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 125:sc= 0.743 USER MOD Set 1.2: A 206 CYS SG : rot 129:sc= 0.766 USER MOD Set 1.3: A 212 CYS SG : rot 127:sc= 0.61 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.601 X(o=1.5,f=1.5) USER MOD Set 2.1: A 159 CYS SG : rot 118:sc= 0.651 USER MOD Set 2.2: A 168 CYS SG : rot 128:sc= 0.346 USER MOD Set 2.3: A 174 CYS SG : rot -130:sc= 0.645 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.506 K(o=1.1,f=0.45) USER MOD Single : A 155 LYS NZ :NH3+ -114:sc= 0.337 (180deg=-0.0248) 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=-0.00537) USER MOD Single : A 175 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 201 HIS : no HD1:sc= 0.421 K(o=0.42,f=-1.5!) USER MOD Single : A 202 THR OG1 : rot 83:sc= 0.875 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.633 8.019 3.860 1.00 0.00 N ATOM 74 CA LYS A 155 1.750 7.811 2.673 1.00 0.00 C ATOM 75 C LYS A 155 1.668 6.304 2.328 1.00 0.00 C ATOM 76 O LYS A 155 1.463 5.948 1.165 1.00 0.00 O ATOM 77 CB LYS A 155 2.309 8.604 1.463 1.00 0.00 C ATOM 78 CG LYS A 155 2.067 10.091 1.745 1.00 0.00 C ATOM 79 CD LYS A 155 2.552 10.973 0.595 1.00 0.00 C ATOM 80 CE LYS A 155 2.283 12.436 0.936 1.00 0.00 C ATOM 81 NZ LYS A 155 0.845 12.778 0.881 1.00 0.00 N ATOM 0 HA LYS A 155 0.748 8.171 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.373 8.406 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.812 8.301 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.003 10.261 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.581 10.375 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.617 10.817 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.039 10.702 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.665 12.649 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.831 13.074 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.678 13.451 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 0.289 11.915 0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.556 13.209 1.782 1.00 0.00 H new ATOM 95 N THR A 156 1.737 5.397 3.303 1.00 0.00 N ATOM 96 CA THR A 156 1.520 3.956 3.050 1.00 0.00 C ATOM 97 C THR A 156 0.040 3.616 3.262 1.00 0.00 C ATOM 98 O THR A 156 -0.387 2.504 2.950 1.00 0.00 O ATOM 99 CB THR A 156 2.380 3.125 4.020 1.00 0.00 C ATOM 100 OG1 THR A 156 2.142 3.470 5.369 1.00 0.00 O ATOM 101 CG2 THR A 156 3.870 3.325 3.745 1.00 0.00 C ATOM 0 H THR A 156 1.940 5.625 4.276 1.00 0.00 H new ATOM 0 HA THR A 156 1.804 3.723 2.024 1.00 0.00 H new ATOM 0 HB THR A 156 2.098 2.085 3.855 1.00 0.00 H new ATOM 0 HG1 THR A 156 2.705 2.919 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 156 4.453 2.726 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.097 3.014 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.125 4.378 3.869 1.00 0.00 H new ATOM 109 N GLU A 157 -0.783 4.531 3.815 1.00 0.00 N ATOM 110 CA GLU A 157 -2.200 4.244 4.118 1.00 0.00 C ATOM 111 C GLU A 157 -3.094 5.347 3.513 1.00 0.00 C ATOM 112 O GLU A 157 -2.663 6.501 3.392 1.00 0.00 O ATOM 113 CB GLU A 157 -2.397 4.200 5.648 1.00 0.00 C ATOM 114 CG GLU A 157 -3.784 3.748 6.120 1.00 0.00 C ATOM 115 CD GLU A 157 -3.968 3.817 7.645 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.965 3.714 8.391 1.00 0.00 O ATOM 117 OE2 GLU A 157 -5.141 3.959 8.068 1.00 0.00 O ATOM 0 H GLU A 157 -0.489 5.476 4.061 1.00 0.00 H new ATOM 0 HA GLU A 157 -2.476 3.282 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.651 3.530 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -2.201 5.193 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -4.541 4.370 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.956 2.724 5.788 1.00 0.00 H new ATOM 124 N LEU A 158 -4.330 5.040 3.087 1.00 0.00 N ATOM 125 CA LEU A 158 -5.211 6.030 2.439 1.00 0.00 C ATOM 126 C LEU A 158 -5.587 7.145 3.435 1.00 0.00 C ATOM 127 O LEU A 158 -5.897 6.858 4.597 1.00 0.00 O ATOM 128 CB LEU A 158 -6.488 5.336 1.957 1.00 0.00 C ATOM 129 CG LEU A 158 -6.356 4.456 0.710 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.612 3.586 0.659 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.243 5.298 -0.564 1.00 0.00 C ATOM 0 H LEU A 158 -4.744 4.112 3.179 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.683 6.470 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.870 4.720 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.238 6.101 1.757 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.450 3.853 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.569 2.936 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.670 2.977 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.494 4.223 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.151 4.640 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -7.134 5.916 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.363 5.938 -0.500 1.00 0.00 H new ATOM 143 N CYS A 159 -5.710 8.404 2.996 1.00 0.00 N ATOM 144 CA CYS A 159 -6.270 9.469 3.826 1.00 0.00 C ATOM 145 C CYS A 159 -7.801 9.357 3.826 1.00 0.00 C ATOM 146 O CYS A 159 -8.452 9.740 2.844 1.00 0.00 O ATOM 147 CB CYS A 159 -5.851 10.826 3.258 1.00 0.00 C ATOM 148 SG CYS A 159 -6.312 12.208 4.341 1.00 0.00 S ATOM 0 H CYS A 159 -5.426 8.707 2.064 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.900 9.376 4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.772 10.834 3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.313 10.965 2.281 1.00 0.00 H new ATOM 0 HG CYS A 159 -5.239 12.827 4.735 1.00 0.00 H new ATOM 153 N ARG A 160 -8.421 8.743 4.843 1.00 0.00 N ATOM 154 CA ARG A 160 -9.860 8.424 4.801 1.00 0.00 C ATOM 155 C ARG A 160 -10.703 9.732 4.894 1.00 0.00 C ATOM 156 O ARG A 160 -11.709 9.854 4.196 1.00 0.00 O ATOM 157 CB ARG A 160 -10.216 