USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 272 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 212 CYS SG : rot 10:sc= -1.24 USER MOD Set 1.2: A 239 CYS SG : rot 176:sc= 0.282 USER MOD Set 1.3: A 242 CYS SG : rot 105:sc= 0.188 USER MOD Set 2.1: A 199 CYS SG : rot -163:sc= -0.824 USER MOD Set 2.2: A 201 CYS SG : rot 83:sc= 1.31 USER MOD Set 2.3: A 206 TYR OH : rot 173:sc= 0.0672 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.781 X(o=-0.025,f=0.098) USER MOD Set 2.5: A 226 CYS SG : rot -33:sc= 0.201 USER MOD Single : A 197 THR OG1 : rot -27:sc= 0.0875 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.2) USER MOD Single : A 203 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl -179:sc= 0 (180deg=-0.00168) USER MOD Single : A 217 CYS SG : rot 110:sc= 0.495 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -7.996 2.700 -8.707 1.00 0.00 N ATOM 149 CA THR A 197 -7.429 1.392 -8.381 1.00 0.00 C ATOM 150 C THR A 197 -5.906 1.482 -8.530 1.00 0.00 C ATOM 151 O THR A 197 -5.430 2.136 -9.461 1.00 0.00 O ATOM 152 CB THR A 197 -8.002 0.322 -9.327 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.800 0.647 -10.688 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.500 0.086 -9.106 1.00 0.00 C ATOM 0 HA THR A 197 -7.684 1.110 -7.359 1.00 0.00 H new ATOM 0 HB THR A 197 -7.455 -0.590 -9.086 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.750 1.621 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.854 -0.678 -9.798 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.669 -0.247 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.044 1.014 -9.280 1.00 0.00 H new ATOM 162 N TYR A 198 -5.136 0.863 -7.611 1.00 0.00 N ATOM 163 CA TYR A 198 -3.684 1.118 -7.557 1.00 0.00 C ATOM 164 C TYR A 198 -2.861 -0.018 -6.937 1.00 0.00 C ATOM 165 O TYR A 198 -1.832 -0.363 -7.516 1.00 0.00 O ATOM 166 CB TYR A 198 -3.371 2.402 -6.774 1.00 0.00 C ATOM 167 CG TYR A 198 -4.203 3.640 -7.082 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.451 3.834 -6.456 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.730 4.599 -8.000 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.223 4.972 -6.736 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.502 5.737 -8.296 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.753 5.928 -7.665 1.00 0.00 C ATOM 173 OH TYR A 198 -6.505 7.030 -7.952 1.00 0.00 O ATOM 0 H TYR A 198 -5.483 0.202 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.393 1.211 -8.603 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.478 2.182 -5.712 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.324 2.651 -6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.817 3.099 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.772 4.460 -8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.173 5.117 -6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.139 6.466 -9.006 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.035 7.585 -8.609 1.00 0.00 H new ATOM 183 N CYS A 199 -3.292 -0.591 -5.795 1.00 0.00 N ATOM 184 CA CYS A 199 -2.776 -1.818 -5.191 1.00 0.00 C ATOM 185 C CYS A 199 -2.403 -2.905 -6.198 1.00 0.00 C ATOM 186 O CYS A 199 -2.818 -2.919 -7.357 1.00 0.00 O ATOM 187 CB CYS A 199 -3.893 -2.437 -4.326 1.00 0.00 C ATOM 188 SG CYS A 199 -5.482 -2.326 -5.093 1.00 0.00 S ATOM 0 H CYS A 199 -4.049 -0.182 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.881 -1.525 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.659 -3.484 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.923 -1.932 -3.361 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.408 -2.530 -4.204 1.00 0.00 H new ATOM 193 N LEU A 200 -1.736 -3.924 -5.656 1.00 0.00 N ATOM 194 CA LEU A 200 -1.496 -5.172 -6.361 1.00 0.00 C ATOM 195 C LEU A 200 -2.806 -5.956 -6.511 1.00 0.00 C ATOM 196 O LEU A 200 -2.816 -6.980 -7.192 1.00 0.00 O ATOM 197 CB LEU A 200 -0.440 -6.026 -5.631 1.00 0.00 C ATOM 198 CG LEU A 200 0.719 -5.235 -4.995 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.643 -6.192 -4.229 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.542 -4.448 -6.026 1.00 0.00 C ATOM 0 H LEU A 200 -1.348 -3.902 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.111 -4.934 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.938 -6.601 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.024 -6.743 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 200 0.271 -4.510 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.461 -5.628 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.077 -6.695 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.048 -6.935 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.344 -3.911 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.971 -5.138 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.896 -3.735 -6.539 1.00 0.00 H new ATOM 212 N CYS A 201 -3.902 -5.480 -5.891 1.00 0.00 N ATOM 213 CA CYS A 201 -5.212 -6.053 -6.031 1.00 0.00 C ATOM 214 C CYS A 201 -6.054 -5.304 -7.076 1.00 0.00 C ATOM 215 O CYS A 201 -7.093 -5.818 -7.487 1.00 0.00 O ATOM 216 CB CYS A 201 -5.855 -5.939 -4.661 1.00 0.00 C ATOM 217 SG CYS A 201 -5.042 -6.980 -3.419 1.00 0.00 S ATOM 0 H CYS A 201 -3.879 -4.670 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.148 -7.085 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.824 -4.899 -4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.906 -6.219 -4.733 1.00 0.00 H new ATOM 0 HG CYS A 201 -4.000 -6.361 -2.949 1.00 0.00 H new ATOM 222 N HIS A 202 -5.602 -4.102 -7.475 1.00 0.00 N ATOM 223 CA HIS A 202 -6.289 -3.143 -8.346 1.00 0.00 C ATOM 224 C HIS A 202 -7.772 -2.953 -7.974 1.00 0.00 C ATOM 225 O HIS A 202 -8.659 -3.082 -8.817 1.00 0.00 O ATOM 226 CB HIS A 202 -5.997 -3.430 -9.831 1.00 0.00 C ATOM 227 CG HIS A 202 -6.397 -4.800 -10.322 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.658 -5.195 -10.708 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.578 -5.889 -10.458 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.594 -6.491 -11.057 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.343 -6.963 -10.923 1.00 0.00 N ATOM 0 H HIS A 202 -4.690 -3.757 -7.177 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.869 -2.153 -8.168 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.512 -2.683 -10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.929 -3.299 -10.005 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.520 -5.914 -10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.435 -7.075 -11.399 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.018 -7.910 -11.120 1.00 0.00 H new ATOM 239 N GLN A 203 -8.028 -2.665 -6.686 1.00 0.00 N ATOM 240 CA GLN A 203 -9.351 -2.451 -6.106 1.00 0.00 C ATOM 241 C GLN A 203 -9.163 -1.846 -4.715 1.00 0.00 C ATOM 242 O GLN A 203 -8.274 -2.269 -3.987 1.00 0.00 O ATOM 243 CB GLN A 203 -10.161 -3.763 -6.037 1.00 0.00 C ATOM 244 CG GLN A 203 -9.560 -4.830 -5.109 1.00 0.00 C ATOM 245 CD GLN A 203 -10.193 -6.202 -5.330 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.122 -6.584 -4.627 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.689 -6.955 -6.308 1.00 0.00 N ATOM 0 H GLN A 203 -7.281 -2.573 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.922 -1.770 -6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.172 -3.534 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.245 -4.178 -7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.485 -4.895 -5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.701 -4.529 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.916 -6.606 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.077 -7.881 -6.490 1.00 0.00 H new ATOM 256 N VAL A 204 -9.998 -0.870 -4.354 1.00 0.00 N ATOM 257 CA VAL A 204 -9.938 -0.122 -3.081 1.00 0.00 C ATOM 258 C VAL A 204 -11.321 -0.088 -2.391 1.00 0.00 C ATOM 259 O VAL A 204 -12.314 -0.534 -2.964 1.00 0.00 O ATOM 260 CB VAL A 204 -9.306 1.291 -3.266 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.588 1.772 -1.982 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.292 1.341 -4.421 1.00 0.00 C ATOM 0 H VAL A 204 -10.763 -0.562 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.268 -0.656 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.144 1.949 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.161 2.760 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.304 1.822 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.792 1.072 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.884 2.348 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.483 0.637 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.789 1.073 -5.353 1.00 0.00 H new ATOM 272 N SER A 205 -11.368 0.425 -1.148 1.00 0.00 N ATOM 273 CA SER A 205 -12.529 0.448 -0.248 1.00 0.00 C ATOM 274 C SER A 205 -12.971 -0.962 0.193 1.00 0.00 C ATOM 275 O SER A 205 -14.063 -1.424 -0.137 1.00 0.00 O ATOM 276 CB SER A 205 -13.654 1.324 -0.824 1.00 0.00 C ATOM 277 OG SER A 205 -14.604 1.630 0.174 1.00 0.00 O ATOM 0 H SER A 205 -10.548 0.859 -0.723 1.00 0.00 H new ATOM 0 HA SER A 205 -12.226 0.927 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.234 2.245 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.140 