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 122:sc= 0.623 USER MOD Set 1.2: A 206 CYS SG : rot 123:sc= 0.514 USER MOD Set 1.3: A 212 CYS SG : rot 124:sc= 0.535 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.595 X(o=1.1,f=0.93) USER MOD Set 2.1: A 159 CYS SG : rot 119:sc= 0.553 USER MOD Set 2.2: A 168 CYS SG : rot 126:sc= 0.476 USER MOD Set 2.3: A 174 CYS SG : rot -19:sc= 0.586 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.342 X(o=1.3,f=0.83) 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+ -174:sc= 0 (180deg=-0.022) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 172:sc=-0.00135 (180deg=-0.0903) USER MOD Single : A 175 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 201 HIS : no HD1:sc= 0.371 K(o=0.37,f=-1.5!) USER MOD Single : A 202 THR OG1 : rot 85:sc= 0.882 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 3.191 9.226 2.670 1.00 0.00 N ATOM 74 CA LYS A 155 2.213 8.905 1.584 1.00 0.00 C ATOM 75 C LYS A 155 2.273 7.394 1.236 1.00 0.00 C ATOM 76 O LYS A 155 1.978 7.012 0.104 1.00 0.00 O ATOM 77 CB LYS A 155 2.531 9.757 0.327 1.00 0.00 C ATOM 78 CG LYS A 155 2.221 11.222 0.699 1.00 0.00 C ATOM 79 CD LYS A 155 2.037 12.158 -0.498 1.00 0.00 C ATOM 80 CE LYS A 155 1.570 13.522 0.022 1.00 0.00 C ATOM 81 NZ LYS A 155 1.552 14.540 -1.048 1.00 0.00 N ATOM 0 HA LYS A 155 1.207 9.141 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.575 9.644 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.927 9.436 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.315 11.245 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 155 3.030 11.604 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.974 12.261 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.305 11.746 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.572 13.426 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.230 13.850 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.231 15.449 -0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.510 14.650 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.903 14.239 -1.803 1.00 0.00 H new ATOM 95 N THR A 156 2.558 6.503 2.185 1.00 0.00 N ATOM 96 CA THR A 156 2.449 5.037 1.950 1.00 0.00 C ATOM 97 C THR A 156 1.045 4.553 2.331 1.00 0.00 C ATOM 98 O THR A 156 0.681 3.415 2.026 1.00 0.00 O ATOM 99 CB THR A 156 3.489 4.298 2.801 1.00 0.00 C ATOM 100 OG1 THR A 156 3.345 4.552 4.183 1.00 0.00 O ATOM 101 CG2 THR A 156 4.918 4.613 2.360 1.00 0.00 C ATOM 0 H THR A 156 2.866 6.755 3.124 1.00 0.00 H new ATOM 0 HA THR A 156 2.629 4.832 0.895 1.00 0.00 H new ATOM 0 HB THR A 156 3.300 3.237 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 156 4.030 4.057 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.622 4.068 2.990 1.00 0.00 H new ATOM 0 HG22 THR A 156 5.053 4.312 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 156 5.100 5.684 2.454 1.00 0.00 H new ATOM 109 N GLU A 157 0.207 5.380 2.974 1.00 0.00 N ATOM 110 CA GLU A 157 -1.159 4.979 3.366 1.00 0.00 C ATOM 111 C GLU A 157 -2.168 6.028 2.870 1.00 0.00 C ATOM 112 O GLU A 157 -1.834 7.217 2.781 1.00 0.00 O ATOM 113 CB GLU A 157 -1.239 4.867 4.899 1.00 0.00 C ATOM 114 CG GLU A 157 -2.522 4.202 5.412 1.00 0.00 C ATOM 115 CD GLU A 157 -2.605 4.146 6.946 1.00 0.00 C ATOM 116 OE1 GLU A 157 -1.551 4.025 7.612 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.751 4.215 7.454 1.00 0.00 O ATOM 0 H GLU A 157 0.450 6.335 3.236 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.397 4.014 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.380 4.299 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.163 5.865 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.384 4.747 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -2.582 3.189 5.014 1.00 0.00 H new ATOM 124 N LEU A 158 -3.402 5.644 2.506 1.00 0.00 N ATOM 125 CA LEU A 158 -4.402 6.594 1.989 1.00 0.00 C ATOM 126 C LEU A 158 -4.753 7.624 3.067 1.00 0.00 C ATOM 127 O LEU A 158 -4.982 7.256 4.222 1.00 0.00 O ATOM 128 CB LEU A 158 -5.676 5.831 1.590 1.00 0.00 C ATOM 129 CG LEU A 158 -5.751 5.185 0.203 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.110 4.478 0.152 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.677 6.220 -0.926 1.00 0.00 C ATOM 0 H LEU A 158 -3.732 4.680 2.560 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.988 7.106 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -5.833 5.045 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.514 6.522 1.677 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.909 4.508 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.231 3.992 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.160 3.729 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -7.906 5.209 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.734 5.713 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.508 6.919 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.736 6.765 -0.859 1.00 0.00 H new ATOM 143 N CYS A 159 -4.940 8.901 2.719 1.00 0.00 N ATOM 144 CA CYS A 159 -5.484 9.884 3.646 1.00 0.00 C ATOM 145 C CYS A 159 -6.991 9.645 3.799 1.00 0.00 C ATOM 146 O CYS A 159 -7.766 9.971 2.890 1.00 0.00 O ATOM 147 CB CYS A 159 -5.234 11.290 3.095 1.00 0.00 C ATOM 148 SG CYS A 159 -5.688 12.595 4.272 1.00 0.00 S ATOM 0 H CYS A 159 -4.720 9.274 1.796 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.000 9.789 4.618 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.180 11.392 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.804 11.422 2.175 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.638 13.307 4.557 1.00 0.00 H new ATOM 153 N ARG A 160 -7.452 8.975 4.866 1.00 0.00 N ATOM 154 CA ARG A 160 -8.854 8.527 4.960 1.00 0.00 C ATOM 155 C ARG A 160 -9.795 9.751 5.099 1.00 0.00 C ATOM 156 O ARG A 160 -10.851 