USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 349 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 197 CYS SG : rot 121:sc= 0.724 USER MOD Set 1.2: A 206 CYS SG : rot 128:sc= 0.673 USER MOD Set 1.3: A 212 CYS SG : rot 128:sc= 0.576 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.798 X(o=1.2,f=1.4) USER MOD Set 2.1: A 159 CYS SG : rot 119:sc= 0.402 USER MOD Set 2.2: A 168 CYS SG : rot 124:sc= 0.578 USER MOD Set 2.3: A 174 CYS SG : rot 121:sc= 0.807 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.4 K(o=1.4,f=0.44) USER MOD Single : A 155 LYS NZ :NH3+ 174:sc= 0.288 (180deg=0.277) 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+ -173:sc= 0 (180deg=-0.0268) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00794) USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.00742 USER MOD Single : A 201 HIS : no HD1:sc= 0.252 K(o=0.25,f=-0.92) USER MOD Single : A 202 THR OG1 : rot 84:sc= 1.06 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.765 8.676 3.401 1.00 0.00 N ATOM 74 CA LYS A 155 1.843 8.483 2.246 1.00 0.00 C ATOM 75 C LYS A 155 1.765 6.983 1.867 1.00 0.00 C ATOM 76 O LYS A 155 1.539 6.655 0.703 1.00 0.00 O ATOM 77 CB LYS A 155 2.346 9.309 1.033 1.00 0.00 C ATOM 78 CG LYS A 155 2.088 10.790 1.338 1.00 0.00 C ATOM 79 CD LYS A 155 2.366 11.670 0.119 1.00 0.00 C ATOM 80 CE LYS A 155 2.034 13.123 0.445 1.00 0.00 C ATOM 81 NZ LYS A 155 0.579 13.389 0.422 1.00 0.00 N ATOM 0 HA LYS A 155 0.847 8.825 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.408 9.133 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.825 9.009 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.054 10.922 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.719 11.107 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.413 11.583 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.770 11.332 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.430 13.371 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.531 13.776 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.398 14.360 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 0.221 13.277 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.093 12.717 1.050 1.00 0.00 H new ATOM 95 N THR A 156 1.878 6.048 2.813 1.00 0.00 N ATOM 96 CA THR A 156 1.687 4.606 2.515 1.00 0.00 C ATOM 97 C THR A 156 0.234 4.205 2.811 1.00 0.00 C ATOM 98 O THR A 156 -0.158 3.069 2.542 1.00 0.00 O ATOM 99 CB THR A 156 2.639 3.768 3.384 1.00 0.00 C ATOM 100 OG1 THR A 156 2.484 3.974 4.770 1.00 0.00 O ATOM 101 CG2 THR A 156 4.089 4.075 2.993 1.00 0.00 C ATOM 0 H THR A 156 2.099 6.250 3.788 1.00 0.00 H new ATOM 0 HA THR A 156 1.904 4.425 1.462 1.00 0.00 H new ATOM 0 HB THR A 156 2.385 2.725 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.119 3.409 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 156 4.765 3.482 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.243 3.828 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.292 5.135 3.150 1.00 0.00 H new ATOM 109 N GLU A 157 -0.600 5.095 3.383 1.00 0.00 N ATOM 110 CA GLU A 157 -1.992 4.757 3.750 1.00 0.00 C ATOM 111 C GLU A 157 -2.946 5.838 3.214 1.00 0.00 C ATOM 112 O GLU A 157 -2.552 7.003 3.078 1.00 0.00 O ATOM 113 CB GLU A 157 -2.110 4.679 5.282 1.00 0.00 C ATOM 114 CG GLU A 157 -3.452 4.119 5.761 1.00 0.00 C ATOM 115 CD GLU A 157 -3.433 3.858 7.270 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.916 2.793 7.678 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.930 4.724 8.025 1.00 0.00 O ATOM 0 H GLU A 157 -0.335 6.055 3.602 1.00 0.00 H new ATOM 0 HA GLU A 157 -2.259 3.794 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.305 4.055 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.970 5.676 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -4.250 4.822 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.673 3.192 5.231 1.00 0.00 H new ATOM 124 N LEU A 158 -4.200 5.503 2.864 1.00 0.00 N ATOM 125 CA LEU A 158 -5.144 6.477 2.283 1.00 0.00 C ATOM 126 C LEU A 158 -5.464 7.580 3.305 1.00 0.00 C ATOM 127 O LEU A 158 -5.756 7.280 4.467 1.00 0.00 O ATOM 128 CB LEU A 158 -6.447 5.760 1.897 1.00 0.00 C ATOM 129 CG LEU A 158 -6.521 5.107 0.514 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.907 4.459 0.443 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.383 6.123 -0.624 1.00 0.00 C ATOM 0 H LEU A 158 -4.585 4.565 2.973 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.688 6.925 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.638 4.988 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.261 6.482 1.970 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.704 4.396 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -8.031 3.970 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -8.004 3.720 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.673 5.225 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.442 5.607 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -7.187 6.856 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.421 6.630 -0.544 1.00 0.00 H new ATOM 143 N CYS A 159 -5.563 8.848 2.890 1.00 0.00 N ATOM 144 CA CYS A 159 -6.072 9.911 3.749 1.00 0.00 C ATOM 145 C CYS A 159 -7.601 9.793 3.845 1.00 0.00 C ATOM 146 O CYS A 159 -8.311 10.151 2.898 1.00 0.00 O ATOM 147 CB CYS A 159 -5.695 11.269 3.152 1.00 0.00 C ATOM 148 SG CYS A 159 -6.132 12.667 4.222 1.00 0.00 S ATOM 0 H CYS A 159 -5.294 9.159 1.957 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.638 9.822 4.745 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.622 11.289 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.194 11.387 2.190 1.00 0.00 H new ATOM 0 HG CYS A 159 -5.054 13.315 4.551 1.00 0.00 H new ATOM 153 N ARG A 160 -8.156 9.199 4.914 1.00 0.00 N ATOM 154 CA ARG A 160 -9.594 8.875 4.966 1.00 0.00 C ATOM 155 C ARG