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= 0.794 USER MOD Set 1.2: A 206 CYS SG : rot 124:sc= 0.473 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.587 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.726 K(o=1.1,f=0.61) USER MOD Set 2.1: A 159 CYS SG : rot 119:sc= 0.735 USER MOD Set 2.2: A 168 CYS SG : rot 127:sc= 0.629 USER MOD Set 2.3: A 174 CYS SG : rot 122:sc= 0.891 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.377 K(o=1.9,f=1.2) 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+ -178:sc= 0 (180deg=-0.0129) USER MOD Single : A 175 GLN : amide:sc= 0.813 K(o=0.81,f=-0.012) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0095 USER MOD Single : A 201 HIS : no HD1:sc= 0.439 K(o=0.44,f=-1.5!) USER MOD Single : A 202 THR OG1 : rot 84:sc= 1.03 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc=-0.00727 X(o=-0.0073,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.557 8.569 3.103 1.00 0.00 N ATOM 74 CA LYS A 155 1.629 8.234 1.981 1.00 0.00 C ATOM 75 C LYS A 155 1.655 6.710 1.699 1.00 0.00 C ATOM 76 O LYS A 155 1.388 6.289 0.575 1.00 0.00 O ATOM 77 CB LYS A 155 2.043 9.020 0.709 1.00 0.00 C ATOM 78 CG LYS A 155 1.854 10.515 1.034 1.00 0.00 C ATOM 79 CD LYS A 155 1.721 11.431 -0.183 1.00 0.00 C ATOM 80 CE LYS A 155 1.334 12.829 0.311 1.00 0.00 C ATOM 81 NZ LYS A 155 1.383 13.829 -0.774 1.00 0.00 N ATOM 0 HA LYS A 155 0.615 8.517 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.079 8.809 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.430 8.728 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.964 10.627 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.701 10.851 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.660 11.469 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 155 0.965 11.047 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.329 12.800 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.008 13.130 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.115 14.761 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.348 13.876 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.721 13.556 -1.528 1.00 0.00 H new ATOM 95 N THR A 156 1.871 5.853 2.699 1.00 0.00 N ATOM 96 CA THR A 156 1.703 4.386 2.529 1.00 0.00 C ATOM 97 C THR A 156 0.259 3.987 2.866 1.00 0.00 C ATOM 98 O THR A 156 -0.134 2.844 2.628 1.00 0.00 O ATOM 99 CB THR A 156 2.669 3.642 3.464 1.00 0.00 C ATOM 100 OG1 THR A 156 2.471 3.955 4.826 1.00 0.00 O ATOM 101 CG2 THR A 156 4.130 3.890 3.086 1.00 0.00 C ATOM 0 H THR A 156 2.161 6.136 3.635 1.00 0.00 H new ATOM 0 HA THR A 156 1.921 4.119 1.495 1.00 0.00 H new ATOM 0 HB THR A 156 2.442 2.584 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.110 3.453 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 156 4.780 3.346 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.306 3.544 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.346 4.956 3.150 1.00 0.00 H new ATOM 109 N GLU A 157 -0.579 4.895 3.399 1.00 0.00 N ATOM 110 CA GLU A 157 -1.978 4.573 3.746 1.00 0.00 C ATOM 111 C GLU A 157 -2.911 5.672 3.209 1.00 0.00 C ATOM 112 O GLU A 157 -2.501 6.834 3.094 1.00 0.00 O ATOM 113 CB GLU A 157 -2.115 4.480 5.274 1.00 0.00 C ATOM 114 CG GLU A 157 -3.475 3.940 5.723 1.00 0.00 C ATOM 115 CD GLU A 157 -3.488 3.671 7.227 1.00 0.00 C ATOM 116 OE1 GLU A 157 -3.772 4.623 7.991 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.209 2.518 7.629 1.00 0.00 O ATOM 0 H GLU A 157 -0.312 5.859 3.599 1.00 0.00 H new ATOM 0 HA GLU A 157 -2.253 3.619 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.328 3.835 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.962 5.468 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -4.256 4.657 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.701 3.020 5.183 1.00 0.00 H new ATOM 124 N LEU A 158 -4.164 5.356 2.837 1.00 0.00 N ATOM 125 CA LEU A 158 -5.098 6.353 2.284 1.00 0.00 C ATOM 126 C LEU A 158 -5.374 7.450 3.322 1.00 0.00 C ATOM 127 O LEU A 158 -5.607 7.144 4.496 1.00 0.00 O ATOM 128 CB LEU A 158 -6.424 5.665 1.919 1.00 0.00 C ATOM 129 CG LEU A 158 -6.565 5.005 0.544 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.983 4.423 0.513 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.401 6.008 -0.603 1.00 0.00 C ATOM 0 H LEU A 158 -4.554 4.416 2.909 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.652 6.800 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.616 4.901 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.216 6.408 2.010 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.790 4.251 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -8.155 3.934 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -8.095 3.696 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.709 5.225 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.509 5.491 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -7.164 6.782 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.413 6.465 -0.548 1.00 0.00 H new ATOM 143 N CYS A 159 -5.497 8.717 2.920 1.00 0.00 N ATOM 144 CA CYS A 159 -5.970 9.769 3.809 1.00 0.00 C ATOM 145 C CYS A 159 -7.490 9.634 3.980 1.00 0.00 C ATOM 146 O CYS A 159 -8.250 9.987 3.069 1.00 0.00 O ATOM 147 CB CYS A 159 -5.635 11.132 3.202 1.00 0.00 C ATOM 148 SG CYS A 159 -6.000 12.502 4.334 1.00 0.00 S ATOM 0 H CYS A 159 -5.273 9.036 1.977 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.486 9.681 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.579 11.158 2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.201 11.265 2.280 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.905 13.152 4.596 1.00 0.00 H new ATOM 153 N ARG A 160 -7.983 9.023 5.069 1.00 0.00 N ATOM 154 CA ARG A 160 -9.410 8.671 5.190 1.00 0.00 C ATOM 155 C ARG A 160 -10.279 9.957 5.208 1.00 0.00 C ATOM 156 O ARG A 160 -11.307 10.001 4.537 