7.490 5.971 1.00 0.00 C ATOM 158 CG ARG A 160 -9.364 6.209 5.955 1.00 0.00 C ATOM 159 CD ARG A 160 -9.640 5.312 7.167 1.00 0.00 C ATOM 160 NE ARG A 160 -8.592 4.285 7.313 1.00 0.00 N ATOM 161 CZ ARG A 160 -8.481 3.140 6.661 1.00 0.00 C ATOM 162 NH1 ARG A 160 -9.377 2.719 5.807 1.00 0.00 N ATOM 163 NH2 ARG A 160 -7.437 2.385 6.859 1.00 0.00 N ATOM 0 H ARG A 160 -7.953 8.457 5.703 1.00 0.00 H new ATOM 0 HA ARG A 160 -10.086 7.926 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -10.066 8.015 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -11.272 7.226 5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.566 5.652 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -8.308 6.478 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -9.687 5.920 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -10.612 4.832 7.055 1.00 0.00 H new ATOM 0 HE ARG A 160 -7.864 4.482 8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -10.207 3.282 5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -9.246 1.828 5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -6.712 2.679 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -7.345 1.501 6.359 1.00 0.00 H new ATOM 177 N PRO A 161 -10.304 10.758 5.698 1.00 0.00 N ATOM 178 CA PRO A 161 -11.027 12.043 5.738 1.00 0.00 C ATOM 179 C PRO A 161 -11.109 12.644 4.318 1.00 0.00 C ATOM 180 O PRO A 161 -12.153 13.181 3.933 1.00 0.00 O ATOM 181 CB PRO A 161 -10.280 13.008 6.660 1.00 0.00 C ATOM 182 CG PRO A 161 -9.475 12.058 7.539 1.00 0.00 C ATOM 183 CD PRO A 161 -9.183 10.863 6.629 1.00 0.00 C ATOM 0 HA PRO A 161 -12.037 11.880 6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.637 13.689 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.964 13.623 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.555 12.524 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -10.039 11.758 8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -8.246 11.007 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -9.079 9.949 7.213 1.00 0.00 H new ATOM 191 N PHE A 162 -10.057 12.538 3.487 1.00 0.00 N ATOM 192 CA PHE A 162 -10.093 13.057 2.115 1.00 0.00 C ATOM 193 C PHE A 162 -11.045 12.201 1.261 1.00 0.00 C ATOM 194 O PHE A 162 -11.788 12.740 0.446 1.00 0.00 O ATOM 195 CB PHE A 162 -8.683 13.016 1.512 1.00 0.00 C ATOM 196 CG PHE A 162 -8.594 13.696 0.158 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.444 15.094 0.083 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.689 12.941 -1.027 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.388 15.734 -1.168 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.635 13.581 -2.279 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.483 14.977 -2.351 1.00 0.00 C ATOM 0 H PHE A 162 -9.174 12.097 3.745 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.450 14.087 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.986 13.496 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.367 11.978 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.372 15.677 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.804 11.868 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.272 16.806 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.710 12.999 -3.186 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.439 15.468 -3.312 1.00 0.00 H new ATOM 211 N GLU A 163 -11.072 10.875 1.414 1.00 0.00 N ATOM 212 CA GLU A 163 -11.977 10.021 0.621 1.00 0.00 C ATOM 213 C GLU A 163 -13.446 10.306 1.023 1.00 0.00 C ATOM 214 O GLU A 163 -14.353 10.154 0.201 1.00 0.00 O ATOM 215 CB GLU A 163 -11.654 8.548 0.887 1.00 0.00 C ATOM 216 CG GLU A 163 -10.338 8.114 0.237 1.00 0.00 C ATOM 217 CD GLU A 163 -10.110 6.621 0.479 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.892 6.246 1.656 1.00 0.00 O ATOM 219 OE2 GLU A 163 -10.177 5.850 -0.509 1.00 0.00 O ATOM 0 H GLU A 163 -10.484 10.366 2.074 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.842 10.238 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.598 8.379 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.466 7.927 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.365 8.319 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.510 8.690 0.651 1.00 0.00 H new ATOM 226 N GLU A 164 -13.728 10.658 2.289 1.00 0.00 N ATOM 227 CA GLU A 164 -15.114 10.797 2.779 1.00 0.00 C ATOM 228 C GLU A 164 -15.659 12.192 2.425 1.00 0.00 C ATOM 229 O GLU A 164 -16.819 12.314 2.018 1.00 0.00 O ATOM 230 CB GLU A 164 -15.134 10.615 4.311 1.00 0.00 C ATOM 231 CG GLU A 164 -14.938 9.157 4.751 1.00 0.00 C ATOM 232 CD GLU A 164 -14.742 9.062 6.272 1.00 0.00 C ATOM 233 OE1 GLU A 164 -15.767 8.976 6.993 1.00 0.00 O ATOM 234 OE2 GLU A 164 -13.571 9.073 6.725 1.00 0.00 O ATOM 0 H GLU A 164 -13.016 10.852 2.993 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.739 10.038 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -14.350 11.229 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -16.084 10.981 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.804 8.565 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -14.072 8.733 4.242 1.00 0.00 H new ATOM 241 N SER A 165 -14.896 13.280 2.624 1.00 0.00 N ATOM 242 CA SER A 165 -15.440 14.660 2.490 1.00 0.00 C ATOM 243 C SER A 165 -14.704 15.416 1.363 1.00 0.00 C ATOM 244 O SER A 165 -15.111 16.522 1.001 1.00 0.00 O ATOM 245 CB SER A 165 -15.257 15.412 3.816 1.00 0.00 C ATOM 246 OG SER A 165 -15.983 14.776 4.861 1.00 0.00 O ATOM 0 H SER A 165 -13.908 13.242 2.876 1.00 0.00 H new ATOM 0 HA SER A 165 -16.500 14.602 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.199 15.451 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.597 16.442 3.705 1.00 0.00 H new ATOM 0 HG SER A 165 -15.852 15.269 5.698 1.00 0.00 H new ATOM 252 N GLY A 166 -13.648 14.858 0.753 1.00 0.00 N ATOM 253 CA GLY A 166 -12.978 15.500 -0.402 1.00 0.00 C ATOM 254 C GLY A 166 -12.064 16.642 0.085 1.00 0.00 C ATOM 255 O GLY A 166 -11.556 17.414 -0.733 1.00 0.00 O ATOM 0 H GLY A 166 -13.236 13.968 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.391 14.762 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.724 15.890 -1.094 1.00 0.00 H new ATOM 259 N THR A 167 -11.847 16.813 1.402 1.00 0.00 N ATOM 260 CA THR A 167 -11.016 17.920 1.927 1.00 0.00 C ATOM 261 C THR A 167 -10.084 17.389 3.019 1.00 0.00 C ATOM 262 O THR A 167 -10.430 16.425 3.712 1.00 0.00 O ATOM 263 CB THR A 167 -11.932 19.015 2.517 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.175 20.152 2.878 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.740 18.595 3.753 1.00 0.00 C ATOM 0 H THR A 167 -12.233 16.203 2.123 1.00 0.00 H new ATOM 0 HA THR A 167 -10.420 18.342 1.118 1.00 0.00 H new ATOM 0 HB THR A 167 -12.642 19.224 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.770 20.837 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.350 19.433 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.386 17.755 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.058 18.299 4.550 1.00 0.00 H new ATOM 273 N CYS A 168 -8.898 17.985 3.232 1.00 0.00 N ATOM 274 CA CYS A 168 -7.997 17.566 4.307 1.00 0.00 C ATOM 275 C CYS A 168 -7.268 18.801 4.876 1.00 0.00 C ATOM 276 O CYS A 168 -6.626 19.543 4.121 1.00 0.00 O ATOM 277 CB CYS A 168 -6.972 16.570 3.755 1.00 0.00 C ATOM 278 SG CYS A 168 -5.996 15.907 5.129 1.00 0.00 S ATOM 0 H CYS A 168 -8.545 18.759 2.670 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.572 17.089 5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.479 15.761 3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.320 17.062 3.033 1.00 0.00 H new ATOM 0 HG CYS A 168 -6.006 14.608 5.081 1.00 0.00 H new ATOM 283 N LYS A 169 -7.367 19.087 6.179 1.00 0.00 N ATOM 284 CA LYS A 169 -6.789 20.325 6.763 1.00 0.00 C ATOM 285 C LYS A 169 -5.251 20.265 6.718 1.00 0.00 C ATOM 286 O LYS A 169 -4.591 21.292 6.896 1.00 0.00 O ATOM 287 CB LYS A 169 -7.248 20.463 8.224 1.00 0.00 C ATOM 288 CG LYS A 169 -8.777 20.474 8.403 1.00 0.00 C ATOM 289 CD LYS A 169 -9.179 20.581 9.881 1.00 0.00 C ATOM 290 CE LYS A 169 -8.774 19.334 10.680 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.224 19.435 12.083 1.00 0.00 N ATOM 0 H LYS A 169 -7.838 18.487 6.856 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.130 21.183 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.831 19.640 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.838 21.384 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.201 21.312 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.199 19.564 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.710 21.461 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.257 20.724 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.206 18.446 10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.691 19.214 10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.938 18.580 12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.792 20.270 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.260 19.526 12.110 1.00 0.00 H new ATOM 305 N TYR A 170 -4.635 19.104 6.487 1.00 0.00 N ATOM 306 CA TYR A 170 -3.168 18.997 6.436 1.00 0.00 C ATOM 307 C TYR A 170 -2.666 19.337 5.013 1.00 0.00 C ATOM 308 O TYR A 170 -1.501 19.704 4.843 1.00 0.00 O ATOM 309 CB TYR A 170 -2.748 17.571 6.805 1.00 0.00 C ATOM 310 CG TYR A 170 -2.840 17.307 8.298 1.00 0.00 C ATOM 311 CD1 TYR A 170 -4.087 17.089 8.917 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.670 17.353 9.082 1.00 0.00 C ATOM 313 CE1 TYR A 170 -4.169 16.949 10.316 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.750 17.216 10.479 1.00 0.00 C ATOM 315 CZ TYR A 170 -3.001 17.022 11.105 1.00 0.00 C ATOM 316 OH TYR A 170 -3.090 16.914 12.460 1.00 0.00 O ATOM 0 H TYR A 170 -5.125 18.223 6.332 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.730 19.700 7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.381 16.860 6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.725 17.399 6.471 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.983 17.029 8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.710 17.494 8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.128 16.785 10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.851 17.259 11.076 1.00 0.00 H new ATOM 0 HH TYR A 170 -2.195 16.984 12.853 1.00 0.00 H new ATOM 326 N GLY A 171 -3.523 19.307 3.977 1.00 0.00 N ATOM 327 CA GLY A 171 -3.139 19.759 2.626 1.00 0.00 C ATOM 328 C GLY A 171 -1.928 18.951 2.122 1.00 0.00 C ATOM 329 O GLY A 171 -1.887 17.731 2.281 1.00 0.00 O ATOM 0 H GLY A 171 -4.485 18.975 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.978 19.637 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.895 20.821 2.645 1.00 0.00 H new ATOM 333 N GLU A 172 -0.936 19.579 1.476 1.00 0.00 N ATOM 334 CA GLU A 172 0.223 18.851 0.904 1.00 0.00 C ATOM 335 C GLU A 172 1.130 18.319 2.040 1.00 0.00 C ATOM 336 O GLU A 172 2.041 17.525 1.780 1.00 0.00 O ATOM 337 CB GLU A 172 1.033 19.805 0.006 1.00 0.00 C ATOM 338 CG GLU A 172 0.236 20.241 -1.233 1.00 0.00 C ATOM 339 CD GLU A 172 1.083 21.122 -2.159 1.00 0.00 C ATOM 340 OE1 GLU A 172 1.100 22.359 -1.943 1.00 0.00 O ATOM 341 OE2 GLU A 172 1.720 20.565 -3.087 1.00 0.00 O ATOM 0 H GLU A 172 -0.906 20.588 1.333 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.140 18.009 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.322 20.685 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.953 19.313 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.105 19.360 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.654 