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 217 CYS SG : rot 110:sc= 0.535 USER MOD Set 1.2: A 239 CYS SG : rot 171:sc= -1.81! USER MOD Set 2.1: A 212 CYS SG : rot 180:sc= 0.0658! USER MOD Set 2.2: A 242 CYS SG : rot 116:sc= 1.03 USER MOD Set 3.1: A 199 CYS SG : rot -160:sc= -1.03 USER MOD Set 3.2: A 201 CYS SG : rot 80:sc= 1.3 USER MOD Set 3.3: A 206 TYR OH : rot 175:sc= 0.171 USER MOD Set 3.4: A 223 HIS : no HD1:sc= -0.706 X(o=-0.19,f=-0.13) USER MOD Set 3.5: A 226 CYS SG : rot -32:sc= 0.0777 USER MOD Single : A 197 THR OG1 : rot -28:sc= 0.0618 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.22) USER MOD Single : A 203 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 171:sc= 0 (180deg=-0.0492) USER MOD Single : A 218 SER OG : rot -30:sc= 0.35 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -7.955 2.684 -8.799 1.00 0.00 N ATOM 149 CA THR A 197 -7.334 1.393 -8.492 1.00 0.00 C ATOM 150 C THR A 197 -5.808 1.553 -8.540 1.00 0.00 C ATOM 151 O THR A 197 -5.308 2.287 -9.397 1.00 0.00 O ATOM 152 CB THR A 197 -7.778 0.340 -9.526 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.435 0.718 -10.844 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.285 0.054 -9.498 1.00 0.00 C ATOM 0 HA THR A 197 -7.641 1.064 -7.499 1.00 0.00 H new ATOM 0 HB THR A 197 -7.243 -0.565 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.399 1.695 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.527 -0.696 -10.251 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.567 -0.317 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.834 0.972 -9.710 1.00 0.00 H new ATOM 162 N TYR A 198 -5.058 0.895 -7.631 1.00 0.00 N ATOM 163 CA TYR A 198 -3.605 1.124 -7.541 1.00 0.00 C ATOM 164 C TYR A 198 -2.809 -0.041 -6.936 1.00 0.00 C ATOM 165 O TYR A 198 -1.792 -0.407 -7.524 1.00 0.00 O ATOM 166 CB TYR A 198 -3.270 2.384 -6.726 1.00 0.00 C ATOM 167 CG TYR A 198 -4.101 3.639 -6.953 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.355 3.785 -6.328 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.604 4.681 -7.764 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.101 4.961 -6.489 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.356 5.854 -7.950 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.610 6.001 -7.310 1.00 0.00 C ATOM 173 OH TYR A 198 -6.342 7.139 -7.478 1.00 0.00 O ATOM 0 H TYR A 198 -5.426 0.216 -6.964 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.304 1.238 -8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.343 2.125 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.228 2.637 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.745 2.983 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.642 4.577 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.050 5.072 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.977 6.644 -8.582 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.861 7.753 -8.071 1.00 0.00 H new ATOM 183 N CYS A 199 -3.248 -0.619 -5.797 1.00 0.00 N ATOM 184 CA CYS A 199 -2.749 -1.859 -5.200 1.00 0.00 C ATOM 185 C CYS A 199 -2.401 -2.954 -6.206 1.00 0.00 C ATOM 186 O CYS A 199 -2.811 -2.956 -7.367 1.00 0.00 O ATOM 187 CB CYS A 199 -3.862 -2.456 -4.313 1.00 0.00 C ATOM 188 SG CYS A 199 -5.461 -2.329 -5.059 1.00 0.00 S ATOM 0 H CYS A 199 -4.000 -0.205 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.841 -1.580 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.640 -3.504 -4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.871 -1.943 -3.352 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.377 -2.449 -4.145 1.00 0.00 H new ATOM 193 N LEU A 200 -1.758 -3.986 -5.661 1.00 0.00 N ATOM 194 CA LEU A 200 -1.547 -5.243 -6.360 1.00 0.00 C ATOM 195 C LEU A 200 -2.876 -5.995 -6.502 1.00 0.00 C ATOM 196 O LEU A 200 -2.914 -7.018 -7.184 1.00 0.00 O ATOM 197 CB LEU A 200 -0.509 -6.116 -5.627 1.00 0.00 C ATOM 198 CG LEU A 200 0.673 -5.347 -5.004 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.574 -6.315 -4.226 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.512 -4.598 -6.050 1.00 0.00 C ATOM 0 H LEU A 200 -1.369 -3.969 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.158 -5.022 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.017 -6.671 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.114 -6.850 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 200 0.247 -4.601 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.407 -5.765 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.997 -6.791 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.959 -7.078 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.330 -4.075 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.919 -5.310 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.883 -3.876 -6.572 1.00 0.00 H new ATOM 212 N CYS A 201 -3.959 -5.494 -5.875 1.00 0.00 N ATOM 213 CA CYS A 201 -5.285 -6.032 -6.022 1.00 0.00 C ATOM 214 C CYS A 201 -6.101 -5.259 -7.069 1.00 0.00 C ATOM 215 O CYS A 201 -7.153 -5.743 -7.486 1.00 0.00 O ATOM 216 CB CYS A 201 -5.933 -5.903 -4.656 1.00 0.00 C ATOM 217 SG CYS A 201 -5.160 -6.983 -3.420 1.00 0.00 S ATOM 0 H CYS A 201 -3.914 -4.691 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.246 -7.065 -6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.867 -4.868 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.993 -6.146 -4.735 1.00 0.00 H new ATOM 0 HG CYS A 201 -4.061 -6.436 -2.992 1.00 0.00 H new ATOM 222 N HIS A 202 -5.614 -4.069 -7.463 1.00 0.00 N ATOM 223 CA HIS A 202 -6.265 -3.091 -8.336 1.00 0.00 C ATOM 224 C HIS A 202 -7.744 -2.851 -7.971 1.00 0.00 C ATOM 225 O HIS A 202 -8.627 -2.960 -8.819 1.00 0.00 O ATOM 226 CB HIS A 202 -5.974 -3.388 -9.820 1.00 0.00 C ATOM 227 CG HIS A 202 -6.406 -4.750 -10.311 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.679 -5.120 -10.681 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.607 -5.852 -10.458 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.641 -6.416 -11.035 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.398 -6.911 -10.918 1.00 0.00 N ATOM 0 H HIS A 202 -4.695 -3.749 -7.157 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.815 -2.115 -8.156 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.468 -2.629 -10.427 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -4.902 -3.284 -9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.547 -5.897 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.497 -6.984 -11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.093 -7.863 -11.122 1.00 0.00 H new ATOM 239 N GLN A 203 -7.997 -2.544 -6.687 1.00 0.00 N ATOM 240 CA GLN A 203 -9.312 -2.261 -6.116 1.00 0.00 C ATOM 241 C GLN A 203 -9.113 -1.718 -4.699 1.00 0.00 C ATOM 242 O GLN A 203 -8.265 -2.219 -3.971 1.00 0.00 O ATOM 243 CB GLN A 203 -10.203 -3.523 -6.091 1.00 0.00 C ATOM 244 CG GLN A 203 -9.671 -4.664 -5.208 1.00 0.00 C ATOM 245 CD GLN A 203 -10.384 -5.981 -5.492 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.371 -6.313 -4.843 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.887 -6.745 -6.465 1.00 0.00 N ATOM 0 H GLN A 203 -7.252 -2.485 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.822 -1.524 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.197 -3.243 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.316 -3.892 -7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.601 -4.786 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.799 -4.401 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.065 -6.438 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.329 -7.636 -6.690 1.00 0.00 H new ATOM 256 N VAL A 204 -9.913 -0.721 -4.311 1.00 0.00 N ATOM 257 CA VAL A 204 -9.890 -0.062 -2.987 1.00 0.00 C ATOM 258 C VAL A 204 -11.290 -0.111 -2.329 1.00 0.00 C ATOM 259 O VAL A 204 -12.249 -0.575 -2.946 1.00 0.00 O ATOM 260 CB VAL A 204 -9.283 1.374 -3.053 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.561 1.754 -1.735 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.278 1.551 -4.207 1.00 0.00 C ATOM 0 H VAL A 204 -10.624 -0.330 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.217 -0.623 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.137 2.030 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.152 2.761 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.271 1.720 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.752 1.049 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.891 2.570 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.453 0.849 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.777 1.359 -5.157 1.00 0.00 H new ATOM 272 N SER A 205 -11.394 0.343 -1.066 1.00 0.00 N ATOM 273 CA SER A 205 -12.589 0.297 -0.211 1.00 0.00 C ATOM 274 C SER A 205 -13.012 -1.136 0.175 1.00 0.00 C ATOM 275 O SER A 205 -14.097 -1.593 -0.185 1.00 0.00 O ATOM 276 CB SER A 205 -13.717 1.159 -0.806 1.00 0.00 C ATOM 277 OG SER A 205 -14.769 1.307 0.124 1.00 0.00 O ATOM 0 H SER A 205 -10.601 0.775 -0.591 1.00 0.00 H new ATOM 0 HA SER A 205 -12.330 0.747 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.327 2.139 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.093 0.697 -1.719 1.00 0.00 H new ATOM 0 HG SER A 205 -15.477 1.859 -0.269 1.00 0.00 H new ATOM 283 N TYR A 206 -12.127 -1.847 0.892 1.00 0.00 N ATOM 284 CA TYR A 206 -12.268 -3.249 1.296 1.00 0.00 C ATOM 285 C TYR A 206 -11.333 -3.523 2.487 1.00 0.00 C ATOM 286 O TYR A 206 -10.109 -3.501 2.352 1.00 0.00 O ATOM 287 CB TYR A 206 -12.010 -4.221 0.113 1.00 0.00 C ATOM 288 CG TYR A 206 -10.605 -4.282 -0.480 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.923 -3.098 -0.803 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.971 -5.521 -0.734 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.625 -3.135 -1.295 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.674 -5.565 -1.291 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.990 -4.357 -1.565 1.00 0.00 C ATOM 294 OH TYR A 206 -6.745 -4.304 -2.118 1.00 0.00 O ATOM 0 H TYR A 206 -11.253 -1.437 1.220 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.297 -3.429 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.275 -5.225 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.699 -3.958 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.414 -2.146 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.484 -6.442 -0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.097 -2.210 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.207 -6.515 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.377 -5.210 -2.183 1.00 0.00 H new ATOM 304 N GLY A 207 -11.930 -3.748 3.667 1.00 0.00 N ATOM 305 CA GLY A 207 -11.247 -3.867 4.944 1.00 0.00 C ATOM 306 C GLY A 207 -10.624 -2.533 5.341 1.00 0.00 C ATOM 307 O GLY A 207 -11.321 -1.576 5.676 1.00 0.00 O ATOM 0 H GLY A 207 -12.941 -3.855 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.951 -4.189 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.473 -4.632 4.880 1.00 0.00 H new ATOM 311 N GLU A 208 -9.293 -2.509 5.282 1.00 0.00 N ATOM 312 CA GLU A 208 -8.416 -1.426 5.695 1.00 0.00 C ATOM 313 C GLU A 208 -7.270 -1.226 4.689 1.00 0.00 C ATOM 314 O GLU A 208 -7.058 -2.048 3.797 1.00 0.00 O ATOM 315 CB GLU A 208 -7.929 -1.713 7.122 1.00 0.00 C ATOM 316 CG GLU A 208 -6.893 -2.836 7.271 1.00 0.00 C ATOM 317 CD GLU A 208 -7.465 -4.234 7.020 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.025 -4.801 7.983 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.341 -4.714 5.871 1.00 0.00 O ATOM 0 H GLU A 208 -8.767 -3.304 4.918 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.957 -0.480 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.502 -0.797 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.795 -1.962 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.073 -2.658 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.472 -2.800 8.276 1.00 0.00 H new ATOM 326 N MET A 209 -6.537 -0.115 4.834 1.00 0.00 N ATOM 327 CA MET A 209 -5.581 0.365 3.833 1.00 0.00 C ATOM 328 C MET A 209 -4.300 0.924 4.458 1.00 0.00 C ATOM 329 O MET A 209 -4.299 1.349 5.614 1.00 0.00 O ATOM 330 CB MET A 209 -6.269 1.461 2.991 1.00 0.00 C ATOM 331 CG MET A 209 -7.472 0.986 2.153 1.00 0.00 C ATOM 332 SD MET A 209 -9.106 0.978 2.945 1.00 0.00 S ATOM 333 CE MET A 209 -9.425 2.757 3.074 1.00 0.00 C ATOM 0 H MET A 209 -6.593 0.481 5.660 1.00 0.00 H new ATOM 0 HA MET A 209 -5.285 -0.482 3.214 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.603 2.254 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.530 1.899 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.533 1.617 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.262 -0.027 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.455 2.920 3.392 1.00 0.00 H new ATOM 0 HE2 MET A 209 -8.746 3.196 3.804 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.267 3.226 2.103 1.00 0.00 H new ATOM 343 N ILE A 210 -3.224 0.971 3.652 1.00 0.00 N ATOM 344 CA ILE A 210 -1.985 1.660 3.968 1.00 0.00 C ATOM 345 C ILE A 210 -1.594 2.479 2.730 1.00 0.00 C ATOM 346 O ILE A 210 -2.445 3.128 2.119 1.00 0.00 O ATOM 347 CB ILE A 210 -0.931 0.672 4.560 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.311 1.319 5.222 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.467 -0.479 3.649 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.013 2.362 6.296 1.00 0.00 C ATOM 0 H ILE A 210 -3.204 0.514 2.740 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.082 2.382 4.779 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.549 0.235 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.920 0.533 5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.916 1.790 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.263 -1.091 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.324 -1.094 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.011 -0.069 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.914 2.763 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.594 3.171 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.590 1.895 7.094 1.00 0.00 H new ATOM 362 N GLY A 211 -0.311 2.483 2.393 1.00 0.00 N ATOM 363 CA GLY A 211 0.309 3.340 1.411 1.00 0.00 C ATOM 364 C GLY A 211 1.721 3.717 1.808 1.00 0.00 C ATOM 365 O GLY A 211 1.979 4.073 2.958 1.00 0.00 O ATOM 0 H GLY A 211 0.358 1.848 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.325 2.835 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.288 4.244 1.288 1.00 0.00 H new ATOM 369 N CYS A 212 2.622 3.621 0.824 1.00 0.00 N ATOM 370 CA CYS A 212 4.029 3.965 0.995 1.00 0.00 C ATOM 371 C CYS A 212 4.133 5.457 1.325 1.00 0.00 C ATOM 372 O CYS A 212 3.626 6.294 0.579 1.00 0.00 O ATOM 373 CB CYS A 212 4.901 3.580 -0.218 1.00 0.00 C ATOM 374 SG CYS A 212 6.596 4.143 0.155 1.00 0.00 S ATOM 0 H CYS A 212 2.390 3.300 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 212 4.428 3.378 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.879 2.503 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.528 4.051 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 212 7.381 3.841 -0.836 1.00 0.00 H new ATOM 379 N ASP A 213 4.821 5.764 2.436 1.00 0.00 N ATOM 380 CA ASP A 213 5.077 7.115 2.925 1.00 0.00 C ATOM 381 C ASP A 213 5.944 7.964 1.968 1.00 0.00 C ATOM 382 O ASP A 213 6.159 9.143 2.251 1.00 0.00 O ATOM 383 CB ASP A 213 5.743 7.034 4.308 1.00 0.00 C ATOM 384 CG ASP A 213 4.857 6.465 5.424 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.377 5.319 5.279 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.728 7.165 6.452 1.00 0.00 O ATOM 0 H ASP A 213 5.227 5.046 3.036 1.00 0.00 H new ATOM 0 HA ASP A 213 4.113 7.620 2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.639 6.419 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.068 8.034 4.597 1.00 0.00 H new ATOM 391 N ASP A 214 6.447 7.396 0.859 1.00 0.00 N ATOM 392 CA ASP A 214 7.096 8.128 -0.220 1.00 0.00 C ATOM 393 C ASP A 214 6.031 8.925 -1.000 1.00 0.00 C ATOM 394 O ASP A 214 5.143 8.303 -1.587 1.00 0.00 O ATOM 395 CB ASP A 214 7.798 7.112 -1.137 1.00 0.00 C ATOM 396 CG ASP A 214 8.520 7.728 -2.335 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.919 8.909 -2.240 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.661 6.992 -3.336 1.00 0.00 O ATOM 0 H ASP A 214 6.408 6.390 0.693 1.00 0.00 H new ATOM 0 HA ASP A 214 7.833 8.829 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.519 6.547 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.058 6.400 -1.502 1.00 0.00 H new ATOM 403 N PRO A 215 6.107 10.271 -1.058 1.00 0.00 N ATOM 404 CA PRO A 215 5.182 11.096 -1.834 1.00 0.00 C ATOM 405 C PRO A 215 5.467 11.071 -3.348 1.00 0.00 C ATOM 406 O PRO A 215 4.784 11.759 -4.105 1.00 0.00 O ATOM 407 CB PRO A 215 5.333 12.505 -1.251 1.00 0.00 C ATOM 408 CG PRO A 215 6.810 12.546 -0.867 1.00 0.00 C ATOM 409 CD PRO A 215 7.075 11.123 -0.377 1.00 0.00 C ATOM 0 HA PRO A 215 4.163 10.719 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.082 13.275 -1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.685 12.659 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.441 12.805 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.005 13.284 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.095 10.815 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 215 6.959 11.056 0.705 1.00 0.00 H new ATOM 417 N ASP A 216 6.445 10.263 -3.781 1.00 0.00 N ATOM 418 CA ASP A 216 6.793 10.012 -5.175 1.00 0.00 C ATOM 419 C ASP A 216 6.526 8.539 -5.541 1.00 0.00 C ATOM 420 O ASP A 216 6.835 8.123 -6.657 1.00 0.00 O ATOM 421 CB ASP A 216 8.253 10.439 -5.403 1.00 0.00 C ATOM 422 CG ASP A 216 8.634 10.512 -6.884 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.992 11.312 -7.602 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.573 9.783 -7.274 1.00 0.00 O ATOM 0 H ASP A 216 7.039 9.745 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 216 6.165 10.604 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.416 11.414 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.914 9.735 -4.898 1.00 0.00 H new ATOM 429 N CYS A 217 5.921 7.755 -4.628 1.00 0.00 N ATOM 430 CA CYS A 217 5.449 6.410 -4.921 1.00 0.00 C ATOM 431 C CYS A 217 4.437 6.451 -6.074 1.00 0.00 C ATOM 432 O CYS A 217 3.457 7.196 -6.036 1.00 0.00 O ATOM 433 CB CYS