350 C LYS A 173 1.274 16.949 4.878 1.00 0.00 C ATOM 351 O LYS A 173 1.850 16.404 5.824 1.00 0.00 O ATOM 352 CB LYS A 173 2.085 19.287 5.351 1.00 0.00 C ATOM 353 CG LYS A 173 2.679 20.592 4.788 1.00 0.00 C ATOM 354 CD LYS A 173 2.992 21.632 5.877 1.00 0.00 C ATOM 355 CE LYS A 173 1.767 22.081 6.683 1.00 0.00 C ATOM 356 NZ LYS A 173 0.747 22.737 5.837 1.00 0.00 N ATOM 0 H LYS A 173 0.175 19.317 3.609 1.00 0.00 H new ATOM 0 HA LYS A 173 2.820 17.986 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.135 19.503 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.752 18.885 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.593 20.362 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 173 1.979 21.024 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 173 3.731 21.215 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.447 22.506 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 173 1.324 21.217 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 173 2.083 22.770 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 -0.038 23.068 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 1.173 23.548 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 0.387 22.057 5.137 1.00 0.00 H new ATOM 370 N CYS A 174 0.154 16.408 4.369 1.00 0.00 N ATOM 371 CA CYS A 174 -0.404 15.153 4.878 1.00 0.00 C ATOM 372 C CYS A 174 0.577 13.998 4.597 1.00 0.00 C ATOM 373 O CYS A 174 1.076 13.866 3.473 1.00 0.00 O ATOM 374 CB CYS A 174 -1.740 14.871 4.189 1.00 0.00 C ATOM 375 SG CYS A 174 -2.544 13.498 5.056 1.00 0.00 S ATOM 0 H CYS A 174 -0.379 16.824 3.605 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.562 15.237 5.953 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.374 15.758 4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.581 14.618 3.141 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.700 13.887 5.507 1.00 0.00 H new ATOM 380 N GLN A 175 0.904 13.159 5.581 1.00 0.00 N ATOM 381 CA GLN A 175 1.864 12.069 5.393 1.00 0.00 C ATOM 382 C GLN A 175 1.165 10.856 4.728 1.00 0.00 C ATOM 383 O GLN A 175 1.778 9.797 4.588 1.00 0.00 O ATOM 384 CB GLN A 175 2.432 11.648 6.760 1.00 0.00 C ATOM 385 CG GLN A 175 3.240 12.752 7.461 1.00 0.00 C ATOM 386 CD GLN A 175 4.516 13.111 6.702 1.00 0.00 C ATOM 387 OE1 GLN A 175 4.592 14.084 5.964 1.00 0.00 O ATOM 388 NE2 GLN A 175 5.572 12.335 6.841 1.00 0.00 N ATOM 0 H GLN A 175 0.515 13.214 6.522 1.00 0.00 H new ATOM 0 HA GLN A 175 2.673 12.411 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.609 11.346 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.069 10.774 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.620 13.642 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.499 12.425 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.529 11.519 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 175 6.433 12.550 6.338 1.00 0.00 H new ATOM 397 N PHE A 176 -0.108 10.961 4.309 1.00 0.00 N ATOM 398 CA PHE A 176 -0.845 9.816 3.732 1.00 0.00 C ATOM 399 C PHE A 176 -1.232 10.124 2.269 1.00 0.00 C ATOM 400 O PHE A 176 -1.118 11.271 1.826 1.00 0.00 O ATOM 401 CB PHE A 176 -2.114 9.555 4.561 1.00 0.00 C ATOM 402 CG PHE A 176 -1.835 9.016 5.958 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.439 9.874 7.006 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.947 7.635 6.204 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.164 9.355 8.287 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.670 7.114 7.481 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.298 7.977 8.526 1.00 0.00 C ATOM 0 H PHE A 176 -0.650 11.824 4.358 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.209 8.931 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.679 10.483 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.746 8.845 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.346 10.935 6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.248 6.971 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.851 10.015 9.083 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.743 6.051 7.658 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.115 7.581 9.514 1.00 0.00 H