20.788 -0.922 1.00 0.00 H new ATOM 348 N LYS A 173 0.902 18.694 3.314 1.00 0.00 N ATOM 349 CA LYS A 173 1.706 18.173 4.446 1.00 0.00 C ATOM 350 C LYS A 173 0.994 16.956 5.076 1.00 0.00 C ATOM 351 O LYS A 173 1.506 16.375 6.037 1.00 0.00 O ATOM 352 CB LYS A 173 1.878 19.275 5.506 1.00 0.00 C ATOM 353 CG LYS A 173 2.626 20.510 4.974 1.00 0.00 C ATOM 354 CD LYS A 173 2.836 21.526 6.106 1.00 0.00 C ATOM 355 CE LYS A 173 3.635 22.754 5.655 1.00 0.00 C ATOM 356 NZ LYS A 173 2.888 23.573 4.675 1.00 0.00 N ATOM 0 H LYS A 173 0.172 19.352 3.588 1.00 0.00 H new ATOM 0 HA LYS A 173 2.686 17.866 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.896 19.580 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.420 18.869 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.589 20.211 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.058 20.968 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 173 1.866 21.847 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.357 21.042 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.882 23.364 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.578 22.431 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 3.450 24.411 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 2.703 23.009 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 1.985 23.875 5.092 1.00 0.00 H new ATOM 370 N CYS A 174 -0.153 16.500 4.545 1.00 0.00 N ATOM 371 CA CYS A 174 -0.809 15.287 5.035 1.00 0.00 C ATOM 372 C CYS A 174 0.130 14.082 4.851 1.00 0.00 C ATOM 373 O CYS A 174 0.660 13.873 3.754 1.00 0.00 O ATOM 374 CB CYS A 174 -2.100 15.056 4.252 1.00 0.00 C ATOM 375 SG CYS A 174 -3.006 13.730 5.093 1.00 0.00 S ATOM 0 H CYS A 174 -0.642 16.958 3.775 1.00 0.00 H new ATOM 0 HA CYS A 174 -1.042 15.402 6.093 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.697 15.967 4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.880 14.778 3.221 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.363 12.830 4.225 1.00 0.00 H new ATOM 380 N GLN A 175 0.380 13.275 5.881 1.00 0.00 N ATOM 381 CA GLN A 175 1.277 12.120 5.769 1.00 0.00 C ATOM 382 C GLN A 175 0.499 10.901 5.218 1.00 0.00 C ATOM 383 O GLN A 175 1.015 9.788 5.241 1.00 0.00 O ATOM 384 CB GLN A 175 1.848 11.779 7.151 1.00 0.00 C ATOM 385 CG GLN A 175 2.772 12.872 7.712 1.00 0.00 C ATOM 386 CD GLN A 175 3.667 12.401 8.868 1.00 0.00 C ATOM 387 OE1 GLN A 175 4.649 13.048 9.212 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.413 11.271 9.500 1.00 0.00 N ATOM 0 H GLN A 175 -0.027 13.399 6.808 1.00 0.00 H new ATOM 0 HA GLN A 175 2.091 12.364 5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.025 11.616 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.402 10.842 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.404 13.248 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.162 13.708 8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 175 2.603 10.710 9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.027 10.958 10.252 1.00 0.00 H new ATOM 397 N PHE A 176 -0.736 11.060 4.714 1.00 0.00 N ATOM 398 CA PHE A 176 -1.538 9.918 4.215 1.00 0.00 C ATOM 399 C PHE A 176 -1.854 10.121 2.719 1.00 0.00 C ATOM 400 O PHE A 176 -1.652 11.216 2.186 1.00 0.00 O ATOM 401 CB PHE A 176 -2.846 9.826 5.016 1.00 0.00 C ATOM 402 CG PHE A 176 -2.634 9.404 6.462 1.00 0.00 C ATOM 403 CD1 PHE A 176 -2.265 10.353 7.434 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.770 8.052 6.834 1.00 0.00 C ATOM 405 CE1 PHE A 176 -2.022 9.955 8.761 1.00 0.00 C ATOM 406 CE2 PHE A 176 -2.530 7.652 8.161 1.00 0.00 C ATOM 407 CZ PHE A 176 -2.151 8.605 9.123 1.00 0.00 C ATOM 0 H PHE A 176 -1.204 11.963 4.639 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.973 8.994 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -3.346 10.795 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.513 9.114 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -2.168 11.393 7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -3.060 7.319 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.736 10.688 9.501 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.637 6.614 8.441 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.959 8.298 10.141 1.00 0.00 H new ATOM 417 N ALA A 177 -2.268 9.085 1.985 1.00 0.00 N ATOM 418 CA ALA A 177 -2.425 9.172 0.525 1.00 0.00 C ATOM 419 C ALA A 177 -3.784 9.826 0.175 1.00 0.00 C ATOM 420 O ALA A 177 -4.838 9.221 0.409 1.00 0.00 O ATOM 421 CB ALA A 177 -2.360 7.765 -0.075 1.00 0.00 C ATOM 0 H ALA A 177 -2.502 8.172 2.376 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.623 9.784 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.476 7.825 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.397 7.312 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -3.161 7.154 0.342 1.00 0.00 H new ATOM 427 N HIS A 178 -3.816 10.999 -0.471 1.00 0.00 N ATOM 428 CA HIS A 178 -5.074 11.560 -1.011 1.00 0.00 C ATOM 429 C HIS A 178 -5.431 10.846 -2.339 1.00 0.00 C ATOM 430 O HIS A 178 -6.605 10.770 -2.701 1.00 0.00 O ATOM 431 CB HIS A 178 -4.893 13.071 -1.268 1.00 0.00 C ATOM 432 CG HIS A 178 -4.704 13.911 -0.022 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.319 15.235 0.025 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.938 13.518 1.266 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.322 15.617 1.317 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.700 14.601 2.107 1.00 0.00 N ATOM 0 H HIS A 178 -2.993 11.579 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.879 11.408 -0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -4.030 13.213 -1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.765 13.440 -1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.254 12.534 