A 160 -10.438 10.179 4.993 1.00 0.00 C ATOM 156 O ARG A 160 -11.469 10.247 4.331 1.00 0.00 O ATOM 157 CB ARG A 160 -9.892 8.039 6.218 1.00 0.00 C ATOM 158 CG ARG A 160 -9.128 6.702 6.276 1.00 0.00 C ATOM 159 CD ARG A 160 -9.260 5.831 5.016 1.00 0.00 C ATOM 160 NE ARG A 160 -10.669 5.597 4.645 1.00 0.00 N ATOM 161 CZ ARG A 160 -11.115 4.849 3.651 1.00 0.00 C ATOM 162 NH1 ARG A 160 -10.319 4.155 2.882 1.00 0.00 N ATOM 163 NH2 ARG A 160 -12.395 4.779 3.401 1.00 0.00 N ATOM 0 H ARG A 160 -7.636 8.934 5.750 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.859 8.302 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.643 8.626 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.962 7.836 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -8.072 6.910 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -9.485 6.132 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.743 6.314 4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -8.767 4.874 5.185 1.00 0.00 H new ATOM 0 HE ARG A 160 -11.374 6.062 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.311 4.178 3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -10.705 3.590 2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -13.056 5.303 3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -12.734 4.200 2.632 1.00 0.00 H new ATOM 177 N PRO A 161 -10.022 11.258 5.713 1.00 0.00 N ATOM 178 CA PRO A 161 -10.752 12.538 5.691 1.00 0.00 C ATOM 179 C PRO A 161 -10.901 13.032 4.232 1.00 0.00 C ATOM 180 O PRO A 161 -11.973 13.510 3.849 1.00 0.00 O ATOM 181 CB PRO A 161 -9.973 13.572 6.504 1.00 0.00 C ATOM 182 CG PRO A 161 -9.168 12.676 7.444 1.00 0.00 C ATOM 183 CD PRO A 161 -8.877 11.431 6.601 1.00 0.00 C ATOM 0 HA PRO A 161 -11.743 12.399 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.331 14.189 5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.633 14.249 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.249 13.162 7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.734 12.428 8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.957 11.555 6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.742 10.555 7.236 1.00 0.00 H new ATOM 191 N PHE A 162 -9.880 12.886 3.371 1.00 0.00 N ATOM 192 CA PHE A 162 -9.983 13.295 1.964 1.00 0.00 C ATOM 193 C PHE A 162 -10.893 12.311 1.200 1.00 0.00 C ATOM 194 O PHE A 162 -11.686 12.736 0.365 1.00 0.00 O ATOM 195 CB PHE A 162 -8.584 13.301 1.329 1.00 0.00 C ATOM 196 CG PHE A 162 -8.558 13.944 -0.045 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.402 15.339 -0.166 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.714 13.160 -1.205 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.400 15.945 -1.436 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.715 13.767 -2.474 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.558 15.159 -2.591 1.00 0.00 C ATOM 0 H PHE A 162 -8.976 12.488 3.626 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.412 14.296 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.895 13.833 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.222 12.276 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.283 15.946 0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.833 12.090 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.277 17.014 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.837 13.162 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.559 15.624 -3.566 1.00 0.00 H new ATOM 211 N GLU A 163 -10.820 11.001 1.447 1.00 0.00 N ATOM 212 CA GLU A 163 -11.672 10.026 0.736 1.00 0.00 C ATOM 213 C GLU A 163 -13.159 10.247 1.130 1.00 0.00 C ATOM 214 O GLU A 163 -14.058 9.976 0.332 1.00 0.00 O ATOM 215 CB GLU A 163 -11.249 8.598 1.120 1.00 0.00 C ATOM 216 CG GLU A 163 -9.902 8.176 0.514 1.00 0.00 C ATOM 217 CD GLU A 163 -10.007 7.915 -0.995 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.344 6.767 -1.373 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.762 8.865 -1.777 1.00 0.00 O ATOM 0 H GLU A 163 -10.185 10.586 2.129 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.557 10.164 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.189 8.525 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.020 7.899 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -9.162 8.955 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.546 7.275 1.014 1.00 0.00 H new ATOM 226 N GLU A 164 -13.457 10.694 2.361 1.00 0.00 N ATOM 227 CA GLU A 164 -14.847 10.813 2.844 1.00 0.00 C ATOM 228 C GLU A 164 -15.436 12.176 2.431 1.00 0.00 C ATOM 229 O GLU A 164 -16.607 12.248 2.045 1.00 0.00 O ATOM 230 CB GLU A 164 -14.863 10.696 4.383 1.00 0.00 C ATOM 231 CG GLU A 164 -14.604 9.272 4.907 1.00 0.00 C ATOM 232 CD GLU A 164 -15.729 8.297 4.537 1.00 0.00 C ATOM 233 OE1 GLU A 164 -16.818 8.388 5.155 1.00 0.00 O ATOM 234 OE2 GLU A 164 -15.507 7.455 3.634 1.00 0.00 O ATOM 0 H GLU A 164 -12.754 10.980 3.043 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.448 10.017 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -14.109 11.366 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.830 11.038 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -13.661 8.905 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -14.495 9.301 5.991 1.00 0.00 H new ATOM 241 N SER A 165 -14.698 13.292 2.564 1.00 0.00 N ATOM 242 CA SER A 165 -15.288 14.651 2.389 1.00 0.00 C ATOM 243 C SER A 165 -14.603 15.384 1.216 1.00 0.00 C ATOM 244 O SER A 165 -15.057 16.459 0.817 1.00 0.00 O ATOM 245 CB SER A 165 -15.097 15.461 3.680 1.00 0.00 C ATOM 246 OG SER A 165 -15.781 14.849 4.766 1.00 0.00 O ATOM 0 H SER A 165 -13.703 13.292 2.789 1.00 0.00 H new ATOM 0 HA SER A 165 -16.351 14.550 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 165 -14.035 15.540 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.468 16.476 3.536 1.00 0.00 H