USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=13 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= 0.715 USER MOD Set 1.2: A 206 CYS SG : rot 128:sc= 0.523 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.563 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.703 X(o=1.1,f=0.71) USER MOD Set 2.1: A 159 CYS SG : rot 120:sc= 0.345 USER MOD Set 2.2: A 168 CYS SG : rot 121:sc= 0.489 USER MOD Set 2.3: A 174 CYS SG : rot -133:sc= 0.443 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.346 K(o=0.93,f=0.41) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 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= 0.0234 USER MOD Single : A 201 HIS : no HD1:sc= 0.456 K(o=0.46,f=-1.6!) USER MOD Single : A 202 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 3.064 9.505 2.605 1.00 0.00 N ATOM 74 CA LYS A 155 2.060 9.054 1.598 1.00 0.00 C ATOM 75 C LYS A 155 2.118 7.515 1.433 1.00 0.00 C ATOM 76 O LYS A 155 1.820 7.003 0.357 1.00 0.00 O ATOM 77 CB LYS A 155 2.340 9.745 0.234 1.00 0.00 C ATOM 78 CG LYS A 155 2.030 11.243 0.399 1.00 0.00 C ATOM 79 CD LYS A 155 1.843 11.991 -0.925 1.00 0.00 C ATOM 80 CE LYS A 155 1.296 13.390 -0.622 1.00 0.00 C ATOM 81 NZ LYS A 155 1.189 14.208 -1.847 1.00 0.00 N ATOM 0 HA LYS A 155 1.064 9.330 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.379 9.599 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.720 9.310 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.125 11.352 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.840 11.712 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.792 12.063 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.155 11.448 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.315 13.305 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 155 1.949 13.889 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.816 15.148 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.129 14.310 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.547 13.743 -2.520 1.00 0.00 H new ATOM 95 N THR A 156 2.397 6.741 2.484 1.00 0.00 N ATOM 96 CA THR A 156 2.256 5.263 2.425 1.00 0.00 C ATOM 97 C THR A 156 0.831 4.864 2.829 1.00 0.00 C ATOM 98 O THR A 156 0.414 3.732 2.577 1.00 0.00 O ATOM 99 CB THR A 156 3.261 4.605 3.381 1.00 0.00 C ATOM 100 OG1 THR A 156 3.159 5.055 4.712 1.00 0.00 O ATOM 101 CG2 THR A 156 4.694 4.781 2.878 1.00 0.00 C ATOM 0 H THR A 156 2.720 7.097 3.384 1.00 0.00 H new ATOM 0 HA THR A 156 2.453 4.927 1.407 1.00 0.00 H new ATOM 0 HB THR A 156 3.003 3.546 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.825 4.595 5.265 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.385 4.305 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.794 4.320 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.926 5.844 2.805 1.00 0.00 H new ATOM 109 N GLU A 157 0.029 5.764 3.438 1.00 0.00 N ATOM 110 CA GLU A 157 -1.360 5.448 3.831 1.00 0.00 C ATOM 111 C GLU A 157 -2.309 6.537 3.301 1.00 0.00 C ATOM 112 O GLU A 157 -1.909 7.699 3.167 1.00 0.00 O ATOM 113 CB GLU A 157 -1.455 5.384 5.371 1.00 0.00 C ATOM 114 CG GLU A 157 -2.832 4.997 5.931 1.00 0.00 C ATOM 115 CD GLU A 157 -3.261 3.596 5.483 1.00 0.00 C ATOM 116 OE1 GLU A 157 -3.889 3.495 4.403 1.00 0.00 O ATOM 117 OE2 GLU A 157 -2.952 2.618 6.202 1.00 0.00 O ATOM 0 H GLU A 157 0.320 6.714 3.668 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.646 4.485 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.719 4.666 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.177 6.357 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -2.805 5.037 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.574 5.725 5.604 1.00 0.00 H new ATOM 124 N LEU A 158 -3.561 6.210 2.942 1.00 0.00 N ATOM 125 CA LEU A 158 -4.493 7.191 2.353 1.00 0.00 C ATOM 126 C LEU A 158 -4.861 8.264 3.389 1.00 0.00 C ATOM 127 O LEU A 158 -5.086 7.941 4.560 1.00 0.00 O ATOM 128 CB LEU A 158 -5.771 6.472 1.901 1.00 0.00 C ATOM 129 CG LEU A 158 -5.681 5.660 0.607 1.00 0.00 C ATOM 130 CD1 LEU A 158 -6.967 4.842 0.510 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.549 6.556 -0.635 1.00 0.00 C ATOM 0 H LEU A 158 -3.953 5.274 3.049 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.010 7.667 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.086 5.803 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.557 7.218 1.781 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.792 5.030 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -6.950 4.244 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.046 4.184 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -7.825 5.514 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.489 5.934 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.418 7.209 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.646 7.161 -0.553 1.00 0.00 H new ATOM 143 N CYS A 159 -5.067 9.521 2.986 1.00 0.00 N ATOM 144 CA CYS A 159 -5.625 10.539 3.867 1.00 0.00 C ATOM 145 C CYS A 159 -7.143 10.335 3.969 1.00 0.00 C ATOM 146 O CYS A 159 -7.873 10.628 3.014 1.00 0.00 O ATOM 147 CB CYS A 159 -5.325 11.926 3.292 1.00 0.00 C ATOM 148 SG CYS A 159 -5.781 13.288 4.399 1.00 0.00 S ATOM 0 H CYS A 159 -4.852 9.855 2.047 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.180 10.458 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.261 11.994 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.859 12.042 2.349 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.722 13.982 4.692 1.00 0.00 H new ATOM 153 N ARG A 160 -7.665 9.737 5.054 1.00 0.00 N ATOM 154 CA ARG A 160 -9.083 9.331 5.116 1.00 0.00 C ATOM 155 C ARG A 160 -9.995 10.585 5.230 1.00 0.00 C ATOM 156 O ARG A 160 -11.067 10.612 4.632 1.00 0.00 O ATOM 157 CB ARG A 160 -9.309 8.413 6.330 1.00 0.00 C ATOM 