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 179:sc= -0.13 USER MOD Set 1.2: A 239 CYS SG : rot 178:sc= 0.395 USER MOD Set 1.3: A 242 CYS SG : rot 101:sc= 1.21 USER MOD Set 2.1: A 199 CYS SG : rot -164:sc= -0.912 USER MOD Set 2.2: A 201 CYS SG : rot 80:sc= 1.53 USER MOD Set 2.3: A 206 TYR OH : rot -178:sc= 0.231 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.88 X(o=0.14,f=0.31) USER MOD Set 2.5: A 226 CYS SG : rot 130:sc= 0.167 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.25) USER MOD Single : A 203 GLN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 175:sc= 0 (180deg=-0.0207) USER MOD Single : A 217 CYS SG : rot 120:sc= 0.726 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.521 2.678 -8.554 1.00 0.00 N ATOM 149 CA THR A 197 -7.768 1.484 -8.150 1.00 0.00 C ATOM 150 C THR A 197 -6.245 1.615 -8.340 1.00 0.00 C ATOM 151 O THR A 197 -5.789 2.352 -9.216 1.00 0.00 O ATOM 152 CB THR A 197 -8.361 0.199 -8.745 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.835 -0.121 -10.013 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.895 0.166 -8.803 1.00 0.00 C ATOM 0 HA THR A 197 -7.891 1.400 -7.070 1.00 0.00 H new ATOM 0 HB THR A 197 -8.050 -0.564 -8.032 1.00 0.00 H new ATOM 0 HG1 THR A 197 -8.248 -0.947 -10.339 1.00 0.00 H new ATOM 0 HG21 THR A 197 -10.222 -0.779 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 197 -10.299 0.262 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.254 0.992 -9.418 1.00 0.00 H new ATOM 162 N TYR A 198 -5.440 0.940 -7.491 1.00 0.00 N ATOM 163 CA TYR A 198 -3.993 1.210 -7.463 1.00 0.00 C ATOM 164 C TYR A 198 -3.138 0.066 -6.898 1.00 0.00 C ATOM 165 O TYR A 198 -2.091 -0.214 -7.482 1.00 0.00 O ATOM 166 CB TYR A 198 -3.660 2.459 -6.631 1.00 0.00 C ATOM 167 CG TYR A 198 -4.507 3.722 -6.748 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.788 3.793 -6.158 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.959 4.875 -7.344 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.507 5.000 -6.146 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.665 6.089 -7.331 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.938 6.160 -6.720 1.00 0.00 C ATOM 173 OH TYR A 198 -6.619 7.340 -6.694 1.00 0.00 O ATOM 0 H TYR A 198 -5.758 0.226 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.745 1.347 -8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.674 2.159 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.634 2.738 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -6.220 2.910 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.988 4.825 -7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.490 5.042 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.235 6.968 -7.788 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.085 8.036 -7.131 1.00 0.00 H new ATOM 183 N CYS A 199 -3.552 -0.576 -5.786 1.00 0.00 N ATOM 184 CA CYS A 199 -2.989 -1.809 -5.236 1.00 0.00 C ATOM 185 C CYS A 199 -2.603 -2.848 -6.285 1.00 0.00 C ATOM 186 O CYS A 199 -3.026 -2.827 -7.442 1.00 0.00 O ATOM 187 CB CYS A 199 -4.067 -2.491 -4.369 1.00 0.00 C ATOM 188 SG CYS A 199 -5.666 -2.449 -5.121 1.00 0.00 S ATOM 0 H CYS A 199 -4.328 -0.224 -5.225 1.00 0.00 H new ATOM 0 HA CYS A 199 -2.092 -1.507 -4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.781 -3.527 -4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.113 -1.999 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.572 -2.723 -4.230 1.00 0.00 H new ATOM 193 N LEU A 200 -1.907 -3.869 -5.785 1.00 0.00 N ATOM 194 CA LEU A 200 -1.649 -5.090 -6.527 1.00 0.00 C ATOM 195 C LEU A 200 -2.941 -5.903 -6.671 1.00 0.00 C ATOM 196 O LEU A 200 -2.939 -6.906 -7.382 1.00 0.00 O ATOM 197 CB LEU A 200 -0.562 -5.937 -5.834 1.00 0.00 C ATOM 198 CG LEU A 200 0.582 -5.140 -5.177 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.529 -6.094 -4.441 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.381 -4.309 -6.194 1.00 0.00 C ATOM 0 H LEU A 200 -1.506 -3.866 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.288 -4.817 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.038 -6.553 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.132 -6.617 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 200 0.124 -4.446 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.335 -5.523 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.977 -6.631 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.950 -6.807 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.174 -3.768 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.820 -4.971 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.717 -3.598 -6.685 1.00 0.00 H new ATOM 212 N CYS A 201 -4.037 -5.477 -6.011 1.00 0.00 N ATOM 213 CA CYS A 201 -5.333 -6.088 -6.147 1.00 0.00 C ATOM 214 C CYS A 201 -6.206 -5.348 -7.168 1.00 0.00 C ATOM 215 O CYS A 201 -7.239 -5.883 -7.568 1.00 0.00 O ATOM 216 CB CYS A 201 -5.970 -6.024 -4.773 1.00 0.00 C ATOM 217 SG CYS A 201 -5.150 -7.121 -3.584 1.00 0.00 S ATOM 0 H CYS A 201 -4.025 -4.687 -5.365 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.237 -7.112 -6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.932 -4.999 -4.405 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -7.023 -6.296 -4.850 1.00 0.00 H new ATOM 0 HG CYS A 201 -4.060 -6.558 -3.154 1.00 0.00 H new ATOM 222 N HIS A 202 -5.790 -4.130 -7.560 1.00 0.00 N ATOM 223 CA HIS A 202 -6.512 -3.193 -8.421 1.00 0.00 C ATOM 224 C HIS A 202 -7.990 -3.035 -8.016 1.00 0.00 C ATOM 225 O HIS A 202 -8.889 -3.173 -8.847 1.00 0.00 O ATOM 226 CB HIS A 202 -6.242 -3.486 -9.910 1.00 0.00 C ATOM 227 CG HIS A 202 -6.618 -4.868 -10.387 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.882 -5.308 -10.709 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.768 -5.929 -10.560 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.789 -6.602 -11.059 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.518 -7.029 -10.986 1.00 0.00 N ATOM 0 H HIS A 202 -4.888 -3.758 -7.264 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.112 -2.191 -8.263 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.786 -2.755 -10.509 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.181 -3.331 -10.104 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.701 -5.917 -10.395 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.625 -7.217 -11.359 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.171 -7.964 -11.198 1.00 0.00 H new ATOM 239 N GLN A 203 -8.226 -2.734 -6.725 1.00 0.00 N ATOM 240 CA GLN A 203 -9.539 -2.496 -6.123 1.00 0.00 C ATOM 241 C GLN A 203 -9.322 -1.983 -4.697 1.00 0.00 C ATOM 242 O GLN A 203 -8.447 -2.491 -4.006 1.00 0.00 O ATOM 243 CB GLN A 203 -10.399 -3.778 -6.110 1.00 0.00 C ATOM 244 CG GLN A 203 -9.813 -4.936 -5.284 1.00 0.00 C ATOM 245 CD GLN A 203 -10.496 -6.261 -5.610 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.496 -6.621 -4.997 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.959 -6.999 -6.582 1.00 0.00 N ATOM 0 H GLN A 203 -7.468 -2.648 -6.048 1.00 0.00 H new ATOM 0 HA GLN A 203 -10.079 -1.758 -6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.386 -3.533 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.539 -4.116 -7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.744 -5.019 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.926 -4.720 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.127 -6.670 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.380 -7.893 -6.836 1.00 0.00 H new ATOM 256 N VAL A 204 -10.125 -1.009 -4.258 1.00 0.00 N ATOM 257 CA VAL A 204 -10.054 -0.372 -2.923 1.00 0.00 C ATOM 258 C VAL A 204 -11.393 -0.512 -2.166 1.00 0.00 C ATOM 259 O VAL A 204 -12.387 -0.963 -2.737 1.00 0.00 O ATOM 260 CB VAL A 204 -9.556 1.103 -2.997 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.831 1.528 -1.694 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.621 1.356 -4.194 1.00 0.00 C ATOM 0 H VAL A 204 -10.871 -0.623 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.303 -0.909 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.454 1.707 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.498 2.562 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.516 1.439 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.968 0.882 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.306 2.399 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.745 0.712 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.150 1.136 -5.121 1.00 0.00 H new ATOM 272 N SER A 205 -11.402 -0.137 -0.873 1.00 0.00 N ATOM 273 CA SER A 205 -12.539 -0.194 0.056 1.00 0.00 C ATOM 274 C SER A 205 -12.980 -1.632 0.397 1.00 0.00 C ATOM 275 O SER A 205 -14.083 -2.055 0.054 1.00 0.00 O ATOM 276 CB SER A 205 -13.685 0.719 -0.413 1.00 0.00 C ATOM 277 OG SER A 205 -13.247 2.061 -0.490 1.00 0.00 O ATOM 0 H SER A 205 -10.565 0.236 -0.425 1.00 0.00 H new ATOM 0 HA SER A 205 -12.196 0.206 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 205 -14.044 0.391 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.525 0.643 0.278 1.00 0.00 H new ATOM 0 HG SER A 205 -13.986 2.630 -0.791 1.00 0.00 H