9.777 4.473 1.00 0.00 O ATOM 157 CB ARG A 160 -9.021 7.602 6.175 1.00 0.00 C ATOM 158 CG ARG A 160 -8.148 6.342 6.050 1.00 0.00 C ATOM 159 CD ARG A 160 -8.174 5.497 7.329 1.00 0.00 C ATOM 160 NE ARG A 160 -7.125 4.461 7.302 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.184 3.258 6.756 1.00 0.00 C ATOM 162 NH1 ARG A 160 -8.263 2.786 6.189 1.00 0.00 N ATOM 163 NH2 ARG A 160 -6.126 2.496 6.769 1.00 0.00 N ATOM 0 H ARG A 160 -6.879 8.731 5.674 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.115 7.982 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -8.754 8.142 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.067 7.313 6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.497 5.741 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.121 6.633 5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.031 6.141 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -9.151 5.027 7.438 1.00 0.00 H new ATOM 0 HE ARG A 160 -6.246 4.702 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.110 3.353 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -8.258 1.851 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -5.263 2.829 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -6.162 1.567 6.350 1.00 0.00 H new ATOM 177 N PRO A 161 -9.434 10.816 5.863 1.00 0.00 N ATOM 178 CA PRO A 161 -10.260 12.031 5.947 1.00 0.00 C ATOM 179 C PRO A 161 -10.503 12.600 4.530 1.00 0.00 C ATOM 180 O PRO A 161 -11.627 13.002 4.212 1.00 0.00 O ATOM 181 CB PRO A 161 -9.532 13.073 6.801 1.00 0.00 C ATOM 182 CG PRO A 161 -8.618 12.189 7.647 1.00 0.00 C ATOM 183 CD PRO A 161 -8.265 11.029 6.714 1.00 0.00 C ATOM 0 HA PRO A 161 -11.221 11.788 6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -8.969 13.781 6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.221 13.655 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.727 12.728 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.122 11.839 8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.386 11.266 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.030 10.130 7.283 1.00 0.00 H new ATOM 191 N PHE A 162 -9.500 12.612 3.633 1.00 0.00 N ATOM 192 CA PHE A 162 -9.683 13.115 2.263 1.00 0.00 C ATOM 193 C PHE A 162 -10.555 12.129 1.457 1.00 0.00 C ATOM 194 O PHE A 162 -11.437 12.556 0.717 1.00 0.00 O ATOM 195 CB PHE A 162 -8.314 13.262 1.585 1.00 0.00 C ATOM 196 CG PHE A 162 -8.378 13.954 0.237 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.362 15.361 0.171 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.474 13.200 -0.948 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.443 16.010 -1.074 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.557 13.850 -2.193 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.541 15.254 -2.256 1.00 0.00 C ATOM 0 H PHE A 162 -8.557 12.279 3.834 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.178 14.085 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.650 13.824 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -7.873 12.274 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.287 15.942 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.484 12.121 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.430 17.089 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.633 13.270 -3.101 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.604 15.752 -3.212 1.00 0.00 H new ATOM 211 N GLU A 163 -10.360 10.814 1.576 1.00 0.00 N ATOM 212 CA GLU A 163 -11.192 9.828 0.851 1.00 0.00 C ATOM 213 C GLU A 163 -12.659 9.900 1.359 1.00 0.00 C ATOM 214 O GLU A 163 -13.588 9.596 0.605 1.00 0.00 O ATOM 215 CB GLU A 163 -10.635 8.413 1.091 1.00 0.00 C ATOM 216 CG GLU A 163 -9.298 8.149 0.380 1.00 0.00 C ATOM 217 CD GLU A 163 -9.482 7.986 -1.134 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.764 6.845 -1.572 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.356 9.003 -1.857 1.00 0.00 O ATOM 0 H GLU A 163 -9.637 10.399 2.164 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.170 10.054 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.504 8.260 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.368 7.681 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.613 8.973 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -8.840 7.249 0.790 1.00 0.00 H new ATOM 226 N GLU A 164 -12.911 10.263 2.624 1.00 0.00 N ATOM 227 CA GLU A 164 -14.279 10.253 3.186 1.00 0.00 C ATOM 228 C GLU A 164 -14.992 11.588 2.872 1.00 0.00 C ATOM 229 O GLU A 164 -16.183 11.585 2.543 1.00 0.00 O ATOM 230 CB GLU A 164 -14.200 10.065 4.711 1.00 0.00 C ATOM 231 CG GLU A 164 -13.867 8.616 5.099 1.00 0.00 C ATOM 232 CD GLU A 164 -13.641 8.492 6.611 1.00 0.00 C ATOM 233 OE1 GLU A 164 -14.638 8.250 7.335 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.477 8.640 7.054 1.00 0.00 O ATOM 0 H GLU A 164 -12.192 10.567 3.280 1.00 0.00 H new ATOM 0 HA GLU A 164 -14.843 9.434 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.441 10.733 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.151 10.351 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -14.680 7.958 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -12.974 8.289 4.566 1.00 0.00 H new ATOM 241 N SER A 165 -14.339 12.752 3.031 1.00 0.00 N ATOM 242 CA SER A 165 -15.042 14.069 2.954 1.00 0.00 C ATOM 243 C SER A 165 -14.476 14.911 1.793 1.00 0.00 C ATOM 244 O SER A 165 -15.028 15.968 1.477 1.00 0.00 O ATOM 245 CB SER A 165 -14.850 14.827 4.274 1.00 0.00 C ATOM 246 OG SER A 165 -15.447 14.132 5.360 1.00 0.00 O ATOM 0 H SER A 165 -13.338 12.821 3.212 1.00 0.00 H new ATOM 0 HA SER A 165 -16.103 13.893 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.786 14.962 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.288 15.822 4.192 1.00 0.00 H new ATOM 0 HG SER A 165 -15.307 14.637 6.188 