158 CG ARG A 160 -8.226 7.355 6.616 1.00 0.00 C ATOM 159 CD ARG A 160 -7.858 6.452 5.426 1.00 0.00 C ATOM 160 NE ARG A 160 -8.998 5.681 4.903 1.00 0.00 N ATOM 161 CZ ARG A 160 -9.535 4.581 5.400 1.00 0.00 C ATOM 162 NH1 ARG A 160 -9.120 4.027 6.510 1.00 0.00 N ATOM 163 NH2 ARG A 160 -10.523 3.998 4.777 1.00 0.00 N ATOM 0 H ARG A 160 -7.131 9.524 5.897 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.336 8.791 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.412 9.041 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.259 7.897 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -7.325 7.865 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -8.565 6.725 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -7.447 7.068 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -7.072 5.762 5.733 1.00 0.00 H new ATOM 0 HE ARG A 160 -9.427 6.041 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -8.350 4.445 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -9.567 3.177 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -10.880 4.392 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -10.938 3.149 5.161 1.00 0.00 H new ATOM 177 N PRO A 161 -9.597 11.666 5.960 1.00 0.00 N ATOM 178 CA PRO A 161 -10.393 12.906 6.015 1.00 0.00 C ATOM 179 C PRO A 161 -10.664 13.419 4.584 1.00 0.00 C ATOM 180 O PRO A 161 -11.778 13.862 4.288 1.00 0.00 O ATOM 181 CB PRO A 161 -9.617 13.964 6.799 1.00 0.00 C ATOM 182 CG PRO A 161 -8.703 13.103 7.665 1.00 0.00 C ATOM 183 CD PRO A 161 -8.415 11.876 6.795 1.00 0.00 C ATOM 0 HA PRO A 161 -11.345 12.706 6.507 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.053 14.627 6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.275 14.593 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.786 13.632 7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.187 12.824 8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.530 12.037 6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.218 11.001 7.414 1.00 0.00 H new ATOM 191 N PHE A 162 -9.699 13.339 3.652 1.00 0.00 N ATOM 192 CA PHE A 162 -9.915 13.772 2.266 1.00 0.00 C ATOM 193 C PHE A 162 -10.890 12.805 1.564 1.00 0.00 C ATOM 194 O PHE A 162 -11.756 13.246 0.815 1.00 0.00 O ATOM 195 CB PHE A 162 -8.573 13.783 1.518 1.00 0.00 C ATOM 196 CG PHE A 162 -8.649 14.347 0.112 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.771 15.736 -0.082 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.596 13.490 -1.006 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.841 16.267 -1.383 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.662 14.021 -2.307 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.786 15.409 -2.497 1.00 0.00 C ATOM 0 H PHE A 162 -8.763 12.978 3.836 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.341 14.775 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.854 14.367 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.189 12.764 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.811 16.397 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.505 12.423 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.937 17.333 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.617 13.362 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.839 15.816 -3.496 1.00 0.00 H new ATOM 211 N GLU A 163 -10.807 11.490 1.789 1.00 0.00 N ATOM 212 CA GLU A 163 -11.747 10.532 1.173 1.00 0.00 C ATOM 213 C GLU A 163 -13.178 10.788 1.705 1.00 0.00 C ATOM 214 O GLU A 163 -14.155 10.540 0.994 1.00 0.00 O ATOM 215 CB GLU A 163 -11.326 9.100 1.524 1.00 0.00 C ATOM 216 CG GLU A 163 -10.074 8.606 0.802 1.00 0.00 C ATOM 217 CD GLU A 163 -9.866 7.133 1.158 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.273 6.870 2.229 1.00 0.00 O ATOM 219 OE2 GLU A 163 -10.344 6.268 0.386 1.00 0.00 O ATOM 0 H GLU A 163 -10.104 11.060 2.390 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.732 10.663 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.156 9.039 2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.151 8.427 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.185 8.724 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.206 9.195 1.099 1.00 0.00 H new ATOM 226 N GLU A 164 -13.352 11.215 2.967 1.00 0.00 N ATOM 227 CA GLU A 164 -14.689 11.312 3.583 1.00 0.00 C ATOM 228 C GLU A 164 -15.325 12.680 3.254 1.00 0.00 C ATOM 229 O GLU A 164 -16.530 12.751 2.998 1.00 0.00 O ATOM 230 CB GLU A 164 -14.560 11.163 5.112 1.00 0.00 C ATOM 231 CG GLU A 164 -14.222 9.740 5.585 1.00 0.00 C ATOM 232 CD GLU A 164 -15.393 8.774 5.366 1.00 0.00 C ATOM 233 OE1 GLU A 164 -16.315 8.763 6.218 1.00 0.00 O ATOM 234 OE2 GLU A 164 -15.376 8.048 4.344 1.00 0.00 O ATOM 0 H GLU A 164 -12.587 11.498 3.580 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.323 10.519 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.787 11.844 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.496 11.474 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -13.346 9.377 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.961 9.761 6.643 1.00 0.00 H new ATOM 241 N SER A 165 -14.579 13.796 3.311 1.00 0.00 N ATOM 242 CA SER A 165 -15.182 15.154 3.191 1.00 0.00 C ATOM 243 C SER A 165 -14.629 15.875 1.945 1.00 0.00 C ATOM 244 O SER A 165 -15.146 16.929 1.568 1.00 0.00 O ATOM 245 CB SER A 165 -14.848 15.974 4.445 1.00 0.00 C ATOM 246 OG SER A 165 -15.407 15.379 5.608 1.00 0.00 O ATOM 0 H SER A 165 -13.567 13.796 3.438 1.00 0.00 H new ATOM 0 HA SER A 165 -16.263 15.054 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.766 16.051 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.230 16.989 4.332 1.00 0.00 H new ATOM 0 HG SER A 165 -15.179 15.919 6.393 1.00 0.00 H new ATOM 252 N GLY A 166 -13.615 15.339 1.250 1.00 0.00 N ATOM 253 