new ATOM 283 N TYR A 206 -12.083 -2.382 1.059 1.00 0.00 N ATOM 284 CA TYR A 206 -12.226 -3.792 1.431 1.00 0.00 C ATOM 285 C TYR A 206 -11.234 -4.087 2.568 1.00 0.00 C ATOM 286 O TYR A 206 -10.017 -4.029 2.377 1.00 0.00 O ATOM 287 CB TYR A 206 -12.020 -4.740 0.218 1.00 0.00 C ATOM 288 CG TYR A 206 -10.641 -4.761 -0.438 1.00 0.00 C ATOM 289 CD1 TYR A 206 -10.054 -3.556 -0.850 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.933 -5.967 -0.645 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.763 -3.528 -1.360 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.653 -5.953 -1.243 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.055 -4.717 -1.587 1.00 0.00 C ATOM 294 OH TYR A 206 -6.826 -4.603 -2.167 1.00 0.00 O ATOM 0 H TYR A 206 -11.190 -1.995 1.364 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.244 -3.978 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.254 -5.754 0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.751 -4.472 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.614 -2.636 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.374 -6.906 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.298 -2.579 -1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.134 -6.880 -1.437 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.444 -5.495 -2.303 1.00 0.00 H new ATOM 304 N GLY A 207 -11.765 -4.362 3.767 1.00 0.00 N ATOM 305 CA GLY A 207 -11.012 -4.478 4.998 1.00 0.00 C ATOM 306 C GLY A 207 -10.459 -3.115 5.398 1.00 0.00 C ATOM 307 O GLY A 207 -11.195 -2.137 5.539 1.00 0.00 O ATOM 0 H GLY A 207 -12.765 -4.513 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.651 -4.868 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.195 -5.188 4.869 1.00 0.00 H new ATOM 311 N GLU A 208 -9.139 -3.092 5.543 1.00 0.00 N ATOM 312 CA GLU A 208 -8.317 -1.946 5.905 1.00 0.00 C ATOM 313 C GLU A 208 -7.270 -1.655 4.819 1.00 0.00 C ATOM 314 O GLU A 208 -7.053 -2.458 3.912 1.00 0.00 O ATOM 315 CB GLU A 208 -7.703 -2.174 7.298 1.00 0.00 C ATOM 316 CG GLU A 208 -6.572 -3.212 7.376 1.00 0.00 C ATOM 317 CD GLU A 208 -7.058 -4.652 7.204 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.477 -5.237 8.227 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.013 -5.145 6.055 1.00 0.00 O ATOM 0 H GLU A 208 -8.578 -3.932 5.401 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.936 -1.051 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.320 -1.221 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.498 -2.481 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.832 -2.991 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.068 -3.119 8.338 1.00 0.00 H new ATOM 326 N MET A 209 -6.633 -0.482 4.915 1.00 0.00 N ATOM 327 CA MET A 209 -5.780 0.078 3.867 1.00 0.00 C ATOM 328 C MET A 209 -4.515 0.701 4.457 1.00 0.00 C ATOM 329 O MET A 209 -4.500 1.117 5.616 1.00 0.00 O ATOM 330 CB MET A 209 -6.584 1.134 3.078 1.00 0.00 C ATOM 331 CG MET A 209 -7.774 0.567 2.279 1.00 0.00 C ATOM 332 SD MET A 209 -9.366 0.404 3.139 1.00 0.00 S ATOM 333 CE MET A 209 -9.851 2.146 3.261 1.00 0.00 C ATOM 0 H MET A 209 -6.699 0.114 5.740 1.00 0.00 H new ATOM 0 HA MET A 209 -5.467 -0.724 3.198 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.956 1.885 3.775 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.911 1.645 2.389 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.927 1.204 1.408 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.490 -0.418 1.908 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.852 2.216 3.687 1.00 0.00 H new ATOM 0 HE2 MET A 209 -9.146 2.676 3.902 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.847 2.595 2.268 1.00 0.00 H new ATOM 343 N ILE A 210 -3.463 0.791 3.628 1.00 0.00 N ATOM 344 CA ILE A 210 -2.216 1.460 3.944 1.00 0.00 C ATOM 345 C ILE A 210 -1.844 2.315 2.726 1.00 0.00 C ATOM 346 O ILE A 210 -2.704 2.975 2.144 1.00 0.00 O ATOM 347 CB ILE A 210 -1.176 0.438 4.491 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.056 1.126 5.115 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.751 -0.710 3.558 1.00 0.00 C ATOM 350 CD1 ILE A 210 0.742 0.313 6.213 1.00 0.00 C ATOM 0 H ILE A 210 -3.469 0.384 2.693 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.279 2.164 4.774 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.749 -0.064 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.780 1.333 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -0.250 2.087 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.025 -1.343 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.625 -1.304 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.302 -0.297 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.597 0.869 6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.037 0.127 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 210 1.082 -0.638 5.803 1.00 0.00 H new ATOM 362 N GLY A 211 -0.564 2.342 2.380 1.00 0.00 N ATOM 363 CA GLY A 211 0.021 3.240 1.413 1.00 0.00 C ATOM 364 C GLY A 211 1.456 3.600 1.744 1.00 0.00 C ATOM 365 O GLY A 211 1.776 3.947 2.880 1.00 0.00 O ATOM 0 H GLY A 211 0.120 1.706 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 211 -0.015 2.779 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.575 4.151 1.361 1.00 0.00 H new ATOM 369 N CYS A 212 2.301 3.511 0.711 1.00 0.00 N ATOM 370 CA CYS A 212 3.715 3.859 0.794 1.00 0.00 C ATOM 371 C CYS A 212 3.828 5.363 1.045 1.00 0.00 C ATOM 372 O CYS A 212 3.330 6.166 0.256 1.00 0.00 O ATOM 373 CB CYS A 212 4.507 3.430 -0.454 1.00 0.00 C ATOM 374 SG CYS A 212 6.256 3.885 -0.217 1.00 0.00 S ATOM 0 H CYS A 212 2.015 3.191 -0.214 1.00 0.00 H new ATOM 0 HA CYS A 212 4.163 3.310 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.413 2.355 -0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.106 3.918 -1.343 1.00 0.00 H new ATOM 0 HG CYS A 212 6.946 3.509 -1.252 1.00 0.00 H new ATOM 379 N ASP A 213 4.508 5.715 2.144 1.00 0.00 N ATOM 380 CA ASP A 213 4.746 7.085 2.592 1.00 0.00 C ATOM 381 C ASP A 213 5.644 7.898 1.638 1.00 0.00 C ATOM 382 O ASP A 213 5.870 9.079 1.898 1.00 0.00 O ATOM 383 CB ASP A 213 5.343 7.037 4.007 1.00 0.00 C ATOM 384 CG ASP A 213 4.339 6.557 5.060 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.093 5.333 5.109 1.00 0.00 O ATOM 386 OD2 ASP A 213 3.859 7.421 5.825 1.00 0.00 O ATOM 0 H ASP A 213 4.922 5.022 2.767 1.00 0.00 H new ATOM 0 HA ASP A 213 3.790 7.608 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.209 6.375 4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.701 8.030 4.279 1.00 0.00 H new ATOM 391 N ASP A 214 6.149 7.296 0.548 1.00 0.00 N ATOM 392 CA ASP A 214 6.808 7.996 -0.544 1.00 0.00 C ATOM 393 C ASP A 214 5.759 8.863 -1.267 1.00 0.00 C ATOM 394 O ASP A 214 4.818 8.302 -1.832 1.00 0.00 O ATOM 395 CB ASP A 214 7.411 6.940 -1.487 1.00 0.00 C ATOM 396 CG ASP A 214 8.065 7.504 -2.751 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.482 8.682 -2.725 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.136 6.727 -3.728 1.00 0.00 O ATOM 0 H ASP A 214 6.104 6.287 0.408 1.00 0.00 H new ATOM 0 HA ASP A 214 7.606 8.647 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.155 6.364 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.624 6.245 -1.781 1.00 0.00 H new ATOM 403 N PRO A 215 5.894 10.207 -1.281 1.00 0.00 N ATOM 404 CA PRO A 215 4.955 11.100 -1.960 1.00 0.00 C ATOM 405 C PRO A 215 5.140 11.124 -3.488 1.00 0.00 C ATOM 406 O PRO A 215 4.459 11.888 -4.171 1.00 0.00 O ATOM 407 CB PRO A 215 5.205 12.474 -1.331 1.00 0.00 C ATOM 408 CG PRO A 215 6.707 12.442 -1.056 1.00 0.00 C ATOM 409 CD PRO A 215 6.949 10.989 -0.648 1.00 0.00 C ATOM 0 HA PRO A 215 3.926 10.764 -1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.933 13.285 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.628 12.613 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.285 12.715 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 215 6.987 13.136 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 215 7.933 10.652 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 215 6.918 10.879 0.436 1.00 0.00 H new ATOM 417 N ASP A 216 6.029 10.270 -4.014 1.00 0.00 N ATOM 418 CA ASP A 216 6.266 10.050 -5.434 1.00 0.00 C ATOM 419 C ASP A 216 5.946 8.591 -5.813 1.00 0.00 C ATOM 420 O ASP A 216 6.173 8.192 -6.957 1.00 0.00 O ATOM 421 CB ASP A 216 7.712 10.463 -5.762 1.00 0.00 C ATOM 422 CG ASP A 216 7.981 10.566 -7.265 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.304 11.395 -7.912 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.873 9.830 -7.742 1.00 0.00 O ATOM 0 H ASP A 216 6.627 9.689 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 216 5.600 10.667 -6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 216 7.924 11.425 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.399 9.738 -5.325 1.00 0.00 H new ATOM 429 N CYS A 217 5.383 7.798 -4.879 1.00 0.00 N ATOM 430 CA CYS A 217 4.860 6.473 -5.177 1.00 0.00 C ATOM 431 C CYS A 217 3.765 6.573 -6.246 1.00 0.00 C ATOM 432 O CYS A 217 2.799 7.322 -6.102 1.00 0.00 O ATOM 433 CB CYS A 217 4.304 5.857 -3.897 1.00 0.00 C ATOM 434 SG CYS A 217 