new ATOM 0 HG SER A 165 -15.645 15.379 5.579 1.00 0.00 H new ATOM 252 N GLY A 166 -13.541 14.837 0.607 1.00 0.00 N ATOM 253 CA GLY A 166 -12.917 15.452 -0.588 1.00 0.00 C ATOM 254 C GLY A 166 -12.041 16.652 -0.171 1.00 0.00 C ATOM 255 O GLY A 166 -11.582 17.406 -1.033 1.00 0.00 O ATOM 0 H GLY A 166 -13.093 13.974 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.310 14.713 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.690 15.780 -1.283 1.00 0.00 H new ATOM 259 N THR A 167 -11.806 16.892 1.133 1.00 0.00 N ATOM 260 CA THR A 167 -11.006 18.050 1.589 1.00 0.00 C ATOM 261 C THR A 167 -10.040 17.605 2.690 1.00 0.00 C ATOM 262 O THR A 167 -10.333 16.649 3.418 1.00 0.00 O ATOM 263 CB THR A 167 -11.947 19.141 2.140 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.205 20.303 2.439 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.735 18.752 3.399 1.00 0.00 C ATOM 0 H THR A 167 -12.156 16.303 1.889 1.00 0.00 H new ATOM 0 HA THR A 167 -10.438 18.450 0.749 1.00 0.00 H new ATOM 0 HB THR A 167 -12.678 19.302 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.806 20.994 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.366 19.586 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.359 17.885 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.040 18.508 4.203 1.00 0.00 H new ATOM 273 N CYS A 168 -8.883 18.264 2.873 1.00 0.00 N ATOM 274 CA CYS A 168 -7.955 17.924 3.953 1.00 0.00 C ATOM 275 C CYS A 168 -7.292 19.208 4.487 1.00 0.00 C ATOM 276 O CYS A 168 -6.699 19.968 3.712 1.00 0.00 O ATOM 277 CB CYS A 168 -6.880 16.972 3.422 1.00 0.00 C ATOM 278 SG CYS A 168 -5.896 16.404 4.834 1.00 0.00 S ATOM 0 H CYS A 168 -8.572 19.036 2.283 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.501 17.438 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.338 16.125 2.911 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.246 17.479 2.694 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.910 15.105 4.878 1.00 0.00 H new ATOM 283 N LYS A 169 -7.374 19.502 5.790 1.00 0.00 N ATOM 284 CA LYS A 169 -6.823 20.759 6.355 1.00 0.00 C ATOM 285 C LYS A 169 -5.285 20.741 6.281 1.00 0.00 C ATOM 286 O LYS A 169 -4.655 21.795 6.384 1.00 0.00 O ATOM 287 CB LYS A 169 -7.260 20.893 7.824 1.00 0.00 C ATOM 288 CG LYS A 169 -8.778 20.819 8.074 1.00 0.00 C ATOM 289 CD LYS A 169 -9.089 20.623 9.568 1.00 0.00 C ATOM 290 CE LYS A 169 -8.712 19.228 10.105 1.00 0.00 C ATOM 291 NZ LYS A 169 -9.572 18.168 9.535 1.00 0.00 N ATOM 0 H LYS A 169 -7.814 18.893 6.480 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.199 21.604 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.775 20.106 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.892 21.844 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.252 21.734 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.204 19.996 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.555 21.380 10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.153 20.790 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.669 19.017 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.799 19.221 11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.368 17.264 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.571 18.416 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.382 18.077 8.516 1.00 0.00 H new ATOM 305 N TYR A 170 -4.638 19.585 6.117 1.00 0.00 N ATOM 306 CA TYR A 170 -3.168 19.514 6.063 1.00 0.00 C ATOM 307 C TYR A 170 -2.680 19.836 4.630 1.00 0.00 C ATOM 308 O TYR A 170 -1.528 20.243 4.450 1.00 0.00 O ATOM 309 CB TYR A 170 -2.711 18.105 6.460 1.00 0.00 C ATOM 310 CG TYR A 170 -2.910 17.821 7.940 1.00 0.00 C ATOM 311 CD1 TYR A 170 -4.189 17.506 8.444 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.822 17.930 8.826 1.00 0.00 C ATOM 313 CE1 TYR A 170 -4.389 17.351 9.828 1.00 0.00 C ATOM 314 CE2 TYR A 170 -2.020 17.775 10.211 1.00 0.00 C ATOM 315 CZ TYR A 170 -3.305 17.495 10.719 1.00 0.00 C ATOM 316 OH TYR A 170 -3.505 17.362 12.060 1.00 0.00 O ATOM 0 H TYR A 170 -5.105 18.683 6.019 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.745 20.242 6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.264 17.370 5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.657 17.985 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -5.019 17.383 7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.833 18.133 8.442 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.373 17.122 10.209 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -1.184 17.871 10.888 1.00 0.00 H new ATOM 0 HH TYR A 170 -2.656 17.490 12.532 1.00 0.00 H new ATOM 326 N GLY A 171 -3.538 19.760 3.598 1.00 0.00 N ATOM 327 CA GLY A 171 -3.182 20.223 2.241 1.00 0.00 C ATOM 328 C GLY A 171 -1.946 19.462 1.729 1.00 0.00 C ATOM 329 O GLY A 171 -1.853 18.245 1.900 1.00 0.00 O ATOM 0 H GLY A 171 -4.483 19.383 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.021 20.067 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.979 21.294 2.255 1.00 0.00 H new ATOM 333 N GLU A 172 -0.989 20.122 1.061 1.00 0.00 N ATOM 334 CA GLU A 172 0.178 19.432 0.465 1.00 0.00 C ATOM 335 C GLU A 172 1.129 18.940 1.582 1.00 0.00 C ATOM 336 O GLU A 172 2.057 18.172 1.306 1.00 0.00 O ATOM 337 CB GLU A 172 0.932 20.410 -0.460 1.00 0.00 C ATOM 338 CG GLU A 172 0.101 20.937 -1.643 1.00 0.00 C ATOM 339 CD GLU A 172 -0.343 19.815 -2.592 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.469 19.424 -3.464 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.496 19.340 -2.447 1.00 0.00 O ATOM 0 H GLU A 172 -0.995 21.132 0.917 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.168 18.574 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.277 21.258 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.820 19.911 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.778 21.457 