0.805 -1.650 1.00 0.00 H new ATOM 0 HG SER A 205 -15.312 2.189 -0.209 1.00 0.00 H new ATOM 283 N TYR A 206 -12.077 -1.650 0.918 1.00 0.00 N ATOM 284 CA TYR A 206 -12.204 -3.035 1.372 1.00 0.00 C ATOM 285 C TYR A 206 -11.186 -3.273 2.497 1.00 0.00 C ATOM 286 O TYR A 206 -9.974 -3.245 2.272 1.00 0.00 O ATOM 287 CB TYR A 206 -12.019 -4.049 0.210 1.00 0.00 C ATOM 288 CG TYR A 206 -10.639 -4.167 -0.433 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.922 -3.010 -0.781 1.00 0.00 C ATOM 290 CD2 TYR A 206 -10.053 -5.429 -0.689 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.637 -3.097 -1.300 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.771 -5.524 -1.274 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.052 -4.342 -1.575 1.00 0.00 C ATOM 294 OH TYR A 206 -6.820 -4.338 -2.162 1.00 0.00 O ATOM 0 H TYR A 206 -11.198 -1.228 1.218 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.213 -3.196 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.299 -5.035 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.730 -3.790 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.376 -2.040 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.592 -6.330 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.080 -2.193 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.342 -6.491 -1.490 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.472 -5.253 -2.199 1.00 0.00 H new ATOM 304 N GLY A 207 -11.682 -3.487 3.724 1.00 0.00 N ATOM 305 CA GLY A 207 -10.877 -3.679 4.908 1.00 0.00 C ATOM 306 C GLY A 207 -9.992 -2.479 5.232 1.00 0.00 C ATOM 307 O GLY A 207 -10.192 -1.350 4.781 1.00 0.00 O ATOM 0 H GLY A 207 -12.684 -3.530 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.531 -3.880 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.249 -4.560 4.774 1.00 0.00 H new ATOM 311 N GLU A 208 -9.004 -2.800 6.054 1.00 0.00 N ATOM 312 CA GLU A 208 -7.856 -1.975 6.417 1.00 0.00 C ATOM 313 C GLU A 208 -6.911 -1.778 5.215 1.00 0.00 C ATOM 314 O GLU A 208 -6.728 -2.674 4.391 1.00 0.00 O ATOM 315 CB GLU A 208 -7.156 -2.558 7.662 1.00 0.00 C ATOM 316 CG GLU A 208 -6.880 -4.075 7.672 1.00 0.00 C ATOM 317 CD GLU A 208 -8.116 -4.932 7.954 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.574 -4.915 9.117 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.592 -5.585 6.998 1.00 0.00 O ATOM 0 H GLU A 208 -8.980 -3.708 6.519 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.199 -0.977 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.205 -2.041 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.765 -2.320 8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.463 -4.364 6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.122 -4.291 8.425 1.00 0.00 H new ATOM 326 N MET A 209 -6.322 -0.575 5.123 1.00 0.00 N ATOM 327 CA MET A 209 -5.599 -0.045 3.958 1.00 0.00 C ATOM 328 C MET A 209 -4.452 0.865 4.413 1.00 0.00 C ATOM 329 O MET A 209 -4.514 1.430 5.506 1.00 0.00 O ATOM 330 CB MET A 209 -6.613 0.755 3.114 1.00 0.00 C ATOM 331 CG MET A 209 -7.715 -0.143 2.524 1.00 0.00 C ATOM 332 SD MET A 209 -8.826 0.633 1.324 1.00 0.00 S ATOM 333 CE MET A 209 -9.716 1.785 2.401 1.00 0.00 C ATOM 0 H MET A 209 -6.339 0.087 5.899 1.00 0.00 H new ATOM 0 HA MET A 209 -5.166 -0.856 3.373 1.00 0.00 H new ATOM 0 HB2 MET A 209 -7.069 1.528 3.733 1.00 0.00 H new ATOM 0 HB3 MET A 209 -6.089 1.263 2.305 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.239 -0.999 2.046 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.317 -0.531 3.346 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.456 2.332 1.816 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.218 1.229 3.193 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.011 2.489 2.843 1.00 0.00 H new ATOM 343 N ILE A 210 -3.411 1.015 3.574 1.00 0.00 N ATOM 344 CA ILE A 210 -2.210 1.770 3.906 1.00 0.00 C ATOM 345 C ILE A 210 -1.799 2.577 2.669 1.00 0.00 C ATOM 346 O ILE A 210 -2.644 3.187 2.012 1.00 0.00 O ATOM 347 CB ILE A 210 -1.143 0.831 4.556 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.030 1.535 5.283 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.588 -0.304 3.673 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.410 2.482 6.406 1.00 0.00 C ATOM 0 H ILE A 210 -3.389 0.608 2.639 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.369 2.516 4.685 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.776 0.367 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.693 0.777 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.610 2.099 