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.057 16.604 1.668 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.794 14.619 3.122 1.00 0.00 H new ATOM 444 N GLY A 179 -4.463 10.262 -3.065 1.00 0.00 N ATOM 445 CA GLY A 179 -4.759 9.450 -4.262 1.00 0.00 C ATOM 446 C GLY A 179 -3.844 8.220 -4.289 1.00 0.00 C ATOM 447 O GLY A 179 -2.770 8.237 -3.682 1.00 0.00 O ATOM 0 H GLY A 179 -3.470 10.336 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.804 9.138 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.611 10.045 -5.163 1.00 0.00 H new ATOM 724 N GLU A 195 3.158 -16.017 10.401 1.00 0.00 N ATOM 725 CA GLU A 195 2.634 -16.625 11.648 1.00 0.00 C ATOM 726 C GLU A 195 1.248 -16.036 11.969 1.00 0.00 C ATOM 727 O GLU A 195 0.980 -14.875 11.652 1.00 0.00 O ATOM 728 CB GLU A 195 3.599 -16.327 12.811 1.00 0.00 C ATOM 729 CG GLU A 195 4.917 -17.114 12.744 1.00 0.00 C ATOM 730 CD GLU A 195 4.736 -18.582 13.144 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.759 -18.860 14.367 1.00 0.00 O ATOM 732 OE2 GLU A 195 4.555 -19.429 12.238 1.00 0.00 O ATOM 0 HA GLU A 195 2.547 -17.703 11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.824 -15.261 12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.099 -16.554 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.318 -17.062 11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.650 -16.648 13.402 1.00 0.00 H new ATOM 739 N LEU A 196 0.339 -16.786 12.611 1.00 0.00 N ATOM 740 CA LEU A 196 -1.002 -16.276 12.948 1.00 0.00 C ATOM 741 C LEU A 196 -0.883 -15.159 13.998 1.00 0.00 C ATOM 742 O LEU A 196 -0.193 -15.332 15.008 1.00 0.00 O ATOM 743 CB LEU A 196 -1.864 -17.424 13.511 1.00 0.00 C ATOM 744 CG LEU A 196 -2.101 -18.607 12.550 1.00 0.00 C ATOM 745 CD1 LEU A 196 -3.014 -19.632 13.222 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.747 -18.191 11.225 1.00 0.00 C ATOM 0 H LEU A 196 0.507 -17.747 12.908 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.472 -15.877 12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.388 -17.803 14.416 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.832 -17.018 13.806 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.119 -19.024 12.326 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -3.183 -20.469 12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.543 -19.994 14.136 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.968 -19.165 13.466 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.886 -19.070 10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.714 -17.729 11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.101 -17.477 10.714 1.00 0.00 H new ATOM 758 N CYS A 197 -1.546 -14.017 13.824 1.00 0.00 N ATOM 759 CA CYS A 197 -1.501 -12.930 14.809 1.00 0.00 C ATOM 760 C CYS A 197 -2.226 -13.365 16.091 1.00 0.00 C ATOM 761 O CYS A 197 -3.426 -13.663 16.059 1.00 0.00 O ATOM 762 CB CYS A 197 -2.178 -11.686 14.225 1.00 0.00 C ATOM 763 SG CYS A 197 -2.132 -10.269 15.355 1.00 0.00 S ATOM 0 H CYS A 197 -2.124 -13.817 13.008 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.463 -12.697 15.048 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.688 -11.416 13.290 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.215 -11.921 13.985 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.593 -9.251 14.753 1.00 0.00 H new ATOM 768 N ARG A 198 -1.536 -13.447 17.234 1.00 0.00 N ATOM 769 CA ARG A 198 -2.142 -13.931 18.497 1.00 0.00 C ATOM 770 C ARG A 198 -3.352 -13.067 18.853 1.00 0.00 C ATOM 771 O ARG A 198 -4.430 -13.595 19.088 1.00 0.00 O ATOM 772 CB ARG A 198 -1.099 -13.852 19.633 1.00 0.00 C ATOM 773 CG ARG A 198 0.067 -14.831 19.437 1.00 0.00 C ATOM 774 CD ARG A 198 1.213 -14.565 20.427 1.00 0.00 C ATOM 775 NE ARG A 198 2.511 -15.040 19.907 1.00 0.00 N ATOM 776 CZ ARG A 198 2.946 -16.283 19.802 1.00 0.00 C ATOM 777 NH1 ARG A 198 2.282 -17.313 20.258 1.00 0.00 N ATOM 778 NH2 ARG A 198 4.089 -16.513 19.214 1.00 0.00 N ATOM 0 H ARG A 198 -0.554 -13.185 17.319 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.463 -14.965 18.369 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.709 -12.836 19.692 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.588 -14.062 20.584 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -0.292 -15.852 19.563 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.442 -14.749 18.417 1.00 0.00 H new ATOM 0 HD2 ARG A 198 1.274 -13.496 20.634 1.00 0.00 H new ATOM 0 HD3 ARG A 198 0.998 -15.061 21.373 1.00 0.00 H new ATOM 0 HE ARG A 198 3.154 -14.315 19.588 1.00 0.00 H new ATOM 0 HH11 ARG A 198 1.383 -17.176 20.721 1.00 0.00 H new ATOM 0 HH12 ARG A 198 2.663 -18.253 20.151 1.00 0.00 H new ATOM 0 HH21 ARG A 198 4.636 -15.737 18.841 1.00 0.00 H new ATOM 0 HH22 ARG A 198 4.435 -17.469 19.127 1.00 0.00 H new ATOM 792 N THR A 199 -3.224 -11.738 18.924 1.00 0.00 N ATOM 793 CA THR A 199 -4.345 -10.850 19.312 1.00 0.00 C ATOM 794 C THR A 199 -5.536 -11.043 18.351 1.00 0.00 C ATOM 795 O THR A 199 -6.664 -11.218 18.812 1.00 0.00 O ATOM 796 CB THR A 199 -3.878 -9.379 19.273 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.559 -9.264 19.781 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.736 -8.452 20.124 1.00 0.00 C ATOM 0 H THR A 199 -2.355 -11.244 18.719 1.00 0.00 H new ATOM 0 HA THR A 199 -4.664 -11.104 20.323 1.00 0.00 H new ATOM 0 HB THR A 199 -3.949 -9.087 18.225 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.276 -8.326 19.748 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.353 -7.434 20.052 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.765 -8.479 19.767 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.704 -8.779 21.163 1.00 0.00 H new ATOM 806 N PHE A 200 -5.350 -11.081 17.031 1.00 0.00 N ATOM 807 CA PHE A 200 -6.482 -11.270 16.099 