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.688 21.668 -2.199 1.00 0.00 H new ATOM 348 N LYS A 173 0.919 19.316 2.859 1.00 0.00 N ATOM 349 CA LYS A 173 1.760 18.823 3.976 1.00 0.00 C ATOM 350 C LYS A 173 1.094 17.597 4.630 1.00 0.00 C ATOM 351 O LYS A 173 1.642 17.037 5.584 1.00 0.00 O ATOM 352 CB LYS A 173 1.930 19.937 5.024 1.00 0.00 C ATOM 353 CG LYS A 173 2.669 21.176 4.496 1.00 0.00 C ATOM 354 CD LYS A 173 2.884 22.167 5.649 1.00 0.00 C ATOM 355 CE LYS A 173 3.590 23.455 5.217 1.00 0.00 C ATOM 356 NZ LYS A 173 4.975 23.203 4.766 1.00 0.00 N ATOM 0 H LYS A 173 0.179 19.956 3.145 1.00 0.00 H new ATOM 0 HA LYS A 173 2.738 18.536 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.946 20.238 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.474 19.538 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.628 20.886 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.092 21.646 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 173 1.918 22.420 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 173 3.471 21.683 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.026 23.925 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 173 3.602 24.158 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 5.433 24.106 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 5.507 22.732 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 4.960 22.593 3.924 1.00 0.00 H new ATOM 370 N CYS A 174 -0.054 17.109 4.133 1.00 0.00 N ATOM 371 CA CYS A 174 -0.674 15.891 4.657 1.00 0.00 C ATOM 372 C CYS A 174 0.278 14.696 4.455 1.00 0.00 C ATOM 373 O CYS A 174 0.755 14.465 3.337 1.00 0.00 O ATOM 374 CB CYS A 174 -1.987 15.630 3.919 1.00 0.00 C ATOM 375 SG CYS A 174 -2.844 14.307 4.818 1.00 0.00 S ATOM 0 H CYS A 174 -0.569 17.544 3.367 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.874 16.016 5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.597 16.532 3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.798 15.335 2.887 1.00 0.00 H new ATOM 0 HG CYS A 174 -4.004 14.736 5.220 1.00 0.00 H new ATOM 380 N GLN A 175 0.594 13.920 5.493 1.00 0.00 N ATOM 381 CA GLN A 175 1.502 12.777 5.367 1.00 0.00 C ATOM 382 C GLN A 175 0.722 11.533 4.880 1.00 0.00 C ATOM 383 O GLN A 175 1.246 10.423 4.934 1.00 0.00 O ATOM 384 CB GLN A 175 2.139 12.480 6.736 1.00 0.00 C ATOM 385 CG GLN A 175 3.122 13.569 7.185 1.00 0.00 C ATOM 386 CD GLN A 175 4.098 13.023 8.226 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.071 12.349 7.911 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.898 13.294 9.497 1.00 0.00 N ATOM 0 H GLN A 175 0.232 14.063 6.436 1.00 0.00 H new ATOM 0 HA GLN A 175 2.281 13.015 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.352 12.378 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.660 11.524 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.674 13.944 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.572 14.412 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.093 13.854 9.779 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.548 12.944 10.201 1.00 0.00 H new ATOM 397 N PHE A 176 -0.526 11.663 4.402 1.00 0.00 N ATOM 398 CA PHE A 176 -1.330 10.498 3.966 1.00 0.00 C ATOM 399 C PHE A 176 -1.721 10.663 2.481 1.00 0.00 C ATOM 400 O PHE A 176 -1.559 11.747 1.913 1.00 0.00 O ATOM 401 CB PHE A 176 -2.597 10.399 4.830 1.00 0.00 C ATOM 402 CG PHE A 176 -2.307 9.991 6.269 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.873 10.940 7.218 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.434 8.642 6.655 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.571 10.548 8.536 1.00 0.00 C ATOM 406 CE2 PHE A 176 -2.135 8.248 7.973 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.715 9.202 8.914 1.00 0.00 C ATOM 0 H PHE A 176 -1.004 12.559 4.306 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.742 9.587 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -3.108 11.362 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.279 9.675 4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.772 11.976 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.763 7.906 5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.230 11.279 9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.229 7.211 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.502 8.901 9.929 1.00 0.00 H new ATOM 417 N ALA A 177 -2.146 9.603 1.787 1.00 0.00 N ATOM 418 CA ALA A 177 -2.346 9.646 0.330 1.00 0.00 C ATOM 419 C ALA A 177 -3.714 10.291 0.000 1.00 0.00 C ATOM 420 O ALA A 177 -4.758 9.712 0.311 1.00 0.00 O ATOM 421 CB ALA A 177 -2.306 8.220 -0.227 1.00 0.00 C ATOM 0 H ALA A 177 -2.360 8.700 2.210 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.554 10.242 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.454 8.247 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.339 7.769 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -3.097 7.627 0.233 1.00 0.00 H new ATOM 427 N HIS A 178 -3.766 11.420 -0.719 1.00 0.00 N ATOM 428 CA HIS A 178 -5.038 11.953 -1.246 1.00 0.00 C ATOM 429 C HIS A 178 -5.393 11.234 -2.568 1.00 0.00 C ATOM 430 O HIS A 178 -6.574 11.128 -2.913 1.00 0.00 O ATOM 431 CB HIS A 178 -4.897 13.467 -1.503 1.00 0.00 C ATOM 432 CG HIS A 178 -4.674 14.307 -0.264 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.244 15.616 -0.226 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.908 13.922 1.026 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.219 16.002 1.062 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.619 14.999 1.858 1.00 0.00 N ATOM 0 H HIS A 178 -2.948 11.983 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.831 11.782 -0.518 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -4.064 13.628 -2.188 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.797 13.820 -2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.257 