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.142 -0.882 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.405 -0.956 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.108 0.122 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.469 2.935 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.048 3.264 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.964 1.921 7.159 1.00 0.00 H new ATOM 362 N GLY A 211 -0.503 2.621 2.393 1.00 0.00 N ATOM 363 CA GLY A 211 0.131 3.474 1.417 1.00 0.00 C ATOM 364 C GLY A 211 1.558 3.816 1.793 1.00 0.00 C ATOM 365 O GLY A 211 1.838 4.215 2.922 1.00 0.00 O ATOM 0 H GLY A 211 0.167 2.024 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.122 2.980 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.445 4.393 1.312 1.00 0.00 H new ATOM 369 N CYS A 212 2.443 3.639 0.805 1.00 0.00 N ATOM 370 CA CYS A 212 3.865 3.929 0.917 1.00 0.00 C ATOM 371 C CYS A 212 4.038 5.429 1.168 1.00 0.00 C ATOM 372 O CYS A 212 3.599 6.246 0.358 1.00 0.00 O ATOM 373 CB CYS A 212 4.637 3.462 -0.330 1.00 0.00 C ATOM 374 SG CYS A 212 6.386 3.934 -0.156 1.00 0.00 S ATOM 0 H CYS A 212 2.178 3.282 -0.113 1.00 0.00 H new ATOM 0 HA CYS A 212 4.286 3.375 1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.548 2.382 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.213 3.914 -1.227 1.00 0.00 H new ATOM 0 HG CYS A 212 6.603 4.357 1.054 1.00 0.00 H new ATOM 379 N ASP A 213 4.687 5.761 2.292 1.00 0.00 N ATOM 380 CA ASP A 213 4.937 7.124 2.753 1.00 0.00 C ATOM 381 C ASP A 213 5.905 7.922 1.850 1.00 0.00 C ATOM 382 O ASP A 213 6.204 9.074 2.164 1.00 0.00 O ATOM 383 CB ASP A 213 5.437 7.070 4.203 1.00 0.00 C ATOM 384 CG ASP A 213 4.351 6.625 5.189 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.023 5.418 5.189 1.00 0.00 O ATOM 386 OD2 ASP A 213 3.894 7.495 5.960 1.00 0.00 O ATOM 0 H ASP A 213 5.065 5.057 2.926 1.00 0.00 H new ATOM 0 HA ASP A 213 3.995 7.670 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.282 6.384 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.804 8.055 4.493 1.00 0.00 H new ATOM 391 N ASP A 214 6.395 7.336 0.746 1.00 0.00 N ATOM 392 CA ASP A 214 7.114 8.037 -0.310 1.00 0.00 C ATOM 393 C ASP A 214 6.109 8.935 -1.058 1.00 0.00 C ATOM 394 O ASP A 214 5.171 8.402 -1.655 1.00 0.00 O ATOM 395 CB ASP A 214 7.731 6.987 -1.250 1.00 0.00 C ATOM 396 CG ASP A 214 8.452 7.560 -2.471 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.886 8.731 -2.408 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.558 6.799 -3.457 1.00 0.00 O ATOM 0 H ASP A 214 6.296 6.337 0.566 1.00 0.00 H new ATOM 0 HA ASP A 214 7.914 8.661 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.436 6.381 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.941 6.319 -1.593 1.00 0.00 H new ATOM 403 N PRO A 215 6.278 10.274 -1.060 1.00 0.00 N ATOM 404 CA PRO A 215 5.385 11.195 -1.762 1.00 0.00 C ATOM 405 C PRO A 215 5.612 11.219 -3.284 1.00 0.00 C ATOM 406 O PRO A 215 4.985 12.016 -3.980 1.00 0.00 O ATOM 407 CB PRO A 215 5.652 12.561 -1.121 1.00 0.00 C ATOM 408 CG PRO A 215 7.142 12.486 -0.795 1.00 0.00 C ATOM 409 CD PRO A 215 7.326 11.026 -0.381 1.00 0.00 C ATOM 0 HA PRO A 215 4.345 10.886 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.426 13.381 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.048 12.715 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.758 12.743 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.415 13.171 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.313 10.662 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.246 10.915 0.700 1.00 0.00 H new ATOM 417 N ASP A 216 6.478 10.331 -3.792 1.00 0.00 N ATOM 418 CA ASP A 216 6.745 10.114 -5.209 1.00 0.00 C ATOM 419 C ASP A 216 6.439 8.655 -5.598 1.00 0.00 C ATOM 420 O ASP A 216 6.737 8.245 -6.721 1.00 0.00 O ATOM 421 CB ASP A 216 8.195 10.538 -5.507 1.00 0.00 C ATOM 422 CG ASP A 216 8.491 10.660 -7.004 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.799 11.469 -7.662 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.420 9.961 -7.466 1.00 0.00 O ATOM 0 H ASP A 216 7.034 9.720 -3.194 1.00 0.00 H new ATOM 0 HA ASP A 216 6.088 10.727 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.393 11.495 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.877 9.811 -5.066 1.00 0.00 H new ATOM 429 N CYS A 217 5.817 7.874 -4.693 1.00 0.00 N ATOM 430 CA CYS A 217 5.319 6.539 -4.996 1.00 0.00 C ATOM 431 C CYS A 217 4.289 6.605 -6.133 1.00 0.00 C ATOM 432 O CYS A 217 3.320 7.361 -6.070 1.00 0.00 O ATOM 433 CB CYS A 217 4.683 5.953 -3.739 1.00 0.00 C ATOM 434 SG CYS A 217 