1.00 0.00 O ATOM 157 CB ARG A 160 -9.637 7.874 6.481 1.00 0.00 C ATOM 158 CG ARG A 160 -8.830 6.569 6.491 1.00 0.00 C ATOM 159 CD ARG A 160 -9.139 5.722 7.731 1.00 0.00 C ATOM 160 NE ARG A 160 -8.385 4.453 7.708 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.293 4.147 8.391 1.00 0.00 C ATOM 162 NH1 ARG A 160 -6.739 4.959 9.251 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.717 2.988 8.219 1.00 0.00 N ATOM 0 H ARG A 160 -7.418 8.762 5.877 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.699 8.062 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.354 8.483 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.698 7.647 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.055 5.995 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.765 6.799 6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.886 6.283 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -10.208 5.513 7.776 1.00 0.00 H new ATOM 0 HE ARG A 160 -8.749 3.725 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -7.148 5.878 9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -5.897 4.675 9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -7.108 2.317 7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -5.876 2.753 8.746 1.00 0.00 H new ATOM 177 N PRO A 161 -9.903 11.041 5.944 1.00 0.00 N ATOM 178 CA PRO A 161 -10.719 12.266 5.986 1.00 0.00 C ATOM 179 C PRO A 161 -10.843 12.861 4.565 1.00 0.00 C ATOM 180 O PRO A 161 -11.920 13.333 4.186 1.00 0.00 O ATOM 181 CB PRO A 161 -10.058 13.283 6.918 1.00 0.00 C ATOM 182 CG PRO A 161 -8.638 12.757 7.067 1.00 0.00 C ATOM 183 CD PRO A 161 -8.762 11.250 6.842 1.00 0.00 C ATOM 0 HA PRO A 161 -11.715 12.026 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -10.072 14.286 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.569 13.338 7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.967 13.213 6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -8.234 12.979 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.848 10.849 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.916 10.731 7.788 1.00 0.00 H new ATOM 191 N PHE A 162 -9.795 12.807 3.720 1.00 0.00 N ATOM 192 CA PHE A 162 -9.882 13.296 2.336 1.00 0.00 C ATOM 193 C PHE A 162 -10.787 12.359 1.508 1.00 0.00 C ATOM 194 O PHE A 162 -11.606 12.831 0.726 1.00 0.00 O ATOM 195 CB PHE A 162 -8.479 13.331 1.717 1.00 0.00 C ATOM 196 CG PHE A 162 -8.449 13.938 0.327 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.361 15.334 0.172 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.542 13.113 -0.811 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.367 15.904 -1.114 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.553 13.684 -2.096 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.465 15.079 -2.248 1.00 0.00 C ATOM 0 H PHE A 162 -8.882 12.430 3.974 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.306 14.300 2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.817 13.901 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.085 12.316 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.289 15.969 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.605 12.041 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.296 16.975 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.629 13.050 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.473 15.516 -3.235 1.00 0.00 H new ATOM 211 N GLU A 163 -10.687 11.036 1.653 1.00 0.00 N ATOM 212 CA GLU A 163 -11.559 10.098 0.913 1.00 0.00 C ATOM 213 C GLU A 163 -13.031 10.267 1.377 1.00 0.00 C ATOM 214 O GLU A 163 -13.954 10.006 0.601 1.00 0.00 O ATOM 215 CB GLU A 163 -11.099 8.653 1.181 1.00 0.00 C ATOM 216 CG GLU A 163 -9.771 8.293 0.498 1.00 0.00 C ATOM 217 CD GLU A 163 -9.946 8.083 -1.011 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.260 6.937 -1.413 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.780 9.070 -1.767 1.00 0.00 O ATOM 0 H GLU A 163 -10.015 10.583 2.273 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.493 10.312 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.996 8.507 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.872 7.965 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -9.045 9.087 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.365 7.386 0.947 1.00 0.00 H new ATOM 226 N GLU A 164 -13.297 10.675 2.625 1.00 0.00 N ATOM 227 CA GLU A 164 -14.680 10.767 3.140 1.00 0.00 C ATOM 228 C GLU A 164 -15.304 12.127 2.747 1.00 0.00 C ATOM 229 O GLU A 164 -16.481 12.178 2.377 1.00 0.00 O ATOM 230 CB GLU A 164 -14.664 10.637 4.672 1.00 0.00 C ATOM 231 CG GLU A 164 -14.459 9.186 5.127 1.00 0.00 C ATOM 232 CD GLU A 164 -14.284 9.112 6.649 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.314 8.971 7.352 1.00 0.00 O ATOM 234 OE2 GLU A 164 -13.124 9.200 7.119 1.00 0.00 O ATOM 0 H GLU A 164 -12.580 10.947 3.298 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.275 9.963 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.868 11.260 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.603 11.014 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.314 8.581 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.582 8.766 4.635 1.00 0.00 H new ATOM 241 N SER A 165 -14.588 13.258 2.880 1.00 0.00 N ATOM 242 CA SER A 165 -15.210 14.607 2.726 1.00 0.00 C ATOM 243 C SER A 165 -14.564 15.363 1.544 1.00 0.00 C ATOM 244 O SER A 165 -15.037 16.441 1.174 1.00 0.00 O ATOM 245 CB SER A 165 -15.010 15.412 4.016 1.00 0.00 C ATOM 246 OG SER A 165 -15.688 14.805 5.107 1.00 0.00 O ATOM 0 H SER A 165 -13.590 13.277 3.091 1.00 0.00 H new ATOM 0 HA SER A 165 -16.275 14.484 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.946 15.486 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.378 16.428 3.875 1.00 0.00 H new ATOM 0 HG SER A 165 -15.544 15.336 5.918 1.00 0.00 H new ATOM 252 N