A 217 4.809 5.828 -3.664 1.00 0.00 C ATOM 434 SG CYS A 217 4.247 4.128 -3.942 1.00 0.00 S ATOM 0 H CYS A 217 5.751 8.048 -3.666 1.00 0.00 H new ATOM 0 HA CYS A 217 6.285 5.779 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.528 5.847 -2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.965 6.448 -3.362 1.00 0.00 H new ATOM 0 HG CYS A 217 5.002 3.307 -3.275 1.00 0.00 H new ATOM 440 N SER A 218 4.687 5.610 -7.081 1.00 0.00 N ATOM 441 CA SER A 218 3.921 5.516 -8.327 1.00 0.00 C ATOM 442 C SER A 218 2.549 4.831 -8.154 1.00 0.00 C ATOM 443 O SER A 218 1.832 4.641 -9.138 1.00 0.00 O ATOM 444 CB SER A 218 4.782 4.767 -9.355 1.00 0.00 C ATOM 445 OG SER A 218 4.240 4.878 -10.654 1.00 0.00 O ATOM 0 H SER A 218 5.462 4.948 -7.049 1.00 0.00 H new ATOM 0 HA SER A 218 3.695 6.526 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 218 5.795 5.168 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.853 3.716 -9.077 1.00 0.00 H new ATOM 0 HG SER A 218 3.266 4.966 -10.596 1.00 0.00 H new ATOM 451 N ILE A 219 2.198 4.441 -6.921 1.00 0.00 N ATOM 452 CA ILE A 219 1.045 3.607 -6.582 1.00 0.00 C ATOM 453 C ILE A 219 0.292 4.207 -5.378 1.00 0.00 C ATOM 454 O ILE A 219 -0.935 4.163 -5.341 1.00 0.00 O ATOM 455 CB ILE A 219 1.558 2.178 -6.286 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.300 1.490 -7.456 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.421 1.283 -5.787 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.434 1.163 -8.678 1.00 0.00 C ATOM 0 H ILE A 219 2.737 4.712 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 219 0.338 3.567 -7.411 1.00 0.00 H new ATOM 0 HB ILE A 219 2.306 2.311 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 219 3.120 2.134 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.745 0.565 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.806 0.283 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.003 1.702 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.357 1.225 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 219 2.047 0.684 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.629 0.490 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.009 2.083 -9.080 1.00 0.00 H new ATOM 470 N GLU A 220 1.036 4.809 -4.438 1.00 0.00 N ATOM 471 CA GLU A 220 0.580 5.635 -3.312 1.00 0.00 C ATOM 472 C GLU A 220 -0.075 4.860 -2.153 1.00 0.00 C ATOM 473 O GLU A 220 0.193 5.195 -1.003 1.00 0.00 O ATOM 474 CB GLU A 220 -0.238 6.849 -3.830 1.00 0.00 C ATOM 475 CG GLU A 220 -1.693 6.995 -3.347 1.00 0.00 C ATOM 476 CD GLU A 220 -1.822 7.470 -1.894 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.157 8.473 -1.551 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.603 6.838 -1.150 1.00 0.00 O ATOM 0 H GLU A 220 2.052 4.723 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 220 1.473 6.030 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.299 7.757 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.250 6.804 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.212 7.700 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.198 6.035 -3.451 1.00 0.00 H new ATOM 485 N TRP A 221 -0.869 3.819 -2.437 1.00 0.00 N ATOM 486 CA TRP A 221 -1.653 3.048 -1.471 1.00 0.00 C ATOM 487 C TRP A 221 -1.501 1.556 -1.777 1.00 0.00 C ATOM 488 O TRP A 221 -1.358 1.142 -2.927 1.00 0.00 O ATOM 489 CB TRP A 221 -3.115 3.513 -1.469 1.00 0.00 C ATOM 490 CG TRP A 221 -4.061 2.554 -2.061 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.439 2.523 -3.345 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.637 1.392 -1.423 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.160 1.371 -3.571 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.299 0.624 -2.416 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.592 0.890 -0.110 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.902 -0.604 -2.109 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.206 -0.331 0.195 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.840 -1.088 -0.794 1.00 0.00 C ATOM 0 H TRP A 221 -0.986 3.478 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.279 3.218 -0.461 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.417 3.715 -0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.184 4.455 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.215 3.278 -4.084 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.543 1.103 -4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.084 1.447 0.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.408 -1.171 -2.