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 122:sc= 0.728 USER MOD Set 1.2: A 206 CYS SG : rot 129:sc= 0.658 USER MOD Set 1.3: A 212 CYS SG : rot 127:sc= 0.549 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.699 X(o=1.2,f=1.3) USER MOD Set 2.1: A 159 CYS SG : rot 121:sc= 0.649 USER MOD Set 2.2: A 168 CYS SG : rot 124:sc= 0.384 USER MOD Set 2.3: A 174 CYS SG : rot -130:sc= 0.571 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.455 K(o=1.1,f=0.24) USER MOD Single : A 155 LYS NZ :NH3+ 173:sc= 0.584 (180deg=0.561) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 201 HIS : no HD1:sc= 0.458 K(o=0.46,f=-1.6!) USER MOD Single : A 202 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.805 9.110 2.602 1.00 0.00 N ATOM 74 CA LYS A 155 1.890 8.784 1.473 1.00 0.00 C ATOM 75 C LYS A 155 1.918 7.259 1.177 1.00 0.00 C ATOM 76 O LYS A 155 1.696 6.847 0.040 1.00 0.00 O ATOM 77 CB LYS A 155 2.318 9.575 0.210 1.00 0.00 C ATOM 78 CG LYS A 155 2.032 11.061 0.472 1.00 0.00 C ATOM 79 CD LYS A 155 2.000 11.865 -0.827 1.00 0.00 C ATOM 80 CE LYS A 155 1.688 13.334 -0.548 1.00 0.00 C ATOM 81 NZ LYS A 155 0.246 13.573 -0.327 1.00 0.00 N ATOM 0 HA LYS A 155 0.874 9.066 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.377 9.420 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.767 9.228 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.077 11.163 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.796 11.468 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.961 11.783 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.248 11.450 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.246 13.661 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.029 13.941 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.099 14.558 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.274 13.400 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.103 12.930 0.412 1.00 0.00 H new ATOM 95 N THR A 156 2.104 6.392 2.176 1.00 0.00 N ATOM 96 CA THR A 156 1.958 4.924 1.976 1.00 0.00 C ATOM 97 C THR A 156 0.514 4.511 2.260 1.00 0.00 C ATOM 98 O THR A 156 0.102 3.409 1.893 1.00 0.00 O ATOM 99 CB THR A 156 2.900 4.172 2.927 1.00 0.00 C ATOM 100 OG1 THR A 156 2.701 4.484 4.288 1.00 0.00 O ATOM 101 CG2 THR A 156 4.360 4.405 2.532 1.00 0.00 C ATOM 0 H THR A 156 2.354 6.664 3.127 1.00 0.00 H new ATOM 0 HA THR A 156 2.214 4.676 0.946 1.00 0.00 H new ATOM 0 HB THR A 156 2.656 3.115 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.330 3.971 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.013 3.864 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.524 4.046 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.585 5.470 2.581 1.00 0.00 H new ATOM 109 N GLU A 157 -0.303 5.362 2.906 1.00 0.00 N ATOM 110 CA GLU A 157 -1.697 5.027 3.235 1.00 0.00 C ATOM 111 C GLU A 157 -2.626 6.134 2.715 1.00 0.00 C ATOM 112 O GLU A 157 -2.222 7.302 2.647 1.00 0.00 O ATOM 113 CB GLU A 157 -1.844 4.901 4.763 1.00 0.00 C ATOM 114 CG GLU A 157 -3.185 4.320 5.225 1.00 0.00 C ATOM 115 CD GLU A 157 -3.279 4.224 6.755 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.404 3.567 7.371 1.00 0.00 O ATOM 117 OE2 GLU A 157 -4.244 4.797 7.314 1.00 0.00 O ATOM 0 H GLU A 157 -0.018 6.292 3.212 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.967 4.081 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.039 4.271 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.716 5.887 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.997 4.943 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.318 3.329 4.792 1.00 0.00 H new ATOM 124 N LEU A 158 -3.856 5.822 2.289 1.00 0.00 N ATOM 125 CA LEU A 158 -4.762 6.825 1.701 1.00 0.00 C ATOM 126 C LEU A 158 -5.144 7.877 2.757 1.00 0.00 C ATOM 127 O LEU A 158 -5.436 7.524 3.905 1.00 0.00 O ATOM 128 CB LEU A 158 -6.032 6.131 1.202 1.00 0.00 C ATOM 129 CG LEU A 158 -5.906 5.342 -0.103 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.159 4.471 -0.201 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.806 6.275 -1.317 1.00 0.00 C ATOM 0 H LEU A 158 -4.250 4.883 2.339 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.256 7.317 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.379 5.451 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.806 6.887 1.071 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.997 4.740 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.123 3.883 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.205 3.801 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.044 5.107 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.718 5.681 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.701 6.895 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.928 6.913 -1.214 1.00 0.00 H new ATOM 143 N CYS A 159 -5.290 9.156 2.387 1.00 0.00 N ATOM 144 CA CYS A 159 -5.858 10.164 3.277 1.00 0.00 C ATOM 145 C CYS A 159 -7.385 10.035 3.276 1.00 0.00 C ATOM 146 O CYS A 159 -8.051 10.504 2.335 1.00 0.00 O ATOM 147 CB CYS A 159 -5.453 11.556 2.789 1.00 0.00 C ATOM 148 SG CYS A 159 -5.992 12.880 3.907 1.00 0.00 S ATOM 0 H CYS A 159 -5.019 9.514 1.471 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.484 10.016 4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.369 11.597 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.878 11.727 1.800 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.955 13.543 4.326 1.00 0.00 H new ATOM 153 N ARG A 160 -7.991 9.326 4.243 1.00 0.00 N ATOM 154 CA ARG A 160 -9.431 9.008 4.189 1.00 0.00 C ATOM 155 C ARG A 160 -10.272 10.303 4.365 1.00 0.00 C ATOM 156 O ARG A 160 -11.288 10.460 3.690 1.00 0.00 O ATOM 157 CB ARG A 160 -9.779 8.010 5.299 1.00 0.00 C ATOM 158 CG ARG A 160 -9.023 6.679 5.139 1.00 0.00 C ATOM 159 CD ARG A 160 -9.351 5.673 6.253 1.00 0.00 C ATOM 160 NE