GLY A 166 -13.514 14.836 0.900 1.00 0.00 N ATOM 253 CA GLY A 166 -12.921 15.478 -0.293 1.00 0.00 C ATOM 254 C GLY A 166 -12.047 16.677 0.130 1.00 0.00 C ATOM 255 O GLY A 166 -11.621 17.458 -0.726 1.00 0.00 O ATOM 0 H GLY A 166 -13.055 13.969 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.319 14.755 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.711 15.813 -0.966 1.00 0.00 H new ATOM 259 N THR A 167 -11.765 16.880 1.429 1.00 0.00 N ATOM 260 CA THR A 167 -10.950 18.027 1.889 1.00 0.00 C ATOM 261 C THR A 167 -9.966 17.562 2.965 1.00 0.00 C ATOM 262 O THR A 167 -10.245 16.592 3.679 1.00 0.00 O ATOM 263 CB THR A 167 -11.875 19.116 2.471 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.116 20.267 2.775 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.656 18.725 3.731 1.00 0.00 C ATOM 0 H THR A 167 -12.087 16.269 2.180 1.00 0.00 H new ATOM 0 HA THR A 167 -10.394 18.436 1.045 1.00 0.00 H new ATOM 0 HB THR A 167 -12.617 19.288 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.704 20.959 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.272 19.565 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.294 17.869 3.512 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.957 18.463 4.526 1.00 0.00 H new ATOM 273 N CYS A 168 -8.810 18.222 3.142 1.00 0.00 N ATOM 274 CA CYS A 168 -7.856 17.857 4.192 1.00 0.00 C ATOM 275 C CYS A 168 -7.156 19.125 4.712 1.00 0.00 C ATOM 276 O CYS A 168 -6.596 19.893 3.920 1.00 0.00 O ATOM 277 CB CYS A 168 -6.815 16.891 3.622 1.00 0.00 C ATOM 278 SG CYS A 168 -5.818 16.247 4.991 1.00 0.00 S ATOM 0 H CYS A 168 -8.517 19.012 2.568 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.385 17.374 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.306 16.074 3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.180 17.402 2.899 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.808 14.948 4.947 1.00 0.00 H new ATOM 283 N LYS A 169 -7.172 19.400 6.024 1.00 0.00 N ATOM 284 CA LYS A 169 -6.590 20.647 6.577 1.00 0.00 C ATOM 285 C LYS A 169 -5.060 20.619 6.446 1.00 0.00 C ATOM 286 O LYS A 169 -4.411 21.655 6.609 1.00 0.00 O ATOM 287 CB LYS A 169 -6.971 20.774 8.063 1.00 0.00 C ATOM 288 CG LYS A 169 -8.481 20.710 8.358 1.00 0.00 C ATOM 289 CD LYS A 169 -8.770 20.738 9.867 1.00 0.00 C ATOM 290 CE LYS A 169 -8.276 19.469 10.582 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.624 19.500 12.018 1.00 0.00 N ATOM 0 H LYS A 169 -7.579 18.782 6.726 1.00 0.00 H new ATOM 0 HA LYS A 169 -6.981 21.499 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.474 19.979 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.582 21.719 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.981 21.550 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.898 19.801 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.291 21.611 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.843 20.848 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.719 18.589 10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.196 19.380 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.280 18.633 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.181 20.328 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.657 19.561 12.124 1.00 0.00 H new ATOM 305 N TYR A 170 -4.434 19.475 6.158 1.00 0.00 N ATOM 306 CA TYR A 170 -2.972 19.399 6.030 1.00 0.00 C ATOM 307 C TYR A 170 -2.555 19.752 4.580 1.00 0.00 C ATOM 308 O TYR A 170 -1.412 20.155 4.348 1.00 0.00 O ATOM 309 CB TYR A 170 -2.504 17.983 6.373 1.00 0.00 C ATOM 310 CG TYR A 170 -2.556 17.723 7.870 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.782 17.448 8.510 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.383 17.851 8.638 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.840 17.340 9.914 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.439 17.749 10.041 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.669 17.498 10.685 1.00 0.00 C ATOM 316 OH TYR A 170 -2.731 17.408 12.042 1.00 0.00 O ATOM 0 H TYR A 170 -4.914 18.588 6.009 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.510 20.109 6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.131 17.257 5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.485 17.839 6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.679 17.320 7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.437 18.028 8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.782 17.136 10.401 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.538 17.863 10.626 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.836 17.540 12.420 1.00 0.00 H new ATOM 326 N GLY A 171 -3.462 19.685 3.590 1.00 0.00 N ATOM 327 CA GLY A 171 -3.172 20.158 2.223 1.00 0.00 C ATOM 328 C GLY A 171 -1.977 19.385 1.636 1.00 0.00 C ATOM 329 O GLY A 171 -1.893 18.165 1.788 1.00 0.00 O ATOM 0 H GLY A 171 -4.402 19.308 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.049 20.023 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.952 21.225 2.239 1.00 0.00 H new ATOM 333 N GLU A 172 -1.052 20.042 0.924 1.00 0.00 N ATOM 334 CA GLU A 172 0.079 19.349 0.260 1.00 0.00 C ATOM 335 C GLU A 172 1.069 18.814 1.316 1.00 0.00 C ATOM 336 O GLU A 172 2.005 18.086 0.969 1.00 0.00 O ATOM 337 CB GLU A 172 0.810 20.339 -0.667 1.00 0.00 C ATOM 338 CG GLU A 172 -0.055 20.914 -1.800 1.00 0.00 C ATOM 339 CD GLU A 172 -0.560 19.826 -2.758 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.207 19.446 -3.675 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.713 19.366 -2.573 1.00 0.00 O ATOM 0 H GLU A 172 -1.058 21.053 0.788 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.309 18.512 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.193 21.164 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.672 19.837 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.907 21.441 