1.00 0.00 H new ATOM 252 N GLY A 166 -13.411 14.480 1.104 1.00 0.00 N ATOM 253 CA GLY A 166 -12.891 15.208 -0.075 1.00 0.00 C ATOM 254 C GLY A 166 -12.081 16.442 0.378 1.00 0.00 C ATOM 255 O GLY A 166 -11.723 17.278 -0.453 1.00 0.00 O ATOM 0 H GLY A 166 -12.890 13.635 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.260 14.548 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.718 15.520 -0.713 1.00 0.00 H new ATOM 259 N THR A 167 -11.787 16.611 1.679 1.00 0.00 N ATOM 260 CA THR A 167 -11.040 17.792 2.172 1.00 0.00 C ATOM 261 C THR A 167 -9.983 17.346 3.185 1.00 0.00 C ATOM 262 O THR A 167 -10.167 16.325 3.859 1.00 0.00 O ATOM 263 CB THR A 167 -12.018 18.774 2.847 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.335 19.962 3.185 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.708 18.257 4.118 1.00 0.00 C ATOM 0 H THR A 167 -12.052 15.950 2.409 1.00 0.00 H new ATOM 0 HA THR A 167 -10.550 18.286 1.333 1.00 0.00 H new ATOM 0 HB THR A 167 -12.804 18.929 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.957 20.587 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.373 19.027 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.287 17.364 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.955 18.012 4.867 1.00 0.00 H new ATOM 273 N CYS A 168 -8.865 18.073 3.351 1.00 0.00 N ATOM 274 CA CYS A 168 -7.854 17.729 4.355 1.00 0.00 C ATOM 275 C CYS A 168 -7.242 19.019 4.934 1.00 0.00 C ATOM 276 O CYS A 168 -6.757 19.870 4.178 1.00 0.00 O ATOM 277 CB CYS A 168 -6.755 16.888 3.703 1.00 0.00 C ATOM 278 SG CYS A 168 -5.649 16.308 5.020 1.00 0.00 S ATOM 0 H CYS A 168 -8.642 18.902 2.801 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.319 17.158 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.187 16.043 3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.203 17.480 2.973 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.540 15.014 4.956 1.00 0.00 H new ATOM 283 N LYS A 169 -7.246 19.216 6.260 1.00 0.00 N ATOM 284 CA LYS A 169 -6.732 20.462 6.877 1.00 0.00 C ATOM 285 C LYS A 169 -5.206 20.554 6.690 1.00 0.00 C ATOM 286 O LYS A 169 -4.631 21.632 6.857 1.00 0.00 O ATOM 287 CB LYS A 169 -7.061 20.462 8.383 1.00 0.00 C ATOM 288 CG LYS A 169 -8.549 20.283 8.737 1.00 0.00 C ATOM 289 CD LYS A 169 -8.740 20.011 10.240 1.00 0.00 C ATOM 290 CE LYS A 169 -8.240 18.626 10.694 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.064 17.532 10.136 1.00 0.00 N ATOM 0 H LYS A 169 -7.598 18.533 6.931 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.204 21.318 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.493 19.664 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.714 21.402 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.102 21.179 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.965 19.457 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.215 20.779 10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.799 20.102 10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.204 18.494 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.256 18.573 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.760 16.625 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.064 17.698 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.948 17.503 9.103 1.00 0.00 H new ATOM 305 N TYR A 170 -4.506 19.466 6.358 1.00 0.00 N ATOM 306 CA TYR A 170 -3.045 19.503 6.177 1.00 0.00 C ATOM 307 C TYR A 170 -2.708 19.947 4.732 1.00 0.00 C ATOM 308 O TYR A 170 -1.605 20.443 4.481 1.00 0.00 O ATOM 309 CB TYR A 170 -2.463 18.115 6.440 1.00 0.00 C ATOM 310 CG TYR A 170 -2.492 17.758 7.916 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.677 17.285 8.514 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.348 17.976 8.708 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.729 17.055 9.903 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.400 17.753 10.097 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.587 17.289 10.699 1.00 0.00 C ATOM 316 OH TYR A 170 -2.618 17.059 12.040 1.00 0.00 O ATOM 0 H TYR A 170 -4.923 18.547 6.208 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.612 20.215 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.027 17.372 5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.436 18.078 6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.549 17.098 7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.431 18.314 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.642 16.700 10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.526 17.938 10.704 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.744 17.273 12.429 1.00 0.00 H new ATOM 326 N GLY A 171 -3.644 19.858 3.771 1.00 0.00 N ATOM 327 CA GLY A 171 -3.438 20.411 2.417 1.00 0.00 C ATOM 328 C GLY A 171 -2.210 19.757 1.760 1.00 0.00 C ATOM 329 O GLY A 171 -2.023 18.543 1.863 1.00 0.00 O ATOM 0 H GLY A 171 -4.550 19.409 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.323 20.236 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.298 21.490 2.474 1.00 0.00 H new ATOM 333 N GLU A 172 -1.374 20.508 1.030 1.00 0.00 N ATOM 334 CA GLU A 172 -0.229 19.927 0.288 1.00 0.00 C ATOM 335 C GLU A 172 0.839 19.414 1.279 1.00 0.00 C ATOM 336 O GLU A 172 1.789 18.742 0.865 1.00 0.00 O ATOM 337 CB GLU A 172 0.394 21.008 -0.618 1.00 0.00 C ATOM 338 CG GLU A 172 -0.557 21.590 -1.680 1.00 0.00 C ATOM 339 CD GLU A 172 -1.162 22.939 -1.258 1.00 0.00 C ATOM 340 OE1 GLU A 172 -2.020 22.945 -0.342 1.00 0.00 O ATOM 341 OE2 GLU A 172 -0.764 23.974 -1.846 1.00 0.00 O ATOM 0 H GLU A 172 -1.463 21.519 0.933 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.583 19.094 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 172 0.757 21.822 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.262 20.583 