CA GLY A 166 -13.115 15.946 -0.004 1.00 0.00 C ATOM 254 C GLY A 166 -12.213 17.156 0.315 1.00 0.00 C ATOM 255 O GLY A 166 -11.853 17.910 -0.592 1.00 0.00 O ATOM 0 H GLY A 166 -13.123 14.490 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.555 15.207 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.954 16.262 -0.624 1.00 0.00 H new ATOM 259 N THR A 167 -11.838 17.397 1.584 1.00 0.00 N ATOM 260 CA THR A 167 -10.993 18.558 1.949 1.00 0.00 C ATOM 261 C THR A 167 -9.921 18.121 2.950 1.00 0.00 C ATOM 262 O THR A 167 -10.123 17.150 3.688 1.00 0.00 O ATOM 263 CB THR A 167 -11.875 19.654 2.585 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.109 20.823 2.785 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.516 19.280 3.929 1.00 0.00 C ATOM 0 H THR A 167 -12.103 16.809 2.374 1.00 0.00 H new ATOM 0 HA THR A 167 -10.511 18.950 1.054 1.00 0.00 H new ATOM 0 HB THR A 167 -12.690 19.801 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.671 21.518 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.115 20.116 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.154 18.406 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.735 19.052 4.654 1.00 0.00 H new ATOM 273 N CYS A 168 -8.767 18.807 3.036 1.00 0.00 N ATOM 274 CA CYS A 168 -7.739 18.483 4.027 1.00 0.00 C ATOM 275 C CYS A 168 -7.062 19.781 4.508 1.00 0.00 C ATOM 276 O CYS A 168 -6.578 20.569 3.686 1.00 0.00 O ATOM 277 CB CYS A 168 -6.691 17.562 3.393 1.00 0.00 C ATOM 278 SG CYS A 168 -5.523 17.056 4.689 1.00 0.00 S ATOM 0 H CYS A 168 -8.528 19.590 2.427 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.199 17.978 4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.170 16.689 2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.167 18.079 2.589 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.521 15.760 4.789 1.00 0.00 H new ATOM 283 N LYS A 169 -7.018 20.059 5.816 1.00 0.00 N ATOM 284 CA LYS A 169 -6.450 21.325 6.337 1.00 0.00 C ATOM 285 C LYS A 169 -4.928 21.354 6.115 1.00 0.00 C ATOM 286 O LYS A 169 -4.311 22.414 6.239 1.00 0.00 O ATOM 287 CB LYS A 169 -6.747 21.439 7.842 1.00 0.00 C ATOM 288 CG LYS A 169 -8.238 21.351 8.212 1.00 0.00 C ATOM 289 CD LYS A 169 -8.458 21.437 9.730 1.00 0.00 C ATOM 290 CE LYS A 169 -7.872 20.227 10.474 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.155 20.308 11.923 1.00 0.00 N ATOM 0 H LYS A 169 -7.367 19.430 6.539 1.00 0.00 H new ATOM 0 HA LYS A 169 -6.904 22.162 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.210 20.648 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.352 22.388 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.782 22.157 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.650 20.414 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.001 22.351 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.526 21.505 9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.293 19.307 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -6.795 20.183 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -7.749 19.479 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.732 21.175 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.184 20.327 12.075 1.00 0.00 H new ATOM 305 N TYR A 170 -4.275 20.230 5.806 1.00 0.00 N ATOM 306 CA TYR A 170 -2.815 20.206 5.611 1.00 0.00 C ATOM 307 C TYR A 170 -2.481 20.502 4.132 1.00 0.00 C ATOM 308 O TYR A 170 -1.384 20.983 3.832 1.00 0.00 O ATOM 309 CB TYR A 170 -2.274 18.829 5.997 1.00 0.00 C ATOM 310 CG TYR A 170 -2.227 18.642 7.501 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.401 18.341 8.221 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.017 18.849 8.190 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.372 18.275 9.628 1.00 0.00 C ATOM 314 CE2 TYR A 170 -0.988 18.790 9.594 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.165 18.506 10.319 1.00 0.00 C ATOM 316 OH TYR A 170 -2.131 18.459 11.679 1.00 0.00 O ATOM 0 H TYR A 170 -4.729 19.325 5.685 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.353 20.967 6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -2.901 18.055 5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.273 18.703 5.584 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.325 18.160 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.111 19.053 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.274 18.048 10.177 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.061 18.963 10.120 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.220 18.641 11.990 1.00 0.00 H new ATOM 326 N GLY A 171 -3.405 20.284 3.180 1.00 0.00 N ATOM 327 CA GLY A 171 -3.185 20.653 1.769 1.00 0.00 C ATOM 328 C GLY A 171 -1.953 19.915 1.216 1.00 0.00 C ATOM 329 O GLY A 171 -1.798 18.713 1.437 1.00 0.00 O ATOM 0 H GLY A 171 -4.312 19.854 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.065 20.401 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.042 21.730 1.685 1.00 0.00 H new ATOM 333 N GLU A 172 -1.067 20.581 0.464 1.00 0.00 N ATOM 334 CA GLU A 172 0.100 19.915 -0.164 1.00 0.00 C ATOM 335 C GLU A 172 1.134 19.524 0.917 1.00 0.00 C ATOM 336 O GLU A 172 2.107 18.825 0.614 1.00 0.00 O ATOM 337 CB GLU A 172 0.755 20.879 -1.171 1.00 0.00 C ATOM 338 CG GLU A 172 -0.163 21.302 -2.331 1.00 0.00 C ATOM 339 CD GLU A 172 -0.608 20.111 -3.193 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.174 19.703 -4.085 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.730 19.600 -2.959 1.00 0.00 O ATOM 0 H GLU A 172 -1.129 21.581 0.271 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.237 19.014 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.085 21.772 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.646 20.406 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -1.043 21.804 