4.118 4.256 -4.016 1.00 0.00 S ATOM 0 H CYS A 217 5.650 8.163 -3.729 1.00 0.00 H new ATOM 0 HA CYS A 217 6.143 5.903 -5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.405 5.969 -2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.841 6.573 -3.432 1.00 0.00 H new ATOM 0 HG CYS A 217 4.875 3.433 -3.353 1.00 0.00 H new ATOM 440 N SER A 218 4.507 5.768 -7.151 1.00 0.00 N ATOM 441 CA SER A 218 3.707 5.690 -8.379 1.00 0.00 C ATOM 442 C SER A 218 2.357 4.975 -8.189 1.00 0.00 C ATOM 443 O SER A 218 1.631 4.777 -9.163 1.00 0.00 O ATOM 444 CB SER A 218 4.521 4.972 -9.466 1.00 0.00 C ATOM 445 OG SER A 218 5.746 5.634 -9.704 1.00 0.00 O ATOM 0 H SER A 218 5.277 5.099 -7.143 1.00 0.00 H new ATOM 0 HA SER A 218 3.476 6.714 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.713 3.943 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.942 4.928 -10.389 1.00 0.00 H new ATOM 0 HG SER A 218 6.246 5.157 -10.398 1.00 0.00 H new ATOM 451 N ILE A 219 2.035 4.568 -6.952 1.00 0.00 N ATOM 452 CA ILE A 219 0.910 3.703 -6.599 1.00 0.00 C ATOM 453 C ILE A 219 0.157 4.287 -5.388 1.00 0.00 C ATOM 454 O ILE A 219 -1.070 4.216 -5.339 1.00 0.00 O ATOM 455 CB ILE A 219 1.467 2.291 -6.302 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.218 1.621 -7.477 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.363 1.364 -5.785 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.350 1.267 -8.690 1.00 0.00 C ATOM 0 H ILE A 219 2.580 4.848 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 219 0.196 3.639 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 219 2.218 2.449 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 219 3.016 2.287 -7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.692 0.710 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.781 0.378 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.056 1.775 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.422 1.279 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.969 0.803 -9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.567 0.572 -8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.896 2.174 -9.090 1.00 0.00 H new ATOM 470 N GLU A 220 0.898 4.907 -4.457 1.00 0.00 N ATOM 471 CA GLU A 220 0.444 5.726 -3.326 1.00 0.00 C ATOM 472 C GLU A 220 -0.202 4.949 -2.163 1.00 0.00 C ATOM 473 O GLU A 220 0.087 5.269 -1.014 1.00 0.00 O ATOM 474 CB GLU A 220 -0.386 6.933 -3.840 1.00 0.00 C ATOM 475 CG GLU A 220 -1.840 7.068 -3.352 1.00 0.00 C ATOM 476 CD GLU A 220 -1.965 7.538 -1.897 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.313 8.550 -1.558 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.728 6.891 -1.147 1.00 0.00 O ATOM 0 H GLU A 220 1.916 4.842 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 220 1.339 6.121 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.145 7.845 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.402 6.889 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.366 7.771 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.339 6.105 -3.457 1.00 0.00 H new ATOM 485 N TRP A 221 -1.013 3.921 -2.445 1.00 0.00 N ATOM 486 CA TRP A 221 -1.803 3.150 -1.482 1.00 0.00 C ATOM 487 C TRP A 221 -1.627 1.659 -1.783 1.00 0.00 C ATOM 488 O TRP A 221 -1.450 1.251 -2.932 1.00 0.00 O ATOM 489 CB TRP A 221 -3.267 3.603 -1.502 1.00 0.00 C ATOM 490 CG TRP A 221 -4.195 2.625 -2.089 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.557 2.572 -3.378 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.752 1.459 -1.441 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.244 1.396 -3.597 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.372 0.656 -2.436 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.713 0.974 -0.120 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.933 -0.589 -2.124 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.276 -0.269 0.189 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.867 -1.059 -0.803 1.00 0.00 C ATOM 0 H TRP A 221 -1.141 3.589 -3.401 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.450 3.328 -0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.582 3.818 -0.481 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.339 4.536 -2.061 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.346 3.325 -4.122 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.612 1.108 -4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.247 1.563 0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.411 -1.180 -2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.254 -0.624 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.272 -2.029 -0.553 1.00 0.00 H new ATOM 509 N PHE A 222 -1.700 0.842 -0.731 1.00 0.00 N ATOM 510 CA PHE A 222 -1.461 -0.594 -0.793 1.00 0.00 C ATOM 511 C PHE A 222 -2.306 -1.239 0.279 1.00 0.00 C ATOM 512 O PHE A 222 -2.512 -0.674 1.350 1.00 0.00 O ATOM 513 CB PHE A 222 0.008 -0.923 -0.501 1.00 0.00 C ATOM 514 CG PHE A 222 0.966 -0.471 -1.576 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.403 0.864 -1.594 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.375 -1.362 -2.586 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.212 1.327 -2.637 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.217 -0.909 -3.613 1.00 0.00 C ATOM 519 CZ PHE A 222 2.631 0.433 -3.634 1.00 0.00 C ATOM 0 H PHE A 222 -1.932 1.171 0.206 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.709 -0.958 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.293 -0.458 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.109 -2.000 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.113 1.536 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.042 -2.389 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.512 2.364 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.546 -1.590 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.278 0.780 -4.426 1.00 0.00 H new ATOM 529 N HIS A 223 -2.785 -2.441 -0.016 1.00 0.00 N ATOM 530 CA HIS A 223 -3.573 -3.201 0.930 1.00 0.00 C ATOM 531 C HIS A 223 -2.699 -3.739 2.067 1.00 0.00 C ATOM 532 O HIS A 223 -1.516 -4.029 1.892 1.00 0.00 O ATOM 533 CB HIS A 223 -4.257 -4.306 0.130 1.00 0.00 C ATOM 534 CG HIS A 223 -5.426 -4.993 0.765 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.823 -6.282 0.419 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.320 -4.455 1.645 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.925 -6.512 1.154 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.250 -5.433 1.890 1.00 0.00 N ATOM 0 H HIS A 223 -2.637 -2.908 -0.911 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.324 -2.582 1.421 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.590 -3.880 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.509 -5.063 -0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.299 -3.460 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.477 -7.440 1.154 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.048 -5.356 2.520 1.00 0.00 H new ATOM 546 N PHE A 224 -3.332 -3.908 3.227 1.00 0.00 N ATOM 547 CA PHE A 224 -2.803 -4.638 4.384 1.00 0.00 C ATOM 548 C PHE A 224 -2.500 -6.119 4.077 1.00 0.00 C ATOM 549 O PHE A 224 -1.947 -6.801 4.938 1.00 0.00 O ATOM 550 CB PHE A 224 -3.808 -4.544 5.545 1.00 0.00 C ATOM 551 CG PHE A 224 -3.544 -3.477 6.595 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.351 -2.127 6.237 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.579 -3.832 7.958 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.211 -1.148 7.239 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.479 -2.845 8.952 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.282 -1.504 8.594 1.00 0.00 C ATOM 0 H PHE A 224 -4.263 -3.527 3.396 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.855 -4.173 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.798 -4.369 5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.841 -5.512 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.311 -1.844 5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.683 -4.869 8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -3.048 -0.117 6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.554 -3.119 9.994 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.185 -0.748 9.359 1.00 0.00 H new ATOM 566 N ALA A 225 -2.816 -6.609 2.868 1.00 0.00 N ATOM 567 CA ALA A 225 -2.438 -7.921 2.368 1.00 0.00 C ATOM 568 C ALA A 225 -1.633 -7.844 1.060 1.00 0.00 C ATOM 569 O ALA A 225 -1.151 -8.877 0.597 1.00 0.00 O ATOM 570 CB ALA A 225 -3.685 -8.802 2.238 1.00 0.00 C ATOM 0 H ALA A 225 -3.363 -6.074 2.193 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.765 -8.382 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.399 -9.785 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.158 -8.910 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.387 -8.339 1.544 1.00 0.00 H new ATOM 576 N CYS A 226 -1.428 -6.642 0.486 1.00 0.00 N ATOM 577 CA CYS A 226 -0.469 -6.416 -0.595 1.00 0.00 C ATOM 578 C CYS A 226 0.986 -6.473 -0.088 1.00 0.00 C ATOM 579 O CYS A 226 1.914 -6.432 -0.895 1.00 0.00 O ATOM 580 CB CYS A 226 -0.754 -5.080 -1.262 1.00 0.00 C ATOM 581 SG CYS A 226 -2.121 -5.208 -2.448 1.00 