ARG A 160 -10.763 5.244 6.216 1.00 0.00 N ATOM 161 CZ ARG A 160 -11.755 5.658 6.991 1.00 0.00 C ATOM 162 NH1 ARG A 160 -11.593 6.532 7.950 1.00 0.00 N ATOM 163 NH2 ARG A 160 -12.962 5.194 6.811 1.00 0.00 N ATOM 0 H ARG A 160 -7.511 8.963 5.067 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.661 8.567 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.540 8.448 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.852 7.820 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.271 6.239 4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.950 6.873 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.705 4.801 6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -9.134 6.123 7.222 1.00 0.00 H new ATOM 0 HE ARG A 160 -11.003 4.547 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -10.670 6.928 8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -12.390 6.818 8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -13.142 4.513 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -13.725 5.513 7.408 1.00 0.00 H new ATOM 177 N PRO A 161 -9.876 11.277 5.232 1.00 0.00 N ATOM 178 CA PRO A 161 -10.620 12.546 5.377 1.00 0.00 C ATOM 179 C PRO A 161 -10.770 13.226 3.997 1.00 0.00 C ATOM 180 O PRO A 161 -11.844 13.756 3.683 1.00 0.00 O ATOM 181 CB PRO A 161 -9.853 13.470 6.321 1.00 0.00 C ATOM 182 CG PRO A 161 -9.033 12.477 7.137 1.00 0.00 C ATOM 183 CD PRO A 161 -8.748 11.332 6.160 1.00 0.00 C ATOM 0 HA PRO A 161 -11.611 12.343 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.221 14.174 5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.522 14.060 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.110 12.928 7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.584 12.128 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.815 11.505 5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.640 10.387 6.693 1.00 0.00 H new ATOM 191 N PHE A 162 -9.750 13.195 3.123 1.00 0.00 N ATOM 192 CA PHE A 162 -9.850 13.789 1.784 1.00 0.00 C ATOM 193 C PHE A 162 -10.805 12.948 0.909 1.00 0.00 C ATOM 194 O PHE A 162 -11.598 13.511 0.156 1.00 0.00 O ATOM 195 CB PHE A 162 -8.458 13.830 1.136 1.00 0.00 C ATOM 196 CG PHE A 162 -8.429 14.548 -0.198 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.462 15.955 -0.243 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.390 13.811 -1.397 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.455 16.623 -1.480 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.381 14.478 -2.634 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.413 15.884 -2.677 1.00 0.00 C ATOM 0 H PHE A 162 -8.847 12.764 3.322 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.241 14.803 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.764 14.321 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.101 12.809 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.493 16.523 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.367 12.732 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.482 17.702 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.349 13.911 -3.553 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.405 16.396 -3.628 1.00 0.00 H new ATOM 211 N GLU A 163 -10.771 11.614 0.971 1.00 0.00 N ATOM 212 CA GLU A 163 -11.675 10.772 0.154 1.00 0.00 C ATOM 213 C GLU A 163 -13.138 10.949 0.642 1.00 0.00 C ATOM 214 O GLU A 163 -14.077 10.782 -0.138 1.00 0.00 O ATOM 215 CB GLU A 163 -11.269 9.304 0.292 1.00 0.00 C ATOM 216 CG GLU A 163 -9.940 8.984 -0.398 1.00 0.00 C ATOM 217 CD GLU A 163 -9.644 7.490 -0.256 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.410 7.049 0.895 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.684 6.784 -1.293 1.00 0.00 O ATOM 0 H GLU A 163 -10.135 11.089 1.571 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.602 11.075 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.193 9.052 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.052 8.675 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -9.989 9.258 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.136 9.570 0.047 1.00 0.00 H new ATOM 226 N GLU A 164 -13.370 11.221 1.934 1.00 0.00 N ATOM 227 CA GLU A 164 -14.732 11.268 2.503 1.00 0.00 C ATOM 228 C GLU A 164 -15.367 12.642 2.237 1.00 0.00 C ATOM 229 O GLU A 164 -16.549 12.715 1.886 1.00 0.00 O ATOM 230 CB GLU A 164 -14.655 11.027 4.022 1.00 0.00 C ATOM 231 CG GLU A 164 -14.405 9.542 4.332 1.00 0.00 C ATOM 232 CD GLU A 164 -14.166 9.311 5.829 1.00 0.00 C ATOM 233 OE1 GLU A 164 -13.017 9.521 6.286 1.00 0.00 O ATOM 234 OE2 GLU A 164 -15.134 8.915 6.524 1.00 0.00 O ATOM 0 H GLU A 164 -12.631 11.413 2.610 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.343 10.496 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.855 11.631 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.584 11.349 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.261 8.952 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.541 9.192 3.767 1.00 0.00 H new ATOM 241 N SER A 165 -14.656 13.758 2.455 1.00 0.00 N ATOM 242 CA SER A 165 -15.281 15.108 2.416 1.00 0.00 C ATOM 243 C SER A 165 -14.649 15.953 1.294 1.00 0.00 C ATOM 244 O SER A 165 -15.143 17.042 0.994 1.00 0.00 O ATOM 245 CB SER A 165 -15.068 15.809 3.767 1.00 0.00 C ATOM 246 OG SER A 165 -15.712 15.088 4.809 1.00 0.00 O ATOM 0 H SER A 165 -13.657 13.764 2.659 1.00 0.00 H new ATOM 0 HA SER A 165 -16.348 15.001 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.002 15.889 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.461 16.825 3.722 1.00 0.00 H new ATOM 0 HG SER A 165 -15.566 15.546 5.663 1.00 0.00 H new ATOM 252 N GLY A 166 -13.584 15.491 0.622 1.00 0.00 N ATOM 253 CA GLY A 166 -12.996 16.225 -0.518 1.00 0.00 C ATOM 254 C GLY A 166 -12.096 17.364 -0.004 1.00 0.00 C ATOM 255 O GLY A 166 -11.655 18.202 -0.793 1.00 