3.716 4.171 -4.194 1.00 0.00 S ATOM 0 H CYS A 217 5.284 8.069 -3.901 1.00 0.00 H new ATOM 0 HA CYS A 217 5.658 5.838 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.077 5.847 -3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.486 6.470 -3.519 1.00 0.00 H new ATOM 0 HG CYS A 217 4.377 3.342 -3.441 1.00 0.00 H new ATOM 440 N SER A 218 3.929 5.773 -7.303 1.00 0.00 N ATOM 441 CA SER A 218 3.063 5.735 -8.487 1.00 0.00 C ATOM 442 C SER A 218 1.754 4.954 -8.261 1.00 0.00 C ATOM 443 O SER A 218 1.006 4.732 -9.211 1.00 0.00 O ATOM 444 CB SER A 218 3.853 5.133 -9.656 1.00 0.00 C ATOM 445 OG SER A 218 4.948 5.959 -9.996 1.00 0.00 O ATOM 0 H SER A 218 4.699 5.107 -7.361 1.00 0.00 H new ATOM 0 HA SER A 218 2.763 6.759 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.211 4.139 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.199 5.013 -10.520 1.00 0.00 H new ATOM 0 HG SER A 218 5.441 5.558 -10.742 1.00 0.00 H new ATOM 451 N ILE A 219 1.487 4.532 -7.016 1.00 0.00 N ATOM 452 CA ILE A 219 0.338 3.723 -6.607 1.00 0.00 C ATOM 453 C ILE A 219 -0.304 4.312 -5.336 1.00 0.00 C ATOM 454 O ILE A 219 -1.525 4.281 -5.207 1.00 0.00 O ATOM 455 CB ILE A 219 0.807 2.250 -6.457 1.00 0.00 C ATOM 456 CG1 ILE A 219 0.888 1.571 -7.844 1.00 0.00 C ATOM 457 CG2 ILE A 219 -0.080 1.458 -5.488 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.479 0.153 -7.834 1.00 0.00 C ATOM 0 H ILE A 219 2.099 4.759 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.449 3.739 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 219 1.806 2.258 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.114 1.529 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.490 2.196 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.286 0.434 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.051 1.925 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -1.106 1.451 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.496 -0.241 -8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.495 0.185 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.866 -0.492 -7.204 1.00 0.00 H new ATOM 470 N GLU A 220 0.506 4.901 -4.444 1.00 0.00 N ATOM 471 CA GLU A 220 0.126 5.692 -3.264 1.00 0.00 C ATOM 472 C GLU A 220 -0.469 4.882 -2.096 1.00 0.00 C ATOM 473 O GLU A 220 -0.116 5.152 -0.952 1.00 0.00 O ATOM 474 CB GLU A 220 -0.712 6.927 -3.690 1.00 0.00 C ATOM 475 CG GLU A 220 -2.151 7.039 -3.154 1.00 0.00 C ATOM 476 CD GLU A 220 -2.231 7.448 -1.677 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.594 8.465 -1.323 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.945 6.751 -0.924 1.00 0.00 O ATOM 0 H GLU A 220 1.520 4.832 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 220 1.051 6.063 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.170 7.821 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.758 6.941 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.696 7.768 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.653 6.080 -3.284 1.00 0.00 H new ATOM 485 N TRP A 221 -1.307 3.874 -2.375 1.00 0.00 N ATOM 486 CA TRP A 221 -2.036 3.056 -1.408 1.00 0.00 C ATOM 487 C TRP A 221 -1.839 1.581 -1.765 1.00 0.00 C ATOM 488 O TRP A 221 -1.727 1.206 -2.931 1.00 0.00 O ATOM 489 CB TRP A 221 -3.514 3.461 -1.357 1.00 0.00 C ATOM 490 CG TRP A 221 -4.433 2.495 -1.982 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.813 2.501 -3.265 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.966 1.289 -1.388 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.497 1.335 -3.535 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.608 0.539 -2.410 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.900 0.734 -0.096 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -6.171 -0.719 -2.153 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.480 -0.516 0.163 1.00 0.00 C ATOM 498 CH2 TRP A 221 -6.094 -1.250 -0.856 1.00 0.00 C ATOM 0 H TRP A 221 -1.502 3.596 -3.337 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.644 3.219 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.804 3.598 -0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.631 4.426 -1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.616 3.291 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.874 1.090 -4.451 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.402 1.272 0.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.658 -1.272 -2.