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.015 21.717 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -1.361 20.879 -1.870 1.00 0.00 H new ATOM 348 N LYS A 173 0.727 19.687 2.592 1.00 0.00 N ATOM 349 CA LYS A 173 1.729 19.231 3.579 1.00 0.00 C ATOM 350 C LYS A 173 1.224 17.958 4.287 1.00 0.00 C ATOM 351 O LYS A 173 1.872 17.475 5.219 1.00 0.00 O ATOM 352 CB LYS A 173 1.969 20.342 4.621 1.00 0.00 C ATOM 353 CG LYS A 173 2.451 21.650 3.963 1.00 0.00 C ATOM 354 CD LYS A 173 2.908 22.706 4.982 1.00 0.00 C ATOM 355 CE LYS A 173 4.208 22.341 5.715 1.00 0.00 C ATOM 356 NZ LYS A 173 5.361 22.244 4.796 1.00 0.00 N ATOM 0 H LYS A 173 -0.044 20.219 2.995 1.00 0.00 H new ATOM 0 HA LYS A 173 2.664 19.007 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.047 20.530 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.710 20.006 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.276 21.427 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 173 1.645 22.063 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 173 3.047 23.657 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 173 2.117 22.854 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.416 23.092 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.077 21.390 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 6.236 22.131 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 5.238 21.423 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 5.422 23.110 4.224 1.00 0.00 H new ATOM 370 N CYS A 174 0.095 17.361 3.871 1.00 0.00 N ATOM 371 CA CYS A 174 -0.399 16.124 4.478 1.00 0.00 C ATOM 372 C CYS A 174 0.611 14.989 4.234 1.00 0.00 C ATOM 373 O CYS A 174 1.055 14.783 3.097 1.00 0.00 O ATOM 374 CB CYS A 174 -1.748 15.752 3.858 1.00 0.00 C ATOM 375 SG CYS A 174 -2.463 14.403 4.835 1.00 0.00 S ATOM 0 H CYS A 174 -0.490 17.719 3.116 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.522 16.273 5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.415 16.614 3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.618 15.444 2.821 1.00 0.00 H new ATOM 0 HG CYS A 174 -1.527 13.827 5.530 1.00 0.00 H new ATOM 380 N GLN A 175 1.018 14.237 5.261 1.00 0.00 N ATOM 381 CA GLN A 175 1.988 13.153 5.100 1.00 0.00 C ATOM 382 C GLN A 175 1.282 11.889 4.554 1.00 0.00 C ATOM 383 O GLN A 175 1.893 10.826 4.502 1.00 0.00 O ATOM 384 CB GLN A 175 2.628 12.833 6.462 1.00 0.00 C ATOM 385 CG GLN A 175 3.442 13.990 7.063 1.00 0.00 C ATOM 386 CD GLN A 175 4.324 13.585 8.253 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.215 14.321 8.661 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.174 12.412 8.840 1.00 0.00 N ATOM 0 H GLN A 175 0.687 14.361 6.218 1.00 0.00 H new ATOM 0 HA GLN A 175 2.759 13.465 4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.842 12.554 7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.278 11.966 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 175 4.074 14.418 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.756 14.774 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.442 11.774 8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.790 12.143 9.608 1.00 0.00 H new ATOM 397 N PHE A 176 -0.003 11.948 4.169 1.00 0.00 N ATOM 398 CA PHE A 176 -0.742 10.750 3.710 1.00 0.00 C ATOM 399 C PHE A 176 -1.215 10.953 2.254 1.00 0.00 C ATOM 400 O PHE A 176 -1.196 12.079 1.746 1.00 0.00 O ATOM 401 CB PHE A 176 -1.955 10.516 4.623 1.00 0.00 C ATOM 402 CG PHE A 176 -1.578 10.056 6.027 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.137 10.977 7.001 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.636 8.688 6.350 1.00 0.00 C ATOM 405 CE1 PHE A 176 -0.763 10.534 8.286 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.262 8.243 7.631 1.00 0.00 C ATOM 407 CZ PHE A 176 -0.842 9.167 8.602 1.00 0.00 C ATOM 0 H PHE A 176 -0.554 12.806 4.165 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.085 9.882 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.530 11.439 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.605 9.769 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.086 12.029 6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.970 7.975 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.417 11.242 9.024 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.298 7.190 7.868 1.00 0.00 H new ATOM 0 HZ PHE A 176 -0.579 8.826 9.593 1.00 0.00 H new ATOM 417 N ALA A 177 -1.564 9.892 1.520 1.00 0.00 N ATOM 418 CA ALA A 177 -1.834 9.990 0.076 1.00 0.00 C ATOM 419 C ALA A 177 -3.245 10.570 -0.158 1.00 0.00 C ATOM 420 O ALA A 177 -4.238 9.937 0.205 1.00 0.00 O ATOM 421 CB ALA A 177 -1.748 8.592 -0.548 1.00 0.00 C ATOM 0 H ALA A 177 -1.667 8.951 1.900 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.097 10.648 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -1.947 8.658 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.750 8.183 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.486 7.939 -0.081 1.00 0.00 H new ATOM 427 N HIS A 178 -3.391 11.707 -0.853 1.00 0.00 N ATOM 428 CA HIS A 178 -4.716 12.195 -1.276 1.00 0.00 C ATOM 429 C HIS A 178 -5.116 11.517 -2.605 1.00 0.00 C ATOM 430 O HIS A 178 -6.308 11.387 -2.895 1.00 0.00 O ATOM 431 CB HIS A 178 -4.668 13.724 -1.468 1.00 0.00 C ATOM 432 CG HIS A 178 -4.508 14.520 -0.191 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.334 15.885 -0.101 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.572 14.038 1.088 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.297 16.210 1.205 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.450 15.115 1.964 1.00 0.00 N ATOM 0 H HIS A 178 -2.614 12.305 -1.134 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.452 11.952 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.842 13.966 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.584 