0.00 O ATOM 0 H GLY A 166 -13.111 14.615 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.415 15.543 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.788 16.632 -1.147 1.00 0.00 H new ATOM 259 N THR A 167 -11.817 17.460 1.310 1.00 0.00 N ATOM 260 CA THR A 167 -10.993 18.555 1.863 1.00 0.00 C ATOM 261 C THR A 167 -10.003 17.991 2.886 1.00 0.00 C ATOM 262 O THR A 167 -10.286 16.967 3.521 1.00 0.00 O ATOM 263 CB THR A 167 -11.908 19.592 2.547 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.146 20.711 2.946 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.674 19.088 3.778 1.00 0.00 C ATOM 0 H THR A 167 -12.149 16.795 2.008 1.00 0.00 H new ATOM 0 HA THR A 167 -10.440 19.034 1.055 1.00 0.00 H new ATOM 0 HB THR A 167 -12.655 19.837 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.731 21.368 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.286 19.895 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.315 18.255 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.965 18.756 4.537 1.00 0.00 H new ATOM 273 N CYS A 168 -8.839 18.620 3.105 1.00 0.00 N ATOM 274 CA CYS A 168 -7.887 18.172 4.124 1.00 0.00 C ATOM 275 C CYS A 168 -7.196 19.397 4.752 1.00 0.00 C ATOM 276 O CYS A 168 -6.616 20.219 4.030 1.00 0.00 O ATOM 277 CB CYS A 168 -6.837 17.262 3.478 1.00 0.00 C ATOM 278 SG CYS A 168 -5.793 16.561 4.784 1.00 0.00 S ATOM 0 H CYS A 168 -8.536 19.444 2.586 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.416 17.618 4.899 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.323 16.466 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.230 17.828 2.772 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.823 15.263 4.714 1.00 0.00 H new ATOM 283 N LYS A 169 -7.258 19.588 6.076 1.00 0.00 N ATOM 284 CA LYS A 169 -6.712 20.805 6.726 1.00 0.00 C ATOM 285 C LYS A 169 -5.176 20.813 6.624 1.00 0.00 C ATOM 286 O LYS A 169 -4.554 21.860 6.817 1.00 0.00 O ATOM 287 CB LYS A 169 -7.127 20.821 8.207 1.00 0.00 C ATOM 288 CG LYS A 169 -8.653 20.790 8.414 1.00 0.00 C ATOM 289 CD LYS A 169 -9.040 20.777 9.899 1.00 0.00 C ATOM 290 CE LYS A 169 -8.611 19.478 10.596 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.044 19.467 12.009 1.00 0.00 N ATOM 0 H LYS A 169 -7.678 18.922 6.724 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.107 21.688 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.682 19.963 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.721 21.715 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.100 21.659 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.066 19.907 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.578 21.627 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.119 20.899 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.039 18.622 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.527 19.374 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.742 18.579 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.615 20.271 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.080 19.543 12.055 1.00 0.00 H new ATOM 305 N TYR A 170 -4.521 19.686 6.340 1.00 0.00 N ATOM 306 CA TYR A 170 -3.052 19.639 6.238 1.00 0.00 C ATOM 307 C TYR A 170 -2.610 20.044 4.811 1.00 0.00 C ATOM 308 O TYR A 170 -1.469 20.467 4.620 1.00 0.00 O ATOM 309 CB TYR A 170 -2.567 18.218 6.544 1.00 0.00 C ATOM 310 CG TYR A 170 -2.641 17.880 8.020 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.866 17.521 8.617 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.484 17.994 8.812 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.943 17.321 10.009 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.560 17.807 10.203 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.793 17.480 10.810 1.00 0.00 C ATOM 316 OH TYR A 170 -2.881 17.324 12.160 1.00 0.00 O ATOM 0 H TYR A 170 -4.980 18.790 6.176 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.618 20.335 6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.169 17.504 5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.538 18.108 6.201 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.748 17.399 8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.536 18.226 8.350 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.883 17.046 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.673 17.914 10.810 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.999 17.466 12.564 1.00 0.00 H new ATOM 326 N GLY A 171 -3.495 20.010 3.800 1.00 0.00 N ATOM 327 CA GLY A 171 -3.168 20.514 2.450 1.00 0.00 C ATOM 328 C GLY A 171 -1.918 19.792 1.906 1.00 0.00 C ATOM 329 O GLY A 171 -1.836 18.566 1.974 1.00 0.00 O ATOM 0 H GLY A 171 -4.441 19.640 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.012 20.354 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.990 21.589 2.487 1.00 0.00 H new ATOM 333 N GLU A 172 -0.938 20.504 1.330 1.00 0.00 N ATOM 334 CA GLU A 172 0.245 19.859 0.712 1.00 0.00 C ATOM 335 C GLU A 172 1.191 19.323 1.812 1.00 0.00 C ATOM 336 O GLU A 172 2.134 18.587 1.508 1.00 0.00 O ATOM 337 CB GLU A 172 0.999 20.890 -0.154 1.00 0.00 C ATOM 338 CG GLU A 172 0.179 21.489 -1.308 1.00 0.00 C ATOM 339 CD GLU A 172 -0.238 20.430 -2.337 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.593 20.108 -3.222 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.386 19.933 -2.240 1.00 0.00 O ATOM 0 H GLU A 172 -0.935 21.523 1.276 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.087 19.028 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.341 21.701 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.888 20.414 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.712 21.972 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.765 22.263 -1.804 1.00 0.00 H new ATOM 348 N LYS A 173 0.959 19.625 3.103 1.00 0.00 N ATOM 349 CA LYS A 173 1.792 19.086 