12.951 1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -3.919 16.981 1.407 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.696 15.022 2.875 1.00 0.00 H new ATOM 444 N GLY A 179 -4.419 10.683 -3.312 1.00 0.00 N ATOM 445 CA GLY A 179 -4.711 9.875 -4.514 1.00 0.00 C ATOM 446 C GLY A 179 -3.881 8.586 -4.480 1.00 0.00 C ATOM 447 O GLY A 179 -2.793 8.568 -3.899 1.00 0.00 O ATOM 0 H GLY A 179 -3.425 10.780 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.773 9.635 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.479 10.445 -5.413 1.00 0.00 H new ATOM 724 N GLU A 195 3.203 -16.430 10.296 1.00 0.00 N ATOM 725 CA GLU A 195 2.697 -17.114 11.513 1.00 0.00 C ATOM 726 C GLU A 195 1.320 -16.535 11.899 1.00 0.00 C ATOM 727 O GLU A 195 1.024 -15.379 11.583 1.00 0.00 O ATOM 728 CB GLU A 195 3.688 -16.904 12.672 1.00 0.00 C ATOM 729 CG GLU A 195 4.914 -17.821 12.557 1.00 0.00 C ATOM 730 CD GLU A 195 5.885 -17.610 13.729 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.501 -17.940 14.878 1.00 0.00 O ATOM 732 OE2 GLU A 195 7.017 -17.130 13.481 1.00 0.00 O ATOM 0 HA GLU A 195 2.596 -18.180 11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.014 -15.864 12.686 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.183 -17.092 13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 195 4.591 -18.862 12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.429 -17.626 11.616 1.00 0.00 H new ATOM 739 N LEU A 196 0.452 -17.290 12.589 1.00 0.00 N ATOM 740 CA LEU A 196 -0.882 -16.797 12.977 1.00 0.00 C ATOM 741 C LEU A 196 -0.738 -15.684 14.028 1.00 0.00 C ATOM 742 O LEU A 196 0.012 -15.842 14.997 1.00 0.00 O ATOM 743 CB LEU A 196 -1.709 -17.958 13.566 1.00 0.00 C ATOM 744 CG LEU A 196 -1.969 -19.143 12.614 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.851 -20.175 13.320 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.665 -18.732 11.314 1.00 0.00 C ATOM 0 H LEU A 196 0.648 -18.244 12.891 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.389 -16.399 12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.196 -18.333 14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.670 -17.564 13.897 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.993 -19.553 12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -3.037 -21.014 12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.346 -20.532 14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.800 -19.715 13.597 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.818 -19.612 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.629 -18.279 11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.044 -18.012 10.781 1.00 0.00 H new ATOM 758 N CYS A 197 -1.460 -14.571 13.910 1.00 0.00 N ATOM 759 CA CYS A 197 -1.436 -13.515 14.925 1.00 0.00 C ATOM 760 C CYS A 197 -2.105 -14.020 16.209 1.00 0.00 C ATOM 761 O CYS A 197 -3.300 -14.336 16.206 1.00 0.00 O ATOM 762 CB CYS A 197 -2.180 -12.285 14.400 1.00 0.00 C ATOM 763 SG CYS A 197 -2.111 -10.902 15.573 1.00 0.00 S ATOM 0 H CYS A 197 -2.072 -14.375 13.118 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.403 -13.244 15.143 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.746 -11.977 13.449 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.221 -12.545 14.206 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.555 -9.875 15.001 1.00 0.00 H new ATOM 768 N ARG A 198 -1.376 -14.141 17.322 1.00 0.00 N ATOM 769 CA ARG A 198 -1.938 -14.677 18.580 1.00 0.00 C ATOM 770 C ARG A 198 -3.122 -13.816 19.025 1.00 0.00 C ATOM 771 O ARG A 198 -4.187 -14.346 19.316 1.00 0.00 O ATOM 772 CB ARG A 198 -0.852 -14.671 19.678 1.00 0.00 C ATOM 773 CG ARG A 198 0.397 -15.516 19.377 1.00 0.00 C ATOM 774 CD ARG A 198 0.094 -16.952 18.930 1.00 0.00 C ATOM 775 NE ARG A 198 1.336 -17.711 18.697 1.00 0.00 N ATOM 776 CZ ARG A 198 1.452 -18.851 18.034 1.00 0.00 C ATOM 777 NH1 ARG A 198 0.425 -19.470 17.509 1.00 0.00 N ATOM 778 NH2 ARG A 198 2.622 -19.408 17.884 1.00 0.00 N ATOM 0 H ARG A 198 -0.393 -13.876 17.385 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.278 -15.699 18.414 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.540 -13.641 19.850 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.297 -15.029 20.607 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.978 -15.021 18.599 1.00 0.00 H new ATOM 0 HG3 ARG A 198 1.022 -15.550 20.269 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -0.505 -17.454 19.690 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.501 -16.934 18.017 1.00 0.00 H new ATOM 0 HE ARG A 198 2.193 -17.318 19.086 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -0.511 -19.075 17.603 1.00 0.00 H new ATOM 0 HH12 ARG A 198 0.561 -20.347 17.006 1.00 0.00 H new ATOM 0 HH21 ARG A 198 3.452 -18.965 18.278 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.707 -20.286 17.372 1.00 0.00 H new ATOM 792 N THR A 199 -2.991 -12.487 19.100 1.00 0.00 N ATOM 793 CA THR A 199 -4.093 -11.604 19.552 1.00 0.00 C ATOM 794 C THR A 199 -5.322 -11.774 18.636 1.00 0.00 C ATOM 795 O THR A 199 -6.428 -11.974 19.140 1.00 0.00 O ATOM 796 CB THR A 199 -3.624 -10.134 19.520 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.305 -10.024 20.024 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.484 -9.211 20.372 1.00 0.00 C ATOM 0 H THR A 199 -2.134 -11.990 18.855 1.00 0.00 H new ATOM 0 HA THR A 199 -4.370 -11.877 20.570 1.00 0.00 H new ATOM 0 HB THR A 199 -3.694 -9.834 18.474 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.021 -9.086 19.996 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.101 -8.193 20.306 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.512 -9.236 20.011 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.456 -9.543 21.410 1.00 0.00 H new ATOM 806 N PHE A 200 -5.193 -11.751 17.306 1.00 