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.359 22.025 -2.958 1.00 0.00 H new ATOM 348 N LYS A 173 0.960 19.922 2.191 1.00 0.00 N ATOM 349 CA LYS A 173 1.908 19.553 3.268 1.00 0.00 C ATOM 350 C LYS A 173 1.380 18.318 4.027 1.00 0.00 C ATOM 351 O LYS A 173 2.020 17.863 4.980 1.00 0.00 O ATOM 352 CB LYS A 173 2.059 20.734 4.246 1.00 0.00 C ATOM 353 CG LYS A 173 2.672 21.977 3.573 1.00 0.00 C ATOM 354 CD LYS A 173 2.758 23.175 4.527 1.00 0.00 C ATOM 355 CE LYS A 173 1.371 23.757 4.817 1.00 0.00 C ATOM 356 NZ LYS A 173 1.456 24.904 5.742 1.00 0.00 N ATOM 0 H LYS A 173 0.177 20.496 2.502 1.00 0.00 H new ATOM 0 HA LYS A 173 2.878 19.317 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 173 1.082 20.990 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.687 20.431 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.670 21.734 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.072 22.250 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 173 3.227 22.866 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.394 23.945 4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 173 0.904 24.073 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 173 0.733 22.986 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 0.502 25.278 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 1.880 24.595 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 2.046 25.649 5.319 1.00 0.00 H new ATOM 370 N CYS A 174 0.242 17.725 3.633 1.00 0.00 N ATOM 371 CA CYS A 174 -0.280 16.524 4.290 1.00 0.00 C ATOM 372 C CYS A 174 0.705 15.354 4.089 1.00 0.00 C ATOM 373 O CYS A 174 1.112 15.074 2.955 1.00 0.00 O ATOM 374 CB CYS A 174 -1.637 16.164 3.684 1.00 0.00 C ATOM 375 SG CYS A 174 -2.425 14.917 4.735 1.00 0.00 S ATOM 0 H CYS A 174 -0.333 18.061 2.860 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.398 16.715 5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.267 17.051 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.510 15.780 2.672 1.00 0.00 H new ATOM 0 HG CYS A 174 -2.889 13.955 3.994 1.00 0.00 H new ATOM 380 N GLN A 175 1.127 14.655 5.149 1.00 0.00 N ATOM 381 CA GLN A 175 2.075 13.539 5.022 1.00 0.00 C ATOM 382 C GLN A 175 1.325 12.253 4.587 1.00 0.00 C ATOM 383 O GLN A 175 1.916 11.172 4.578 1.00 0.00 O ATOM 384 CB GLN A 175 2.766 13.298 6.377 1.00 0.00 C ATOM 385 CG GLN A 175 3.767 14.410 6.728 1.00 0.00 C ATOM 386 CD GLN A 175 4.839 13.906 7.695 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.847 13.331 7.302 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.684 14.097 8.985 1.00 0.00 N ATOM 0 H GLN A 175 0.827 14.842 6.106 1.00 0.00 H new ATOM 0 HA GLN A 175 2.822 13.788 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 175 2.011 13.231 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.285 12.340 6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 175 4.239 14.778 5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.237 15.251 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.852 14.574 9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.395 13.769 9.638 1.00 0.00 H new ATOM 397 N PHE A 176 0.035 12.319 4.216 1.00 0.00 N ATOM 398 CA PHE A 176 -0.736 11.119 3.823 1.00 0.00 C ATOM 399 C PHE A 176 -1.200 11.254 2.357 1.00 0.00 C ATOM 400 O PHE A 176 -1.188 12.358 1.802 1.00 0.00 O ATOM 401 CB PHE A 176 -1.959 10.974 4.744 1.00 0.00 C ATOM 402 CG PHE A 176 -1.578 10.721 6.198 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.329 11.799 7.071 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.414 9.403 6.665 1.00 0.00 C ATOM 405 CE1 PHE A 176 -0.915 11.560 8.395 1.00 0.00 C ATOM 406 CE2 PHE A 176 -0.992 9.163 7.987 1.00 0.00 C ATOM 407 CZ PHE A 176 -0.747 10.243 8.852 1.00 0.00 C ATOM 0 H PHE A 176 -0.498 13.188 4.179 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.105 10.235 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.563 11.880 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.581 10.152 4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.456 12.813 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.613 8.571 6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.726 12.390 9.060 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -0.857 8.150 8.336 1.00 0.00 H new ATOM 0 HZ PHE A 176 -0.430 10.060 9.868 1.00 0.00 H new ATOM 417 N ALA A 177 -1.539 10.161 1.667 1.00 0.00 N ATOM 418 CA ALA A 177 -1.809 10.198 0.221 1.00 0.00 C ATOM 419 C ALA A 177 -3.209 10.793 -0.037 1.00 0.00 C ATOM 420 O ALA A 177 -4.212 10.215 0.388 1.00 0.00 O ATOM 421 CB ALA A 177 -1.748 8.772 -0.341 1.00 0.00 C ATOM 0 H ALA A 177 -1.634 9.236 2.085 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.061 10.820 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -1.947 8.794 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.757 8.354 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.496 8.153 0.155 1.00 0.00 H new ATOM 427 N HIS A 178 -3.338 11.884 -0.804 1.00 0.00 N ATOM 428 CA HIS A 178 -4.657 12.381 -1.238 1.00 0.00 C ATOM 429 C HIS A 178 -5.088 11.644 -2.518 1.00 0.00 C ATOM 430 O HIS A 178 -6.285 11.442 -2.738 1.00 0.00 O ATOM 431 CB HIS A 178 -4.575 13.893 -1.517 1.00 0.00 C ATOM 432 CG HIS A 178 -4.412 14.753 -0.286 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.258 16.124 -0.260 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.473 14.328 1.012 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.240 16.509 1.029 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.385 15.446 1.835 1.00 0.00 N ATOM 0 H HIS A 178 -2.550 12.440 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.388 12.199 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.737 14.080 -2.188 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.479 14.201 