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 123:sc= 0.708 USER MOD Set 1.2: A 206 CYS SG : rot 127:sc= 0.372 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.575 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.975 X(o=0.68,f=0.82) USER MOD Set 2.1: A 159 CYS SG : rot -179:sc= -0.0439 USER MOD Set 2.2: A 168 CYS SG : rot -174:sc= 0.327 USER MOD Set 2.3: A 174 CYS SG : rot -173:sc= 0.572 USER MOD Set 2.4: A 178 HIS : no HE2:sc= -0.39 X(o=0.46,f=0.058) USER MOD Single : A 155 LYS NZ :NH3+ 169:sc= 0.419 (180deg=0.37) 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+ 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 201 HIS : no HD1:sc= 0.349 K(o=0.35,f=-1.2) USER MOD Single : A 202 THR OG1 : rot 86:sc= 0.715 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 2.955 9.349 2.802 1.00 0.00 N ATOM 74 CA LYS A 155 2.019 8.848 1.753 1.00 0.00 C ATOM 75 C LYS A 155 2.127 7.303 1.626 1.00 0.00 C ATOM 76 O LYS A 155 1.853 6.755 0.560 1.00 0.00 O ATOM 77 CB LYS A 155 2.350 9.517 0.396 1.00 0.00 C ATOM 78 CG LYS A 155 1.991 11.005 0.495 1.00 0.00 C ATOM 79 CD LYS A 155 1.912 11.652 -0.890 1.00 0.00 C ATOM 80 CE LYS A 155 1.628 13.149 -0.764 1.00 0.00 C ATOM 81 NZ LYS A 155 0.221 13.431 -0.408 1.00 0.00 N ATOM 0 HA LYS A 155 0.998 9.102 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.407 9.396 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.788 9.043 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.035 11.117 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.737 11.522 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.849 11.497 -1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.127 11.175 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 155 2.284 13.577 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 155 1.866 13.641 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.122 14.434 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.392 13.218 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.058 12.839 0.401 1.00 0.00 H new ATOM 95 N THR A 156 2.432 6.565 2.695 1.00 0.00 N ATOM 96 CA THR A 156 2.353 5.076 2.672 1.00 0.00 C ATOM 97 C THR A 156 0.958 4.629 3.128 1.00 0.00 C ATOM 98 O THR A 156 0.599 3.462 2.959 1.00 0.00 O ATOM 99 CB THR A 156 3.412 4.484 3.613 1.00 0.00 C ATOM 100 OG1 THR A 156 3.268 4.903 4.951 1.00 0.00 O ATOM 101 CG2 THR A 156 4.832 4.789 3.135 1.00 0.00 C ATOM 0 H THR A 156 2.735 6.956 3.587 1.00 0.00 H new ATOM 0 HA THR A 156 2.536 4.723 1.657 1.00 0.00 H new ATOM 0 HB THR A 156 3.245 3.407 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.968 4.492 5.500 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.551 4.353 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.981 4.364 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.978 5.868 3.093 1.00 0.00 H new ATOM 109 N GLU A 157 0.126 5.520 3.696 1.00 0.00 N ATOM 110 CA GLU A 157 -1.228 5.158 4.159 1.00 0.00 C ATOM 111 C GLU A 157 -2.249 6.165 3.604 1.00 0.00 C ATOM 112 O GLU A 157 -1.906 7.331 3.366 1.00 0.00 O ATOM 113 CB GLU A 157 -1.262 5.179 5.695 1.00 0.00 C ATOM 114 CG GLU A 157 -2.523 4.562 6.308 1.00 0.00 C ATOM 115 CD GLU A 157 -2.418 4.518 7.837 1.00 0.00 C ATOM 116 OE1 GLU A 157 -1.575 3.739 8.344 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.179 5.270 8.493 1.00 0.00 O ATOM 0 H GLU A 157 0.368 6.499 3.846 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.481 4.159 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.390 4.645 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.175 6.211 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.397 5.143 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -2.666 3.554 5.919 1.00 0.00 H new ATOM 124 N LEU A 158 -3.504 5.761 3.334 1.00 0.00 N ATOM 125 CA LEU A 158 -4.505 6.656 2.730 1.00 0.00 C ATOM 126 C LEU A 158 -4.845 7.798 3.698 1.00 0.00 C ATOM 127 O LEU A 158 -5.058 7.556 4.892 1.00 0.00 O ATOM 128 CB LEU A 158 -5.785 5.860 2.421 1.00 0.00 C ATOM 129 CG LEU A 158 -5.860 5.092 1.096 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.213 4.374 1.105 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.789 6.018 -0.125 1.00 0.00 C ATOM 0 H LEU A 158 -3.848 4.820 3.525 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.096 7.074 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -5.935 5.144 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.624 6.555 2.451 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.014 4.409 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.329 3.805 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.260 3.696 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.014 5.109 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.846 5.423 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.622 6.721 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.849 6.569 -0.110 1.00 0.00 H new ATOM 143 N CYS A 159 -5.039 9.030 3.215 1.00 0.00 N ATOM 144 CA CYS A 159 -5.573 10.109 4.036 1.00 0.00 C ATOM 145 C CYS A 159 -7.081 9.901 4.213 1.00 0.00 C ATOM 146 O CYS A 159 -7.853 10.140 3.275 1.00 0.00 O ATOM 147 CB CYS A 159 -5.311 11.448 3.342 1.00 0.00 C ATOM 148 SG CYS A 159 -5.783 12.879 4.352 1.00 0.00 S ATOM 0 H CYS A 159 -4.831 9.300 2.254 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.089 10.111 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.252 11.520 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -5.862 11.477 2.402 1.00 0.00 H new ATOM 0 HG CYS A 159 -5.557 13.973 3.687 1.00 0.00 H new ATOM 153 N ARG A 160 -7.550 9.350 5.343 1.00 0.00 N ATOM 154 CA ARG A 160 -8.960 8.935 5.482 1.00 0.00 C ATOM 155 C ARG A 160 -9.883 10.179 5.478 1.00 0.00 C ATOM 156 O ARG A 160 -10.938 10.147 4.852 1.00 0.00 O ATOM 157 CB ARG A 160 -9.147 8.156 6.794 1.00 0.00 C