4.201 1.00 0.00 C ATOM 350 C LYS A 173 1.156 17.799 4.759 1.00 0.00 C ATOM 351 O LYS A 173 1.705 17.191 5.681 1.00 0.00 O ATOM 352 CB LYS A 173 1.902 20.132 5.327 1.00 0.00 C ATOM 353 CG LYS A 173 2.659 21.400 4.907 1.00 0.00 C ATOM 354 CD LYS A 173 2.674 22.394 6.073 1.00 0.00 C ATOM 355 CE LYS A 173 3.552 23.603 5.754 1.00 0.00 C ATOM 356 NZ LYS A 173 3.460 24.614 6.827 1.00 0.00 N ATOM 0 H LYS A 173 0.205 20.237 3.414 1.00 0.00 H new ATOM 0 HA LYS A 173 2.786 18.858 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.900 20.408 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.406 19.683 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.679 21.148 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.181 21.850 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 173 1.658 22.725 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.043 21.900 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.588 23.285 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 173 3.243 24.043 4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 4.064 25.427 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 2.474 24.931 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 3.777 24.197 7.725 1.00 0.00 H new ATOM 370 N CYS A 174 0.023 17.320 4.217 1.00 0.00 N ATOM 371 CA CYS A 174 -0.578 16.061 4.660 1.00 0.00 C ATOM 372 C CYS A 174 0.391 14.899 4.378 1.00 0.00 C ATOM 373 O CYS A 174 0.859 14.744 3.242 1.00 0.00 O ATOM 374 CB CYS A 174 -1.888 15.830 3.912 1.00 0.00 C ATOM 375 SG CYS A 174 -2.730 14.440 4.714 1.00 0.00 S ATOM 0 H CYS A 174 -0.491 17.790 3.472 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.777 16.112 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.510 16.725 3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.697 15.609 2.862 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.092 13.574 3.814 1.00 0.00 H new ATOM 380 N GLN A 175 0.743 14.076 5.366 1.00 0.00 N ATOM 381 CA GLN A 175 1.692 12.975 5.166 1.00 0.00 C ATOM 382 C GLN A 175 0.953 11.738 4.601 1.00 0.00 C ATOM 383 O GLN A 175 1.530 10.657 4.546 1.00 0.00 O ATOM 384 CB GLN A 175 2.343 12.612 6.510 1.00 0.00 C ATOM 385 CG GLN A 175 3.318 13.686 7.015 1.00 0.00 C ATOM 386 CD GLN A 175 4.375 13.074 7.935 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.438 12.644 7.503 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.141 13.004 9.227 1.00 0.00 N ATOM 0 H GLN A 175 0.384 14.150 6.318 1.00 0.00 H new ATOM 0 HA GLN A 175 2.460 13.287 4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.563 12.458 7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.875 11.666 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.804 14.169 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.768 14.460 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.262 13.357 9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.838 12.597 9.850 1.00 0.00 H new ATOM 397 N PHE A 176 -0.307 11.852 4.151 1.00 0.00 N ATOM 398 CA PHE A 176 -1.066 10.694 3.628 1.00 0.00 C ATOM 399 C PHE A 176 -1.419 10.931 2.149 1.00 0.00 C ATOM 400 O PHE A 176 -1.359 12.066 1.671 1.00 0.00 O ATOM 401 CB PHE A 176 -2.353 10.513 4.450 1.00 0.00 C ATOM 402 CG PHE A 176 -2.087 9.987 5.856 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.591 10.846 6.858 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.280 8.624 6.151 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.265 10.345 8.131 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.974 8.122 7.429 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.461 8.983 8.414 1.00 0.00 C ATOM 0 H PHE A 176 -0.825 12.731 4.137 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.457 9.793 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.873 11.468 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.018 9.824 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.460 11.897 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.665 7.960 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.866 11.004 8.888 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.133 7.077 7.653 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.216 8.596 9.392 1.00 0.00 H new ATOM 417 N ALA A 177 -1.733 9.893 1.367 1.00 0.00 N ATOM 418 CA ALA A 177 -1.918 10.035 -0.083 1.00 0.00 C ATOM 419 C ALA A 177 -3.295 10.668 -0.379 1.00 0.00 C ATOM 420 O ALA A 177 -4.325 10.046 -0.128 1.00 0.00 O ATOM 421 CB ALA A 177 -1.840 8.650 -0.741 1.00 0.00 C ATOM 0 H ALA A 177 -1.865 8.943 1.714 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.136 10.679 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -1.977 8.750 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.865 8.206 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.622 8.009 -0.334 1.00 0.00 H new ATOM 427 N HIS A 178 -3.363 11.860 -0.990 1.00 0.00 N ATOM 428 CA HIS A 178 -4.643 12.427 -1.445 1.00 0.00 C ATOM 429 C HIS A 178 -5.066 11.759 -2.770 1.00 0.00 C ATOM 430 O HIS A 178 -6.262 11.677 -3.063 1.00 0.00 O ATOM 431 CB HIS A 178 -4.486 13.949 -1.663 1.00 0.00 C ATOM 432 CG HIS A 178 -4.371 14.763 -0.393 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.162 16.123 -0.309 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.535 14.301 0.884 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.213 16.465 0.992 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.454 15.385 1.751 1.00 0.00 N ATOM 0 H HIS A 178 -2.552 12.448 -1.180 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.406 12.244 -0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.600 14.125 -2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.342 14.310 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.699 13.272 1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.079 17.467 1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.558 