new ATOM 417 N ALA A 177 -1.614 9.128 1.462 1.00 0.00 N ATOM 418 CA ALA A 177 -1.831 9.324 0.019 1.00 0.00 C ATOM 419 C ALA A 177 -3.197 10.005 -0.220 1.00 0.00 C ATOM 420 O ALA A 177 -4.237 9.427 0.099 1.00 0.00 O ATOM 421 CB ALA A 177 -1.811 7.962 -0.684 1.00 0.00 C ATOM 0 H ALA A 177 -1.780 8.174 1.782 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.040 9.959 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -1.971 8.102 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.846 7.483 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.602 7.331 -0.278 1.00 0.00 H new ATOM 427 N HIS A 178 -3.254 11.176 -0.869 1.00 0.00 N ATOM 428 CA HIS A 178 -4.538 11.770 -1.292 1.00 0.00 C ATOM 429 C HIS A 178 -4.943 11.203 -2.672 1.00 0.00 C ATOM 430 O HIS A 178 -6.131 11.168 -2.996 1.00 0.00 O ATOM 431 CB HIS A 178 -4.394 13.301 -1.381 1.00 0.00 C ATOM 432 CG HIS A 178 -4.299 14.006 -0.044 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.148 15.362 0.153 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.427 13.430 1.192 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.190 15.591 1.480 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.374 14.442 2.148 1.00 0.00 N ATOM 0 H HIS A 178 -2.434 11.731 -1.113 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.309 11.523 -0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.503 13.535 -1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.248 13.702 -1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.548 12.375 1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.090 16.562 1.941 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.459 14.331 3.158 1.00 0.00 H new ATOM 444 N GLY A 179 -4.005 10.702 -3.489 1.00 0.00 N ATOM 445 CA GLY A 179 -4.346 10.038 -4.762 1.00 0.00 C ATOM 446 C GLY A 179 -3.648 8.676 -4.837 1.00 0.00 C ATOM 447 O GLY A 179 -2.533 8.526 -4.333 1.00 0.00 O ATOM 0 H GLY A 179 -3.005 10.742 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.426 9.909 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.039 10.661 -5.602 1.00 0.00 H new ATOM 724 N GLU A 195 3.009 -15.541 9.724 1.00 0.00 N ATOM 725 CA GLU A 195 2.510 -16.343 10.863 1.00 0.00 C ATOM 726 C GLU A 195 1.120 -15.825 11.296 1.00 0.00 C ATOM 727 O GLU A 195 0.822 -14.635 11.134 1.00 0.00 O ATOM 728 CB GLU A 195 3.491 -16.225 12.042 1.00 0.00 C ATOM 729 CG GLU A 195 4.779 -17.024 11.803 1.00 0.00 C ATOM 730 CD GLU A 195 5.748 -16.891 12.986 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.443 -17.458 14.062 1.00 0.00 O ATOM 732 OE2 GLU A 195 6.802 -16.232 12.816 1.00 0.00 O ATOM 0 HA GLU A 195 2.427 -17.387 10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.740 -15.176 12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.008 -16.581 12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.534 -18.075 11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.264 -16.672 10.892 1.00 0.00 H new ATOM 739 N LEU A 196 0.243 -16.671 11.860 1.00 0.00 N ATOM 740 CA LEU A 196 -1.093 -16.239 12.306 1.00 0.00 C ATOM 741 C LEU A 196 -0.956 -15.250 13.476 1.00 0.00 C ATOM 742 O LEU A 196 -0.212 -15.517 14.428 1.00 0.00 O ATOM 743 CB LEU A 196 -1.904 -17.467 12.763 1.00 0.00 C ATOM 744 CG LEU A 196 -2.149 -18.539 11.683 1.00 0.00 C ATOM 745 CD1 LEU A 196 -3.006 -19.663 12.268 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.857 -17.987 10.444 1.00 0.00 C ATOM 0 H LEU A 196 0.435 -17.660 12.018 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.608 -15.749 11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.385 -17.932 13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.869 -17.125 13.136 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.170 -18.903 11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -3.180 -20.422 11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.488 -20.112 13.115 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.961 -19.257 12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -3.001 -18.789 9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.826 -17.578 10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.249 -17.200 9.998 