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.572 13.304 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.125 17.528 1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.423 15.456 2.854 1.00 0.00 H new ATOM 444 N GLY A 179 -4.160 11.176 -3.362 1.00 0.00 N ATOM 445 CA GLY A 179 -4.507 10.374 -4.541 1.00 0.00 C ATOM 446 C GLY A 179 -4.145 8.914 -4.292 1.00 0.00 C ATOM 447 O GLY A 179 -3.072 8.627 -3.757 1.00 0.00 O ATOM 0 H GLY A 179 -3.160 11.340 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.572 10.464 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -3.975 10.747 -5.416 1.00 0.00 H new ATOM 724 N GLU A 195 3.673 -16.460 11.030 1.00 0.00 N ATOM 725 CA GLU A 195 3.250 -16.992 12.341 1.00 0.00 C ATOM 726 C GLU A 195 1.819 -16.514 12.661 1.00 0.00 C ATOM 727 O GLU A 195 1.396 -15.457 12.180 1.00 0.00 O ATOM 728 CB GLU A 195 4.213 -16.496 13.434 1.00 0.00 C ATOM 729 CG GLU A 195 5.621 -17.111 13.339 1.00 0.00 C ATOM 730 CD GLU A 195 5.640 -18.642 13.489 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.801 -19.184 14.248 1.00 0.00 O ATOM 732 OE2 GLU A 195 6.512 -19.281 12.850 1.00 0.00 O ATOM 0 HA GLU A 195 3.267 -18.081 12.308 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.294 -15.411 13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.790 -16.727 14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 195 6.060 -16.844 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 195 6.252 -16.672 14.111 1.00 0.00 H new ATOM 739 N LEU A 196 1.035 -17.257 13.458 1.00 0.00 N ATOM 740 CA LEU A 196 -0.350 -16.870 13.779 1.00 0.00 C ATOM 741 C LEU A 196 -0.354 -15.582 14.619 1.00 0.00 C ATOM 742 O LEU A 196 0.407 -15.469 15.589 1.00 0.00 O ATOM 743 CB LEU A 196 -1.024 -18.006 14.577 1.00 0.00 C ATOM 744 CG LEU A 196 -1.070 -19.376 13.874 1.00 0.00 C ATOM 745 CD1 LEU A 196 -1.804 -20.383 14.759 1.00 0.00 C ATOM 746 CD2 LEU A 196 -1.767 -19.326 12.512 1.00 0.00 C ATOM 0 H LEU A 196 1.336 -18.129 13.893 1.00 0.00 H new ATOM 0 HA LEU A 196 -0.898 -16.694 12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -0.498 -18.121 15.525 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.044 -17.704 14.813 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.036 -19.677 13.708 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -1.835 -21.351 14.260 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.280 -20.482 15.710 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -2.821 -20.035 14.940 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -1.767 -20.321 12.067 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -2.794 -18.986 12.641 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.236 -18.636 11.857 1.00 0.00 H new ATOM 758 N CYS A 197 -1.216 -14.606 14.323 1.00 0.00 N ATOM 759 CA CYS A 197 -1.344 -13.401 15.142 1.00 0.00 C ATOM 760 C CYS A 197 -1.956 -13.764 16.503 1.00 0.00 C ATOM 761 O CYS A 197 -3.092 -14.242 16.567 1.00 0.00 O ATOM 762 CB CYS A 197 -2.240 -12.387 14.423 1.00 0.00 C ATOM 763 SG CYS A 197 -2.458 -10.850 15.360 1.00 0.00 S ATOM 0 H CYS A 197 -1.839 -14.629 13.516 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.359 -12.963 15.299 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.809 -12.155 13.449 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.216 -12.837 14.241 1.00 0.00 H new ATOM 0 HG CYS A 197 -2.055 -9.844 14.643 1.00 0.00 H new ATOM 768 N ARG A 198 -1.236 -13.578 17.613 1.00 0.00 N ATOM 769 CA ARG A 198 -1.736 -13.950 18.955 1.00 0.00 C ATOM 770 C ARG A 198 -3.028 -13.197 19.256 1.00 0.00 C ATOM 771 O ARG A 198 -4.008 -13.809 19.663 1.00 0.00 O ATOM 772 CB ARG A 198 -0.674 -13.599 20.017 1.00 0.00 C ATOM 773 CG ARG A 198 0.519 -14.569 20.098 1.00 0.00 C ATOM 774 CD ARG A 198 0.153 -16.059 20.189 1.00 0.00 C ATOM 775 NE ARG A 198 -0.949 -16.328 21.136 1.00 0.00 N ATOM 776 CZ ARG A 198 -1.372 -17.514 21.538 1.00 0.00 C ATOM 777 NH1 ARG A 198 -0.751 -18.624 21.231 1.00 0.00 N ATOM 778 NH2 ARG A 198 -2.453 -17.615 22.262 1.00 0.00 N ATOM 0 H ARG A 198 -0.301 -13.171 17.616 1.00 0.00 H new ATOM 0 HA ARG A 198 -1.934 -15.022 18.978 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.294 -12.598 19.811 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.158 -13.562 20.993 1.00 0.00 H new ATOM 0 HG2 ARG A 198 1.147 -14.420 19.220 1.00 0.00 H new ATOM 0 HG3 ARG A 198 1.120 -14.306 20.968 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.130 -16.419 19.200 1.00 0.00 H new ATOM 0 HD3 ARG A 198 1.033 -16.625 20.494 1.00 0.00 H new ATOM 0 HE ARG A 198 -1.433 -15.515 21.519 1.00 0.00 H new ATOM 0 HH11 ARG A 198 0.094 -18.595 20.660 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -1.112 -19.519 21.562 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -2.975 -16.777 22.519 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -2.776 -18.532 22.570 1.00 0.00 H new ATOM 792 N THR A 199 -3.087 -11.873 19.088 1.00 0.00 N ATOM 793 CA THR A 199 -4.316 -11.096 19.377 1.00 0.00 C ATOM 794 C THR A 199 -5.501 -11.664 18.575 1.00 0.00 C ATOM 795 O THR A 199 -6.555 -11.935 19.155 1.00 0.00 O ATOM 796 CB THR A 199 -4.095 -9.616 18.996 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.789 -9.200 19.354 1.00 0.00 O ATOM 798 CG2 THR A 199 -5.050 -8.670 19.718 1.00 0.00 C ATOM 0 H THR A 199 -2.305 -11.309 18.755 1.00 0.00 H new ATOM 0 HA THR A 199 -4.540 -11.168 20.441 1.00 0.00 H new ATOM 0 HB THR A 199 -4.264 -9.566 17.920 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.665 -8.261 19.104 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.848 -7.644 19.411 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.078 -8.928 19.465 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.907 -8.761 20.795 1.00 0.00 H new ATOM 806 N PHE A 200 -5.379 -11.917 17.268 1.00 0.00 N ATOM 807 CA PHE A 200 -6.511 -12.427 16.469 1.00 0.00 C ATOM 808 C PHE A 200 -6.853 -13.877 16.898 1.00 0.00 C ATOM 809 O PHE A 200 -8.030 -14.230 16.976 1.00 0.00 O ATOM 810 CB PHE A 200 -6.144 -12.402 14.981 1.00 0.00 C ATOM 811 CG PHE A 200 -7.302 -12.732 14.058 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.178 -11.712 13.638 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.512 -14.055 13.619 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.253 -12.012 12.780 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.585 -14.353 12.761 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.456 -13.332 12.341 1.00 0.00 C ATOM 0 H PHE A 200 -4.518 -11.780 16.739 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.381 -11.792 16.638 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.760 -11.414 14.728 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.337 -13.112 14.804 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -8.025 -10.697 13.975 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -6.847 -14.842 13.943 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.922 -11.228 12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -8.741 -15.367 12.424 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.280 -13.562 11.682 1.00 0.00 H new ATOM 826 N HIS A 201 -5.879 -14.737 17.196 1.00 0.00 N ATOM 827 CA HIS A 201 -6.161 -16.150 17.554 1.00 0.00 C ATOM 828 C HIS A 201 -6.519 -16.260 19.069 1.00 0.00 C ATOM 829 O HIS A 201 -6.934 -17.328 19.525 1.00 0.00 O ATOM 830 CB HIS A 201 -4.925 -17.014 17.249 1.00 0.00 C ATOM 831 CG HIS A 201 -4.879 -17.358 15.775 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.304 -18.570 15.223 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.595 -16.493 14.756 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.260 -18.410 13.889 1.00 0.00 C ATOM 835 NE2 HIS A 201 -4.838 -17.172 13.582 1.00 0.00 N ATOM 0 H HIS A 201 -4.889 -14.493 17.200 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.007 -16.504 16.965 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.019 -16.479 17.534 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -4.955 -17.928 17.843 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.248 -15.475 14.852 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -5.526 -19.168 13.167 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -4.718 -16.798 12.640 1.00 0.00 H new ATOM 843 N THR A 202 -6.422 -15.181 19.864 1.00 0.00 N ATOM 844 CA THR A 202 -6.792 -15.223 21.310 1.00 0.00 C ATOM 845 C THR A 202 -8.053 -14.377 21.551 1.00 0.00 C ATOM 846 O THR A 202 -9.077 -14.912 21.981 1.00 0.00 O ATOM 847 CB THR A 202 -5.629 -14.674 22.165 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.434 -15.377 21.898 1.00 0.00 O ATOM 849 CG2 THR A 202 -5.887 -14.808 23.665 1.00 0.00 C ATOM 0 H THR A 202 -6.094 -14.270 19.543 1.00 0.00 H new ATOM 0 HA THR A 202 -6.992 -16.256 21.595 1.00 0.00 H new ATOM 0 HB THR A 202 -5.544 -13.621 21.898 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.016 -15.016 21.088 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.038 -14.407 24.218 1.00 0.00 H new ATOM 0 HG22 THR A 202 -6.787 -14.254 23.930 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.021 -15.860 23.919 1.00 0.00 H new ATOM 857 N ILE A 203 -8.041 -13.062 21.291 1.00 0.00 N ATOM 858 CA ILE A 203 -9.228 -12.204 21.527 1.00 0.00 C ATOM 859 C ILE A 203 -10.247 -12.398 20.381 1.00 0.00 C ATOM 860 O ILE A 203 -11.392 -11.955 20.493 1.00 0.00 O ATOM 861 CB ILE A 203 -8.791 -10.707 21.589 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.425 -10.493 22.289 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.876 -9.895 22.326 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.049 -9.039 22.612 1.00 0.00 C ATOM 0 H ILE A 203 -7.232 -12.565 20.919 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.691 -12.485 22.473 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.673 -10.366 20.560 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.424 -11.062 23.219 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.645 -10.916 21.655 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.577 -8.848 22.373 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.821 -9.979 21.789 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -9.997 -10.284 23.337 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.074 -9.015 23.099 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -7.008 -8.460 21.689 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.798 -8.609 23.277 1.00 0.00 H new ATOM 876 N GLY A 204 -9.881 -13.039 19.260 1.00 0.00 N ATOM 877 CA GLY A 204 -10.778 -13.152 18.095 1.00 0.00 C ATOM 878 C GLY A 204 -10.734 -11.846 17.281 1.00 0.00 C ATOM 879 O GLY A 204 -11.496 -11.691 16.323 1.00 0.00 O ATOM 0 H GLY A 204 -8.973 -13.486 19.134 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.475 -13.992 17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -11.797 -13.352 18.426 1.00 0.00 H new ATOM 883 N PHE A 205 -9.887 -10.867 17.639 1.00 0.00 N ATOM 884 CA PHE A 205 -9.843 -9.572 16.950 1.00 0.00 C ATOM 885 C PHE A 205 -8.406 -9.024 16.973 1.00 0.00 C ATOM 886 O PHE A 205 -7.593 -9.467 17.783 1.00 0.00 O ATOM 887 CB PHE A 205 -10.784 -8.583 17.668 1.00 0.00 C ATOM 888 CG PHE A 205 -10.675 -7.131 17.230 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.888 -6.787 15.882 1.00 0.00 C ATOM 890 CD2 PHE A 205 -10.291 -6.135 18.148 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.725 -5.457 15.454 1.00 0.00 C ATOM 892 CE2 PHE A 205 -10.127 -4.804 17.722 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.347 -4.466 16.375 1.00 0.00 C ATOM 0 H PHE A 205 -9.221 -10.952 18.407 1.00 0.00 H new