15.363 2.766 1.00 0.00 H new ATOM 444 N GLY A 179 -4.137 11.228 -3.578 1.00 0.00 N ATOM 445 CA GLY A 179 -4.491 10.498 -4.810 1.00 0.00 C ATOM 446 C GLY A 179 -3.768 9.149 -4.837 1.00 0.00 C ATOM 447 O GLY A 179 -2.638 9.040 -4.350 1.00 0.00 O ATOM 0 H GLY A 179 -3.134 11.289 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.569 10.344 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.215 11.087 -5.685 1.00 0.00 H new ATOM 724 N GLU A 195 3.371 -16.437 10.658 1.00 0.00 N ATOM 725 CA GLU A 195 2.880 -17.174 11.852 1.00 0.00 C ATOM 726 C GLU A 195 1.488 -16.645 12.260 1.00 0.00 C ATOM 727 O GLU A 195 1.147 -15.498 11.955 1.00 0.00 O ATOM 728 CB GLU A 195 3.866 -16.983 13.016 1.00 0.00 C ATOM 729 CG GLU A 195 5.206 -17.716 12.806 1.00 0.00 C ATOM 730 CD GLU A 195 5.068 -19.243 12.672 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.154 -19.823 13.306 1.00 0.00 O ATOM 732 OE2 GLU A 195 5.893 -19.841 11.941 1.00 0.00 O ATOM 0 HA GLU A 195 2.803 -18.234 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.059 -15.918 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.404 -17.341 13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.686 -17.324 11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.866 -17.493 13.644 1.00 0.00 H new ATOM 739 N LEU A 196 0.655 -17.437 12.953 1.00 0.00 N ATOM 740 CA LEU A 196 -0.704 -17.011 13.330 1.00 0.00 C ATOM 741 C LEU A 196 -0.628 -15.902 14.391 1.00 0.00 C ATOM 742 O LEU A 196 0.121 -16.030 15.369 1.00 0.00 O ATOM 743 CB LEU A 196 -1.483 -18.214 13.897 1.00 0.00 C ATOM 744 CG LEU A 196 -1.659 -19.400 12.926 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.512 -20.480 13.592 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.331 -19.015 11.604 1.00 0.00 C ATOM 0 H LEU A 196 0.898 -18.377 13.265 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.217 -16.628 12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -0.970 -18.570 14.791 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.470 -17.872 14.210 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.655 -19.757 12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.637 -21.319 12.907 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.019 -20.824 14.501 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.489 -20.068 13.844 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.422 -19.898 10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.322 -18.609 11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.727 -18.264 11.094 1.00 0.00 H new ATOM 758 N CYS A 197 -1.403 -14.823 14.273 1.00 0.00 N ATOM 759 CA CYS A 197 -1.429 -13.770 15.287 1.00 0.00 C ATOM 760 C CYS A 197 -2.088 -14.302 16.567 1.00 0.00 C ATOM 761 O CYS A 197 -3.263 -14.683 16.550 1.00 0.00 O ATOM 762 CB CYS A 197 -2.219 -12.571 14.755 1.00 0.00 C ATOM 763 SG CYS A 197 -2.251 -11.200 15.942 1.00 0.00 S ATOM 0 H CYS A 197 -2.024 -14.656 13.481 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.410 -13.458 15.514 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.775 -12.231 13.819 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.240 -12.880 14.530 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.739 -10.139 15.393 1.00 0.00 H new ATOM 768 N ARG A 198 -1.370 -14.372 17.691 1.00 0.00 N ATOM 769 CA ARG A 198 -1.920 -14.916 18.950 1.00 0.00 C ATOM 770 C ARG A 198 -3.169 -14.132 19.351 1.00 0.00 C ATOM 771 O ARG A 198 -4.206 -14.729 19.597 1.00 0.00 O ATOM 772 CB ARG A 198 -0.861 -14.806 20.067 1.00 0.00 C ATOM 773 CG ARG A 198 0.181 -15.940 20.064 1.00 0.00 C ATOM 774 CD ARG A 198 -0.397 -17.367 20.133 1.00 0.00 C ATOM 775 NE ARG A 198 -1.461 -17.513 21.145 1.00 0.00 N ATOM 776 CZ ARG A 198 -1.332 -17.725 22.443 1.00 0.00 C ATOM 777 NH1 ARG A 198 -0.173 -17.891 23.026 1.00 0.00 N ATOM 778 NH2 ARG A 198 -2.397 -17.770 23.192 1.00 0.00 N ATOM 0 H ARG A 198 -0.402 -14.059 17.762 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.185 -15.963 18.802 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.343 -13.852 19.968 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.367 -14.796 21.032 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.785 -15.854 19.161 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.852 -15.796 20.911 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.794 -17.639 19.155 1.00 0.00 H new ATOM 0 HD3 ARG A 198 0.407 -18.068 20.357 1.00 0.00 H new ATOM 0 HE ARG A 198 -2.418 -17.441 20.799 1.00 0.00 H new ATOM 0 HH11 ARG A 198 0.684 -17.860 22.474 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -0.127 -18.052 24.032 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -3.319 -17.642 22.775 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -2.309 -17.933 24.195 1.00 0.00 H new ATOM 792 N THR A 199 -3.128 -12.800 19.430 1.00 0.00 N ATOM 793 CA THR A 199 -4.310 -11.995 19.823 1.00 0.00 C ATOM 794 C THR A 199 -5.499 -12.303 18.888 1.00 0.00 C ATOM 795 O THR A 199 -6.596 -12.588 19.372 1.00 0.00 O ATOM 796 CB THR A 199 -3.963 -10.493 19.745 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.640 -10.265 20.197 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.863 -9.634 20.631 1.00 0.00 C ATOM 0 H THR A 199 -2.295 -12.247 19.229 1.00 0.00 H new ATOM 0 HA THR A 199 -4.589 -12.251 20.845 1.00 0.00 H new ATOM 0 HB THR A 199 -4.095 -10.218 18.699 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.435 -9.308 20.140 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.574 -8.587 20.537 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.901 -9.753 20.320 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.757 -9.947 21.670 1.00 0.00 H new ATOM 806 N PHE A 200 -5.335 -12.321 17.561 1.00 0.00 N ATOM 807 CA PHE A 200 -6.463 -12.591 16.646 1.00 0.00 C ATOM 808 C PHE A 200 -6.983 -14.041 16.861 1.00 0.00 C