1.00 0.00 C ATOM 808 C PHE A 200 -7.110 -12.674 16.313 1.00 0.00 C ATOM 809 O PHE A 200 -8.332 -12.810 16.284 1.00 0.00 O ATOM 810 CB PHE A 200 -5.993 -11.137 14.658 1.00 0.00 C ATOM 811 CG PHE A 200 -7.153 -11.075 13.677 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.836 -9.859 13.459 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.591 -12.243 13.022 1.00 0.00 C ATOM 814 CE1 PHE A 200 -8.930 -9.811 12.575 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.684 -12.193 12.138 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.352 -10.977 11.911 1.00 0.00 C ATOM 0 H PHE A 200 -4.441 -10.985 16.579 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.236 -10.507 16.293 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.385 -10.237 14.561 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.352 -11.983 14.411 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.518 -8.963 13.972 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.085 -13.181 13.199 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.446 -8.878 12.406 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.010 -13.090 11.633 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.188 -10.938 11.228 1.00 0.00 H new ATOM 826 N HIS A 201 -6.325 -13.725 16.553 1.00 0.00 N ATOM 827 CA HIS A 201 -6.871 -15.101 16.701 1.00 0.00 C ATOM 828 C HIS A 201 -7.273 -15.369 18.185 1.00 0.00 C ATOM 829 O HIS A 201 -7.815 -16.435 18.487 1.00 0.00 O ATOM 830 CB HIS A 201 -5.805 -16.123 16.262 1.00 0.00 C ATOM 831 CG HIS A 201 -5.727 -16.234 14.755 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.274 -17.275 14.001 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.237 -15.287 13.900 1.00 0.00 C ATOM 834 CE1 HIS A 201 -6.104 -16.933 12.713 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.487 -15.741 12.624 1.00 0.00 N ATOM 0 H HIS A 201 -5.312 -13.664 16.651 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.757 -15.200 16.074 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.833 -15.828 16.656 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -6.039 -17.099 16.688 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.749 -14.363 14.172 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.418 -17.530 11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.246 -15.256 11.760 1.00 0.00 H new ATOM 843 N THR A 202 -7.079 -14.424 19.120 1.00 0.00 N ATOM 844 CA THR A 202 -7.467 -14.633 20.551 1.00 0.00 C ATOM 845 C THR A 202 -8.601 -13.667 20.930 1.00 0.00 C ATOM 846 O THR A 202 -9.522 -14.055 21.652 1.00 0.00 O ATOM 847 CB THR A 202 -6.248 -14.380 21.460 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.216 -15.285 21.133 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.544 -14.604 22.945 1.00 0.00 C ATOM 0 H THR A 202 -6.662 -13.513 18.928 1.00 0.00 H new ATOM 0 HA THR A 202 -7.811 -15.659 20.682 1.00 0.00 H new ATOM 0 HB THR A 202 -5.971 -13.338 21.297 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.707 -14.939 20.371 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.644 -14.409 23.529 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.337 -13.928 23.264 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.862 -15.635 23.101 1.00 0.00 H new ATOM 857 N ILE A 203 -8.598 -12.410 20.457 1.00 0.00 N ATOM 858 CA ILE A 203 -9.669 -11.436 20.790 1.00 0.00 C ATOM 859 C ILE A 203 -10.610 -11.263 19.575 1.00 0.00 C ATOM 860 O ILE A 203 -11.665 -10.636 19.697 1.00 0.00 O ATOM 861 CB ILE A 203 -9.027 -10.057 21.154 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.733 -10.199 21.991 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.035 -9.179 21.923 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.158 -8.908 22.594 1.00 0.00 C ATOM 0 H ILE A 203 -7.872 -12.038 19.845 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.241 -11.806 21.641 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.760 -9.584 20.209 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.929 -10.897 22.805 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.967 -10.651 21.360 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.572 -8.223 22.168 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.915 -9.007 21.303 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.332 -9.685 22.842 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.254 -9.140 23.156 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.918 -8.208 21.794 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.894 -8.458 23.260 1.00 0.00 H new ATOM 876 N GLY A 204 -10.268 -11.779 18.385 1.00 0.00 N ATOM 877 CA GLY A 204 -11.064 -11.531 17.168 1.00 0.00 C ATOM 878 C GLY A 204 -10.746 -10.126 16.619 1.00 0.00 C ATOM 879 O GLY A 204 -11.403 -9.667 15.681 1.00 0.00 O ATOM 0 H GLY A 204 -9.449 -12.369 18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.840 -12.286 16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.127 -11.612 17.394 1.00 0.00 H new ATOM 883 N PHE A 205 -9.760 -9.401 17.176 1.00 0.00 N ATOM 884 CA PHE A 205 -9.431 -8.046 16.723 1.00 0.00 C ATOM 885 C PHE A 205 -7.944 -7.764 16.981 1.00 0.00 C ATOM 886 O PHE A 205 -7.321 -8.442 17.801 1.00 0.00 O ATOM 887 CB PHE A 205 -10.288 -7.027 17.495 1.00 0.00 C ATOM 888 CG PHE A 205 -10.005 -5.574 17.151 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.288 -5.093 15.859 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.395 -4.723 18.095 1.00 0.00 C ATOM 891 CE1 PHE A 205 -9.974 -3.766 15.515 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.076 -3.397 17.749 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.368 -2.918 16.459 1.00 0.00 C ATOM 0 H PHE A 205 -9.177 -9.736 17.943 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.635 -7.960 15.656 