1.00 0.00 H new ATOM 758 N CYS A 197 -1.679 -14.131 13.482 1.00 0.00 N ATOM 759 CA CYS A 197 -1.657 -13.194 14.605 1.00 0.00 C ATOM 760 C CYS A 197 -2.299 -13.848 15.834 1.00 0.00 C ATOM 761 O CYS A 197 -3.492 -14.171 15.817 1.00 0.00 O ATOM 762 CB CYS A 197 -2.429 -11.926 14.225 1.00 0.00 C ATOM 763 SG CYS A 197 -2.416 -10.687 15.549 1.00 0.00 S ATOM 0 H CYS A 197 -2.291 -13.850 12.716 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.626 -12.930 14.840 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.994 -11.495 13.323 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.460 -12.189 13.987 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.878 -9.588 15.110 1.00 0.00 H new ATOM 768 N ARG A 198 -1.547 -14.095 16.907 1.00 0.00 N ATOM 769 CA ARG A 198 -2.075 -14.776 18.108 1.00 0.00 C ATOM 770 C ARG A 198 -3.250 -13.987 18.678 1.00 0.00 C ATOM 771 O ARG A 198 -4.304 -14.560 18.927 1.00 0.00 O ATOM 772 CB ARG A 198 -0.962 -14.886 19.171 1.00 0.00 C ATOM 773 CG ARG A 198 -0.157 -16.188 19.022 1.00 0.00 C ATOM 774 CD ARG A 198 -0.697 -17.342 19.889 1.00 0.00 C ATOM 775 NE ARG A 198 -2.136 -17.613 19.692 1.00 0.00 N ATOM 776 CZ ARG A 198 -2.703 -18.346 18.748 1.00 0.00 C ATOM 777 NH1 ARG A 198 -2.020 -18.941 17.805 1.00 0.00 N ATOM 778 NH2 ARG A 198 -4.000 -18.491 18.735 1.00 0.00 N ATOM 0 H ARG A 198 -0.563 -13.835 16.977 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.415 -15.774 17.833 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.291 -14.032 19.084 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.404 -14.844 20.166 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -0.165 -16.494 17.976 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.882 -15.997 19.290 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.132 -18.247 19.665 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.521 -17.108 20.939 1.00 0.00 H new ATOM 0 HE ARG A 198 -2.769 -17.183 20.366 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -1.004 -18.850 17.776 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -2.503 -19.496 17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -4.571 -18.040 19.450 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -4.443 -19.055 18.010 1.00 0.00 H new ATOM 792 N THR A 199 -3.127 -12.679 18.911 1.00 0.00 N ATOM 793 CA THR A 199 -4.231 -11.874 19.482 1.00 0.00 C ATOM 794 C THR A 199 -5.485 -11.986 18.589 1.00 0.00 C ATOM 795 O THR A 199 -6.571 -12.268 19.100 1.00 0.00 O ATOM 796 CB THR A 199 -3.796 -10.397 19.581 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.454 -10.310 20.026 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.626 -9.624 20.601 1.00 0.00 C ATOM 0 H THR A 199 -2.279 -12.147 18.717 1.00 0.00 H new ATOM 0 HA THR A 199 -4.469 -12.251 20.477 1.00 0.00 H new ATOM 0 HB THR A 199 -3.928 -9.975 18.585 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.189 -9.368 20.083 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.286 -8.589 20.638 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.676 -9.650 20.311 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.510 -10.079 21.585 1.00 0.00 H new ATOM 806 N PHE A 200 -5.392 -11.833 17.262 1.00 0.00 N ATOM 807 CA PHE A 200 -6.582 -11.911 16.386 1.00 0.00 C ATOM 808 C PHE A 200 -7.159 -13.351 16.406 1.00 0.00 C ATOM 809 O PHE A 200 -8.376 -13.522 16.458 1.00 0.00 O ATOM 810 CB PHE A 200 -6.191 -11.529 14.954 1.00 0.00 C ATOM 811 CG PHE A 200 -7.379 -11.343 14.030 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.049 -10.105 13.986 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.826 -12.407 13.223 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.156 -9.932 13.136 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.932 -12.233 12.372 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.597 -10.996 12.328 1.00 0.00 C ATOM 0 H PHE A 200 -4.517 -11.656 16.769 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.342 -11.219 16.750 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.612 -10.606 14.978 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.541 -12.302 14.545 