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.525 21.647 -2.360 1.00 0.00 H new ATOM 348 N LYS A 173 0.905 19.131 2.613 1.00 0.00 N ATOM 349 CA LYS A 173 1.829 18.651 3.662 1.00 0.00 C ATOM 350 C LYS A 173 1.225 17.422 4.367 1.00 0.00 C ATOM 351 O LYS A 173 1.822 16.899 5.313 1.00 0.00 O ATOM 352 CB LYS A 173 2.065 19.774 4.691 1.00 0.00 C ATOM 353 CG LYS A 173 2.724 21.004 4.036 1.00 0.00 C ATOM 354 CD LYS A 173 3.084 22.110 5.039 1.00 0.00 C ATOM 355 CE LYS A 173 1.874 22.688 5.783 1.00 0.00 C ATOM 356 NZ LYS A 173 0.915 23.344 4.869 1.00 0.00 N ATOM 0 H LYS A 173 0.145 19.715 2.961 1.00 0.00 H new ATOM 0 HA LYS A 173 2.778 18.370 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.115 20.064 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.699 19.405 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.628 20.688 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.048 21.412 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 173 3.790 21.711 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.593 22.916 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 173 1.368 21.889 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 173 2.217 23.409 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 0.131 23.749 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 1.398 24.102 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 0.540 22.643 4.198 1.00 0.00 H new ATOM 370 N CYS A 174 0.056 16.912 3.942 1.00 0.00 N ATOM 371 CA CYS A 174 -0.555 15.742 4.573 1.00 0.00 C ATOM 372 C CYS A 174 0.369 14.525 4.411 1.00 0.00 C ATOM 373 O CYS A 174 0.853 14.253 3.305 1.00 0.00 O ATOM 374 CB CYS A 174 -1.905 15.453 3.917 1.00 0.00 C ATOM 375 SG CYS A 174 -2.740 14.193 4.919 1.00 0.00 S ATOM 0 H CYS A 174 -0.480 17.296 3.164 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.704 15.941 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.507 16.360 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.767 15.100 2.895 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.889 14.649 5.321 1.00 0.00 H new ATOM 380 N GLN A 175 0.669 13.785 5.477 1.00 0.00 N ATOM 381 CA GLN A 175 1.581 12.648 5.406 1.00 0.00 C ATOM 382 C GLN A 175 0.828 11.397 4.888 1.00 0.00 C ATOM 383 O GLN A 175 1.379 10.300 4.912 1.00 0.00 O ATOM 384 CB GLN A 175 2.147 12.363 6.810 1.00 0.00 C ATOM 385 CG GLN A 175 2.865 13.562 7.456 1.00 0.00 C ATOM 386 CD GLN A 175 4.083 14.028 6.663 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.144 13.418 6.689 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.998 15.118 5.930 1.00 0.00 N ATOM 0 H GLN A 175 0.289 13.956 6.408 1.00 0.00 H new ATOM 0 HA GLN A 175 2.396 12.882 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.332 12.048 7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.844 11.528 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.163 14.390 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.177 13.291 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.123 15.641 5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.807 15.439 5.398 1.00 0.00 H new ATOM 397 N PHE A 176 -0.433 11.510 4.432 1.00 0.00 N ATOM 398 CA PHE A 176 -1.218 10.336 3.985 1.00 0.00 C ATOM 399 C PHE A 176 -1.627 10.513 2.506 1.00 0.00 C ATOM 400 O PHE A 176 -1.520 11.615 1.961 1.00 0.00 O ATOM 401 CB PHE A 176 -2.474 10.199 4.856 1.00 0.00 C ATOM 402 CG PHE A 176 -2.165 9.830 6.298 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.780 10.818 7.226 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.221 8.484 6.703 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.437 10.459 8.542 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.881 8.124 8.019 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.486 9.113 8.937 1.00 0.00 C ATOM 0 H PHE A 176 -0.932 12.397 4.362 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.610 9.437 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -3.025 11.139 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.126 9.439 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.748 11.855 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.527 7.723 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.136 11.219 9.248 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.923 7.089 8.324 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.220 8.837 9.947 1.00 0.00 H new ATOM 417 N ALA A 177 -2.015 9.447 1.797 1.00 0.00 N ATOM 418 CA ALA A 177 -2.233 9.508 0.344 1.00 0.00 C ATOM 419 C ALA A 177 -3.600 10.159 0.044 1.00 0.00 C ATOM 420 O ALA A 177 -4.641 9.578 0.361 1.00 0.00 O ATOM 421 CB ALA A 177 -2.205 8.086 -0.231 1.00 0.00 C ATOM 0 H ALA A 177 -2.185 8.528 2.206 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.446 10.106 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.366 8.126 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.237 7.630 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.992 7.491 0.232 1.00 0.00 H new ATOM 427 N HIS A 178 -3.655 11.300 -0.654 1.00 0.00 N ATOM 428 CA HIS A 178 -4.931 11.853 -1.141 1.00 0.00 C ATOM 429 C HIS A 178 -5.336 11.140 -2.451 1.00 0.00 C ATOM 430 O HIS A 178 -6.527 11.044 -2.755 1.00 0.00 O ATOM 431 CB HIS A 178 -4.772 13.365 -1.401 1.00 0.00 C ATOM 432 CG HIS A 178 -4.610 14.210 -0.155 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.328 15.560 -0.113 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.768 13.792 1.138 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.321 15.937 1.180 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.592 14.891 1.976 1.00 0.00 N ATOM 0 H HIS A 178 -2.836 11.858 -0.895 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.705 11.696 -0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.905 13.520 -2.043 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.644 13.718 -1.952 