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.189 -0.694 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.281 -2.042 -0.547 1.00 0.00 H new ATOM 509 N PHE A 222 -1.572 0.746 -0.720 1.00 0.00 N ATOM 510 CA PHE A 222 -1.407 -0.701 -0.778 1.00 0.00 C ATOM 511 C PHE A 222 -2.255 -1.312 0.315 1.00 0.00 C ATOM 512 O PHE A 222 -2.444 -0.727 1.378 1.00 0.00 O ATOM 513 CB PHE A 222 0.051 -1.103 -0.527 1.00 0.00 C ATOM 514 CG PHE A 222 1.005 -0.648 -1.602 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.507 0.664 -1.564 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.350 -1.508 -2.661 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.316 1.138 -2.601 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.198 -1.048 -3.681 1.00 0.00 C ATOM 519 CZ PHE A 222 2.672 0.274 -3.647 1.00 0.00 C ATOM 0 H PHE A 222 -1.751 1.090 0.223 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.703 -1.050 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.372 -0.689 0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.108 -2.188 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.267 1.308 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.965 -2.516 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.664 2.160 -2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.484 -1.707 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.318 0.629 -4.436 1.00 0.00 H new ATOM 529 N HIS A 223 -2.754 -2.511 0.040 1.00 0.00 N ATOM 530 CA HIS A 223 -3.546 -3.264 0.991 1.00 0.00 C ATOM 531 C HIS A 223 -2.677 -3.810 2.129 1.00 0.00 C ATOM 532 O HIS A 223 -1.500 -4.122 1.949 1.00 0.00 O ATOM 533 CB HIS A 223 -4.223 -4.367 0.182 1.00 0.00 C ATOM 534 CG HIS A 223 -5.384 -5.086 0.798 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.768 -6.368 0.414 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.281 -4.586 1.695 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.867 -6.632 1.142 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.202 -5.580 1.910 1.00 0.00 N ATOM 0 H HIS A 223 -2.618 -2.985 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.292 -2.642 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.562 -3.930 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.465 -5.110 -0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.269 -3.605 2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.409 -7.566 1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.001 -5.530 2.542 1.00 0.00 H new ATOM 546 N PHE A 224 -3.304 -3.963 3.296 1.00 0.00 N ATOM 547 CA PHE A 224 -2.795 -4.705 4.455 1.00 0.00 C ATOM 548 C PHE A 224 -2.507 -6.188 4.143 1.00 0.00 C ATOM 549 O PHE A 224 -1.968 -6.879 5.004 1.00 0.00 O ATOM 550 CB PHE A 224 -3.815 -4.606 5.606 1.00 0.00 C ATOM 551 CG PHE A 224 -3.551 -3.562 6.677 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.172 -2.245 6.343 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.795 -3.891 8.026 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.040 -1.274 7.353 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.684 -2.914 9.028 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.302 -1.605 8.692 1.00 0.00 C ATOM 0 H PHE A 224 -4.223 -3.555 3.469 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.845 -4.253 4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.795 -4.406 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.874 -5.581 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.983 -1.982 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -4.069 -4.902 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.736 -0.270 7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.892 -3.169 10.057 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.210 -0.854 9.463 1.00 0.00 H new ATOM 566 N ALA A 225 -2.821 -6.674 2.931 1.00 0.00 N ATOM 567 CA ALA A 225 -2.446 -7.985 2.431 1.00 0.00 C ATOM 568 C ALA A 225 -1.646 -7.912 1.118 1.00 0.00 C ATOM 569 O ALA A 225 -1.166 -8.947 0.657 1.00 0.00 O ATOM 570 CB ALA A 225 -3.693 -8.869 2.310 1.00 0.00 C ATOM 0 H ALA A 225 -3.364 -6.136 2.255 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.769 -8.443 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.407 -9.852 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.159 -8.976 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.400 -8.408 1.620 1.00 0.00 H new ATOM 576 N CYS A 226 -1.444 -6.713 0.540 1.00 0.00 N ATOM 577 CA CYS A 226 -0.489 -6.490 -0.546 1.00 0.00 C ATOM 578 C CYS A 226 0.969 -6.533 -0.040 1.00 0.00 C ATOM 579 O CYS A 226 1.893 -6.497 -0.851 1.00 0.00 O ATOM 580 CB CYS A 226 -0.784 -5.164 -1.230 1.00 0.00 C ATOM 