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.340 -7.235 17.300 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.127 -7.172 18.563 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.747 -5.744 15.130 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.172 -5.090 19.086 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.199 -3.398 14.525 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.607 -2.747 18.473 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.127 -1.899 16.194 1.00 0.00 H new ATOM 903 N CYS A 206 -7.338 -6.755 16.338 1.00 0.00 N ATOM 904 CA CYS A 206 -5.933 -6.416 16.566 1.00 0.00 C ATOM 905 C CYS A 206 -5.760 -4.885 16.517 1.00 0.00 C ATOM 906 O CYS A 206 -6.216 -4.241 15.563 1.00 0.00 O ATOM 907 CB CYS A 206 -5.072 -7.065 15.483 1.00 0.00 C ATOM 908 SG CYS A 206 -3.313 -6.741 15.781 1.00 0.00 S ATOM 0 H CYS A 206 -7.805 -6.160 15.654 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.622 -6.784 17.544 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.251 -8.140 15.465 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.357 -6.678 14.505 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.654 -7.861 15.752 1.00 0.00 H new ATOM 913 N PRO A 207 -5.120 -4.250 17.520 1.00 0.00 N ATOM 914 CA PRO A 207 -5.000 -2.799 17.571 1.00 0.00 C ATOM 915 C PRO A 207 -4.022 -2.308 16.487 1.00 0.00 C ATOM 916 O PRO A 207 -3.962 -1.105 16.218 1.00 0.00 O ATOM 917 CB PRO A 207 -4.482 -2.394 18.952 1.00 0.00 C ATOM 918 CG PRO A 207 -3.750 -3.667 19.389 1.00 0.00 C ATOM 919 CD PRO A 207 -4.526 -4.813 18.722 1.00 0.00 C ATOM 0 HA PRO A 207 -5.976 -2.347 17.391 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.815 -1.533 18.904 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.292 -2.132 19.633 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.708 -3.655 19.068 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -3.748 -3.770 20.474 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.863 -5.643 18.477 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.293 -5.205 19.390 1.00 0.00 H new ATOM 927 N TYR A 208 -3.257 -3.187 15.811 1.00 0.00 N ATOM 928 CA TYR A 208 -2.343 -2.752 14.742 1.00 0.00 C ATOM 929 C TYR A 208 -3.115 -2.669 13.399 1.00 0.00 C ATOM 930 O TYR A 208 -2.673 -1.980 12.475 1.00 0.00 O ATOM 931 CB TYR A 208 -1.181 -3.754 14.612 1.00 0.00 C ATOM 932 CG TYR A 208 -0.231 -3.861 15.796 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.654 -4.425 17.018 1.00 0.00 C ATOM 934 CD2 TYR A 208 1.107 -3.442 15.659 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.226 -4.503 18.114 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.990 -3.519 16.752 1.00 0.00 C ATOM 937 CZ TYR A 208 1.551 -4.037 17.988 1.00 0.00 C ATOM 938 OH TYR A 208 2.397 -4.100 19.052 1.00 0.00 O ATOM 0 H TYR A 208 -3.254 -4.192 15.985 1.00 0.00 H new ATOM 0 HA TYR A 208 -1.942 -1.769 14.989 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.603 -4.741 14.425 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -0.597 -3.485 13.732 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.662 -4.800 17.114 1.00 0.00 H new ATOM 0 HD2 TYR A 208 1.457 -3.060 14.711 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.113 -4.920 19.051 1.00 0.00 H new ATOM 0 HE2 TYR A 208 3.010 -3.180 16.644 1.00 0.00 H new ATOM 0 HH TYR A 208 3.272 -3.739 18.796 1.00 0.00 H new ATOM 948 N GLY A 209 -4.302 -3.285 13.274 1.00 0.00 N ATOM 949 CA GLY A 209 -5.149 -3.125 12.075 1.00 0.00 C ATOM 950 C GLY A 209 -4.398 -3.636 10.822 1.00 0.00 C ATOM 951 O GLY A 209 -3.675 -4.634 10.900 1.00 0.00 O ATOM 0 H GLY A 209 -4.699 -3.898 13.986 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.080 -3.678 12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.416 -2.076 11.946 1.00 0.00 H new ATOM 955 N PRO A 210 -4.563 -3.008 9.638 1.00 0.00 N ATOM 956 CA PRO A 210 -3.947 -3.491 8.397 1.00 0.00 C ATOM 957 C PRO A 210 -2.414 -3.265 8.443 1.00 0.00 C ATOM 958 O PRO A 210 -1.684 -3.820 7.617 1.00 0.00 O ATOM 959 CB PRO A 210 -4.546 -2.723 7.219 1.00 0.00 C ATOM 960 CG PRO A 210 -5.002 -1.427 7.907 1.00 0.00 C ATOM 961 CD PRO A 210 -5.378 -1.839 9.337 1.00 0.00 C ATOM 0 HA PRO A 210 -4.140 -4.558 8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -3.813 -2.536 6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.376 -3.258 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -4.207 -0.682 7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -5.853 -0.985 7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.180 -1.032 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -6.440 -2.073 9.411 1.00 0.00 H new ATOM 969 N ARG A 211 -1.880 -2.486 9.399 1.00 0.00 N ATOM 970 CA ARG A 211 -0.419 -2.268 9.523 1.00 0.00 C ATOM 971 C ARG A 211 0.223 -3.435 10.299 1.00 0.00 C ATOM 972 O ARG A 211 1.433 -3.412 10.546 1.00 0.00 O ATOM 973 CB ARG A 211 -0.158 -0.952 10.276 1.00 0.00 C ATOM 974 CG ARG A 211 -0.729 0.300 9.578 1.00 0.00 C ATOM 975 CD ARG A 211 -2.096 0.732 10.124 1.00 0.00 C ATOM 976 NE ARG A 211 -1.996 1.145 11.533 1.00 0.00 N ATOM 977 CZ ARG A 211 -2.037 2.368 12.030 1.00 0.00 C ATOM 978 NH1 ARG A 211 -2.269 3.440 11.318 1.00 0.00 N ATOM 979 NH2 ARG A 211 -1.837 2.539 13.305 1.00 0.00 N ATOM 0 H ARG A 211 -2.434 -1.994 10.100 1.00 0.00 H new ATOM 0 HA ARG A 211 0.019 -2.215 8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -0.589 -1.026 11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.917 -0.825 10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -0.024 1.123 9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -0.819 0.102 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -2.486 1.556 9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -2.805 -0.091 10.032 1.00 0.00 H new ATOM 0 HE ARG A 211 -1.880 0.392 