ATOM 158 CG ARG A 160 -8.171 6.981 6.992 1.00 0.00 C ATOM 159 CD ARG A 160 -8.068 6.006 5.807 1.00 0.00 C ATOM 160 NE ARG A 160 -9.360 5.371 5.479 1.00 0.00 N ATOM 161 CZ ARG A 160 -9.899 4.311 6.059 1.00 0.00 C ATOM 162 NH1 ARG A 160 -9.325 3.675 7.048 1.00 0.00 N ATOM 163 NH2 ARG A 160 -11.052 3.855 5.650 1.00 0.00 N ATOM 0 H ARG A 160 -6.979 9.181 6.171 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.224 8.293 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.036 8.847 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.167 7.773 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -7.179 7.384 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -8.476 6.421 7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -7.698 6.541 4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -7.336 5.233 6.040 1.00 0.00 H new ATOM 0 HE ARG A 160 -9.896 5.796 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -8.423 3.992 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -9.779 2.862 7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -11.539 4.316 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -11.465 3.038 6.099 1.00 0.00 H new ATOM 177 N PRO A 161 -9.506 11.321 6.115 1.00 0.00 N ATOM 178 CA PRO A 161 -10.315 12.548 6.058 1.00 0.00 C ATOM 179 C PRO A 161 -10.558 12.948 4.583 1.00 0.00 C ATOM 180 O PRO A 161 -11.676 13.333 4.225 1.00 0.00 O ATOM 181 CB PRO A 161 -9.569 13.672 6.780 1.00 0.00 C ATOM 182 CG PRO A 161 -8.668 12.883 7.727 1.00 0.00 C ATOM 183 CD PRO A 161 -8.336 11.612 6.941 1.00 0.00 C ATOM 0 HA PRO A 161 -11.277 12.375 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -8.996 14.292 6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.247 14.335 7.317 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -7.768 13.442 7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.176 12.653 8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.450 11.758 6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.121 10.783 7.615 1.00 0.00 H new ATOM 191 N PHE A 162 -9.561 12.835 3.686 1.00 0.00 N ATOM 192 CA PHE A 162 -9.744 13.182 2.269 1.00 0.00 C ATOM 193 C PHE A 162 -10.623 12.119 1.579 1.00 0.00 C ATOM 194 O PHE A 162 -11.489 12.464 0.782 1.00 0.00 O ATOM 195 CB PHE A 162 -8.375 13.245 1.578 1.00 0.00 C ATOM 196 CG PHE A 162 -8.440 13.808 0.171 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.376 15.199 -0.031 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.591 12.948 -0.935 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.462 15.730 -1.331 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.680 13.480 -2.234 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.615 14.871 -2.433 1.00 0.00 C ATOM 0 H PHE A 162 -8.624 12.507 3.919 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.234 14.153 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.701 13.858 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -7.947 12.243 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.261 15.861 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.638 11.880 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.410 16.798 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.798 12.819 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.683 15.278 -3.431 1.00 0.00 H new ATOM 211 N GLU A 163 -10.449 10.825 1.860 1.00 0.00 N ATOM 212 CA GLU A 163 -11.288 9.772 1.250 1.00 0.00 C ATOM 213 C GLU A 163 -12.755 9.917 1.737 1.00 0.00 C ATOM 214 O GLU A 163 -13.684 9.564 1.008 1.00 0.00 O ATOM 215 CB GLU A 163 -10.747 8.387 1.655 1.00 0.00 C ATOM 216 CG GLU A 163 -9.404 8.032 0.996 1.00 0.00 C ATOM 217 CD GLU A 163 -9.567 7.709 -0.495 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.858 6.531 -0.812 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.416 8.640 -1.320 1.00 0.00 O ATOM 0 H GLU A 163 -9.739 10.475 2.503 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.259 9.874 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -10.630 8.355 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.483 7.628 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -8.710 8.865 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -8.964 7.176 1.507 1.00 0.00 H new ATOM 226 N GLU A 164 -13.006 10.390 2.966 1.00 0.00 N ATOM 227 CA GLU A 164 -14.376 10.450 3.517 1.00 0.00 C ATOM 228 C GLU A 164 -15.078 11.749 3.056 1.00 0.00 C ATOM 229 O GLU A 164 -16.268 11.720 2.725 1.00 0.00 O ATOM 230 CB GLU A 164 -14.309 10.425 5.054 1.00 0.00 C ATOM 231 CG GLU A 164 -13.957 9.033 5.600 1.00 0.00 C ATOM 232 CD GLU A 164 -13.730 9.079 7.117 1.00 0.00 C ATOM 233 OE1 GLU A 164 -14.725 8.919 7.865 1.00 0.00 O ATOM 234 OE2 GLU A 164 -12.564 9.272 7.539 1.00 0.00 O ATOM 0 H GLU A 164 -12.285 10.736 3.599 1.00 0.00 H new ATOM 0 HA GLU A 164 -14.943 9.591 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.565 11.145 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.269 10.741 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -14.761 8.334 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.060 8.661 5.105 1.00 0.00 H new ATOM 241 N SER A 165 -14.417 12.917 3.092 1.00 0.00 N ATOM 242 CA SER A 165 -15.108 14.221 2.870 1.00 0.00 C ATOM 243 C SER A 165 -14.520 14.937 1.635 1.00 0.00 C ATOM 244 O SER A 165 -15.044 15.974 1.223 1.00 0.00 O ATOM 245 CB SER A 165 -14.929 15.111 4.108 1.00 0.00 C ATOM 246 OG SER A 165 -15.484 14.507 5.269 1.00 0.00 O ATOM 0 H SER A 165 -13.416 12.998 3.270 1.00 0.00 H new ATOM 0 HA SER A 165 -16.168 14.034 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.868 15.304 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.406 16.076 3.936 1.00 0.00 H new ATOM 0 HG SER A 165 -15.352 15.098 6.040 1.00 0.00 H new ATOM 252 N GLY A 166 -13.480 14.406 0.980 1.00 0.00 N ATOM 253 CA GLY A 166 -12.962 14.991 -0.276 1.00 0.00 C ATOM 254 C GLY A 166 -12.136 16.258 0.029 1.00 0.00 C ATOM 255 O GLY A 166 -11.777 16.993 -0.894 1.00 0.00 O ATOM 0 H GLY A 166 -12.978 13.575 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.343 14.261 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.791 15.239 -0.939 1.00 0.00 H new ATOM 259 N THR A 167 -11.836 16.575 1.300 1.00 0.00 N ATOM 260 CA THR A 167 -11.088 17.803 1.651 1.00 0.00 C ATOM 261 C THR A 167 -10.038 17.482 2.715 1.00 0.00 C ATOM 262 O THR A 167 -10.236 16.564 3.521 1.00 0.00 O ATOM 263 CB THR A 167 -12.067 18.864 2.198 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.380 20.080 2.400 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.772 18.502 3.514 1.00 0.00 C ATOM 0 H THR A 167 -12.097 16.002 2.102 1.00 0.00 H new ATOM 0 HA THR A 167 -10.592 18.189 0.760 1.00 0.00 H new ATOM 0 HB THR A 167 -12.846 18.936 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 167 -12.002 20.754 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.435 19.316 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.354 17.591 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 167 -12.027 18.342 4.294 1.00 0.00 H new ATOM 273 N CYS A 168 -8.909 18.210 2.784 1.00 0.00 N ATOM 274 CA CYS A 168 -7.907 17.998 3.832 1.00 0.00 C ATOM 275 C CYS A 168 -7.282 19.350 4.227 1.00 0.00 C ATOM 276 O CYS A 168 -6.774 20.075 3.362 1.00 0.00 O ATOM 277 CB CYS A 168 -6.816 17.060 3.310 1.00 0.00 C ATOM 278 SG CYS A 168 -5.715 16.662 4.695 1.00 0.00 S ATOM 0 H CYS A 168 -8.672 18.950 2.123 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.382 17.551 4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.258 16.152 2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.258 17.535 2.503 1.00 0.00 H new ATOM 0 HG CYS A 168 -4.703 15.971 4.260 1.00 0.00 H new ATOM 283 N LYS A 169 -7.314 19.746 5.507 1.00 0.00 N ATOM 284 CA LYS A 169 -6.820 21.077 5.935 1.00 0.00 C ATOM 285 C LYS A 169 -5.287 21.136 5.816 1.00 0.00 C ATOM 286 O LYS A 169 -4.711 22.225 5.868 1.00 0.00 O ATOM 287 CB LYS A 169 -7.226 21.328 7.400 1.00 0.00 C ATOM 288 CG LYS A 169 -8.714 21.102 7.730 1.00 0.00 C ATOM 289 CD LYS A 169 -8.999 21.276 9.230 1.00 0.00 C ATOM 290 CE LYS A 169 -8.329 20.188 10.085 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.679 20.344 11.512 1.00 0.00 N ATOM 0 H LYS A 169 -7.675 19.170 6.268 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.259 21.841 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.628 20.678 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.968 22.355 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.323 21.804 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.007 20.100 7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.647 22.256 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.076 21.254 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.641 19.203 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.247 20.241 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.214 19.597 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.360 21.275 11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.710 20.270 11.627 1.00 0.00 H new ATOM 305 N TYR A 170 -4.584 20.012 5.663 1.00 0.00 N ATOM 306 CA TYR A 170 -3.116 20.022 5.538 1.00 0.00 C ATOM 307 C TYR A 170 -2.719 20.286 4.067 1.00 0.00 C ATOM 308 O TYR A 170 -1.616 20.773 3.806 1.00 0.00 O ATOM 309 CB TYR A 170 -2.556 18.670 5.990 1.00 0.00 C ATOM 310 CG TYR A 170 -2.484 18.563 7.499 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.645 18.303 8.252 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.262 18.809 8.154 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.593 18.305 9.660 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.213 18.831 9.558 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.374 18.573 10.318 1.00 0.00 C ATOM 316 OH TYR A 170 -2.305 18.593 11.676 1.00 0.00 O ATOM 0 H TYR A 170 -5.002 19.082 5.622 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.705 20.812 6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.183 17.869 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.561 18.530 5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.579 18.101 7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.364 18.980 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.485 18.102 10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.281 19.047 10.059 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.387 18.793 11.954 1.00 0.00 H new ATOM 326 N GLY A 171 -3.601 20.046 3.082 1.00 0.00 N ATOM 327 CA GLY A 171 -3.323 20.392 1.674 1.00 0.00 C ATOM 328 C GLY A 171 -2.043 19.680 1.199 1.00 0.00 C ATOM 329 O GLY A 171 -1.868 18.488 1.452 1.00 0.00 O ATOM 0 H GLY A 171 -4.513 19.614 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.165 20.101 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -3.208 21.471 1.572 1.00 0.00 H new ATOM 333 N GLU A 172 -1.135 20.358 0.484 1.00 0.00 N ATOM 334 CA GLU A 172 0.079 19.712 -0.064 1.00 0.00 C ATOM 335 C GLU A 172 1.071 19.395 1.076 1.00 0.00 C ATOM 336 O GLU A 172 2.073 18.709 0.848 1.00 0.00 O ATOM 337 CB GLU A 172 0.751 20.659 -1.078 1.00 0.00 C ATOM 338 CG GLU A 172 -0.123 21.016 -2.292 1.00 0.00 C ATOM 339 CD GLU A 172 -0.490 19.784 -3.130 1.00 0.00 C ATOM 340 OE1 GLU A 172 0.347 19.371 -3.969 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.606 19.247 -2.932 1.00 0.00 O ATOM 0 H GLU A 172 -1.212 21.352 0.269 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.205 18.783 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.033 21.579 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.672 20.197 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -1.035 21.504 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.406 