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.991 12.784 1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.125 16.941 1.528 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.656 14.899 2.994 1.00 0.00 H new ATOM 444 N GLY A 179 -4.394 10.589 -3.232 1.00 0.00 N ATOM 445 CA GLY A 179 -4.730 9.805 -4.437 1.00 0.00 C ATOM 446 C GLY A 179 -3.959 8.479 -4.423 1.00 0.00 C ATOM 447 O GLY A 179 -2.838 8.422 -3.912 1.00 0.00 O ATOM 0 H GLY A 179 -3.393 10.670 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.802 9.613 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.480 10.373 -5.333 1.00 0.00 H new ATOM 724 N GLU A 195 3.163 -16.330 10.159 1.00 0.00 N ATOM 725 CA GLU A 195 2.691 -17.034 11.372 1.00 0.00 C ATOM 726 C GLU A 195 1.346 -16.426 11.838 1.00 0.00 C ATOM 727 O GLU A 195 1.049 -15.267 11.527 1.00 0.00 O ATOM 728 CB GLU A 195 3.739 -16.891 12.491 1.00 0.00 C ATOM 729 CG GLU A 195 4.978 -17.745 12.176 1.00 0.00 C ATOM 730 CD GLU A 195 6.018 -17.699 13.301 1.00 0.00 C ATOM 731 OE1 GLU A 195 6.804 -16.723 13.331 1.00 0.00 O ATOM 732 OE2 GLU A 195 6.055 -18.660 14.107 1.00 0.00 O ATOM 0 HA GLU A 195 2.548 -18.090 11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.027 -15.845 12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.308 -17.201 13.443 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.672 -18.778 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.432 -17.394 11.250 1.00 0.00 H new ATOM 739 N LEU A 196 0.489 -17.176 12.549 1.00 0.00 N ATOM 740 CA LEU A 196 -0.850 -16.688 12.940 1.00 0.00 C ATOM 741 C LEU A 196 -0.716 -15.543 13.959 1.00 0.00 C ATOM 742 O LEU A 196 0.036 -15.666 14.934 1.00 0.00 O ATOM 743 CB LEU A 196 -1.654 -17.843 13.570 1.00 0.00 C ATOM 744 CG LEU A 196 -1.879 -19.066 12.658 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.740 -20.096 13.389 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.567 -18.710 11.338 1.00 0.00 C ATOM 0 H LEU A 196 0.696 -18.123 12.866 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.368 -16.320 12.054 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.138 -18.173 14.471 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.626 -17.459 13.881 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.893 -19.466 12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.899 -20.960 12.744 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.234 -20.412 14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.702 -19.651 13.643 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.697 -19.612 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.542 -18.267 11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.953 -17.997 10.788 1.00 0.00 H new ATOM 758 N CYS A 197 -1.463 -14.444 13.818 1.00 0.00 N ATOM 759 CA CYS A 197 -1.461 -13.365 14.808 1.00 0.00 C ATOM 760 C CYS A 197 -2.123 -13.853 16.103 1.00 0.00 C ATOM 761 O CYS A 197 -3.312 -14.193 16.106 1.00 0.00 O ATOM 762 CB CYS A 197 -2.232 -12.162 14.251 1.00 0.00 C ATOM 763 SG CYS A 197 -2.305 -10.773 15.417 1.00 0.00 S ATOM 0 H CYS A 197 -2.080 -14.279 13.023 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.434 -13.068 15.022 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.760 -11.830 13.326 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.246 -12.472 13.998 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.755 -9.725 14.879 1.00 0.00 H new ATOM 768 N ARG A 198 -1.399 -13.919 17.221 1.00 0.00 N ATOM 769 CA ARG A 198 -1.957 -14.415 18.499 1.00 0.00 C ATOM 770 C ARG A 198 -3.160 -13.567 18.903 1.00 0.00 C ATOM 771 O ARG A 198 -4.209 -14.113 19.226 1.00 0.00 O ATOM 772 CB ARG A 198 -0.881 -14.337 19.597 1.00 0.00 C ATOM 773 CG ARG A 198 0.265 -15.347 19.448 1.00 0.00 C ATOM 774 CD ARG A 198 -0.213 -16.805 19.446 1.00 0.00 C ATOM 775 NE ARG A 198 0.923 -17.731 19.593 1.00 0.00 N ATOM 776 CZ ARG A 198 1.045 -18.950 19.096 1.00 0.00 C ATOM 777 NH1 ARG A 198 0.129 -19.508 18.348 1.00 0.00 N ATOM 778 NH2 ARG A 198 2.119 -19.647 19.346 1.00 0.00 N ATOM 0 H ARG A 198 -0.421 -13.636 17.277 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.274 -15.450 18.373 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.461 -13.331 19.604 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.358 -14.490 20.565 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.800 -15.145 18.520 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.975 -15.205 20.263 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.922 -16.961 20.259 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.742 -17.017 18.517 1.00 0.00 H new ATOM 0 HE ARG A 198 1.711 -17.391 20.145 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -0.726 -18.999 18.124 1.00 0.00 H new ATOM 0 HH12 ARG A 198 0.270 -20.452 17.988 1.00 0.00 H new ATOM 0 HH21 ARG A 198 2.861 -19.251 19.923 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.217 -20.588 18.964 1.00 0.00 H new ATOM 792 N THR A 199 -3.062 -12.233 18.926 1.00 0.00 N ATOM 793 CA THR A 199 -4.176 -11.368 19.372 1.00 0.00 C ATOM 794 C THR A 199 -5.420 -11.619 18.500 1.00 0.00 C ATOM 795 O THR A 199 -6.506 -11.833 19.037 1.00 0.00 O ATOM 796 CB THR A 199 -3.758 -9.889 19.263 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.437 -9.722 19.745 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.636 -8.982 20.121 1.00 0.00 C ATOM 0 H THR A 199 -2.226 -11.723 18.642 1.00 0.00 H new ATOM 0 HA THR A 199 -4.415 -11.602 20.409 1.00 0.00 H new ATOM 0 HB THR A 199 -3.851 -9.621 18.211 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.178 -8.780 19.671 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.306 -7.949 20.014 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.673 -9.067 19.797 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.557 -9.282 21.166 1.00 0.00 H new ATOM 806 N PHE A 200 -5.318 -11.646 17.165 1.00 0.00 N ATOM 