ATOM 809 O PHE A 200 -8.190 -14.268 16.842 1.00 0.00 O ATOM 810 CB PHE A 200 -6.003 -12.420 15.197 1.00 0.00 C ATOM 811 CG PHE A 200 -7.171 -12.382 14.228 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.906 -11.190 14.053 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.561 -13.547 13.539 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.008 -11.164 13.177 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.662 -13.519 12.665 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.384 -12.326 12.481 1.00 0.00 C ATOM 0 H PHE A 200 -4.443 -12.154 17.094 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.269 -11.887 16.855 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.427 -11.499 15.106 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.337 -13.240 14.929 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.623 -10.297 14.591 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.012 -14.466 13.683 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.566 -10.249 13.040 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -8.953 -14.414 12.135 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.226 -12.303 11.806 1.00 0.00 H new ATOM 826 N HIS A 201 -6.116 -15.039 17.048 1.00 0.00 N ATOM 827 CA HIS A 201 -6.554 -16.459 17.141 1.00 0.00 C ATOM 828 C HIS A 201 -6.859 -16.840 18.620 1.00 0.00 C ATOM 829 O HIS A 201 -7.339 -17.947 18.879 1.00 0.00 O ATOM 830 CB HIS A 201 -5.443 -17.372 16.592 1.00 0.00 C ATOM 831 CG HIS A 201 -5.410 -17.387 15.081 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.940 -18.402 14.281 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.959 -16.382 14.275 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.801 -17.985 13.013 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.219 -16.774 12.980 1.00 0.00 N ATOM 0 H HIS A 201 -5.109 -14.905 17.139 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.463 -16.587 16.553 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.478 -17.035 16.971 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.594 -18.387 16.960 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.491 -15.461 14.590 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.113 -18.543 12.143 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.006 -16.237 12.140 1.00 0.00 H new ATOM 843 N THR A 202 -6.653 -15.954 19.604 1.00 0.00 N ATOM 844 CA THR A 202 -6.966 -16.270 21.034 1.00 0.00 C ATOM 845 C THR A 202 -8.123 -15.383 21.527 1.00 0.00 C ATOM 846 O THR A 202 -8.982 -15.856 22.276 1.00 0.00 O ATOM 847 CB THR A 202 -5.721 -16.022 21.906 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.637 -16.790 21.424 1.00 0.00 O ATOM 849 CG2 THR A 202 -5.921 -16.447 23.361 1.00 0.00 C ATOM 0 H THR A 202 -6.276 -15.018 19.455 1.00 0.00 H new ATOM 0 HA THR A 202 -7.259 -17.317 21.109 1.00 0.00 H new ATOM 0 HB THR A 202 -5.533 -14.949 21.858 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.192 -16.307 20.696 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.011 -16.248 23.927 1.00 0.00 H new ATOM 0 HG22 THR A 202 -6.748 -15.884 23.794 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.148 -17.512 23.401 1.00 0.00 H new ATOM 857 N ILE A 203 -8.217 -14.108 21.117 1.00 0.00 N ATOM 858 CA ILE A 203 -9.324 -13.215 21.555 1.00 0.00 C ATOM 859 C ILE A 203 -10.324 -13.015 20.392 1.00 0.00 C ATOM 860 O ILE A 203 -11.389 -12.428 20.589 1.00 0.00 O ATOM 861 CB ILE A 203 -8.743 -11.832 21.988 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.372 -11.938 22.700 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.743 -11.127 22.931 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.852 -10.660 23.371 1.00 0.00 C ATOM 0 H ILE A 203 -7.548 -13.666 20.486 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.840 -13.671 22.400 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.588 -11.258 21.074 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.440 -12.719 23.458 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.632 -12.266 21.970 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.338 -10.161 23.234 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.689 -10.977 22.411 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -9.908 -11.745 23.814 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -5.886 -10.860 23.835 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.740 -9.876 22.622 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.560 -10.335 24.133 1.00 0.00 H new ATOM 876 N GLY A 204 -10.027 -13.477 19.166 1.00 0.00 N ATOM 877 CA GLY A 204 -10.904 -13.234 18.006 1.00 0.00 C ATOM 878 C GLY A 204 -10.754 -11.774 17.537 1.00 0.00 C ATOM 879 O GLY A 204 -11.586 -11.283 16.764 1.00 0.00 O ATOM 0 H GLY A 204 -9.190 -14.019 18.952 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.647 -13.915 17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -11.941 -13.435 18.274 1.00 0.00 H new ATOM 883 N PHE A 205 -9.733 -11.029 17.995 1.00 0.00 N ATOM 884 CA PHE A 205 -9.567 -9.614 17.629 1.00 0.00 C ATOM 885 C PHE A 205 -8.097 -9.203 17.802 1.00 0.00 C ATOM 886 O PHE A 205 -7.345 -9.888 18.497 1.00 0.00 O ATOM 887 CB PHE A 205 -10.454 -8.743 18.545 1.00 0.00 C ATOM 888 CG PHE A 205 -10.247 -7.244 18.414 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.395 -6.625 17.159 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.832 -6.480 19.522 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.142 -5.249 17.014 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.573 -5.105 19.376 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.730 -4.488 18.122 1.00 0.00 C ATOM 0 H PHE A 205 -9.010 -11.385 18.620 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.861 -9.472 16.589 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.499 -8.969 18.333 