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.712 -9.287 14.606 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.318 -13.359 13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.668 -8.982 13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.270 -13.050 11.752 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.446 -10.862 11.674 1.00 0.00 H new ATOM 826 N HIS A 201 -6.336 -14.399 16.378 1.00 0.00 N ATOM 827 CA HIS A 201 -6.840 -15.798 16.354 1.00 0.00 C ATOM 828 C HIS A 201 -7.173 -16.277 17.799 1.00 0.00 C ATOM 829 O HIS A 201 -7.693 -17.382 17.971 1.00 0.00 O ATOM 830 CB HIS A 201 -5.768 -16.716 15.739 1.00 0.00 C ATOM 831 CG HIS A 201 -5.752 -16.608 14.228 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.312 -17.543 13.354 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.332 -15.530 13.503 1.00 0.00 C ATOM 834 CE1 HIS A 201 -6.219 -17.007 12.125 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.636 -15.798 12.187 1.00 0.00 N ATOM 0 H HIS A 201 -5.319 -14.321 16.371 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.748 -15.839 15.753 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.788 -16.450 16.135 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.960 -17.749 16.030 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.854 -14.641 13.887 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.564 -17.480 11.217 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.450 -15.183 11.394 1.00 0.00 H new ATOM 843 N THR A 202 -6.970 -15.461 18.844 1.00 0.00 N ATOM 844 CA THR A 202 -7.355 -15.844 20.236 1.00 0.00 C ATOM 845 C THR A 202 -8.512 -14.955 20.720 1.00 0.00 C ATOM 846 O THR A 202 -9.596 -15.464 21.010 1.00 0.00 O ATOM 847 CB THR A 202 -6.146 -15.681 21.177 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.053 -16.429 20.693 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.433 -16.193 22.589 1.00 0.00 C ATOM 0 H THR A 202 -6.546 -14.537 18.767 1.00 0.00 H new ATOM 0 HA THR A 202 -7.676 -16.886 20.243 1.00 0.00 H new ATOM 0 HB THR A 202 -5.929 -14.613 21.211 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.556 -15.896 20.038 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.550 -16.055 23.212 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.268 -15.637 23.015 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.686 -17.252 22.547 1.00 0.00 H new ATOM 857 N ILE A 203 -8.344 -13.628 20.824 1.00 0.00 N ATOM 858 CA ILE A 203 -9.424 -12.737 21.310 1.00 0.00 C ATOM 859 C ILE A 203 -10.446 -12.489 20.175 1.00 0.00 C ATOM 860 O ILE A 203 -11.518 -11.934 20.422 1.00 0.00 O ATOM 861 CB ILE A 203 -8.816 -11.375 21.770 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.441 -11.523 22.470 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.803 -10.686 22.736 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.901 -10.273 23.183 1.00 0.00 C ATOM 0 H ILE A 203 -7.479 -13.145 20.581 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.927 -13.211 22.153 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.653 -10.777 20.873 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.514 -12.329 23.201 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.709 -11.834 21.724 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.387 -9.733 23.063 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.750 -10.512 22.225 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -9.970 -11.325 23.603 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -5.935 -10.500 23.634 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.784 -9.465 22.461 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.601 -9.967 23.960 1.00 0.00 H new ATOM 876 N GLY A 204 -10.152 -12.859 18.919 1.00 0.00 N ATOM 877 CA GLY A 204 -11.030 -12.529 17.781 1.00 0.00 C ATOM 878 C GLY A 204 -10.774 -11.075 17.335 1.00 0.00 C ATOM 879 O GLY A 204 -11.453 -10.578 16.432 1.00 0.00 O ATOM 0 H GLY A 204 -9.316 -13.385 18.664 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.842 -13.213 16.953 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.075 -12.654 18.066 1.00 0.00 H new ATOM 883 N PHE A 205 -9.825 -10.348 17.951 1.00 0.00 N