ATOM 0 HA PHE A 205 -10.163 -9.697 15.916 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.812 -8.913 17.516 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.588 -8.636 18.739 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.178 -7.548 15.173 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -10.122 -6.393 19.183 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.890 -5.198 14.419 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.832 -4.043 18.429 1.00 0.00 H new ATOM 0 HZ PHE A 205 -10.225 -3.444 16.048 1.00 0.00 H new ATOM 903 N CYS A 206 -8.054 -8.040 16.133 1.00 0.00 N ATOM 904 CA CYS A 206 -6.723 -7.432 16.159 1.00 0.00 C ATOM 905 C CYS A 206 -6.833 -5.935 15.783 1.00 0.00 C ATOM 906 O CYS A 206 -7.338 -5.605 14.702 1.00 0.00 O ATOM 907 CB CYS A 206 -5.818 -8.151 15.158 1.00 0.00 C ATOM 908 SG CYS A 206 -4.136 -7.487 15.242 1.00 0.00 S ATOM 0 H CYS A 206 -8.677 -7.650 15.426 1.00 0.00 H new ATOM 0 HA CYS A 206 -6.298 -7.521 17.159 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.805 -9.220 15.371 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -6.213 -8.032 14.149 1.00 0.00 H new ATOM 0 HG CYS A 206 -3.292 -8.462 15.404 1.00 0.00 H new ATOM 913 N PRO A 207 -6.392 -4.989 16.645 1.00 0.00 N ATOM 914 CA PRO A 207 -6.519 -3.550 16.373 1.00 0.00 C ATOM 915 C PRO A 207 -5.696 -3.163 15.126 1.00 0.00 C ATOM 916 O PRO A 207 -5.875 -2.065 14.590 1.00 0.00 O ATOM 917 CB PRO A 207 -6.004 -2.770 17.585 1.00 0.00 C ATOM 918 CG PRO A 207 -6.042 -3.827 18.692 1.00 0.00 C ATOM 919 CD PRO A 207 -5.824 -5.163 17.973 1.00 0.00 C ATOM 0 HA PRO A 207 -7.566 -3.311 16.188 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.997 -2.386 17.424 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -6.638 -1.914 17.818 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -5.265 -3.648 19.436 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -6.996 -3.813 19.218 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.764 -5.410 17.917 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -6.313 -5.979 18.505 1.00 0.00 H new ATOM 927 N TYR A 208 -4.805 -4.026 14.610 1.00 0.00 N ATOM 928 CA TYR A 208 -4.020 -3.706 13.401 1.00 0.00 C ATOM 929 C TYR A 208 -4.814 -4.115 12.142 1.00 0.00 C ATOM 930 O TYR A 208 -4.557 -3.588 11.056 1.00 0.00 O ATOM 931 CB TYR A 208 -2.681 -4.458 13.441 1.00 0.00 C ATOM 932 CG TYR A 208 -1.762 -3.987 14.559 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.975 -4.419 15.884 1.00 0.00 C ATOM 934 CD2 TYR A 208 -0.723 -3.074 14.286 1.00 0.00 C ATOM 935 CE1 TYR A 208 -1.187 -3.914 16.935 1.00 0.00 C ATOM 936 CE2 TYR A 208 0.069 -2.568 15.338 1.00 0.00 C ATOM 937 CZ TYR A 208 -0.167 -2.980 16.667 1.00 0.00 C ATOM 938 OH TYR A 208 0.583 -2.482 17.688 1.00 0.00 O ATOM 0 H TYR A 208 -4.609 -4.945 15.006 1.00 0.00 H new ATOM 0 HA TYR A 208 -3.827 -2.634 13.369 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.874 -5.524 13.563 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -2.173 -4.333 12.485 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.749 -5.143 16.094 1.00 0.00 H new ATOM 0 HD2 TYR A 208 -0.533 -2.761 13.270 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -1.364 -4.243 17.948 1.00 0.00 H new ATOM 0 HE2 TYR A 208 0.859 -1.863 15.126 1.00 0.00 H new ATOM 0 HH TYR A 208 1.243 -1.851 17.332 1.00 0.00 H new ATOM 948 N GLY A 209 -5.851 -4.961 12.251 1.00 0.00 N ATOM 949 CA GLY A 209 -6.756 -5.248 11.119 1.00 0.00 C ATOM 950 C GLY A 209 -5.948 -5.789 9.917 1.00 0.00 C ATOM 951 O GLY A 209 -4.978 -6.529 10.106 1.00 0.00 O ATOM 0 H GLY A 209 -6.086 -5.459 13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -7.507 -5.978 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -7.289 -4.342 10.831 1.00 0.00 H new ATOM 955 N PRO A 210 -6.334 -5.483 8.659 1.00 0.00 N ATOM 956 CA PRO A 210 -5.653 -6.015 7.473 1.00 0.00 C ATOM 957 C PRO A 210 -4.183 -5.518 7.431 1.00 0.00 C ATOM 958 O PRO A 210 -3.359 -6.101 6.722 1.00 0.00 O ATOM 959 CB PRO A 210 -6.392 -5.532 6.222 1.00 0.00 C ATOM 960 CG PRO A 210 -7.757 -5.127 6.795 1.00 0.00 C ATOM 961 CD PRO A 210 -7.471 -4.683 8.234 1.00 0.00 C ATOM 0 HA PRO A 210 -5.653 -7.104 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -5.884 -4.693 5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.481 -6.318 5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -8.204 -4.320 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -8.457 -5.962 6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -7.243 -3.618 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -8.334 -4.852 8.878 1.00 0.00 H new ATOM 969 N ARG A 211 -3.811 -4.450 8.164 1.00 0.00 N ATOM 970 CA ARG A 211 -2.421 -3.929 8.156 1.00 0.00 C ATOM 971 C ARG A 211 -1.541 -4.756 9.123 1.00 0.00 C ATOM 972 O ARG A 211 -0.354 -4.461 9.280 1.00 0.00 O ATOM 973 CB ARG A 211 -2.423 -2.451 8.601 1.00 0.00 C ATOM 974 CG ARG A 211 -3.265 -1.500 7.731 1.00 0.00 C ATOM 975 CD ARG A 211 -2.677 -1.308 6.327 1.00 0.00 C ATOM 976 NE ARG A 211 -3.402 -0.265 5.579 1.00 0.00 N ATOM 977 CZ ARG A 211 -4.418 -0.419 4.745 1.00 0.00 C ATOM 978 NH1 ARG A 211 -4.941 -1.588 4.475 1.00 0.00 N ATOM 979 NH2 ARG A 211 -4.943 0.618 4.153 1.00 0.00 N ATOM 0 H ARG A 211 -4.447 -3.930 8.768 1.00 0.00 H new ATOM 0 HA ARG A 211 -2.016 -4.008 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -2.790 -2.398 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -1.394 -2.091 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -4.278 -1.893 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -3.339 -0.531 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -1.624 -1.036 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -2.723 -2.249 5.779 1.00 0.00 H new ATOM 0 HE ARG A 211 -3.081 0.693 