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.270 -9.029 19.580 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.704 -7.208 16.304 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.712 -6.951 20.486 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.264 -4.777 16.051 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.253 -4.523 20.228 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.534 -3.432 18.010 1.00 0.00 H new ATOM 903 N CYS A 206 -7.641 -8.093 17.205 1.00 0.00 N ATOM 904 CA CYS A 206 -6.262 -7.635 17.354 1.00 0.00 C ATOM 905 C CYS A 206 -6.217 -6.092 17.249 1.00 0.00 C ATOM 906 O CYS A 206 -6.758 -5.521 16.291 1.00 0.00 O ATOM 907 CB CYS A 206 -5.400 -8.250 16.249 1.00 0.00 C ATOM 908 SG CYS A 206 -3.665 -7.759 16.425 1.00 0.00 S ATOM 0 H CYS A 206 -8.216 -7.495 16.611 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.878 -7.942 18.327 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.479 -9.337 16.284 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.773 -7.935 15.275 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.909 -8.815 16.383 1.00 0.00 H new ATOM 913 N PRO A 207 -5.604 -5.370 18.211 1.00 0.00 N ATOM 914 CA PRO A 207 -5.613 -3.909 18.218 1.00 0.00 C ATOM 915 C PRO A 207 -4.697 -3.364 17.103 1.00 0.00 C ATOM 916 O PRO A 207 -4.730 -2.163 16.813 1.00 0.00 O ATOM 917 CB PRO A 207 -5.114 -3.418 19.578 1.00 0.00 C ATOM 918 CG PRO A 207 -4.246 -4.603 20.020 1.00 0.00 C ATOM 919 CD PRO A 207 -4.924 -5.838 19.409 1.00 0.00 C ATOM 0 HA PRO A 207 -6.628 -3.552 18.041 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.540 -2.495 19.497 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.932 -3.225 20.272 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.222 -4.497 19.663 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.199 -4.675 21.107 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.190 -6.606 19.166 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.630 -6.282 20.110 1.00 0.00 H new ATOM 927 N TYR A 208 -3.896 -4.198 16.416 1.00 0.00 N ATOM 928 CA TYR A 208 -3.059 -3.725 15.301 1.00 0.00 C ATOM 929 C TYR A 208 -3.868 -3.784 13.979 1.00 0.00 C ATOM 930 O TYR A 208 -3.506 -3.116 13.006 1.00 0.00 O ATOM 931 CB TYR A 208 -1.807 -4.611 15.184 1.00 0.00 C ATOM 932 CG TYR A 208 -0.865 -4.567 16.379 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.182 -5.251 17.571 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.343 -3.851 16.298 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.325 -5.186 18.685 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.201 -3.777 17.412 1.00 0.00 C ATOM 937 CZ TYR A 208 0.869 -4.441 18.612 1.00 0.00 C ATOM 938 OH TYR A 208 1.693 -4.371 19.694 1.00 0.00 O ATOM 0 H TYR A 208 -3.811 -5.195 16.612 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.755 -2.695 15.489 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.125 -5.642 15.031 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.253 -4.313 14.294 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.092 -5.830 17.629 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.614 -3.356 15.377 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.582 -5.707 19.596 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.118 -3.209 17.348 1.00 0.00 H new ATOM 0 HH TYR A 208 2.473 -3.819 19.476 1.00 0.00 H new ATOM 948 N GLY A 209 -5.008 -4.494 13.926 1.00 0.00 N ATOM 949 CA GLY A 209 -5.897 -4.468 12.743 1.00 0.00 C ATOM 950 C GLY A 209 -5.131 -4.960 11.492 1.00 0.00 C ATOM 951 O GLY A 209 -4.281 -5.848 11.597 1.00 0.00 O ATOM 0 H GLY A 209 -5.338 -5.092 14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.767 -5.100 12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.267 -3.456 12.578 1.00 0.00 H new ATOM 955 N PRO A 210 -5.416 -4.436 10.280 1.00 0.00 N ATOM 956 CA PRO A 210 -4.767 -4.900 9.050 1.00 0.00 C ATOM 957 C PRO A 210 -3.275 -4.487 9.052 1.00 0.00 C ATOM 958 O PRO A 210 -2.487 -5.023 8.268 1.00 0.00 O ATOM 959 CB PRO A 210 -5.473 -4.268 7.851 1.00 0.00 C ATOM 960 CG PRO A 210 -6.081 -3.010 8.486 1.00 0.00 C ATOM 961 CD PRO A 210 -6.383 -3.401 9.941 1.00 0.00 C ATOM 0 HA PRO A 210 -4.831 -5.986 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.779 -4.027 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.234 -4.924 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -5.387 -2.170 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.988 -2.704 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.286 -2.542 10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.404 -3.770 10.043 1.00 0.00 H new ATOM 969 N ARG A 211 -2.837 -3.564 9.927 1.00 0.00 N ATOM 970 CA ARG A 211 -1.414 -3.162 10.007 1.00 0.00 C ATOM 971 C ARG A 211 -0.624 -4.179 10.860 1.00 0.00 C ATOM 972 O ARG A 211 0.572 -3.987 11.092 1.00 0.00 O ATOM 973 CB ARG A 211 -1.313 -1.763 10.650 1.00 0.00 C ATOM 974 CG ARG A 211 -2.067 -0.712 9.815 1.00 0.00 C ATOM 975 CD ARG A 211 -1.632 0.725 10.119 1.00 0.00 C ATOM 976 NE ARG A 211 -1.863 1.101 11.523 1.00 0.00 N ATOM 977 CZ ARG A 211 -1.731 2.313 12.034 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.465 3.365 11.306 1.00 0.00 N ATOM 979 NH2 ARG A 211 -1.874 2.494 13.316 1.00 0.00 N ATOM 0 H ARG A 211 -3.444 -3.081 10.589 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.992 -3.137 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.724 -1.793 11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.265 -1.476 10.741 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.908 -0.917 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -3.137 -0.808 10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -0.573 0.837 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -2.176 1.411 9.469 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.151 0.358 12.160 