ATOM 884 CA PHE A 205 -9.567 -8.944 17.613 1.00 0.00 C ATOM 885 C PHE A 205 -8.076 -8.630 17.822 1.00 0.00 C ATOM 886 O PHE A 205 -7.376 -9.387 18.498 1.00 0.00 O ATOM 887 CB PHE A 205 -10.417 -8.038 18.522 1.00 0.00 C ATOM 888 CG PHE A 205 -10.231 -6.549 18.291 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.621 -5.973 17.066 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.613 -5.749 19.273 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.397 -4.604 16.827 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.388 -4.381 19.032 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.779 -3.810 17.808 1.00 0.00 C ATOM 0 H PHE A 205 -9.223 -10.715 18.688 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.830 -8.765 16.570 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.469 -8.285 18.377 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.178 -8.263 19.561 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.092 -6.583 16.309 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.311 -6.187 20.213 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.700 -4.163 15.889 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.915 -3.770 19.787 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.604 -2.761 17.622 1.00 0.00 H new ATOM 903 N CYS A 206 -7.553 -7.509 17.307 1.00 0.00 N ATOM 904 CA CYS A 206 -6.151 -7.137 17.510 1.00 0.00 C ATOM 905 C CYS A 206 -6.041 -5.604 17.662 1.00 0.00 C ATOM 906 O CYS A 206 -6.558 -4.861 16.817 1.00 0.00 O ATOM 907 CB CYS A 206 -5.325 -7.595 16.308 1.00 0.00 C ATOM 908 SG CYS A 206 -3.566 -7.262 16.577 1.00 0.00 S ATOM 0 H CYS A 206 -8.084 -6.844 16.745 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.773 -7.617 18.413 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.477 -8.661 16.141 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.665 -7.080 15.409 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.885 -8.354 16.392 1.00 0.00 H new ATOM 913 N PRO A 207 -5.385 -5.077 18.718 1.00 0.00 N ATOM 914 CA PRO A 207 -5.307 -3.638 18.952 1.00 0.00 C ATOM 915 C PRO A 207 -4.400 -2.979 17.894 1.00 0.00 C ATOM 916 O PRO A 207 -4.407 -1.752 17.757 1.00 0.00 O ATOM 917 CB PRO A 207 -4.731 -3.395 20.347 1.00 0.00 C ATOM 918 CG PRO A 207 -3.947 -4.689 20.586 1.00 0.00 C ATOM 919 CD PRO A 207 -4.718 -5.768 19.811 1.00 0.00 C ATOM 0 HA PRO A 207 -6.303 -3.202 18.880 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.088 -2.515 20.377 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.512 -3.245 21.092 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.922 -4.602 20.227 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.893 -4.928 21.648 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.042 -6.535 19.433 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.441 -6.269 20.455 1.00 0.00 H new ATOM 927 N TYR A 208 -3.621 -3.742 17.107 1.00 0.00 N ATOM 928 CA TYR A 208 -2.764 -3.158 16.063 1.00 0.00 C ATOM 929 C TYR A 208 -3.598 -2.913 14.785 1.00 0.00 C ATOM 930 O TYR A 208 -3.211 -2.098 13.943 1.00 0.00 O ATOM 931 CB TYR A 208 -1.606 -4.121 15.750 1.00 0.00 C ATOM 932 CG TYR A 208 -0.593 -4.294 16.872 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.899 -5.036 18.031 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.674 -3.700 16.751 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.031 -5.126 19.085 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.601 -3.770 17.806 1.00 0.00 C ATOM 937 CZ TYR A 208 1.280 -4.475 18.985 1.00 0.00 C ATOM 938 OH TYR A 208 2.163 -4.531 20.019 1.00 0.00 O ATOM 0 H TYR A 208 -3.568 -4.758 17.174 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.359 -2.209 16.415 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.022 -5.098 15.503 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.085 -3.762 14.862 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.852 -5.538 18.111 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.939 -3.185 15.839 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.212 -5.694 19.971 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.561 -3.283 17.714 1.00 0.00 H new ATOM 0 HH TYR