581 SG CYS A 226 -2.140 -5.313 -2.426 1.00 0.00 S ATOM 0 H CYS A 226 -1.946 -5.870 0.820 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.603 -7.297 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.041 -4.417 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.113 -4.809 -1.739 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.128 -6.503 -2.950 1.00 0.00 H new ATOM 587 N VAL A 227 1.168 -6.631 1.285 1.00 0.00 N ATOM 588 CA VAL A 227 2.455 -6.830 1.953 1.00 0.00 C ATOM 589 C VAL A 227 2.369 -7.918 3.047 1.00 0.00 C ATOM 590 O VAL A 227 3.382 -8.282 3.641 1.00 0.00 O ATOM 591 CB VAL A 227 2.958 -5.469 2.479 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.077 -4.960 3.630 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.437 -5.507 2.901 1.00 0.00 C ATOM 0 H VAL A 227 0.395 -6.570 1.947 1.00 0.00 H new ATOM 0 HA VAL A 227 3.188 -7.208 1.240 1.00 0.00 H new ATOM 0 HB VAL A 227 2.883 -4.768 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.455 -4.000 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.052 -4.840 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.098 -5.679 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.738 -4.524 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.570 -6.242 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.053 -5.782 2.045 1.00 0.00 H new ATOM 603 N GLY A 228 1.163 -8.445 3.305 1.00 0.00 N ATOM 604 CA GLY A 228 0.885 -9.407 4.368 1.00 0.00 C ATOM 605 C GLY A 228 1.009 -8.804 5.774 1.00 0.00 C ATOM 606 O GLY A 228 1.440 -9.502 6.691 1.00 0.00 O ATOM 0 H GLY A 228 0.334 -8.203 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.122 -9.803 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.573 -10.248 4.278 1.00 0.00 H new ATOM 610 N LEU A 229 0.683 -7.510 5.933 1.00 0.00 N ATOM 611 CA LEU A 229 0.846 -6.764 7.182 1.00 0.00 C ATOM 612 C LEU A 229 -0.082 -7.281 8.286 1.00 0.00 C ATOM 613 O LEU A 229 0.389 -7.541 9.392 1.00 0.00 O ATOM 614 CB LEU A 229 0.570 -5.258 6.947 1.00 0.00 C ATOM 615 CG LEU A 229 1.815 -4.362 7.101 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.439 -2.928 6.701 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.393 -4.363 8.525 1.00 0.00 C ATOM 0 H LEU A 229 0.291 -6.946 5.178 1.00 0.00 H new ATOM 0 HA LEU A 229 1.876 -6.908 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.161 -5.126 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.194 -4.925 7.649 1.00 0.00 H new ATOM 0 HG LEU A 229 2.591 -4.766 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.310 -2.281 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.099 -2.916 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.640 -2.567 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.267 -3.713 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.639 -4.000 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.683 -5.377 8.799 1.00 0.00 H new ATOM 746 N TRP A 237 6.531 3.605 6.562 1.00 0.00 N ATOM 747 CA TRP A 237 6.322 2.332 5.875 1.00 0.00 C ATOM 748 C TRP A 237 6.642 2.509 4.384 1.00 0.00 C ATOM 749 O TRP A 237 6.503 3.602 3.832 1.00 0.00 O ATOM 750 CB TRP A 237 4.894 1.820 6.097 1.00 0.00 C ATOM 751 CG TRP A 237 4.576 0.495 5.456 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.830 -0.726 5.980 1.00 0.00 C ATOM 753 CD2 TRP A 237 4.007 0.233 4.135 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.467 -1.712 5.081 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.962 -1.175 3.915 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.571 1.055 3.079 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.498 -1.728 2.709 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.125 0.513 1.859 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.062 -0.877 1.685 1.00 0.00 C ATOM 0 HA TRP A 237 6.993 1.578 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.719 1.737 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.196 2.565 5.717 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.254 -0.905 6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.561 -2.712 5.258 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.579 2.127 3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.478 -2.799 2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.830 1.170 1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.678 -1.290 0.764 1.00 0.00 H new ATOM 770 N PHE A 238 7.052 1.417 3.728 1.00 0.00 N ATOM 771 CA PHE A 238 7.372 1.397 2.307 1.00 0.00 C ATOM 772 C PHE A 238 6.859 0.096 1.686 1.00 0.00 C ATOM 773 O PHE A 238 6.959 -0.970 2.295 1.00 0.00 O