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.452 -0.918 1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.509 -2.225 -0.645 1.00 0.00 H new ATOM 509 N PHE A 222 -1.844 0.737 -0.735 1.00 0.00 N ATOM 510 CA PHE A 222 -1.635 -0.699 -0.854 1.00 0.00 C ATOM 511 C PHE A 222 -2.462 -1.367 0.218 1.00 0.00 C ATOM 512 O PHE A 222 -2.691 -0.808 1.288 1.00 0.00 O ATOM 513 CB PHE A 222 -0.164 -1.074 -0.628 1.00 0.00 C ATOM 514 CG PHE A 222 0.778 -0.569 -1.693 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.241 0.755 -1.625 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.161 -1.396 -2.765 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.046 1.277 -2.641 1.00 0.00 C ATOM 518 CE2 PHE A 222 1.999 -0.887 -3.771 1.00 0.00 C ATOM 519 CZ PHE A 222 2.431 0.450 -3.709 1.00 0.00 C ATOM 0 H PHE A 222 -1.997 1.043 0.226 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.920 -1.019 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.154 -0.681 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.083 -2.160 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.973 1.374 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.812 -2.417 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.369 2.307 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.310 -1.520 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.065 0.844 -4.490 1.00 0.00 H new ATOM 529 N HIS A 223 -2.899 -2.585 -0.076 1.00 0.00 N ATOM 530 CA HIS A 223 -3.626 -3.389 0.881 1.00 0.00 C ATOM 531 C HIS A 223 -2.684 -3.897 1.977 1.00 0.00 C ATOM 532 O HIS A 223 -1.507 -4.173 1.739 1.00 0.00 O ATOM 533 CB HIS A 223 -4.274 -4.514 0.080 1.00 0.00 C ATOM 534 CG HIS A 223 -5.348 -5.323 0.740 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.716 -6.591 0.297 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.165 -4.937 1.761 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.724 -6.959 1.107 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.019 -5.986 1.987 1.00 0.00 N ATOM 0 H HIS A 223 -2.758 -3.035 -0.980 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.395 -2.820 1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.694 -4.078 -0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.485 -5.199 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.144 -3.994 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.231 -7.912 1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.750 -6.022 2.698 1.00 0.00 H new ATOM 546 N PHE A 224 -3.241 -4.054 3.177 1.00 0.00 N ATOM 547 CA PHE A 224 -2.634 -4.759 4.306 1.00 0.00 C ATOM 548 C PHE A 224 -2.347 -6.242 3.986 1.00 0.00 C ATOM 549 O PHE A 224 -1.714 -6.907 4.798 1.00 0.00 O ATOM 550 CB PHE A 224 -3.584 -4.670 5.514 1.00 0.00 C ATOM 551 CG PHE A 224 -3.174 -3.701 6.607 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.156 -2.314 6.360 1.00 0.00 C ATOM 553 CD2 PHE A 224 -2.902 -4.182 7.904 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.883 -1.417 7.408 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.629 -3.283 8.948 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.622 -1.901 8.701 1.00 0.00 C ATOM 0 H PHE A 224 -4.163 -3.679 3.398 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.678 -4.284 4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.573 -4.385 5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.678 -5.664 5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.352 -1.940 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -2.904 -5.245 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.874 -0.354 7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.424 -3.655 9.941 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.416 -1.210 9.505 1.00 0.00 H new ATOM 566 N ALA A 225 -2.766 -6.760 2.819 1.00 0.00 N ATOM 567 CA ALA A 225 -2.413 -8.080 2.319 1.00 0.00 C ATOM 568 C ALA A 225 -1.672 -8.020 0.972 1.00 0.00 C ATOM 569 O ALA A 225 -1.239 -9.062 0.481 1.00 0.00 O ATOM 570 CB ALA A 225 -3.656 -8.975 2.277 1.00 0.00 C ATOM 0 H ALA A 225 -3.379 -6.247 2.185 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.703 -8.529 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.382 -9.961 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.069 -9.071 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.402 -8.531 1.619 1.00 0.00 H new ATOM 576 N CYS A 226 -1.469 -6.820 0.393 1.00 0.00 N ATOM 577 CA CYS A 226 -0.547 -6.607 -0.723 1.00 0.00 C ATOM 578 C CYS A 226 0.922 -6.666 -0.249 1.00 0.00 C ATOM 579 O CYS A 226 1.830 -6.619 -1.078 1.00 0.00 O ATOM 580 CB CYS A 226 -0.843 -5.272 -1.395 1.00 0.00 C ATOM 581 SG CYS A 226 -2.198 -5.408 -2.596 1.00 0.00 S ATOM 0 H CYS A 226 -1.947 -5.971 0.694 