21.734 -2.919 1.00 0.00 H new ATOM 348 N LYS A 173 0.820 19.827 2.326 1.00 0.00 N ATOM 349 CA LYS A 173 1.697 19.487 3.467 1.00 0.00 C ATOM 350 C LYS A 173 1.167 18.227 4.175 1.00 0.00 C ATOM 351 O LYS A 173 1.775 17.766 5.144 1.00 0.00 O ATOM 352 CB LYS A 173 1.729 20.663 4.463 1.00 0.00 C ATOM 353 CG LYS A 173 2.247 21.975 3.851 1.00 0.00 C ATOM 354 CD LYS A 173 2.315 23.074 4.921 1.00 0.00 C ATOM 355 CE LYS A 173 2.856 24.396 4.365 1.00 0.00 C ATOM 356 NZ LYS A 173 1.924 25.011 3.395 1.00 0.00 N ATOM 0 H LYS A 173 0.021 20.410 2.573 1.00 0.00 H new ATOM 0 HA LYS A 173 2.705 19.295 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.724 20.826 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.359 20.393 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.235 21.817 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 173 1.591 22.289 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 173 1.320 23.237 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 173 2.951 22.740 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.034 25.089 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 173 3.818 24.220 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 2.295 25.935 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 1.827 24.391 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 0.994 25.141 3.842 1.00 0.00 H new ATOM 370 N CYS A 174 0.057 17.617 3.722 1.00 0.00 N ATOM 371 CA CYS A 174 -0.462 16.398 4.342 1.00 0.00 C ATOM 372 C CYS A 174 0.519 15.240 4.099 1.00 0.00 C ATOM 373 O CYS A 174 0.912 14.988 2.952 1.00 0.00 O ATOM 374 CB CYS A 174 -1.825 16.056 3.736 1.00 0.00 C ATOM 375 SG CYS A 174 -2.559 14.712 4.704 1.00 0.00 S ATOM 0 H CYS A 174 -0.492 17.952 2.931 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.574 16.555 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.475 16.931 3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.712 15.756 2.694 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.650 14.306 4.125 1.00 0.00 H new ATOM 380 N GLN A 175 0.970 14.531 5.135 1.00 0.00 N ATOM 381 CA GLN A 175 1.943 13.448 4.977 1.00 0.00 C ATOM 382 C GLN A 175 1.213 12.131 4.608 1.00 0.00 C ATOM 383 O GLN A 175 1.822 11.065 4.648 1.00 0.00 O ATOM 384 CB GLN A 175 2.713 13.257 6.299 1.00 0.00 C ATOM 385 CG GLN A 175 3.740 14.376 6.542 1.00 0.00 C ATOM 386 CD GLN A 175 4.949 13.878 7.337 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.897 13.313 6.799 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.977 14.062 8.636 1.00 0.00 N ATOM 0 H GLN A 175 0.675 14.689 6.099 1.00 0.00 H new ATOM 0 HA GLN A 175 2.640 13.704 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 175 2.006 13.229 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 175 3.224 12.294 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 175 4.075 14.776 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.264 15.195 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.199 14.529 9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.777 13.738 9.180 1.00 0.00 H new ATOM 397 N PHE A 176 -0.083 12.155 4.251 1.00 0.00 N ATOM 398 CA PHE A 176 -0.831 10.919 3.917 1.00 0.00 C ATOM 399 C PHE A 176 -1.314 10.980 2.454 1.00 0.00 C ATOM 400 O PHE A 176 -1.274 12.045 1.831 1.00 0.00 O ATOM 401 CB PHE A 176 -2.037 10.780 4.856 1.00 0.00 C ATOM 402 CG PHE A 176 -1.662 10.409 6.280 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.241 11.391 7.196 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.724 9.064 6.690 1.00 0.00 C ATOM 405 CE1 PHE A 176 -0.883 11.031 8.509 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.363 8.703 8.000 1.00 0.00 C ATOM 407 CZ PHE A 176 -0.944 9.687 8.911 1.00 0.00 C ATOM 0 H PHE A 176 -0.636 13.009 4.185 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.176 10.057 4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.587 11.721 4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.711 10.022 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.192 12.426 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.051 8.305 5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -0.561 11.789 9.208 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.408 7.668 8.306 1.00 0.00 H new ATOM 0 HZ PHE A 176 -0.669 9.410 9.918 1.00 0.00 H new ATOM 417 N ALA A 177 -1.699 9.857 1.838 1.00 0.00 N ATOM 418 CA ALA A 177 -1.983 9.810 0.396 1.00 0.00 C ATOM 419 C ALA A 177 -3.389 10.385 0.116 1.00 0.00 C ATOM 420 O ALA A 177 -4.387 9.810 0.556 1.00 0.00 O ATOM 421 CB ALA A 177 -1.921 8.355 -0.082 1.00 0.00 C ATOM 0 H ALA A 177 -1.822 8.964 2.316 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.243 10.406 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.131 8.314 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -0.926 7.952 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.662 7.763 0.456 1.00 0.00 H new ATOM 427 N HIS A 178 -3.526 11.447 -0.691 1.00 0.00 N ATOM 428 CA HIS A 178 -4.851 11.908 -1.155 1.00 0.00 C ATOM 429 C HIS A 178 -5.264 11.114 -2.417 1.00 0.00 C ATOM 430 O HIS A 178 -6.456 10.988 -2.700 1.00 0.00 O ATOM 431 CB HIS A 178 -4.786 13.412 -1.489 1.00 0.00 C ATOM 432 CG HIS A 178 -4.576 14.321 -0.298 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.244 15.659 -0.343 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.735 13.989 1.019 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.197 16.113 0.924 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.491 15.127 1.784 1.00 0.00 N ATOM 0 H HIS A 178 -2.743 12.003 -1.036 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.587 11.743 -0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.977 13.577 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.712 13.699 -1.988 1.00 0.00 H new ATOM 0 HD1 HIS