0.00 N ATOM 807 CA PHE A 200 -6.366 -11.898 16.413 1.00 0.00 C ATOM 808 C PHE A 200 -6.991 -13.305 16.595 1.00 0.00 C ATOM 809 O PHE A 200 -8.214 -13.431 16.662 1.00 0.00 O ATOM 810 CB PHE A 200 -5.934 -11.711 14.957 1.00 0.00 C ATOM 811 CG PHE A 200 -7.120 -11.613 14.010 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.780 -10.382 13.821 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.590 -12.763 13.344 1.00 0.00 C ATOM 814 CE1 PHE A 200 -8.887 -10.298 12.955 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.696 -12.677 12.478 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.342 -11.444 12.280 1.00 0.00 C ATOM 0 H PHE A 200 -4.304 -11.634 16.820 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.107 -11.140 16.668 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.330 -10.808 14.873 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.301 -12.547 14.658 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.436 -9.501 14.342 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.100 -13.713 13.499 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.387 -9.352 12.809 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.049 -13.559 11.965 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.187 -11.377 11.610 1.00 0.00 H new ATOM 826 N HIS A 201 -6.201 -14.375 16.701 1.00 0.00 N ATOM 827 CA HIS A 201 -6.744 -15.750 16.852 1.00 0.00 C ATOM 828 C HIS A 201 -7.098 -16.029 18.343 1.00 0.00 C ATOM 829 O HIS A 201 -7.609 -17.107 18.658 1.00 0.00 O ATOM 830 CB HIS A 201 -5.696 -16.769 16.367 1.00 0.00 C ATOM 831 CG HIS A 201 -5.634 -16.840 14.856 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.189 -17.860 14.081 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.156 -15.869 14.021 1.00 0.00 C ATOM 834 CE1 HIS A 201 -6.039 -17.479 12.801 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.426 -16.285 12.736 1.00 0.00 N ATOM 0 H HIS A 201 -5.182 -14.329 16.686 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.650 -15.844 16.253 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.716 -16.496 16.758 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.935 -17.754 16.767 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.663 -14.954 14.312 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.365 -18.052 11.945 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.200 -15.775 11.882 1.00 0.00 H new ATOM 843 N THR A 202 -6.927 -15.072 19.268 1.00 0.00 N ATOM 844 CA THR A 202 -7.358 -15.254 20.685 1.00 0.00 C ATOM 845 C THR A 202 -8.526 -14.309 20.997 1.00 0.00 C ATOM 846 O THR A 202 -9.625 -14.772 21.307 1.00 0.00 O ATOM 847 CB THR A 202 -6.179 -14.950 21.632 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.127 -15.858 21.393 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.555 -15.124 23.105 1.00 0.00 C ATOM 0 H THR A 202 -6.498 -14.167 19.074 1.00 0.00 H new ATOM 0 HA THR A 202 -7.680 -16.285 20.831 1.00 0.00 H new ATOM 0 HB THR A 202 -5.893 -13.916 21.438 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.586 -15.541 20.639 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.691 -14.898 23.730 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.371 -14.446 23.355 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.871 -16.152 23.281 1.00 0.00 H new ATOM 857 N ILE A 203 -8.348 -12.980 20.938 1.00 0.00 N ATOM 858 CA ILE A 203 -9.427 -12.024 21.275 1.00 0.00 C ATOM 859 C ILE A 203 -10.404 -11.895 20.081 1.00 0.00 C ATOM 860 O ILE A 203 -11.474 -11.300 20.221 1.00 0.00 O ATOM 861 CB ILE A 203 -8.809 -10.626 21.593 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.462 -10.703 22.360 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.813 -9.787 22.409 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.906 -9.372 22.890 1.00 0.00 C ATOM 0 H ILE A 203 -7.471 -12.539 20.661 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.969 -12.389 22.148 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.599 -10.156 20.632 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.586 -11.382 23.203 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.717 -11.147 21.700 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.378 -8.812 22.629 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.729 -9.654 21.833 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.043 -10.301 23.342 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -5.963 -9.552 23.407 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.738 -8.690 22.056 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.621 -8.929 23.583 1.00 0.00 H new ATOM 876 N GLY A 204 -10.072 -12.407 18.886 1.00 0.00 N ATOM 877 CA GLY A 204 -10.898 -12.192 17.685 1.00 0.00 C ATOM 878 C GLY A 204 -10.593 -10.801 17.089 1.00 0.00 C ATOM 879 O GLY A 204 -11.228 -10.396 16.113 1.00 0.00 O ATOM 0 H GLY A 204 -9.239 -12.972 18.724 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.694 -12.968 16.947 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -11.955 -12.266 17.940 1.00 0.00 H new ATOM 883 N PHE A 205 -9.644 -10.030 17.649 1.00 0.00 N ATOM 884 CA PHE A 205 -9.330 -8.683 17.154 1.00 0.00 C ATOM 885 C PHE A 205 -7.837 -8.388 17.373 1.00 0.00 C ATOM 886 O PHE A 205 -7.178 -9.080 18.154 1.00 0.00 O ATOM 887 CB PHE A 205 -10.176 -7.648 17.919 1.00 0.00 C ATOM 888 CG PHE A 205 -9.907 -6.200 17.541 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.237 -5.739 16.252 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.264 -5.333 18.448 1.00 0.00 C ATOM 891 CE1 PHE A 205 -9.929 -4.419 15.873 1.00 0.00 C ATOM 892 CE2 PHE A 205 -8.954 -4.014 18.068 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.287 -3.557 16.781 1.00 0.00 C ATOM 0 H PHE A 205 -9.081 -10.321 18.448 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.557 -8.625 16.089 