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.693 -7.407 -1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.102 -4.533 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.054 -4.911 -1.898 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.072 -4.472 -2.372 1.00 0.00 H new ATOM 587 N VAL A 227 1.144 -6.785 1.070 1.00 0.00 N ATOM 588 CA VAL A 227 2.443 -6.924 1.731 1.00 0.00 C ATOM 589 C VAL A 227 2.435 -8.030 2.805 1.00 0.00 C ATOM 590 O VAL A 227 3.489 -8.412 3.311 1.00 0.00 O ATOM 591 CB VAL A 227 2.856 -5.548 2.292 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.886 -5.082 3.395 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.310 -5.529 2.797 1.00 0.00 C ATOM 0 H VAL A 227 0.374 -6.786 1.739 1.00 0.00 H new ATOM 0 HA VAL A 227 3.189 -7.246 1.004 1.00 0.00 H new ATOM 0 HB VAL A 227 2.798 -4.844 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.203 -4.109 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.879 -5.002 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.889 -5.805 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.549 -4.537 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.428 -6.265 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.984 -5.772 1.975 1.00 0.00 H new ATOM 603 N GLY A 228 1.250 -8.552 3.139 1.00 0.00 N ATOM 604 CA GLY A 228 1.047 -9.539 4.193 1.00 0.00 C ATOM 605 C GLY A 228 1.215 -8.964 5.605 1.00 0.00 C ATOM 606 O GLY A 228 1.758 -9.655 6.467 1.00 0.00 O ATOM 0 H GLY A 228 0.385 -8.289 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 228 0.047 -9.962 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.754 -10.358 4.055 1.00 0.00 H new ATOM 610 N LEU A 229 0.788 -7.711 5.843 1.00 0.00 N ATOM 611 CA LEU A 229 0.775 -7.109 7.177 1.00 0.00 C ATOM 612 C LEU A 229 -0.221 -7.818 8.108 1.00 0.00 C ATOM 613 O LEU A 229 -1.176 -8.460 7.668 1.00 0.00 O ATOM 614 CB LEU A 229 0.456 -5.597 7.100 1.00 0.00 C ATOM 615 CG LEU A 229 1.697 -4.685 7.014 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.230 -3.240 6.794 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.587 -4.739 8.267 1.00 0.00 C ATOM 0 H LEU A 229 0.443 -7.091 5.110 1.00 0.00 H new ATOM 0 HA LEU A 229 1.773 -7.232 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.174 -5.415 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.126 -5.316 7.978 1.00 0.00 H new ATOM 0 HG LEU A 229 2.303 -5.045 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.097 -2.583 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.660 -3.179 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.600 -2.930 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.440 -4.073 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.011 -4.423 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.942 -5.759 8.418 1.00 0.00 H new ATOM 746 N TRP A 237 6.031 3.611 6.474 1.00 0.00 N ATOM 747 CA TRP A 237 5.993 2.330 5.778 1.00 0.00 C ATOM 748 C TRP A 237 6.371 2.515 4.298 1.00 0.00 C ATOM 749 O TRP A 237 6.353 3.626 3.764 1.00 0.00 O ATOM 750 CB TRP A 237 4.602 1.710 5.973 1.00 0.00 C ATOM 751 CG TRP A 237 4.338 0.384 5.317 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.605 -0.836 5.833 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.767 0.126 3.998 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.236 -1.819 4.937 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.715 -1.280 3.780 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.330 0.951 2.944 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.239 -1.828 2.577 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.862 0.410 1.731 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.792 -0.978 1.558 1.00 0.00 C ATOM 0 HA TRP A 237 6.728 1.640 6.193 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.431 1.596 7.043 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.862 2.421 5.606 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.043 -1.016 6.804 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.336 -2.819 5.109 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.354 2.024 3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.218 -2.899 2.