A 178 -4.066 16.206 -1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.003 13.014 1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -3.957 17.127 1.207 1.00 0.00 H new ATOM 444 N GLY A 179 -4.323 10.533 -3.179 1.00 0.00 N ATOM 445 CA GLY A 179 -4.664 9.673 -4.325 1.00 0.00 C ATOM 446 C GLY A 179 -3.835 8.386 -4.269 1.00 0.00 C ATOM 447 O GLY A 179 -2.671 8.418 -3.859 1.00 0.00 O ATOM 0 H GLY A 179 -3.321 10.643 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.727 9.433 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.471 10.201 -5.259 1.00 0.00 H new ATOM 724 N GLU A 195 3.209 -16.287 10.520 1.00 0.00 N ATOM 725 CA GLU A 195 2.771 -16.882 11.803 1.00 0.00 C ATOM 726 C GLU A 195 1.362 -16.374 12.161 1.00 0.00 C ATOM 727 O GLU A 195 1.017 -15.229 11.854 1.00 0.00 O ATOM 728 CB GLU A 195 3.758 -16.485 12.915 1.00 0.00 C ATOM 729 CG GLU A 195 5.138 -17.151 12.780 1.00 0.00 C ATOM 730 CD GLU A 195 5.096 -18.688 12.834 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.253 -19.240 13.583 1.00 0.00 O ATOM 732 OE2 GLU A 195 5.920 -19.322 12.133 1.00 0.00 O ATOM 0 HA GLU A 195 2.747 -17.967 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 195 3.884 -15.402 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.329 -16.750 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.589 -16.842 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.786 -16.787 13.577 1.00 0.00 H new ATOM 739 N LEU A 196 0.517 -17.180 12.826 1.00 0.00 N ATOM 740 CA LEU A 196 -0.832 -16.746 13.232 1.00 0.00 C ATOM 741 C LEU A 196 -0.728 -15.581 14.226 1.00 0.00 C ATOM 742 O LEU A 196 0.066 -15.644 15.173 1.00 0.00 O ATOM 743 CB LEU A 196 -1.572 -17.924 13.898 1.00 0.00 C ATOM 744 CG LEU A 196 -1.773 -19.170 13.013 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.562 -20.224 13.790 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.525 -18.862 11.717 1.00 0.00 C ATOM 0 H LEU A 196 0.744 -18.137 13.094 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.383 -16.418 12.351 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.019 -18.219 14.790 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.550 -17.575 14.230 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.780 -19.532 12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.705 -21.106 13.165 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.011 -20.502 14.689 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.533 -19.817 14.071 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.637 -19.777 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.510 -18.460 11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.965 -18.129 11.137 1.00 0.00 H new ATOM 758 N CYS A 197 -1.526 -14.523 14.085 1.00 0.00 N ATOM 759 CA CYS A 197 -1.534 -13.423 15.044 1.00 0.00 C ATOM 760 C CYS A 197 -2.107 -13.909 16.383 1.00 0.00 C ATOM 761 O CYS A 197 -3.284 -14.282 16.460 1.00 0.00 O ATOM 762 CB CYS A 197 -2.387 -12.277 14.498 1.00 0.00 C ATOM 763 SG CYS A 197 -2.404 -10.841 15.604 1.00 0.00 S ATOM 0 H CYS A 197 -2.179 -14.406 13.310 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.515 -13.070 15.200 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -2.005 -11.976 13.522 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.408 -12.628 14.346 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.983 -9.793 14.961 1.00 0.00 H new ATOM 768 N ARG A 198 -1.314 -13.942 17.456 1.00 0.00 N ATOM 769 CA ARG A 198 -1.781 -14.417 18.775 1.00 0.00 C ATOM 770 C ARG A 198 -2.991 -13.599 19.224 1.00 0.00 C ATOM 771 O ARG A 198 -4.004 -14.173 19.606 1.00 0.00 O ATOM 772 CB ARG A 198 -0.644 -14.267 19.807 1.00 0.00 C ATOM 773 CG ARG A 198 0.395 -15.389 19.666 1.00 0.00 C ATOM 774 CD ARG A 198 1.519 -15.302 20.710 1.00 0.00 C ATOM 775 NE ARG A 198 2.509 -14.252 20.401 1.00 0.00 N ATOM 776 CZ ARG A 198 2.657 -13.072 20.983 1.00 0.00 C ATOM 777 NH1 ARG A 198 1.831 -12.608 21.885 1.00 0.00 N ATOM 778 NH2 ARG A 198 3.672 -12.322 20.662 1.00 0.00 N ATOM 0 H ARG A 198 -0.338 -13.645 17.444 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.068 -15.466 18.698 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.157 -13.300 19.676 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.061 -14.280 20.814 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -0.105 -16.353 19.758 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.830 -15.350 18.668 1.00 0.00 H new ATOM 0 HD2 ARG A 198 1.084 -15.107 21.690 1.00 0.00 H new ATOM 0 HD3 ARG A 198 2.026 -16.265 20.772 1.00 0.00 H new ATOM 0 HE ARG A 198 3.161 -14.462 19.645 1.00 0.00 H new ATOM 0 HH11 ARG A 198 1.025 -13.163 22.172 1.00 0.00 H new ATOM 0 HH12 ARG A 198 1.993 -11.691 22.301 1.00 0.00 H new ATOM 0 HH21 ARG A 198 4.345 -12.645 19.967 1.00 0.00 H new ATOM 0 HH22 ARG A 198 3.794 -11.412 21.105 1.00 0.00 H new ATOM 792 N THR A 199 -2.946 -12.265 19.200 1.00 0.00 N ATOM 793 CA THR A 199 -4.088 -11.432 19.645 1.00 0.00 C ATOM 794 C THR A 199 -5.351 -11.782 18.830 1.00 0.00 C ATOM 795 O THR A 199 -6.403 -12.031 19.417 1.00 0.00 O ATOM 796 CB THR A 199 -3.746 -9.942 19.454 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.432 -9.679 19.915 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.665 -9.025 20.257 1.00 0.00 C ATOM 0 H THR A 199 -2.138 -11.731 18.880 1.00 0.00 H new ATOM 0 HA THR A 199 -4.281 -11.629 20.699 1.00 0.00 H new ATOM 0 HB THR A 199 -3.859 -9.744 18.388 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.224 -8.730 19.787 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.381 -7.986 20.087 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.697 -9.176 19.940 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.574 -9.257 21.318 1.00 0.00 H new ATOM 806 N PHE A 200 -5.298 -11.868 17.497 1.00 0.00 N ATOM 807 CA PHE A 