807 CA PHE A 200 -6.499 -11.849 16.301 1.00 0.00 C ATOM 808 C PHE A 200 -7.047 -13.284 16.486 1.00 0.00 C ATOM 809 O PHE A 200 -8.262 -13.471 16.556 1.00 0.00 O ATOM 810 CB PHE A 200 -6.109 -11.627 14.835 1.00 0.00 C ATOM 811 CG PHE A 200 -7.277 -11.631 13.872 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.982 -10.438 13.626 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.666 -12.822 13.227 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.077 -10.437 12.745 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.761 -12.819 12.345 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.468 -11.628 12.106 1.00 0.00 C ATOM 0 H PHE A 200 -4.440 -11.531 16.659 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.274 -11.135 16.580 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.587 -10.674 14.750 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.405 -12.404 14.537 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.681 -9.523 14.114 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.123 -13.737 13.410 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.619 -9.521 12.558 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.059 -13.732 11.851 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.312 -11.627 11.432 1.00 0.00 H new ATOM 826 N HIS A 201 -6.208 -14.309 16.609 1.00 0.00 N ATOM 827 CA HIS A 201 -6.689 -15.702 16.795 1.00 0.00 C ATOM 828 C HIS A 201 -7.075 -15.944 18.289 1.00 0.00 C ATOM 829 O HIS A 201 -7.577 -17.020 18.624 1.00 0.00 O ATOM 830 CB HIS A 201 -5.582 -16.685 16.380 1.00 0.00 C ATOM 831 CG HIS A 201 -5.523 -16.820 14.873 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.048 -17.891 14.145 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.111 -15.858 13.994 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.939 -17.553 12.849 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.381 -16.335 12.731 1.00 0.00 N ATOM 0 H HIS A 201 -5.192 -14.216 16.585 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.571 -15.861 16.174 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.620 -16.337 16.757 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.767 -17.660 16.830 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.661 -14.908 14.242 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.254 -18.171 12.021 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.190 -15.848 11.855 1.00 0.00 H new ATOM 843 N THR A 202 -6.929 -14.959 19.193 1.00 0.00 N ATOM 844 CA THR A 202 -7.355 -15.118 20.615 1.00 0.00 C ATOM 845 C THR A 202 -8.539 -14.184 20.913 1.00 0.00 C ATOM 846 O THR A 202 -9.627 -14.659 21.244 1.00 0.00 O ATOM 847 CB THR A 202 -6.179 -14.777 21.553 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.102 -15.654 21.313 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.543 -14.941 23.031 1.00 0.00 C ATOM 0 H THR A 202 -6.524 -14.048 18.977 1.00 0.00 H new ATOM 0 HA THR A 202 -7.662 -16.151 20.781 1.00 0.00 H new ATOM 0 HB THR A 202 -5.921 -13.738 21.349 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.573 -15.323 20.558 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.681 -14.689 23.648 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.372 -14.278 23.277 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.836 -15.974 23.221 1.00 0.00 H new ATOM 857 N ILE A 203 -8.384 -12.855 20.825 1.00 0.00 N ATOM 858 CA ILE A 203 -9.480 -11.914 21.147 1.00 0.00 C ATOM 859 C ILE A 203 -10.474 -11.850 19.966 1.00 0.00 C ATOM 860 O ILE A 203 -11.576 -11.319 20.116 1.00 0.00 O ATOM 861 CB ILE A 203 -8.890 -10.493 21.411 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.551 -10.530 22.194 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.913 -9.658 22.206 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.020 -9.182 22.704 1.00 0.00 C ATOM 0 H ILE A 203 -7.516 -12.404 20.535 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.001 -12.261 22.039 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.686 -10.045 20.439 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.674 -11.194 23.049 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.792 -10.975 21.551 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.505 -8.665 22.393 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.835 -9.570 21.632 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.123 -10.149 23.156 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.081 -9.338 23.234 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.853 -8.514 21.859 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.749 -8.736 23.381 1.00 0.00 H new ATOM 876 N GLY A 204 -10.122 -12.345 18.767 1.00 0.00 N ATOM 877 CA GLY A 204 -10.966 -12.170 17.571 1.00 0.00 C ATOM 878 C GLY A 204 -10.700 -10.786 16.949 1.00 0.00 C ATOM 879 O GLY A 204 -11.360 -10.409 15.977 1.00 0.00 O ATOM 0 H GLY A 204 -9.262 -12.868 18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.752 -12.954 16.844 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.018 -12.263 17.839 1.00 0.00 H new ATOM 883 N PHE A 205 -9.758 -9.988 17.480 1.00 0.00 N ATOM 884 CA PHE A 205 -9.481 -8.644 16.962 1.00 0.00 C ATOM 885 C PHE A 205 -7.983 -8.324 17.137 1.00 0.00 C ATOM 886 O PHE A 205 -7.290 -9.016 17.886 1.00 0.00 O ATOM 887 CB PHE A 205 -10.321 -7.616 17.739 1.00 0.00 C ATOM 888 CG PHE A 205 -10.140 -6.175 17.294 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.514 -5.785 15.993 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.545 -5.235 18.159 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.292 -4.465 15.560 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.324 -3.916 17.726 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.697 -3.531 16.426 1.00 0.00 C ATOM 0 H PHE A 205 -9.174 -10.256 18.272 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.739 -8.600 