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.231 -7.864 17.748 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -9.995 -7.770 18.987 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.728 -6.400 15.553 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.009 -5.682 19.438 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -10.186 -4.068 14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -8.460 -3.353 18.765 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.050 -2.544 16.489 1.00 0.00 H new ATOM 903 N CYS A 206 -7.261 -7.357 16.734 1.00 0.00 N ATOM 904 CA CYS A 206 -5.853 -7.013 16.918 1.00 0.00 C ATOM 905 C CYS A 206 -5.681 -5.478 16.831 1.00 0.00 C ATOM 906 O CYS A 206 -6.117 -4.862 15.850 1.00 0.00 O ATOM 907 CB CYS A 206 -5.021 -7.686 15.828 1.00 0.00 C ATOM 908 SG CYS A 206 -3.258 -7.342 16.068 1.00 0.00 S ATOM 0 H CYS A 206 -7.757 -6.748 16.083 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.517 -7.358 17.896 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.193 -8.762 15.844 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.337 -7.328 14.848 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.592 -8.459 16.055 1.00 0.00 H new ATOM 913 N PRO A 207 -5.067 -4.812 17.832 1.00 0.00 N ATOM 914 CA PRO A 207 -4.925 -3.352 17.839 1.00 0.00 C ATOM 915 C PRO A 207 -4.034 -2.890 16.666 1.00 0.00 C ATOM 916 O PRO A 207 -4.018 -1.698 16.345 1.00 0.00 O ATOM 917 CB PRO A 207 -4.286 -2.922 19.164 1.00 0.00 C ATOM 918 CG PRO A 207 -4.500 -4.152 20.049 1.00 0.00 C ATOM 919 CD PRO A 207 -4.529 -5.338 19.079 1.00 0.00 C ATOM 0 HA PRO A 207 -5.909 -2.896 17.729 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.228 -2.685 19.047 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -4.767 -2.036 19.578 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.697 -4.258 20.778 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -5.432 -4.078 20.610 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.530 -5.749 18.932 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.152 -6.145 19.465 1.00 0.00 H new ATOM 927 N TYR A 208 -3.294 -3.780 15.980 1.00 0.00 N ATOM 928 CA TYR A 208 -2.452 -3.369 14.840 1.00 0.00 C ATOM 929 C TYR A 208 -3.284 -3.416 13.533 1.00 0.00 C ATOM 930 O TYR A 208 -2.908 -2.784 12.543 1.00 0.00 O ATOM 931 CB TYR A 208 -1.244 -4.309 14.722 1.00 0.00 C ATOM 932 CG TYR A 208 -0.248 -4.212 15.864 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.512 -4.831 17.103 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.951 -3.495 15.687 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.399 -4.702 18.169 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.857 -3.351 16.755 1.00 0.00 C ATOM 937 CZ TYR A 208 1.583 -3.953 18.001 1.00 0.00 C ATOM 938 OH TYR A 208 2.453 -3.820 19.039 1.00 0.00 O ATOM 0 H TYR A 208 -3.261 -4.777 16.191 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.098 -2.351 15.003 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.605 -5.336 14.660 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -0.726 -4.096 13.787 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.416 -5.406 17.235 1.00 0.00 H new ATOM 0 HD2 TYR A 208 1.177 -3.054 14.728 1.00 0.00 H new ATOM 0 HE1 TYR A 208 0.191 -5.177 19.116 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.763 -2.779 16.620 1.00 0.00 H new ATOM 0 HH TYR A 208 3.218 -3.276 18.757 1.00 0.00 H new ATOM 948 N GLY A 209 -4.461 -4.066 13.513 1.00 0.00 N ATOM 949 CA GLY A 209 -5.373 -4.004 12.350 1.00 0.00 C ATOM 950 C GLY A 209 -4.641 -4.482 11.072 1.00 0.00 C ATOM 951 O GLY A 209 -3.873 -5.447 11.124 1.00 0.00 O ATOM 0 H GLY A 209 -4.805 -4.639 14.284 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.249 -4.627 12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -5.731 -2.984 12.213 1.00 0.00 H new ATOM 955 N PRO A 210 -4.871 -3.861 9.895 1.00 0.00 N ATOM 956 CA PRO A 210 -4.272 -4.314 8.636 1.00 0.00 C ATOM 957 C PRO A 210 -2.748 -4.030 8.641 1.00 0.00 C ATOM 958 O PRO A 210 -2.017 -4.582 7.815 1.00 0.00 O ATOM 959 CB PRO A 210 -4.931 -3.562 7.478 1.00 0.00 C ATOM 960 CG PRO A 210 -5.416 -2.289 8.186 1.00 0.00 C ATOM 961 CD PRO A 210 -5.742 -2.727 9.621 1.00 0.00 C ATOM 0 HA PRO A 210 -4.429 -5.387 8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.227 -3.343 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.753 -4.126 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -4.648 -1.515 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -6.294 -1.874 7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.563 -1.917 10.328 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -6.791 -3.007 9.716 1.00 0.00 H new ATOM 969 N ARG A 211 -2.223 -3.206 9.565 1.00 0.00 N ATOM 970 CA ARG A 211 -0.769 -2.929 9.646 1.00 0.00 C ATOM 971 C ARG A 211 -0.057 -4.066 10.414 1.00 0.00 C ATOM 972 O ARG A 211 1.157 -3.996 10.625 1.00 0.00 O ATOM 973 CB ARG A 211 -0.541 -1.596 10.385 1.00 0.00 C ATOM 974 CG ARG A 211 -1.312 -0.388 9.822 1.00 0.00 C ATOM 975 CD ARG A 211 -0.783 0.888 10.488 1.00 0.00 C ATOM 976 NE ARG A 211 -1.634 2.065 10.232 1.00 0.00 N ATOM 977 CZ ARG A 211 -1.894 3.046 11.080 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.494 3.034 12.325 1.00 0.00 N ATOM 979 NH2 ARG A 211 -2.574 4.094 10.702 1.00 0.00 N ATOM 0 H ARG A 211 -2.779 -2.719 10.267 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.361 -2.866 8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -0.819 -1.728 11.431 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.524 -1.367 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.186 -0.330 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.379 -0.499 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -0.709 0.727 11.563 1.00 0.00 H new ATOM 0 HD3 ARG A 211 0.225 1.089 10.126 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.065 