200 -6.502 -12.173 16.693 1.00 0.00 C ATOM 808 C PHE A 200 -6.983 -13.615 16.985 1.00 0.00 C ATOM 809 O PHE A 200 -8.186 -13.851 17.080 1.00 0.00 O ATOM 810 CB PHE A 200 -6.177 -12.029 15.201 1.00 0.00 C ATOM 811 CG PHE A 200 -7.399 -12.110 14.305 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.186 -10.962 14.085 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.762 -13.331 13.705 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.327 -11.038 13.266 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.903 -13.406 12.886 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.687 -12.258 12.667 1.00 0.00 C ATOM 0 H PHE A 200 -4.448 -11.734 16.950 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.294 -11.473 16.960 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.678 -11.074 15.036 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.473 -12.810 14.914 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.913 -10.024 14.545 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.162 -14.213 13.874 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.928 -10.157 13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.177 -14.344 12.426 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.564 -12.314 12.040 1.00 0.00 H new ATOM 826 N HIS A 201 -6.098 -14.595 17.151 1.00 0.00 N ATOM 827 CA HIS A 201 -6.519 -16.002 17.371 1.00 0.00 C ATOM 828 C HIS A 201 -6.801 -16.252 18.890 1.00 0.00 C ATOM 829 O HIS A 201 -7.250 -17.342 19.258 1.00 0.00 O ATOM 830 CB HIS A 201 -5.408 -16.951 16.885 1.00 0.00 C ATOM 831 CG HIS A 201 -5.443 -17.095 15.375 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.998 -18.179 14.688 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.073 -16.148 14.461 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.945 -17.863 13.382 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.397 -16.648 13.217 1.00 0.00 N ATOM 0 H HIS A 201 -5.088 -14.456 17.140 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.433 -16.192 16.809 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.436 -16.569 17.196 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.530 -17.929 17.351 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.615 -15.193 14.672 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.294 -18.496 12.580 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.246 -16.176 12.325 1.00 0.00 H new ATOM 843 N THR A 202 -6.594 -15.271 19.789 1.00 0.00 N ATOM 844 CA THR A 202 -6.864 -15.462 21.253 1.00 0.00 C ATOM 845 C THR A 202 -8.018 -14.544 21.704 1.00 0.00 C ATOM 846 O THR A 202 -8.842 -14.957 22.524 1.00 0.00 O ATOM 847 CB THR A 202 -5.595 -15.129 22.064 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.533 -15.977 21.684 1.00 0.00 O ATOM 849 CG2 THR A 202 -5.770 -15.299 23.575 1.00 0.00 C ATOM 0 H THR A 202 -6.245 -14.344 19.545 1.00 0.00 H new ATOM 0 HA THR A 202 -7.145 -16.501 21.427 1.00 0.00 H new ATOM 0 HB THR A 202 -5.387 -14.081 21.847 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.072 -15.596 20.908 1.00 0.00 H new ATOM 0 HG21 THR A 202 -4.837 -15.047 24.080 1.00 0.00 H new ATOM 0 HG22 THR A 202 -6.563 -14.638 23.926 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.035 -16.333 23.797 1.00 0.00 H new ATOM 857 N ILE A 203 -8.154 -13.320 21.178 1.00 0.00 N ATOM 858 CA ILE A 203 -9.281 -12.422 21.551 1.00 0.00 C ATOM 859 C ILE A 203 -10.340 -12.425 20.428 1.00 0.00 C ATOM 860 O ILE A 203 -11.438 -11.898 20.615 1.00 0.00 O ATOM 861 CB ILE A 203 -8.748 -10.971 21.766 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.389 -10.938 22.508 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.774 -10.165 22.594 1.00 0.00 C ATOM 864 CD1 ILE A 203 -6.898 -9.561 22.981 1.00 0.00 C ATOM 0 H ILE A 203 -7.508 -12.921 20.497 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.735 -12.779 22.475 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.604 -10.535 20.777 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.459 -11.592 23.377 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.631 -11.363 21.850 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.403 -9.151 22.745 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.724 -10.128 22.060 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -9.919 -10.646 23.561 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -5.938 -9.671 23.485 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.783 -8.901 22.121 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.624 -9.134 23.672 1.00 0.00 H new ATOM 876 N GLY A 204 -10.058 -12.987 19.243 1.00 0.00 N ATOM 877 CA GLY A 204 -10.977 -12.895 18.096 1.00 0.00 C ATOM 878 C GLY A 204 -10.828 -11.515 17.425 1.00 0.00 C ATOM 879 O GLY A 204 -11.561 -11.205 16.483 1.00 0.00 O ATOM 0 H GLY A 204 -9.203 -13.509 19.053 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.759 -13.685 17.378 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.005 -13.040 18.428 1.00 0.00 H new ATOM 883 N PHE A 205 -9.916 -10.643 17.892 1.00 0.00 N ATOM 884 CA PHE A 205 -9.776 -9.289 17.348 1.00 0.00 C ATOM 885 C PHE A 205 -8.307 -8.842 17.449 1.00 0.00 C ATOM 886 O PHE A 205 -7.556 -9.374 18.270 1.00 0.00 O ATOM 887 CB PHE A 205 -10.660 -8.325 18.155 1.00 0.00 C ATOM 888 CG PHE A 205 -10.552 -6.872 17.727 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.980 -6.481 16.443 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.955 -5.925 18.582 1.00 0.00 C ATOM 891 CE1 PHE A 205 -10.819 -5.149 16.020 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.793 -4.593 18.158 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.224 -4.206 16.877 1.00 0.00 C ATOM 0 H PHE A 205 -9.265 -10.857 18.648 1.00 0.00 H new ATOM 0 HA PHE A 205 -10.085 -9.283 16.303 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.699 -8.642 18.065 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.393 -8.402 19.209 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.433 -7.205 15.782 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.621 -6.222 19.565 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.152 -4.851 15.037 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.338 -3.868 18.817 1.00 0.00 H new ATOM 0 HZ PHE A 205 -10.098 -3.184 16.551 1.00 0.00 H new ATOM 903 N CYS A 206 -7.864 -7.830 16.688 1.00 0.00 N ATOM 904 CA CYS A 206 -6.498 -7.308 16.796 1.00 0.00 C ATOM 905 C CYS A 206 -6.516 -5.775 16.603 1.00 0.00 C ATOM 906 O CYS A 206 -7.110 -5.280 15.636 1.00 0.00 O ATOM 907 CB CYS A 206 -5.624 -7.953 15.721 1.00 0.00 C ATOM 908 SG CYS A 206 -3.906 -7.387 15.833 1.00 0.00 S ATOM 0 H CYS A 206 -8.437 -7.357 15.989 1.00 0.00 H new ATOM 0 HA CYS A 206 -6.093 -7.542 17.781 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.658 -9.037 15.825 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -6.023 -7.715 14.735 1.00 0.00 H new ATOM 0 HG CYS A 206 -3.113 -8.416 15.887 1.00 0.00 H new ATOM 913 N PRO A 207 -5.887 -4.979 17.494 1.00 0.00 N ATOM 914 CA PRO A 207 -5.943 -3.519 17.417 1.00 0.00 C ATOM 915 C PRO A 207 -5.101 -3.017 16.225 1.00 0.00 C ATOM 916 O PRO A 207 -5.185 -1.839 15.868 1.00 0.00 O ATOM 917 CB PRO A 207 -5.392 -2.936 18.717 1.00 0.00 C ATOM 918 CG PRO A 207 -4.474 -4.069 19.191 1.00 0.00 C ATOM 919 CD PRO A 207 -5.145 -5.356 18.688 1.00 0.00 C ATOM 0 HA PRO A 207 -6.976 -3.201 17.273 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.846 -2.007 18.552 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -6.181 -2.718 19.437 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.469 -3.961 18.782 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.378 -4.072 20.277 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.402 -6.121 18.461 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.809 -5.772 19.446 1.00 0.00 H new ATOM 927 N TYR A 208 -4.319 -3.872 15.543 1.00 0.00 N ATOM 928 CA TYR A 208 -3.568 -3.454 14.342 1.00 0.00 C ATOM 929 C TYR A 208 -4.467 -3.588 13.094 1.00 0.00 C ATOM 930 O TYR A 208 -4.188 -2.968 12.064 1.00 0.00 O ATOM 931 CB TYR A 208 -2.323 -4.337 14.178 1.00 0.00 C ATOM 932 CG TYR A 208 -1.163 -4.032 15.107 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.242 -4.332 16.481 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.022 -3.475 14.584 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.159 -4.049 17.335 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.109 -3.197 15.432 1.00 0.00 C ATOM 937 CZ TYR A 208 1.022 -3.478 16.811 1.00 0.00 C ATOM 938 OH TYR A 208 2.074 -3.197 17.626 1.00 0.00 O ATOM 0 H TYR A 208 -4.190 -4.851 15.799 1.00 0.00 H new ATOM 0 HA TYR A 208 -3.260 -2.414 14.454 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.617 -5.376 14.326 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.972 -4.248 13.150 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.138 -4.782 16.882 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.095 -3.261 13.528 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.231 -4.268 18.390 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.013 -2.767 15.026 1.00 0.00 H new ATOM 0 HH TYR A 208 2.803 -2.809 17.098 1.00 0.00 H new ATOM 948 N GLY A 209 -5.578 -4.338 13.149 1.00 0.00 N ATOM 949 CA GLY A 209 -6.512 -4.441 12.014 1.00 0.00 C ATOM 950 C GLY A 209 -5.773 -4.986 10.770 1.00 0.00 C ATOM 951 O GLY A 209 -4.925 -5.875 10.896 1.00 0.00 O ATOM 0 H GLY A 209 -5.853 -4.883 13.967 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -7.341 -5.100 12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.939 -3.463 11.794 1.00 0.00 H new ATOM 955 N PRO A 210 -6.074 -4.504 9.545 1.00 0.00 N ATOM 956 CA PRO A 210 -5.464 -5.034 8.324 1.00 0.00 C ATOM 957 C PRO A 210 -3.971 -4.618 8.251 1.00 0.00 C ATOM 958 O PRO A 210 -3.223 -5.157 7.431 1.00 0.00 O ATOM 959 CB PRO A 210 -6.214 -4.473 7.115 1.00 0.00 C ATOM 960 CG PRO A 210 -6.788 -3.174 7.697 1.00 0.00 C ATOM 961 CD PRO A 210 -7.041 -3.479 9.181 1.00 0.00 C ATOM 0 HA PRO A 210 -5.524 -6.122 8.328 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -5.552 -4.288 6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.995 -5.148 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -6.089 -2.346 7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.710 -2.888 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.912 -2.585 9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -8.061 -3.829 9.340 1.00 0.00 H new ATOM 969 N ARG A 211 -3.492 -3.680 9.091 1.00 0.00 N ATOM 970 CA ARG A 211 -2.070 -3.254 9.070 1.00 0.00 C ATOM 971 C ARG A 211 -1.225 -4.206 9.948 1.00 0.00 C ATOM 972 O ARG A 211 -0.016 -4.004 10.086 1.00 0.00 O ATOM 973 CB ARG A 211 -1.957 -1.814 9.613 1.00 0.00 C ATOM 974 CG ARG A 211 -2.673 -0.794 8.702 1.00 0.00 C ATOM 975 CD ARG A 211 -3.730 0.037 9.441 1.00 0.00 C ATOM 976 NE ARG A 211 -3.117 1.035 10.333 1.00 0.00 N ATOM 977 CZ ARG A 211 -3.735 2.030 10.943 1.00 0.00 C ATOM 978 NH1 ARG A 211 -5.031 2.204 10.887 1.00 0.00 N ATOM 979 NH2 ARG A 211 -3.044 2.899 11.624 1.00 0.00 N ATOM 0 H ARG A 211 -4.061 -3.203 9.790 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.699 -3.288 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -2.386 -1.769 10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.905 -1.543 9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.933 -0.124 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -3.148 -1.324 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -4.368 0.542 8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -4.371 -0.625 10.023 1.00 0.00 H new ATOM 0 HE ARG A 211 -2.114 0.949 