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -1.350 3.271 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.372 4.280 11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -2.087 1.702 13.922 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -1.773 3.428 13.714 1.00 0.00 H new ATOM 993 N CYS A 212 -1.235 -5.279 11.334 1.00 0.00 N ATOM 994 CA CYS A 212 -0.522 -6.281 12.130 1.00 0.00 C ATOM 995 C CYS A 212 0.477 -7.052 11.229 1.00 0.00 C ATOM 996 O CYS A 212 0.235 -7.209 10.028 1.00 0.00 O ATOM 997 CB CYS A 212 -1.534 -7.263 12.739 1.00 0.00 C ATOM 998 SG CYS A 212 -0.776 -8.296 14.026 1.00 0.00 S ATOM 0 H CYS A 212 -2.220 -5.492 11.177 1.00 0.00 H new ATOM 0 HA CYS A 212 0.028 -5.784 12.929 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.370 -6.707 13.164 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.941 -7.900 11.954 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.478 -8.214 15.117 1.00 0.00 H new ATOM 1003 N HIS A 213 1.603 -7.534 11.758 1.00 0.00 N ATOM 1004 CA HIS A 213 2.612 -8.253 10.953 1.00 0.00 C ATOM 1005 C HIS A 213 2.340 -9.777 11.004 1.00 0.00 C ATOM 1006 O HIS A 213 3.079 -10.555 10.406 1.00 0.00 O ATOM 1007 CB HIS A 213 4.011 -7.964 11.519 1.00 0.00 C ATOM 1008 CG HIS A 213 4.427 -6.518 11.323 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.300 -6.058 10.332 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.985 -5.447 12.046 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.370 -4.724 10.489 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.588 -4.330 11.511 1.00 0.00 N ATOM 0 H HIS A 213 1.847 -7.443 12.744 1.00 0.00 H new ATOM 0 HA HIS A 213 2.555 -7.915 9.918 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.026 -8.203 12.582 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.738 -8.617 11.035 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.296 -5.471 12.877 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.969 -4.062 9.881 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.463 -3.370 11.834 1.00 0.00 H new ATOM 1020 N PHE A 214 1.313 -10.243 11.733 1.00 0.00 N ATOM 1021 CA PHE A 214 1.078 -11.692 11.938 1.00 0.00 C ATOM 1022 C PHE A 214 -0.245 -12.119 11.251 1.00 0.00 C ATOM 1023 O PHE A 214 -1.086 -11.267 10.953 1.00 0.00 O ATOM 1024 CB PHE A 214 1.003 -11.988 13.436 1.00 0.00 C ATOM 1025 CG PHE A 214 2.375 -11.875 14.079 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.888 -10.615 14.444 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.180 -13.020 14.228 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.197 -10.498 14.943 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.485 -12.907 14.738 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.997 -11.646 15.090 1.00 0.00 C ATOM 0 H PHE A 214 0.629 -9.642 12.193 1.00 0.00 H new ATOM 0 HA PHE A 214 1.901 -12.255 11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.314 -11.292 13.914 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.604 -12.990 13.593 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.272 -9.734 14.340 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.793 -13.989 13.949 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.588 -9.528 15.213 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.095 -13.790 14.860 1.00 0.00 H new ATOM 0 HZ PHE A 214 6.003 -11.559 15.473 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.439 -13.408 10.922 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.586 -13.848 10.092 1.00 0.00 C ATOM 1042 C ILE A 215 -2.890 -13.715 10.895 1.00 0.00 C ATOM 1043 O ILE A 215 -3.069 -14.403 11.906 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.388 -15.331 9.665 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.101 -15.554 8.841 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.604 -15.800 8.831 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.264 -17.033 8.644 1.00 0.00 C ATOM 0 H ILE A 215 0.179 -14.165 11.215 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.644 -13.221 9.203 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.296 -15.912 10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.222 -15.086 7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.728 -15.048 9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.462 -16.839 8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.511 -15.715 9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.697 -15.177 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.179 -17.107 8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.418 -17.502 9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.546 -17.541 8.120 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.852 -12.914 10.449 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.187 -12.879 11.057 1.00 0.00 C ATOM 1061 C HIS A 216 -6.082 -13.958 10.403 1.00 0.00 C ATOM 1062 O HIS A 216 -6.001 -15.131 10.776 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.809 -11.483 10.847 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.211 -10.435 11.756 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.661 -9.141 11.900 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.191 -10.615 12.654 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.933 -8.566 12.874 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.041 -9.433 13.372 1.00 0.00 N ATOM 0 H HIS A 216 -3.735 -12.274 9.663 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.108 -13.080 12.125 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.670 -11.180 9.809 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.884 -11.539 11.021 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.607 -11.515 12.781 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.051 -7.546 13.209 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.381 -9.260 14.130 1.00 0.00 H new