2.129 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -0.956 2.243 12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -1.720 3.815 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -2.912 4.164 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -2.767 4.843 11.366 1.00 0.00 H new ATOM 993 N CYS A 212 -0.764 -5.112 10.881 1.00 0.00 N ATOM 994 CA CYS A 212 -0.146 -6.161 11.698 1.00 0.00 C ATOM 995 C CYS A 212 0.799 -7.024 10.823 1.00 0.00 C ATOM 996 O CYS A 212 0.506 -7.272 9.646 1.00 0.00 O ATOM 997 CB CYS A 212 -1.240 -7.047 12.306 1.00 0.00 C ATOM 998 SG CYS A 212 -0.528 -8.107 13.595 1.00 0.00 S ATOM 0 H CYS A 212 -1.759 -5.249 10.705 1.00 0.00 H new ATOM 0 HA CYS A 212 0.433 -5.699 12.497 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.030 -6.426 12.728 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.697 -7.660 11.530 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.218 -7.982 14.690 1.00 0.00 H new ATOM 1003 N HIS A 213 1.933 -7.495 11.351 1.00 0.00 N ATOM 1004 CA HIS A 213 2.909 -8.279 10.571 1.00 0.00 C ATOM 1005 C HIS A 213 2.591 -9.793 10.690 1.00 0.00 C ATOM 1006 O HIS A 213 3.440 -10.625 10.363 1.00 0.00 O ATOM 1007 CB HIS A 213 4.325 -8.008 11.115 1.00 0.00 C ATOM 1008 CG HIS A 213 4.844 -6.649 10.701 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.713 -6.411 9.632 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.523 -5.454 11.277 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.907 -5.082 9.597 1.00 0.00 C ATOM 1012 NE2 HIS A 213 5.205 -4.483 10.576 1.00 0.00 N ATOM 0 H HIS A 213 2.203 -7.348 12.323 1.00 0.00 H new ATOM 0 HA HIS A 213 2.852 -7.986 9.523 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.314 -8.075 12.203 1.00 0.00 H new ATOM 0 HB3 HIS A 213 5.005 -8.780 10.755 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.863 -5.299 12.118 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.536 -4.568 8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 213 5.182 -3.481 10.767 1.00 0.00 H new ATOM 1020 N PHE A 214 1.402 -10.194 11.175 1.00 0.00 N ATOM 1021 CA PHE A 214 1.085 -11.625 11.410 1.00 0.00 C ATOM 1022 C PHE A 214 -0.262 -11.980 10.742 1.00 0.00 C ATOM 1023 O PHE A 214 -1.035 -11.083 10.390 1.00 0.00 O ATOM 1024 CB PHE A 214 1.002 -11.887 12.917 1.00 0.00 C ATOM 1025 CG PHE A 214 2.335 -11.662 13.598 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.695 -10.366 14.014 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.251 -12.723 13.730 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.980 -10.119 14.518 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.529 -12.481 14.262 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.894 -11.175 14.627 1.00 0.00 C ATOM 0 H PHE A 214 0.644 -9.554 11.413 1.00 0.00 H new ATOM 0 HA PHE A 214 1.870 -12.245 10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.252 -11.232 13.360 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.673 -12.911 13.091 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.980 -9.560 13.945 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.972 -13.720 13.423 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.263 -9.122 14.820 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.227 -13.295 14.389 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.891 -10.983 14.996 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.559 -13.266 10.483 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.745 -13.653 9.689 1.00 0.00 C ATOM 1042 C ILE A 215 -3.022 -13.429 10.518 1.00 0.00 C ATOM 1043 O ILE A 215 -3.224 -14.097 11.538 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.642 -15.150 9.288 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.384 -15.461 8.445 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.897 -15.563 8.485 1.00 0.00 C ATOM 1047 CD1 ILE A 215 -0.096 -16.960 8.280 1.00 0.00 C ATOM 0 H ILE A 215 0.001 -14.054 10.809 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.787 -13.040 8.789 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.568 -15.719 10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.501 -15.014 7.458 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.479 -14.985 8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.821 -16.614 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.786 -15.414 9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.970 -14.953 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 215 0.802 -17.094 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.055 -17.412 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.940 -17.440 7.786 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.932 -12.558 10.095 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.253 -12.432 10.727 1.00 0.00 C ATOM 1061 C HIS A 216 -6.232 -13.439 10.082 1.00 0.00 C ATOM 1062 O HIS A 216 -6.220 -14.620 10.437 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.779 -10.995 10.536 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.090 -9.985 11.422 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.409 -8.649 11.516 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.103 -10.235 12.340 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.635 -8.113 12.476 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -3.840 -9.047 13.016 1.00 0.00 N ATOM 0 H HIS A 216 -3.783 -11.922 9.312 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.170 -12.645 11.793 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.648 -10.703 9.494 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.850 -10.977 10.740 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.616 -11.184 12.509 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.652 -7.074 12.771 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.172 -8.913 13.775 1.00 0.00 H new