A 208 2.973 -4.031 19.785 1.00 0.00 H new ATOM 948 N GLY A 209 -4.771 -3.540 14.627 1.00 0.00 N ATOM 949 CA GLY A 209 -5.670 -3.252 13.496 1.00 0.00 C ATOM 950 C GLY A 209 -4.960 -3.570 12.161 1.00 0.00 C ATOM 951 O GLY A 209 -4.187 -4.531 12.086 1.00 0.00 O ATOM 0 H GLY A 209 -5.122 -4.251 15.268 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.580 -3.846 13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.970 -2.204 13.517 1.00 0.00 H new ATOM 955 N PRO A 210 -5.212 -2.818 11.070 1.00 0.00 N ATOM 956 CA PRO A 210 -4.649 -3.129 9.755 1.00 0.00 C ATOM 957 C PRO A 210 -3.121 -2.859 9.751 1.00 0.00 C ATOM 958 O PRO A 210 -2.425 -3.284 8.826 1.00 0.00 O ATOM 959 CB PRO A 210 -5.330 -2.250 8.705 1.00 0.00 C ATOM 960 CG PRO A 210 -5.857 -1.085 9.552 1.00 0.00 C ATOM 961 CD PRO A 210 -6.104 -1.674 10.949 1.00 0.00 C ATOM 0 HA PRO A 210 -4.819 -4.181 9.526 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.631 -1.913 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.134 -2.777 8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.134 -0.270 9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.775 -0.677 9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.898 -0.936 11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.144 -1.977 11.065 1.00 0.00 H new ATOM 969 N ARG A 211 -2.550 -2.186 10.772 1.00 0.00 N ATOM 970 CA ARG A 211 -1.089 -1.946 10.838 1.00 0.00 C ATOM 971 C ARG A 211 -0.377 -3.192 11.412 1.00 0.00 C ATOM 972 O ARG A 211 0.851 -3.196 11.534 1.00 0.00 O ATOM 973 CB ARG A 211 -0.804 -0.731 11.745 1.00 0.00 C ATOM 974 CG ARG A 211 -1.188 0.654 11.194 1.00 0.00 C ATOM 975 CD ARG A 211 -2.677 1.009 11.290 1.00 0.00 C ATOM 976 NE ARG A 211 -3.170 0.920 12.674 1.00 0.00 N ATOM 977 CZ ARG A 211 -4.356 1.271 13.132 1.00 0.00 C ATOM 978 NH1 ARG A 211 -5.288 1.784 12.371 1.00 0.00 N ATOM 979 NH2 ARG A 211 -4.627 1.102 14.394 1.00 0.00 N ATOM 0 H ARG A 211 -3.073 -1.800 11.558 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.715 -1.748 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.332 -0.880 12.687 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.262 -0.721 11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -0.616 1.411 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -0.886 0.707 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -2.835 2.019 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -3.253 0.336 10.655 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.517 0.542 13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -5.112 1.928 11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -6.190 2.040 12.772 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.926 0.702 15.017 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -5.541 1.370 14.760 1.00 0.00 H new ATOM 993 N CYS A 212 -1.098 -4.262 11.800 1.00 0.00 N ATOM 994 CA CYS A 212 -0.476 -5.435 12.420 1.00 0.00 C ATOM 995 C CYS A 212 0.423 -6.156 11.392 1.00 0.00 C ATOM 996 O CYS A 212 0.055 -6.269 10.215 1.00 0.00 O ATOM 997 CB CYS A 212 -1.566 -6.392 12.912 1.00 0.00 C ATOM 998 SG CYS A 212 -0.823 -7.639 14.002 1.00 0.00 S ATOM 0 H CYS A 212 -2.110 -4.333 11.693 1.00 0.00 H new ATOM 0 HA CYS A 212 0.134 -5.115 13.265 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.338 -5.838 13.447 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.051 -6.876 12.064 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.483 -7.686 15.121 1.00 0.00 H new ATOM 1003 N HIS A 213 1.598 -6.658 11.783 1.00 0.00 N ATOM 1004 CA HIS A 213 2.529 -7.311 10.845 1.00 0.00 C ATOM 1005 C HIS A 213 2.223 -8.823 10.761 1.00 0.00 C ATOM 1006 O HIS A 213 2.989 -9.568 10.153 1.00 0.00 O ATOM 1007 CB HIS A 213 3.966 -7.108 11.338 1.00 0.00 C ATOM 1008 CG HIS A 213 4.377 -5.656 11.286 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.535 -4.899 10.122 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.599 -4.855 12.365 1.00 0.00 C ATOM 1011 CE1 HIS A 213 4.842 -3.657 10.530 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.900 -3.603 11.873 1.00 0.00 N ATOM 0 H HIS A 213 1.932 -6.627 12.746 1.00 0.00 H new ATOM 0 HA HIS A 213 2.411 -6.869 9.855 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.055 -7.474 12.361 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.647 -7.701 10.727 1.00 0.00 H new ATOM 0 HD2 HIS A 213 4.549 -5.145 13.404 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.018 -2.819 9.872 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.127 -2.779 12.430 1.00 0.00 H new ATOM 1020 N PHE A 214 1.132 -9.325 11.365 1.00 0.00 N ATOM 1021 CA PHE A 214 0.849 -10.783 11.400 1.00 0.00 C ATOM 1022 C PHE A 214 -0.492 -11.077 10.683 1.00 0.00 C ATOM 1023 O PHE A 214 -1.287 -10.161 10.456 1.00 0.00 O ATOM 1024 CB PHE A 214 0.773 -11.254 12.854 1.00 0.00 C ATOM 1025 CG PHE A 214 2.144 -11.376 13.494 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.807 -10.238 13.994 1.00 0.00 C ATOM 1027 CD2 PHE A 214 2.779 -12.631 13.542 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.102 -10.357 14.533 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.070 -12.751 14.085 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.730 -11.614 14.578 1.00 0.00 C ATOM 0 H PHE A 214 0.431 -8.752 11.835 1.00 0.00 H new ATOM 0 HA PHE A 214 1.649 -11.317 10.888 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.167 -10.553 13.429 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.269 -12.219 12.895 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.321 -9.274 13.964 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.273 -13.505 13.160 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.612 -9.484 14.911 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.553 -13.716 14.123 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.723 -11.705 14.993 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.759 -12.326 10.259 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.955 -12.642 9.443 1.00 0.00 C ATOM 1042 C ILE A 215 -3.219 -12.544 10.315 1.00 0.00 C ATOM 1043 O ILE A 215 -3.386 -13.330 11.253 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.831 -14.080 8.869 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.565 -14.291 8.011 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -3.081 -14.413 8.023 1.00 0.00 C ATOM 1047 CD1 ILE A 215 -0.258 -15.766 7.711 1.00 0.00 C ATOM 0 H ILE A 215 -0.168 -13.132 10.465 1.00 0.00 H new ATOM 0 HA ILE A 215 -2.027 -11.929 8.622 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.751 -14.750 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.682 -13.755 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.289 -13.849 8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.991 -15.422 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.971 -14.350 8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -3.164 -13.702 7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.645 -15.834 7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -0.107 -16.304 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -1.093 -16.208 7.169 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.162 -11.656 10.007 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.466 -11.632 10.688 1.00 0.00 C ATOM 1061 C HIS A 216 -6.436 -12.606 9.978 1.00 0.00 C ATOM 1062 O HIS A 216 -6.410 -13.808 10.251 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.039 -10.199 10.651 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.383 -9.258 11.633 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.759 -7.954 11.869 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.382 -9.562 12.517 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.004 -7.491 12.882 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.167 -8.443 13.317 1.00 0.00 N ATOM 0 H HIS A 216 -4.052 -10.940 9.289 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.343 -11.942 11.726 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.925 -9.797 9.644 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.108 -10.239 10.859 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.854 -10.502 12.582 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.064 -6.492 13.288 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.501 -8.363 14.086 1.00 0.00 H new