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -5.610 1.555 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -5.462 2.989 11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -2.030 2.809 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -3.517 3.669 12.097 1.00 0.00 H new ATOM 993 N CYS A 212 -1.804 -5.265 10.536 1.00 0.00 N ATOM 994 CA CYS A 212 -1.042 -6.225 11.342 1.00 0.00 C ATOM 995 C CYS A 212 -0.081 -7.020 10.432 1.00 0.00 C ATOM 996 O CYS A 212 -0.453 -7.394 9.316 1.00 0.00 O ATOM 997 CB CYS A 212 -2.010 -7.190 12.031 1.00 0.00 C ATOM 998 SG CYS A 212 -1.135 -8.101 13.332 1.00 0.00 S ATOM 0 H CYS A 212 -2.800 -5.476 10.466 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.464 -5.689 12.094 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.847 -6.638 12.459 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.426 -7.886 11.303 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.733 -7.913 14.471 1.00 0.00 H new ATOM 1003 N HIS A 213 1.148 -7.313 10.865 1.00 0.00 N ATOM 1004 CA HIS A 213 2.109 -8.070 10.041 1.00 0.00 C ATOM 1005 C HIS A 213 1.900 -9.588 10.246 1.00 0.00 C ATOM 1006 O HIS A 213 2.600 -10.393 9.623 1.00 0.00 O ATOM 1007 CB HIS A 213 3.537 -7.692 10.449 1.00 0.00 C ATOM 1008 CG HIS A 213 3.933 -6.325 9.946 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.566 -6.071 8.726 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.686 -5.140 10.573 1.00 0.00 C ATOM 1011 CE1 HIS A 213 4.694 -4.736 8.650 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.175 -4.152 9.747 1.00 0.00 N ATOM 0 H HIS A 213 1.506 -7.040 11.780 1.00 0.00 H new ATOM 0 HA HIS A 213 1.950 -7.826 8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 213 3.620 -7.715 11.536 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.233 -8.436 10.060 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.202 -5.003 11.529 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.149 -4.206 7.826 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.149 -3.150 9.934 1.00 0.00 H new ATOM 1020 N PHE A 214 0.965 -10.028 11.107 1.00 0.00 N ATOM 1021 CA PHE A 214 0.794 -11.465 11.412 1.00 0.00 C ATOM 1022 C PHE A 214 -0.543 -11.977 10.812 1.00 0.00 C ATOM 1023 O PHE A 214 -1.410 -11.174 10.455 1.00 0.00 O ATOM 1024 CB PHE A 214 0.795 -11.666 12.930 1.00 0.00 C ATOM 1025 CG PHE A 214 2.157 -11.368 13.536 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.506 -10.055 13.910 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.105 -12.400 13.668 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.795 -9.779 14.406 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.392 -12.125 14.166 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.738 -10.813 14.534 1.00 0.00 C ATOM 0 H PHE A 214 0.318 -9.415 11.603 1.00 0.00 H new ATOM 0 HA PHE A 214 1.617 -12.029 10.972 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.045 -11.018 13.383 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.511 -12.692 13.161 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.783 -9.258 13.816 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.843 -13.409 13.385 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.059 -8.771 14.689 1.00 0.00 H new ATOM 0 HE2 PHE A 214 5.114 -12.922 14.266 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.726 -10.600 14.914 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.719 -13.295 10.607 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.879 -13.827 9.852 1.00 0.00 C ATOM 1042 C ILE A 215 -3.156 -13.728 10.710 1.00 0.00 C ATOM 1043 O ILE A 215 -3.249 -14.380 11.755 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.621 -15.313 9.480 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.329 -15.517 8.656 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.825 -15.871 8.691 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.092 -16.989 8.544 1.00 0.00 C ATOM 0 H ILE A 215 -0.079 -14.012 10.950 1.00 0.00 H new ATOM 0 HA ILE A 215 -2.011 -13.240 8.943 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.493 -15.853 10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.476 -15.111 7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.480 -14.949 9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.639 -16.913 8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.724 -15.804 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.963 -15.290 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.005 -17.062 7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.271 -17.393 9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.701 -17.558 8.058 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.189 -13.008 10.273 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.504 -13.047 10.935 1.00 0.00 C ATOM 1061 C HIS A 216 -6.356 -14.171 10.306 1.00 0.00 C ATOM 1062 O HIS A 216 -6.283 -15.321 10.748 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.216 -11.688 10.757 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.605 -10.555 11.540 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -6.045 -9.250 11.545 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.555 -10.639 12.410 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.277 -8.569 12.413 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.373 -9.382 12.977 1.00 0.00 N ATOM 0 H HIS A 216 -4.146 -12.389 9.464 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.373 -13.242 11.999 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -6.211 -11.426 9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.259 -11.797 11.054 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.971 -11.523 12.620 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.375 -7.515 12.626 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.684 -9.128 13.685 1.00 0.00 H new