0.00 S ATOM 0 H CYS A 226 -1.930 -5.800 0.767 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.586 -7.215 -1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -0.998 -4.337 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.142 -4.729 -1.774 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.110 -6.386 -2.997 1.00 0.00 H new ATOM 587 N VAL A 227 1.180 -6.588 1.235 1.00 0.00 N ATOM 588 CA VAL A 227 2.464 -6.786 1.908 1.00 0.00 C ATOM 589 C VAL A 227 2.375 -7.868 3.006 1.00 0.00 C ATOM 590 O VAL A 227 3.387 -8.231 3.605 1.00 0.00 O ATOM 591 CB VAL A 227 2.964 -5.423 2.428 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.056 -4.896 3.551 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.434 -5.461 2.884 1.00 0.00 C ATOM 0 H VAL A 227 0.403 -6.542 1.894 1.00 0.00 H new ATOM 0 HA VAL A 227 3.199 -7.169 1.200 1.00 0.00 H new ATOM 0 HB VAL A 227 2.915 -4.732 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.430 -3.934 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.041 -4.775 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.052 -5.606 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.730 -4.474 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.546 -6.186 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.068 -5.750 2.045 1.00 0.00 H new ATOM 603 N GLY A 228 1.168 -8.390 3.266 1.00 0.00 N ATOM 604 CA GLY A 228 0.883 -9.324 4.353 1.00 0.00 C ATOM 605 C GLY A 228 1.050 -8.694 5.741 1.00 0.00 C ATOM 606 O GLY A 228 1.540 -9.364 6.649 1.00 0.00 O ATOM 0 H GLY A 228 0.344 -8.165 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.137 -9.695 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.546 -10.185 4.268 1.00 0.00 H new ATOM 610 N LEU A 229 0.700 -7.406 5.890 1.00 0.00 N ATOM 611 CA LEU A 229 0.880 -6.638 7.124 1.00 0.00 C ATOM 612 C LEU A 229 0.020 -7.195 8.262 1.00 0.00 C ATOM 613 O LEU A 229 0.549 -7.454 9.341 1.00 0.00 O ATOM 614 CB LEU A 229 0.544 -5.144 6.892 1.00 0.00 C ATOM 615 CG LEU A 229 1.763 -4.203 6.981 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.325 -2.788 6.573 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.414 -4.156 8.373 1.00 0.00 C ATOM 0 H LEU A 229 0.276 -6.862 5.138 1.00 0.00 H new ATOM 0 HA LEU A 229 1.927 -6.727 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.085 -5.034 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.197 -4.831 7.627 1.00 0.00 H new ATOM 0 HG LEU A 229 2.520 -4.600 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.178 -2.112 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.945 -2.805 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.541 -2.442 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.263 -3.473 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.684 -3.808 9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.756 -5.154 8.648 1.00 0.00 H new ATOM 746 N TRP A 237 6.126 3.822 6.485 1.00 0.00 N ATOM 747 CA TRP A 237 6.052 2.515 5.837 1.00 0.00 C ATOM 748 C TRP A 237 6.447 2.636 4.356 1.00 0.00 C ATOM 749 O TRP A 237 6.366 3.714 3.764 1.00 0.00 O ATOM 750 CB TRP A 237 4.645 1.929 6.017 1.00 0.00 C ATOM 751 CG TRP A 237 4.401 0.585 5.386 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.752 -0.616 5.900 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.816 0.288 4.082 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.435 -1.621 5.008 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.867 -1.118 3.856 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.297 1.082 3.040 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.426 -1.696 2.655 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.861 0.512 1.829 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.902 -0.878 1.646 1.00 0.00 C ATOM 0 HA TRP A 237 6.759 1.829 6.304 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.441 1.849 7.085 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.924 2.636 5.607 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.212 -0.766 6.865 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.600 -2.613 5.180 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.232 2.152 3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.490 -2.764 2.