ATOM 774 CB PHE A 238 8.890 1.530 2.096 1.00 0.00 C ATOM 775 CG PHE A 238 9.526 2.812 2.608 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.979 2.891 3.939 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.697 3.917 1.751 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.583 4.070 4.413 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.292 5.099 2.227 1.00 0.00 C ATOM 780 CZ PHE A 238 10.736 5.175 3.559 1.00 0.00 C ATOM 0 H PHE A 238 7.171 0.511 4.182 1.00 0.00 H new ATOM 0 HA PHE A 238 6.885 2.242 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.379 0.686 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.097 1.447 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.862 2.044 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.370 3.856 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.929 4.126 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 238 10.408 5.948 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.194 6.082 3.925 1.00 0.00 H new ATOM 790 N CYS A 239 6.325 0.189 0.461 1.00 0.00 N ATOM 791 CA CYS A 239 5.781 -0.939 -0.280 1.00 0.00 C ATOM 792 C CYS A 239 6.882 -1.911 -0.752 1.00 0.00 C ATOM 793 O CYS A 239 8.059 -1.550 -0.694 1.00 0.00 O ATOM 794 CB CYS A 239 4.912 -0.346 -1.392 1.00 0.00 C ATOM 795 SG CYS A 239 5.865 0.191 -2.834 1.00 0.00 S ATOM 0 H CYS A 239 6.261 1.072 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 239 5.158 -1.577 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.178 -1.089 -1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.356 0.504 -0.995 1.00 0.00 H new ATOM 0 HG CYS A 239 5.052 0.508 -3.798 1.00 0.00 H new ATOM 801 N PRO A 240 6.548 -3.131 -1.226 1.00 0.00 N ATOM 802 CA PRO A 240 7.535 -4.141 -1.630 1.00 0.00 C ATOM 803 C PRO A 240 8.316 -3.792 -2.916 1.00 0.00 C ATOM 804 O PRO A 240 9.060 -4.633 -3.420 1.00 0.00 O ATOM 805 CB PRO A 240 6.749 -5.454 -1.745 1.00 0.00 C ATOM 806 CG PRO A 240 5.335 -4.998 -2.085 1.00 0.00 C ATOM 807 CD PRO A 240 5.203 -3.691 -1.308 1.00 0.00 C ATOM 0 HA PRO A 240 8.331 -4.209 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.159 -6.100 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.775 -6.019 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.206 -4.846 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.589 -5.730 -1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.525 -3.004 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.794 -3.869 -0.314 1.00 0.00 H new ATOM 815 N ARG A 241 8.177 -2.557 -3.429 1.00 0.00 N ATOM 816 CA ARG A 241 8.889 -2.018 -4.586 1.00 0.00 C ATOM 817 C ARG A 241 9.443 -0.610 -4.302 1.00 0.00 C ATOM 818 O ARG A 241 9.586 0.211 -5.208 1.00 0.00 O ATOM 819 CB ARG A 241 7.969 -2.030 -5.826 1.00 0.00 C ATOM 820 CG ARG A 241 7.353 -3.396 -6.162 1.00 0.00 C ATOM 821 CD ARG A 241 6.460 -3.273 -7.401 1.00 0.00 C ATOM 822 NE ARG A 241 5.768 -4.537 -7.693 1.00 0.00 N ATOM 823 CZ ARG A 241 4.714 -4.678 -8.512 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.184 -3.638 -9.162 1.00 0.00 N ATOM 825 NH2 ARG A 241 4.176 -5.885 -8.684 1.00 0.00 N ATOM 0 H ARG A 241 7.532 -1.879 -3.023 1.00 0.00 H new ATOM 0 HA ARG A 241 9.748 -2.657 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.163 -1.313 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.540 -1.684 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.142 -4.126 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.769 -3.760 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.726 -2.483 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.065 -2.981 -8.259 1.00 0.00 H new ATOM 0 HE ARG A 241 6.119 -5.378 -7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.581 -2.706 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 241 3.383 -3.776 -9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.565 -6.691 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 241 3.375 -6.003 -9.304 1.00 0.00 H new ATOM 839 N CYS A 242 9.713 -0.324 -3.023 1.00 0.00 N ATOM 840 CA CYS A 242 10.125 0.974 -2.501 1.00 0.00 C ATOM 841 C CYS A 242 10.977 0.806 -1.234 1.00 0.00 C ATOM 842 O CYS A 242 11.903 1.580 -1.004 1.00 0.00 O ATOM 843 CB CYS A 242 8.837 1.747 -2.202 1.00 0.00 C ATOM 844 SG CYS A 242 9.050 3.539 -2.252 1.00 0.00 S ATOM 0 H CYS A 242 9.645 -1.031 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 242 10.743 1.511 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.073 1.459 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 242 8.469 1.459 -1.217 1.00 0.00 H new ATOM 0 HG CYS A 242 8.338 4.034 -3.221 1.00 0.00 H new