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.556 1.068 0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.395 -1.391 0.642 1.00 0.00 H new ATOM 770 N PHE A 238 6.714 1.401 3.638 1.00 0.00 N ATOM 771 CA PHE A 238 7.104 1.344 2.235 1.00 0.00 C ATOM 772 C PHE A 238 6.495 0.088 1.601 1.00 0.00 C ATOM 773 O PHE A 238 6.477 -0.972 2.228 1.00 0.00 O ATOM 774 CB PHE A 238 8.633 1.254 2.109 1.00 0.00 C ATOM 775 CG PHE A 238 9.441 2.401 2.692 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.857 2.354 4.038 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.854 3.469 1.874 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.692 3.359 4.556 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.702 4.466 2.389 1.00 0.00 C ATOM 780 CZ PHE A 238 11.129 4.406 3.728 1.00 0.00 C ATOM 0 H PHE A 238 6.726 0.486 4.088 1.00 0.00 H new ATOM 0 HA PHE A 238 6.750 2.244 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 238 8.959 0.331 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 238 8.881 1.168 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.533 1.543 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.519 3.523 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.998 3.326 5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.026 5.279 1.756 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.792 5.164 4.119 1.00 0.00 H new ATOM 790 N CYS A 239 6.044 0.191 0.342 1.00 0.00 N ATOM 791 CA CYS A 239 5.547 -0.948 -0.418 1.00 0.00 C ATOM 792 C CYS A 239 6.670 -1.937 -0.775 1.00 0.00 C ATOM 793 O CYS A 239 7.841 -1.562 -0.696 1.00 0.00 O ATOM 794 CB CYS A 239 4.776 -0.395 -1.619 1.00 0.00 C ATOM 795 SG CYS A 239 5.839 0.325 -2.894 1.00 0.00 S ATOM 0 H CYS A 239 6.017 1.072 -0.172 1.00 0.00 H new ATOM 0 HA CYS A 239 4.863 -1.551 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.185 -1.197 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.075 0.364 -1.272 1.00 0.00 H new ATOM 0 HG CYS A 239 5.108 0.733 -3.889 1.00 0.00 H new ATOM 801 N PRO A 240 6.347 -3.184 -1.184 1.00 0.00 N ATOM 802 CA PRO A 240 7.328 -4.201 -1.580 1.00 0.00 C ATOM 803 C PRO A 240 7.971 -3.923 -2.958 1.00 0.00 C ATOM 804 O PRO A 240 8.293 -4.852 -3.697 1.00 0.00 O ATOM 805 CB PRO A 240 6.568 -5.534 -1.498 1.00 0.00 C ATOM 806 CG PRO A 240 5.136 -5.138 -1.837 1.00 0.00 C ATOM 807 CD PRO A 240 5.007 -3.766 -1.180 1.00 0.00 C ATOM 0 HA PRO A 240 8.196 -4.207 -0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 240 6.961 -6.266 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.639 -5.978 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 240 4.973 -5.089 -2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.413 -5.849 -1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.307 -3.136 -1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.625 -3.856 -0.163 1.00 0.00 H new ATOM 815 N ARG A 241 8.170 -2.638 -3.298 1.00 0.00 N ATOM 816 CA ARG A 241 8.919 -2.168 -4.461 1.00 0.00 C ATOM 817 C ARG A 241 9.833 -1.007 -4.054 1.00 0.00 C ATOM 818 O ARG A 241 10.969 -0.923 -4.512 1.00 0.00 O ATOM 819 CB ARG A 241 7.969 -1.717 -5.584 1.00 0.00 C ATOM 820 CG ARG A 241 7.044 -2.825 -6.111 1.00 0.00 C ATOM 821 CD ARG A 241 6.170 -2.271 -7.242 1.00 0.00 C ATOM 822 NE ARG A 241 5.244 -3.288 -7.759 1.00 0.00 N ATOM 823 CZ ARG A 241 4.309 -3.076 -8.698 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.130 -1.875 -9.252 1.00 0.00 N ATOM 825 NH2 ARG A 241 3.536 -4.087 -9.096 1.00 0.00 N ATOM 0 H ARG A 241 7.794 -1.870 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 241 9.524 -2.994 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.357 -0.893 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.562 -1.330 -6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.636 -3.665 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.416 -3.203 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.603 -1.414 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.806 -1.912 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 241 5.318 -4.230 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.712 -1.089 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 241 3.411 -1.744 -9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.658 -5.014 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 241 2.823 -3.934 -9.809 1.00 0.00 H new ATOM 839 N CYS A 242 9.348 -0.151 -3.144 1.00 0.00 N ATOM 840 CA CYS A 242 10.069 0.910 -2.486 1.00 0.00 C ATOM 841 C CYS A 242 11.039 0.376 -1.423 1.00 0.00 C ATOM 842 O CYS A 242 12.115 0.943 -1.244 1.00 0.00 O ATOM 843 CB CYS A 242 8.974 1.755 -1.843 1.00 0.00 C ATOM 844 SG CYS A 242 8.202 2.877 -3.046 1.00 0.00 S ATOM 0 H CYS A 242 8.376 -0.198 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 242 10.690 1.472 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.214 1.102 -1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.396 2.335 -1.022 1.00 0.00 H new ATOM 0 HG CYS A 242 7.068 2.377 -3.440 1.00 0.00 H new