15.904 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.374 -7.881 17.642 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.070 -7.689 18.797 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.972 -6.501 15.327 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.258 -5.529 19.158 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.579 -4.169 14.562 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.868 -3.198 18.392 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.526 -2.518 16.093 1.00 0.00 H new ATOM 903 N CYS A 206 -7.450 -7.262 16.515 1.00 0.00 N ATOM 904 CA CYS A 206 -6.045 -6.877 16.695 1.00 0.00 C ATOM 905 C CYS A 206 -5.920 -5.339 16.630 1.00 0.00 C ATOM 906 O CYS A 206 -6.447 -4.715 15.699 1.00 0.00 O ATOM 907 CB CYS A 206 -5.202 -7.510 15.589 1.00 0.00 C ATOM 908 SG CYS A 206 -3.439 -7.188 15.848 1.00 0.00 S ATOM 0 H CYS A 206 -7.972 -6.655 15.883 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.691 -7.226 17.665 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.379 -8.585 15.563 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.509 -7.113 14.621 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.792 -8.315 15.879 1.00 0.00 H new ATOM 913 N PRO A 207 -5.246 -4.676 17.595 1.00 0.00 N ATOM 914 CA PRO A 207 -5.188 -3.218 17.646 1.00 0.00 C ATOM 915 C PRO A 207 -4.313 -2.682 16.495 1.00 0.00 C ATOM 916 O PRO A 207 -4.363 -1.487 16.190 1.00 0.00 O ATOM 917 CB PRO A 207 -4.589 -2.793 18.987 1.00 0.00 C ATOM 918 CG PRO A 207 -3.792 -4.042 19.380 1.00 0.00 C ATOM 919 CD PRO A 207 -4.572 -5.214 18.767 1.00 0.00 C ATOM 0 HA PRO A 207 -6.193 -2.810 17.541 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.952 -1.914 18.891 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.358 -2.550 19.720 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.774 -3.999 18.993 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.718 -4.139 20.463 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.901 -6.028 18.492 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.291 -5.620 19.479 1.00 0.00 H new ATOM 927 N TYR A 208 -3.517 -3.521 15.807 1.00 0.00 N ATOM 928 CA TYR A 208 -2.693 -3.061 14.675 1.00 0.00 C ATOM 929 C TYR A 208 -3.541 -3.061 13.383 1.00 0.00 C ATOM 930 O TYR A 208 -3.186 -2.387 12.412 1.00 0.00 O ATOM 931 CB TYR A 208 -1.483 -3.998 14.501 1.00 0.00 C ATOM 932 CG TYR A 208 -0.484 -3.990 15.650 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.740 -4.717 16.831 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.721 -3.270 15.529 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.180 -4.697 17.896 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.646 -3.252 16.590 1.00 0.00 C ATOM 937 CZ TYR A 208 1.377 -3.959 17.781 1.00 0.00 C ATOM 938 OH TYR A 208 2.264 -3.939 18.815 1.00 0.00 O ATOM 0 H TYR A 208 -3.427 -4.516 16.014 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.339 -2.049 14.874 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.849 -5.016 14.366 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -0.960 -3.723 13.585 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.649 -5.294 16.919 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.936 -2.730 14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.030 -5.247 18.802 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.566 -2.694 16.492 1.00 0.00 H new ATOM 0 HH TYR A 208 3.036 -3.386 18.573 1.00 0.00 H new ATOM 948 N GLY A 209 -4.693 -3.747 13.343 1.00 0.00 N ATOM 949 CA GLY A 209 -5.592 -3.703 12.177 1.00 0.00 C ATOM 950 C GLY A 209 -4.872 -4.274 10.937 1.00 0.00 C ATOM 951 O GLY A 209 -4.101 -5.232 11.056 1.00 0.00 O ATOM 0 H GLY A 209 -5.025 -4.339 14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.495 -4.278 12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.905 -2.676 11.986 1.00 0.00 H new ATOM 955 N PRO A 210 -5.099 -3.736 9.721 1.00 0.00 N ATOM 956 CA PRO A 210 -4.496 -4.276 8.501 1.00 0.00 C ATOM 957 C PRO A 210 -2.972 -4.005 8.499 1.00 0.00 C ATOM 958 O PRO A 210 -2.245 -4.587 7.689 1.00 0.00 O ATOM 959 CB PRO A 210 -5.140 -3.599 7.291 1.00 0.00 C ATOM 960 CG PRO A 210 -5.626 -2.281 7.904 1.00 0.00 C ATOM 961 CD PRO A 210 -5.965 -2.621 9.363 1.00 0.00 C ATOM 0 HA PRO A 210 -4.661 -5.352 8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.427 -3.438 6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.960 -4.187 6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -4.856 -1.512 7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.499 -1.898 7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.790 -1.765 10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.016 -2.892 9.468 1.00 0.00 H new ATOM 969 N ARG A 211 -2.437 -3.151 9.396 1.00 0.00 N ATOM 970 CA ARG A 211 -0.984 -2.877 9.452 1.00 0.00 C ATOM 971 C ARG A 211 -0.267 -4.010 10.215 1.00 0.00 C ATOM 972 O ARG A 211 0.960 -3.985 10.339 1.00 0.00 O ATOM 973 CB ARG A 211 -0.740 -1.542 10.175 1.00 0.00 C ATOM 974 CG ARG A 211 -1.452 -0.300 9.611 1.00 0.00 C ATOM 975 CD ARG A 211 -1.254 0.822 10.635 1.00 0.00 C ATOM 976 NE ARG A 211 -1.817 2.115 10.221 1.00 0.00 N ATOM 977 CZ ARG A 211 -1.816 3.201 10.976 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.329 3.202 12.189 1.00 0.00 N ATOM 979 NH2 ARG A 211 -2.312 4.326 10.542 1.00 0.00 N ATOM 0 H ARG A 211 -2.985 -2.641 10.089 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.591 -2.821 8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.041 -1.661 11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.332 -1.347 10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.034 -0.020 8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.512 -0.499 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -1.711 0.524 11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -0.187 0.945 10.822 