14.042 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.696 13.003 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.163 17.211 1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.473 15.078 2.983 1.00 0.00 H new ATOM 444 N GLY A 179 -4.166 11.033 -3.421 1.00 0.00 N ATOM 445 CA GLY A 179 -4.491 10.267 -4.637 1.00 0.00 C ATOM 446 C GLY A 179 -3.698 8.956 -4.649 1.00 0.00 C ATOM 447 O GLY A 179 -2.562 8.918 -4.167 1.00 0.00 O ATOM 0 H GLY A 179 -3.166 11.158 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.560 10.057 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.253 10.855 -5.523 1.00 0.00 H new ATOM 724 N GLU A 195 3.354 -16.080 10.698 1.00 0.00 N ATOM 725 CA GLU A 195 2.927 -16.696 11.973 1.00 0.00 C ATOM 726 C GLU A 195 1.507 -16.222 12.333 1.00 0.00 C ATOM 727 O GLU A 195 1.122 -15.099 11.990 1.00 0.00 O ATOM 728 CB GLU A 195 3.903 -16.289 13.091 1.00 0.00 C ATOM 729 CG GLU A 195 5.297 -16.927 12.955 1.00 0.00 C ATOM 730 CD GLU A 195 5.289 -18.464 13.002 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.439 -19.040 13.723 1.00 0.00 O ATOM 732 OE2 GLU A 195 6.149 -19.075 12.321 1.00 0.00 O ATOM 0 HA GLU A 195 2.926 -17.781 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.008 -15.204 13.093 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.477 -16.570 14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.742 -16.605 12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.936 -16.553 13.755 1.00 0.00 H new ATOM 739 N LEU A 196 0.694 -17.035 13.028 1.00 0.00 N ATOM 740 CA LEU A 196 -0.673 -16.641 13.412 1.00 0.00 C ATOM 741 C LEU A 196 -0.618 -15.472 14.409 1.00 0.00 C ATOM 742 O LEU A 196 0.161 -15.512 15.371 1.00 0.00 O ATOM 743 CB LEU A 196 -1.384 -17.841 14.069 1.00 0.00 C ATOM 744 CG LEU A 196 -1.482 -19.111 13.201 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.254 -20.192 13.958 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.177 -18.865 11.860 1.00 0.00 C ATOM 0 H LEU A 196 0.960 -17.970 13.336 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.222 -16.329 12.523 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -0.859 -18.092 14.991 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.392 -17.535 14.349 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.460 -19.428 12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.322 -21.089 13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.734 -20.428 14.887 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.257 -19.831 14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.216 -19.796 11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.191 -18.505 12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.620 -18.119 11.293 1.00 0.00 H new ATOM 758 N CYS A 197 -1.445 -14.435 14.255 1.00 0.00 N ATOM 759 CA CYS A 197 -1.503 -13.336 15.217 1.00 0.00 C ATOM 760 C CYS A 197 -2.101 -13.839 16.539 1.00 0.00 C ATOM 761 O CYS A 197 -3.255 -14.279 16.574 1.00 0.00 O ATOM 762 CB CYS A 197 -2.369 -12.207 14.650 1.00 0.00 C ATOM 763 SG CYS A 197 -2.441 -10.766 15.749 1.00 0.00 S ATOM 0 H CYS A 197 -2.086 -14.335 13.468 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.497 -12.960 15.401 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.973 -11.901 13.681 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.379 -12.580 14.478 1.00 0.00 H new ATOM 0 HG CYS A 197 -2.016 -9.714 15.114 1.00 0.00 H new ATOM 768 N ARG A 198 -1.351 -13.819 17.641 1.00 0.00 N ATOM 769 CA ARG A 198 -1.832 -14.336 18.943 1.00 0.00 C ATOM 770 C ARG A 198 -3.104 -13.599 19.360 1.00 0.00 C ATOM 771 O ARG A 198 -4.089 -14.238 19.713 1.00 0.00 O ATOM 772 CB ARG A 198 -0.741 -14.129 20.011 1.00 0.00 C ATOM 773 CG ARG A 198 0.401 -15.147 19.862 1.00 0.00 C ATOM 774 CD ARG A 198 1.654 -14.744 20.652 1.00 0.00 C ATOM 775 NE ARG A 198 1.410 -14.707 22.106 1.00 0.00 N ATOM 776 CZ ARG A 198 2.257 -14.295 23.035 1.00 0.00 C ATOM 777 NH1 ARG A 198 3.458 -13.860 22.750 1.00 0.00 N ATOM 778 NH2 ARG A 198 1.911 -14.310 24.293 1.00 0.00 N ATOM 0 H ARG A 198 -0.401 -13.450 17.668 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.053 -15.399 18.847 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.340 -13.118 19.931 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.182 -14.219 21.004 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.059 -16.124 20.203 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.657 -15.249 18.807 1.00 0.00 H new ATOM 0 HD2 ARG A 198 2.458 -15.448 20.438 1.00 0.00 H new ATOM 0 HD3 ARG A 198 1.992 -13.763 20.317 1.00 0.00 H new ATOM 0 HE ARG A 198 0.498 -15.031 22.427 1.00 0.00 H new ATOM 0 HH11 ARG A 198 3.773 -13.829 21.780 1.00 0.00 H new ATOM 0 HH12 ARG A 198 4.079 -13.552 23.498 1.00 0.00 H new ATOM 0 HH21 ARG A 198 0.985 -14.640 24.563 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.567 -13.992 25.006 1.00 0.00 H new ATOM 792 N THR A 199 -3.141 -12.264 19.350 1.00 0.00 N ATOM 793 CA THR A 199 -4.338 -11.509 19.787 1.00 0.00 C ATOM 794 C THR A 199 -5.556 -11.907 18.927 1.00 0.00 C ATOM 795 O THR A 199 -6.613 -12.217 19.476 1.00 0.00 O ATOM 796 CB THR A 199 -4.077 -9.997 19.645 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.778 -9.674 20.104 1.00 0.00 O ATOM 798 CG2 THR A 199 -5.039 -9.168 20.491 1.00 0.00 C ATOM 0 H THR A 199 -2.363 -11.678 19.047 1.00 0.00 H new ATOM 0 HA THR A 199 -4.546 -11.745 20.831 1.00 0.00 H new ATOM 0 HB THR A 199 -4.206 -9.769 18.587 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.626 -8.711 20.006 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.818 -8.109 20.360 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.064 -9.367 20.177 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.923 -9.436 21.541 1.00 0.00 H new ATOM 806 N PHE A 200 -5.456 -11.962 17.592 