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -4.566 -2.428 4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -5.724 -1.659 3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -4.571 1.550 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -5.726 0.496 3.511 1.00 0.00 H new ATOM 993 N CYS A 212 -2.071 -5.797 9.788 1.00 0.00 N ATOM 994 CA CYS A 212 -1.282 -6.611 10.718 1.00 0.00 C ATOM 995 C CYS A 212 -0.209 -7.406 9.938 1.00 0.00 C ATOM 996 O CYS A 212 -0.463 -7.857 8.814 1.00 0.00 O ATOM 997 CB CYS A 212 -2.205 -7.582 11.455 1.00 0.00 C ATOM 998 SG CYS A 212 -1.306 -8.291 12.867 1.00 0.00 S ATOM 0 H CYS A 212 -3.043 -6.092 9.696 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.790 -5.959 11.439 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -3.100 -7.064 11.800 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.534 -8.373 10.782 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.961 -8.050 13.964 1.00 0.00 H new ATOM 1003 N HIS A 213 0.990 -7.611 10.490 1.00 0.00 N ATOM 1004 CA HIS A 213 2.063 -8.340 9.795 1.00 0.00 C ATOM 1005 C HIS A 213 2.009 -9.840 10.166 1.00 0.00 C ATOM 1006 O HIS A 213 2.919 -10.589 9.813 1.00 0.00 O ATOM 1007 CB HIS A 213 3.426 -7.759 10.212 1.00 0.00 C ATOM 1008 CG HIS A 213 3.725 -6.404 9.608 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.690 -6.152 8.627 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.113 -5.229 9.932 1.00 0.00 C ATOM 1011 CE1 HIS A 213 4.640 -4.830 8.388 1.00 0.00 C ATOM 1012 NE2 HIS A 213 3.703 -4.252 9.159 1.00 0.00 N ATOM 0 H HIS A 213 1.246 -7.282 11.421 1.00 0.00 H new ATOM 0 HA HIS A 213 1.930 -8.233 8.718 1.00 0.00 H new ATOM 0 HB2 HIS A 213 3.458 -7.677 11.298 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.212 -8.457 9.922 1.00 0.00 H new ATOM 0 HD2 HIS A 213 2.321 -5.091 10.653 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.264 -4.307 7.678 1.00 0.00 H new ATOM 0 HE2 HIS A 213 3.468 -3.259 9.170 1.00 0.00 H new ATOM 1020 N PHE A 214 0.978 -10.322 10.886 1.00 0.00 N ATOM 1021 CA PHE A 214 0.922 -11.734 11.330 1.00 0.00 C ATOM 1022 C PHE A 214 -0.352 -12.413 10.763 1.00 0.00 C ATOM 1023 O PHE A 214 -1.270 -11.725 10.307 1.00 0.00 O ATOM 1024 CB PHE A 214 0.902 -11.787 12.861 1.00 0.00 C ATOM 1025 CG PHE A 214 2.232 -11.370 13.461 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.551 -10.005 13.615 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.180 -12.350 13.810 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.819 -9.625 14.091 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.442 -11.970 14.301 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.763 -10.608 14.433 1.00 0.00 C ATOM 0 H PHE A 214 0.176 -9.761 11.173 1.00 0.00 H new ATOM 0 HA PHE A 214 1.800 -12.264 10.962 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.114 -11.134 13.236 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.659 -12.799 13.186 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.820 -9.250 13.367 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.938 -13.397 13.700 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.067 -8.579 14.193 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.164 -12.724 14.576 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.737 -10.317 14.798 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.421 -13.756 10.701 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.532 -14.456 10.013 1.00 0.00 C ATOM 1042 C ILE A 215 -2.826 -14.316 10.833 1.00 0.00 C ATOM 1043 O ILE A 215 -2.910 -14.836 11.949 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.183 -15.961 9.852 1.00 0.00 C ATOM 1045 CG1 ILE A 215 0.117 -16.201 9.053 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.353 -16.688 9.148 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.625 -17.648 9.123 1.00 0.00 C ATOM 0 H ILE A 215 0.273 -14.378 11.115 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.678 -14.009 9.030 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.022 -16.357 10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.054 -15.935 8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.893 -15.534 9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.109 -17.744 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.258 -16.587 9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.518 -16.246 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.541 -17.741 8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.828 -17.912 10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.133 -18.320 8.719 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.877 -13.694 10.302 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.199 -13.702 10.950 1.00 0.00 C ATOM 1061 C HIS A 216 -5.971 -14.972 10.525 1.00 0.00 C ATOM 1062 O HIS A 216 -5.801 -16.027 11.139 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.987 -12.445 10.528 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.512 -11.178 11.199 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -6.087 -9.934 11.063 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.495 -11.064 12.108 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.430 -9.094 11.884 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.470 -9.746 12.554 1.00 0.00 N ATOM 0 H HIS A 216 -3.845 -13.176 9.424 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.076 -13.701 12.033 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.910 -12.324 9.447 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.042 -12.594 10.758 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.831 -11.855 12.423 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.646 -8.041 11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.842 -9.352 13.255 1.00 0.00 H new