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.235 2.179 9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -0.934 2.347 12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.344 4.058 12.744 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -2.710 4.380 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -2.302 5.152 11.140 1.00 0.00 H new ATOM 993 N CYS A 212 -0.985 -5.004 10.780 1.00 0.00 N ATOM 994 CA CYS A 212 -0.359 -6.060 11.580 1.00 0.00 C ATOM 995 C CYS A 212 0.597 -6.886 10.699 1.00 0.00 C ATOM 996 O CYS A 212 0.300 -7.134 9.522 1.00 0.00 O ATOM 997 CB CYS A 212 -1.442 -6.973 12.157 1.00 0.00 C ATOM 998 SG CYS A 212 -0.697 -8.040 13.424 1.00 0.00 S ATOM 0 H CYS A 212 -1.998 -5.091 10.693 1.00 0.00 H new ATOM 0 HA CYS A 212 0.207 -5.607 12.394 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.246 -6.378 12.590 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.885 -7.579 11.367 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.320 -7.874 14.553 1.00 0.00 H new ATOM 1003 N HIS A 213 1.741 -7.338 11.214 1.00 0.00 N ATOM 1004 CA HIS A 213 2.717 -8.083 10.415 1.00 0.00 C ATOM 1005 C HIS A 213 2.464 -9.595 10.549 1.00 0.00 C ATOM 1006 O HIS A 213 3.298 -10.392 10.125 1.00 0.00 O ATOM 1007 CB HIS A 213 4.138 -7.755 10.910 1.00 0.00 C ATOM 1008 CG HIS A 213 4.585 -6.347 10.605 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.502 -5.989 9.613 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.177 -5.222 11.259 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.626 -4.654 9.693 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.842 -4.168 10.672 1.00 0.00 N ATOM 0 H HIS A 213 2.016 -7.200 12.186 1.00 0.00 H new ATOM 0 HA HIS A 213 2.616 -7.797 9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.182 -7.914 11.988 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.840 -8.454 10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.472 -5.168 12.075 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.265 -4.055 9.061 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.755 -3.186 10.935 1.00 0.00 H new ATOM 1020 N PHE A 214 1.336 -10.045 11.136 1.00 0.00 N ATOM 1021 CA PHE A 214 1.077 -11.488 11.324 1.00 0.00 C ATOM 1022 C PHE A 214 -0.280 -11.870 10.674 1.00 0.00 C ATOM 1023 O PHE A 214 -1.099 -10.991 10.385 1.00 0.00 O ATOM 1024 CB PHE A 214 1.046 -11.810 12.822 1.00 0.00 C ATOM 1025 CG PHE A 214 2.421 -11.702 13.456 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.934 -10.449 13.847 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.217 -12.854 13.595 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.243 -10.346 14.350 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.521 -12.755 14.111 1.00 0.00 C ATOM 1030 CZ PHE A 214 5.035 -11.500 14.479 1.00 0.00 C ATOM 0 H PHE A 214 0.596 -9.436 11.485 1.00 0.00 H new ATOM 0 HA PHE A 214 1.871 -12.062 10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.360 -11.128 13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.658 -12.818 12.968 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.320 -9.565 13.760 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.825 -13.817 13.304 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.639 -9.383 14.636 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.127 -13.642 14.224 1.00 0.00 H new ATOM 0 HZ PHE A 214 6.042 -11.422 14.862 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.530 -13.153 10.365 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.734 -13.564 9.600 1.00 0.00 C ATOM 1042 C ILE A 215 -2.992 -13.353 10.452 1.00 0.00 C ATOM 1043 O ILE A 215 -3.141 -13.984 11.502 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.619 -15.064 9.213 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.363 -15.359 8.367 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.881 -15.513 8.443 1.00 0.00 C ATOM 1047 CD1 ILE A 215 -0.062 -16.853 8.188 1.00 0.00 C ATOM 0 H ILE A 215 0.080 -13.927 10.629 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.805 -12.958 8.697 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.530 -15.627 10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.486 -14.904 7.384 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.497 -14.880 8.835 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.789 -16.566 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.760 -15.373 9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.985 -14.917 7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.836 -16.973 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.095 -17.312 9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.903 -17.337 7.691 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.963 -12.554 10.004 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.267 -12.460 10.670 1.00 0.00 C ATOM 1061 C HIS A 216 -6.217 -13.534 10.091 1.00 0.00 C ATOM 1062 O HIS A 216 -6.177 -14.687 10.523 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.863 -11.054 10.441 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.228 -9.972 11.279 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.616 -8.651 11.312 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.235 -10.133 12.207 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.877 -8.036 12.251 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.039 -8.906 12.833 1.00 0.00 N ATOM 0 H HIS A 216 -3.872 -11.960 9.180 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.145 -12.626 11.740 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.756 -10.793 9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.931 -11.085 10.655 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.700 -11.048 12.416 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.948 -6.988 12.502 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.384 -8.707 13.589 1.00 0.00 H new