1.00 0.00 N ATOM 807 CA PHE A 200 -6.614 -12.308 16.738 1.00 0.00 C ATOM 808 C PHE A 200 -7.017 -13.785 16.968 1.00 0.00 C ATOM 809 O PHE A 200 -8.206 -14.090 17.038 1.00 0.00 O ATOM 810 CB PHE A 200 -6.250 -12.094 15.263 1.00 0.00 C ATOM 811 CG PHE A 200 -7.420 -12.234 14.308 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.247 -11.126 14.042 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.689 -13.471 13.689 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.337 -11.254 13.162 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.780 -13.598 12.810 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.603 -12.490 12.546 1.00 0.00 C ATOM 0 H PHE A 200 -4.595 -11.774 17.078 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.455 -11.665 16.999 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.818 -11.100 15.147 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.479 -12.811 14.983 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -8.044 -10.176 14.514 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.056 -14.323 13.890 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.970 -10.403 12.959 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -8.985 -14.547 12.338 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.440 -12.588 11.870 1.00 0.00 H new ATOM 826 N HIS A 201 -6.079 -14.720 17.112 1.00 0.00 N ATOM 827 CA HIS A 201 -6.423 -16.150 17.311 1.00 0.00 C ATOM 828 C HIS A 201 -6.774 -16.417 18.809 1.00 0.00 C ATOM 829 O HIS A 201 -7.192 -17.526 19.152 1.00 0.00 O ATOM 830 CB HIS A 201 -5.228 -17.025 16.894 1.00 0.00 C ATOM 831 CG HIS A 201 -5.193 -17.178 15.387 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.667 -18.289 14.685 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.868 -16.202 14.486 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.609 -17.963 13.383 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.134 -16.714 13.235 1.00 0.00 N ATOM 0 H HIS A 201 -5.078 -14.527 17.097 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.290 -16.398 16.698 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.299 -16.575 17.243 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.304 -18.005 17.365 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.478 -15.220 14.711 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -5.902 -18.612 12.571 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -4.995 -16.229 12.349 1.00 0.00 H new ATOM 843 N THR A 202 -6.683 -15.423 19.709 1.00 0.00 N ATOM 844 CA THR A 202 -7.087 -15.603 21.136 1.00 0.00 C ATOM 845 C THR A 202 -8.345 -14.770 21.433 1.00 0.00 C ATOM 846 O THR A 202 -9.386 -15.335 21.775 1.00 0.00 O ATOM 847 CB THR A 202 -5.938 -15.156 22.065 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.780 -15.921 21.813 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.265 -15.344 23.548 1.00 0.00 C ATOM 0 H THR A 202 -6.337 -14.489 19.487 1.00 0.00 H new ATOM 0 HA THR A 202 -7.305 -16.656 21.313 1.00 0.00 H new ATOM 0 HB THR A 202 -5.786 -14.097 21.856 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.282 -15.525 21.067 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.420 -15.013 24.152 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.146 -14.756 23.804 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.462 -16.398 23.747 1.00 0.00 H new ATOM 857 N ILE A 203 -8.312 -13.437 21.329 1.00 0.00 N ATOM 858 CA ILE A 203 -9.492 -12.596 21.642 1.00 0.00 C ATOM 859 C ILE A 203 -10.503 -12.660 20.473 1.00 0.00 C ATOM 860 O ILE A 203 -11.648 -12.231 20.624 1.00 0.00 O ATOM 861 CB ILE A 203 -9.042 -11.119 21.861 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.708 -11.012 22.642 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.144 -10.368 22.637 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.319 -9.610 23.135 1.00 0.00 C ATOM 0 H ILE A 203 -7.490 -12.911 21.033 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.966 -12.968 22.550 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.881 -10.675 20.878 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.763 -11.675 23.505 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.907 -11.385 22.004 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.838 -9.334 22.795 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -11.071 -10.388 22.064 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.303 -10.850 23.601 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.369 -9.662 23.667 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -7.221 -8.938 22.282 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -8.090 -9.234 23.807 1.00 0.00 H new ATOM 876 N GLY A 204 -10.125 -13.167 19.289 1.00 0.00 N ATOM 877 CA GLY A 204 -11.000 -13.123 18.104 1.00 0.00 C ATOM 878 C GLY A 204 -10.886 -11.743 17.429 1.00 0.00 C ATOM 879 O GLY A 204 -11.598 -11.468 16.460 1.00 0.00 O ATOM 0 H GLY A 204 -9.222 -13.611 19.126 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.718 -13.907 17.402 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.033 -13.313 18.395 1.00 0.00 H new ATOM 883 N PHE A 205 -10.025 -10.833 17.917 1.00 0.00 N ATOM 884 CA PHE A 205 -9.910 -9.480 17.359 1.00 0.00 C ATOM 885 C PHE A 205 -8.453 -8.991 17.487 1.00 0.00 C ATOM 886 O PHE A 205 -7.694 -9.529 18.296 1.00 0.00 O ATOM 887 CB PHE A 205 -10.839 -8.530 18.132 1.00 0.00 C ATOM 888 CG PHE A 205 -10.786 -7.082 17.678 1.00 0.00 C ATOM 889 CD1 PHE A 205 -11.227 -6.731 16.387 1.00 0.00 C ATOM 890 CD2 PHE A 205 -10.242 -6.095 18.522 1.00 0.00 C ATOM 891 CE1 PHE A 205 -11.126 -5.399 15.945 1.00 0.00 C ATOM 892 CE2 PHE A 205 -10.141 -4.764 18.079 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.582 -4.416 16.791 1.00 0.00 C ATOM 0 H PHE A 205 -9.397 -11.014 18.700 1.00 0.00 H new ATOM 0 HA PHE A 205 -10.195 -9.495 16.307 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.864 -8.889 18.037 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.582 -8.574 19.190 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.643 -7.485 15.736 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.901 -6.361 19.512 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.466 -5.131 14.956 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.724 -4.009 18.729 1.00 0.00 H new ATOM 0 HZ PHE A 205 -10.503 -3.394 16.451 1.00 0.00 H new ATOM 903 N CYS A 206 -8.034 -7.946 16.757 1.00 0.00 N ATOM 904 CA CYS A 206 -6.679 -7.396 16.888 1.00 0.00 C ATOM 905 C CYS A 206 -6.736 -5.855 16.785 1.00 0.00 C ATOM 906 O CYS A 206 -7.339 -5.320 15.846 1.00 0.00 O ATOM 907 CB CYS A 206 -5.796 -7.955 15.772 1.00 0.00 C ATOM 908 SG CYS A 206 -4.087 -7.370 15.929 1.00 0.00 S ATOM 0 H CYS A 206 -8.615 -7.466 16.070 1.00 0.00 H new ATOM 0 HA CYS A 206 -6.262 -7.676 17.855 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.814 -9.044 15.802 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -6.197 -7.656 14.804 1.00 0.00 H new ATOM 0 HG CYS A 206 -3.284 -8.390 16.003 1.00 0.00 H new ATOM 913 N PRO A 207 -6.131 -5.095 17.724 1.00 0.00 N ATOM 914 CA PRO A 207 -6.216 -3.634 17.726 1.00 0.00 C ATOM 915 C PRO A 207 -5.388 -3.054 16.561 1.00 0.00 C ATOM 916 O PRO A 207 -5.529 -1.872 16.237 1.00 0.00 O ATOM 917 CB PRO A 207 -5.669 -3.111 19.054 1.00 0.00 C ATOM 918 CG PRO A 207 -4.728 -4.252 19.461 1.00 0.00 C ATOM 919 CD PRO A 207 -5.383 -5.522 18.898 1.00 0.00 C ATOM 0 HA PRO A 207 -7.255 -3.328 17.604 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -5.141 -2.165 18.937 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -6.458 -2.947 19.788 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.729 -4.107 19.049 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.621 -4.309 20.544 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.631 -6.266 18.634 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -6.041 -5.982 19.635 1.00 0.00 H new ATOM 927 N TYR A 208 -4.550 -3.847 15.872 1.00 0.00 N ATOM 928 CA TYR A 208 -3.798 -3.356 14.700 1.00 0.00 C ATOM 929 C TYR A 208 -4.654 -3.517 13.426 1.00 0.00 C ATOM 930 O TYR A 208 -4.387 -2.858 12.417 1.00 0.00 O ATOM 931 CB TYR A 208 -2.498 -4.157 14.553 1.00 0.00 C ATOM 932 CG TYR A 208 -1.491 -3.890 15.661 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.572 -4.585 16.884 1.00 0.00 C ATOM 934 CD2 TYR A 208 -0.484 -2.923 15.476 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.663 -4.307 17.924 1.00 0.00 C ATOM 936 CE2 TYR A 208 0.426 -2.641 16.514 1.00 0.00 C ATOM 937 CZ TYR A 208 0.342 -3.333 17.740 1.00 0.00 C ATOM 938 OH TYR A 208 1.234 -3.061 18.731 1.00 0.00 O ATOM 0 H TYR A 208 -4.375 -4.825 16.103 1.00 0.00 H new ATOM 0 HA TYR A 208 -3.560 -2.302 14.840 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.736 -5.221 14.538 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -2.041 -3.919 13.593 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.336 -5.336 17.025 1.00 0.00 H new ATOM 0 HD2 TYR A 208 -0.409 -2.396 14.536 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.735 -4.839 18.861 1.00 0.00 H new ATOM 0 HE2 TYR A 208 1.191 -1.892 16.370 1.00 0.00 H new ATOM 0 HH TYR A 208 1.855 -2.365 18.430 1.00 0.00 H new ATOM 948 N GLY A 209 -5.731 -4.320 13.442 1.00 0.00 N ATOM 949 CA GLY A 209 -6.653 -4.422 12.296 1.00 0.00 C ATOM 950 C GLY A 209 -5.876 -4.842 11.028 1.00 0.00 C ATOM 951 O GLY A 209 -5.023 -5.734 11.094 1.00 0.00 O ATOM 0 H GLY A 209 -5.985 -4.908 14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -7.435 -5.150 12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -7.147 -3.465 12.130 1.00 0.00 H new ATOM 955 N PRO A 210 -6.149 -4.251 9.846 1.00 0.00 N ATOM 956 CA PRO A 210 -5.509 -4.663 8.598 1.00 0.00 C ATOM 957 C PRO A 210 -4.026 -4.214 8.587 1.00 0.00 C ATOM 958 O PRO A 210 -3.256 -4.656 7.729 1.00 0.00 O ATOM 959 CB PRO A 210 -6.250 -4.017 7.427 1.00 0.00 C ATOM 960 CG PRO A 210 -6.845 -2.775 8.102 1.00 0.00 C ATOM 961 CD PRO A 210 -7.117 -3.204 9.552 1.00 0.00 C ATOM 0 HA PRO A 210 -5.547 -5.749 8.510 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -5.579 -3.759 6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -7.019 -4.670 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -6.153 -1.934 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.762 -2.457 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -7.003 -2.363 10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -8.137 -3.572 9.666 1.00 0.00 H new ATOM 969 N ARG A 211 -3.575 -3.349 9.518 1.00 0.00 N ATOM 970 CA ARG A 211 -2.164 -2.895 9.553 1.00 0.00 C ATOM 971 C ARG A 211 -1.307 -3.909 10.347 1.00 0.00 C ATOM 972 O ARG A 211 -0.104 -3.699 10.513 1.00 0.00 O ATOM 973 CB ARG A 211 -2.084 -1.508 10.232 1.00 0.00 C ATOM 974 CG ARG A 211 -3.006 -0.420 9.647 1.00 0.00 C ATOM 975 CD ARG A 211 -2.786 -0.123 8.155 1.00 0.00 C ATOM 976 NE ARG A 211 -1.474 0.498 7.890 1.00 0.00 N ATOM 977 CZ ARG A 211 -0.926 0.705 6.704 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.501 0.338 5.588 1.00 0.00 N ATOM 979 NH2 ARG A 211 0.231 1.296 6.606 1.00 0.00 N ATOM 0 H ARG A 211 -4.161 -2.951 10.252 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.784 -2.824 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -2.321 -1.628 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -1.054 -1.155 10.174 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -4.042 -0.724 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.861 0.501 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -2.867 -1.050 7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -3.576 0.538 7.799 1.00 0.00 H new ATOM 0 HE ARG A 211 -0.936 0.798 8.703 