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.493 1.148 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.531 -1.316 0.731 1.00 0.00 H new ATOM 770 N PHE A 238 6.844 1.511 3.751 1.00 0.00 N ATOM 771 CA PHE A 238 7.217 1.426 2.344 1.00 0.00 C ATOM 772 C PHE A 238 6.649 0.142 1.740 1.00 0.00 C ATOM 773 O PHE A 238 6.694 -0.915 2.370 1.00 0.00 O ATOM 774 CB PHE A 238 8.747 1.432 2.202 1.00 0.00 C ATOM 775 CG PHE A 238 9.447 2.673 2.726 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.548 3.827 1.924 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.021 2.667 4.012 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.228 4.962 2.400 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.703 3.801 4.487 1.00 0.00 C ATOM 780 CZ PHE A 238 10.813 4.945 3.678 1.00 0.00 C ATOM 0 H PHE A 238 6.915 0.619 4.240 1.00 0.00 H new ATOM 0 HA PHE A 238 6.809 2.288 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.146 0.563 2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 238 8.997 1.313 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.102 3.840 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.937 1.789 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.301 5.846 1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.142 3.793 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.347 5.812 4.038 1.00 0.00 H new ATOM 790 N CYS A 239 6.149 0.229 0.498 1.00 0.00 N ATOM 791 CA CYS A 239 5.679 -0.923 -0.261 1.00 0.00 C ATOM 792 C CYS A 239 6.829 -1.888 -0.599 1.00 0.00 C ATOM 793 O CYS A 239 7.988 -1.481 -0.514 1.00 0.00 O ATOM 794 CB CYS A 239 4.908 -0.392 -1.470 1.00 0.00 C ATOM 795 SG CYS A 239 5.969 0.249 -2.789 1.00 0.00 S ATOM 0 H CYS A 239 6.062 1.112 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 239 4.998 -1.538 0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.287 -1.192 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.235 0.400 -1.141 1.00 0.00 H new ATOM 0 HG CYS A 239 5.235 0.605 -3.802 1.00 0.00 H new ATOM 801 N PRO A 240 6.546 -3.148 -0.992 1.00 0.00 N ATOM 802 CA PRO A 240 7.563 -4.158 -1.305 1.00 0.00 C ATOM 803 C PRO A 240 8.305 -3.901 -2.639 1.00 0.00 C ATOM 804 O PRO A 240 8.774 -4.842 -3.276 1.00 0.00 O ATOM 805 CB PRO A 240 6.815 -5.500 -1.253 1.00 0.00 C ATOM 806 CG PRO A 240 5.396 -5.131 -1.668 1.00 0.00 C ATOM 807 CD PRO A 240 5.217 -3.752 -1.042 1.00 0.00 C ATOM 0 HA PRO A 240 8.382 -4.136 -0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.254 -6.231 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.841 -5.936 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.285 -5.102 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.664 -5.846 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.535 -3.142 -1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.788 -3.831 -0.043 1.00 0.00 H new ATOM 815 N ARG A 241 8.427 -2.629 -3.054 1.00 0.00 N ATOM 816 CA ARG A 241 9.207 -2.182 -4.207 1.00 0.00 C ATOM 817 C ARG A 241 10.014 -0.926 -3.853 1.00 0.00 C ATOM 818 O ARG A 241 11.133 -0.765 -4.330 1.00 0.00 O ATOM 819 CB ARG A 241 8.291 -1.908 -5.413 1.00 0.00 C ATOM 820 CG ARG A 241 7.564 -3.166 -5.922 1.00 0.00 C ATOM 821 CD ARG A 241 6.707 -2.877 -7.161 1.00 0.00 C ATOM 822 NE ARG A 241 7.528 -2.521 -8.328 1.00 0.00 N ATOM 823 CZ ARG A 241 7.057 -2.149 -9.527 1.00 0.00 C ATOM 824 NH1 ARG A 241 5.747 -2.072 -9.777 1.00 0.00 N ATOM 825 NH2 ARG A 241 7.916 -1.849 -10.501 1.00 0.00 N ATOM 0 H ARG A 241 7.964 -1.858 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 241 9.901 -2.978 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.552 -1.156 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.885 -1.487 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.298 -3.936 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.931 -3.564 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 241 6.103 -3.753 -7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.016 -2.063 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 241 8.541 -2.560 -8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.074 -2.299 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.420 -1.786 -10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 241 8.920 -1.904 -10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.569 -1.565 -11.417 1.00 0.00 H new ATOM 839 N CYS A 242 9.469 -0.074 -2.976 1.00 0.00 N ATOM 840 CA CYS A 242 10.124 1.047 -2.346 1.00 0.00 C ATOM 841 C CYS A 242 11.094 0.593 -1.243 1.00 0.00 C ATOM 842 O CYS A 242 12.150 1.200 -1.075 1.00 0.00 O ATOM 843 CB CYS A 242 8.983 1.865 -1.750 1.00 0.00 C ATOM 844 SG CYS A 242 8.212 2.930 -3.003 1.00 0.00 S ATOM 0 H CYS A 242 8.498 -0.167 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 242 10.727 1.613 -3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.234 1.195 -1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.360 2.477 -0.931 1.00 0.00 H new ATOM 0 HG CYS A 242 7.067 2.426 -3.355 1.00 0.00 H new