12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -2.432 3.360 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -2.287 4.356 11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -1.652 1.735 13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -1.865 3.477 13.704 1.00 0.00 H new ATOM 993 N CYS A 212 -0.534 -4.462 10.725 1.00 0.00 N ATOM 994 CA CYS A 212 0.024 -5.559 11.517 1.00 0.00 C ATOM 995 C CYS A 212 0.949 -6.429 10.630 1.00 0.00 C ATOM 996 O CYS A 212 0.697 -6.580 9.429 1.00 0.00 O ATOM 997 CB CYS A 212 -1.116 -6.418 12.078 1.00 0.00 C ATOM 998 SG CYS A 212 -0.488 -7.512 13.386 1.00 0.00 S ATOM 0 H CYS A 212 -1.532 -4.550 10.531 1.00 0.00 H new ATOM 0 HA CYS A 212 0.606 -5.148 12.342 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -1.903 -5.777 12.476 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.561 -7.011 11.280 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.200 -7.355 14.462 1.00 0.00 H new ATOM 1003 N HIS A 213 2.021 -7.008 11.171 1.00 0.00 N ATOM 1004 CA HIS A 213 2.971 -7.813 10.383 1.00 0.00 C ATOM 1005 C HIS A 213 2.577 -9.310 10.450 1.00 0.00 C ATOM 1006 O HIS A 213 3.265 -10.153 9.869 1.00 0.00 O ATOM 1007 CB HIS A 213 4.384 -7.633 10.958 1.00 0.00 C ATOM 1008 CG HIS A 213 4.947 -6.250 10.694 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.948 -5.950 9.766 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.552 -5.091 11.298 1.00 0.00 C ATOM 1011 CE1 HIS A 213 6.148 -4.623 9.849 1.00 0.00 C ATOM 1012 NE2 HIS A 213 5.322 -4.083 10.764 1.00 0.00 N ATOM 0 H HIS A 213 2.260 -6.937 12.160 1.00 0.00 H new ATOM 0 HA HIS A 213 2.948 -7.483 9.344 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.361 -7.813 12.033 1.00 0.00 H new ATOM 0 HB3 HIS A 213 5.047 -8.381 10.524 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.784 -4.986 12.050 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.868 -4.070 9.265 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.275 -3.096 11.018 1.00 0.00 H new ATOM 1020 N PHE A 214 1.521 -9.691 11.188 1.00 0.00 N ATOM 1021 CA PHE A 214 1.191 -11.120 11.421 1.00 0.00 C ATOM 1022 C PHE A 214 -0.161 -11.462 10.747 1.00 0.00 C ATOM 1023 O PHE A 214 -0.926 -10.562 10.400 1.00 0.00 O ATOM 1024 CB PHE A 214 1.100 -11.383 12.924 1.00 0.00 C ATOM 1025 CG PHE A 214 2.458 -11.301 13.594 1.00 0.00 C ATOM 1026 CD1 PHE A 214 3.007 -10.054 13.949 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.204 -12.472 13.805 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.301 -9.980 14.497 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.495 -12.404 14.361 1.00 0.00 C ATOM 1030 CZ PHE A 214 5.043 -11.156 14.702 1.00 0.00 C ATOM 0 H PHE A 214 0.879 -9.037 11.635 1.00 0.00 H new ATOM 0 HA PHE A 214 1.972 -11.746 10.991 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.426 -10.658 13.380 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.670 -12.370 13.095 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.433 -9.151 13.800 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.784 -13.431 13.539 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.723 -9.021 14.760 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.063 -13.308 14.525 1.00 0.00 H new ATOM 0 HZ PHE A 214 6.036 -11.100 15.122 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.465 -12.747 10.480 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.626 -13.118 9.643 1.00 0.00 C ATOM 1042 C ILE A 215 -2.930 -12.894 10.424 1.00 0.00 C ATOM 1043 O ILE A 215 -3.181 -13.582 11.418 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.519 -14.614 9.233 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.228 -14.954 8.455 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.742 -14.992 8.360 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.020 -16.463 8.309 1.00 0.00 C ATOM 0 H ILE A 215 0.072 -13.541 10.828 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.632 -12.494 8.749 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.493 -15.188 10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.282 -14.505 7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.623 -14.501 8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.672 -16.040 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.658 -14.834 8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.758 -14.368 7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.943 -16.628 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.106 -16.915 9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.813 -16.918 7.773 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.807 -11.998 9.990 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.159 -11.886 10.559 1.00 0.00 C ATOM 1061 C HIS A 216 -6.080 -12.936 9.896 1.00 0.00 C ATOM 1062 O HIS A 216 -6.097 -14.093 10.324 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.708 -10.468 10.303 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.040 -9.415 11.158 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.335 -8.069 11.164 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.081 -9.625 12.116 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.574 -7.489 12.110 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -3.812 -8.405 12.726 1.00 0.00 N ATOM 0 H HIS A 216 -3.612 -11.332 9.243 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.123 -12.066 11.633 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.571 -10.215 9.252 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.781 -10.459 10.496 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.617 -10.571 12.354 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.576 -6.434 12.341 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.161 -8.239 13.494 1.00 0.00 H new