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -2.408 -0.128 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.042 0.518 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 211 0.720 1.602 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 211 0.648 1.452 5.688 1.00 0.00 H new ATOM 993 N CYS A 212 -1.879 -5.016 10.858 1.00 0.00 N ATOM 994 CA CYS A 212 -1.114 -6.009 11.624 1.00 0.00 C ATOM 995 C CYS A 212 -0.135 -6.756 10.687 1.00 0.00 C ATOM 996 O CYS A 212 -0.438 -6.952 9.502 1.00 0.00 O ATOM 997 CB CYS A 212 -2.081 -7.014 12.259 1.00 0.00 C ATOM 998 SG CYS A 212 -1.213 -7.978 13.531 1.00 0.00 S ATOM 0 H CYS A 212 -2.868 -5.242 10.752 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.546 -5.503 12.404 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.928 -6.489 12.701 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.482 -7.680 11.495 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.833 -7.856 14.667 1.00 0.00 H new ATOM 1003 N HIS A 213 1.029 -7.206 11.168 1.00 0.00 N ATOM 1004 CA HIS A 213 2.008 -7.910 10.321 1.00 0.00 C ATOM 1005 C HIS A 213 1.815 -9.436 10.444 1.00 0.00 C ATOM 1006 O HIS A 213 2.554 -10.199 9.816 1.00 0.00 O ATOM 1007 CB HIS A 213 3.430 -7.542 10.769 1.00 0.00 C ATOM 1008 CG HIS A 213 3.778 -6.077 10.705 1.00 0.00 C ATOM 1009 ND1 HIS A 213 3.255 -5.138 9.811 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.660 -5.456 11.539 1.00 0.00 C ATOM 1011 CE1 HIS A 213 3.792 -3.959 10.168 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.641 -4.121 11.199 1.00 0.00 N ATOM 0 H HIS A 213 1.320 -7.097 12.140 1.00 0.00 H new ATOM 0 HA HIS A 213 1.858 -7.612 9.283 1.00 0.00 H new ATOM 0 HB2 HIS A 213 3.568 -7.885 11.795 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.139 -8.092 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 213 5.255 -5.919 12.312 1.00 0.00 H new ATOM 0 HE1 HIS A 213 3.573 -3.014 9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.179 -3.382 11.652 1.00 0.00 H new ATOM 1020 N PHE A 214 0.879 -9.934 11.276 1.00 0.00 N ATOM 1021 CA PHE A 214 0.768 -11.384 11.548 1.00 0.00 C ATOM 1022 C PHE A 214 -0.526 -11.945 10.911 1.00 0.00 C ATOM 1023 O PHE A 214 -1.442 -11.181 10.595 1.00 0.00 O ATOM 1024 CB PHE A 214 0.745 -11.616 13.059 1.00 0.00 C ATOM 1025 CG PHE A 214 2.098 -11.386 13.694 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.521 -10.085 14.029 1.00 0.00 C ATOM 1027 CD2 PHE A 214 2.957 -12.479 13.904 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.800 -9.880 14.570 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.235 -12.277 14.451 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.652 -10.978 14.784 1.00 0.00 C ATOM 0 H PHE A 214 0.194 -9.361 11.768 1.00 0.00 H new ATOM 0 HA PHE A 214 1.625 -11.899 11.114 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.013 -10.950 13.516 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.419 -12.636 13.263 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.861 -9.245 13.870 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.634 -13.476 13.644 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.129 -8.882 14.821 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.894 -13.117 14.615 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.633 -10.821 15.207 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.625 -13.260 10.659 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.768 -13.837 9.915 1.00 0.00 C ATOM 1042 C ILE A 215 -3.047 -13.741 10.764 1.00 0.00 C ATOM 1043 O ILE A 215 -3.126 -14.350 11.836 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.476 -15.326 9.586 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.181 -15.509 8.760 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.669 -15.939 8.820 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.286 -16.967 8.661 1.00 0.00 C ATOM 0 H ILE A 215 0.068 -13.946 10.957 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.909 -13.280 8.989 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.333 -15.841 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.344 -15.120 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.613 -14.912 9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.457 -16.984 8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.567 -15.876 9.435 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.826 -15.390 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.199 -17.017 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.481 -17.355 9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.490 -17.566 8.184 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.091 -13.048 10.306 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.390 -13.041 10.995 1.00 0.00 C ATOM 1061 C HIS A 216 -6.266 -14.197 10.455 1.00 0.00 C ATOM 1062 O HIS A 216 -6.127 -15.336 10.908 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.097 -11.689 10.750 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.526 -10.546 11.549 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -6.008 -9.255 11.569 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.502 -10.616 12.454 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.292 -8.570 12.477 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.379 -9.366 13.053 1.00 0.00 N ATOM 0 H HIS A 216 -4.065 -12.481 9.458 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.236 -13.176 12.066 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -6.034 -11.445 9.690 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.155 -11.795 10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.898 -11.486 12.666 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.432 -7.525 12.710 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.722 -9.105 13.788 1.00 0.00 H new