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 178:sc= 0.186 USER MOD Set 1.2: A 239 CYS SG : rot 178:sc= 0.398 USER MOD Set 1.3: A 242 CYS SG : rot 100:sc= 1.31 USER MOD Set 2.1: A 199 CYS SG : rot -160:sc= -0.896 USER MOD Set 2.2: A 201 CYS SG : rot 81:sc= 1.38 USER MOD Set 2.3: A 206 TYR OH : rot 175:sc= 0.159 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.749 X(o=0.045,f=0.13) USER MOD Set 2.5: A 226 CYS SG : rot -33:sc= 0.147 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= -0.152 X(o=-0.15,f=-0.27) USER MOD Single : A 203 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 172:sc= 0 (180deg=-0.034) USER MOD Single : A 217 CYS SG : rot 120:sc= 0.645 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.351 2.449 -8.650 1.00 0.00 N ATOM 149 CA THR A 197 -7.617 1.261 -8.200 1.00 0.00 C ATOM 150 C THR A 197 -6.089 1.413 -8.317 1.00 0.00 C ATOM 151 O THR A 197 -5.605 2.121 -9.201 1.00 0.00 O ATOM 152 CB THR A 197 -8.149 -0.020 -8.851 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.579 -0.259 -10.120 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.679 -0.104 -8.946 1.00 0.00 C ATOM 0 HA THR A 197 -7.809 1.165 -7.131 1.00 0.00 H new ATOM 0 HB THR A 197 -7.834 -0.805 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.948 -1.086 -10.494 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.963 -1.044 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 197 -10.109 -0.058 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.053 0.730 -9.540 1.00 0.00 H new ATOM 162 N TYR A 198 -5.315 0.784 -7.408 1.00 0.00 N ATOM 163 CA TYR A 198 -3.876 1.085 -7.326 1.00 0.00 C ATOM 164 C TYR A 198 -3.028 -0.033 -6.708 1.00 0.00 C ATOM 165 O TYR A 198 -1.966 -0.323 -7.255 1.00 0.00 O ATOM 166 CB TYR A 198 -3.610 2.366 -6.519 1.00 0.00 C ATOM 167 CG TYR A 198 -4.502 3.589 -6.717 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.794 3.636 -6.153 1.00 0.00 C ATOM 169 CD2 TYR A 198 -4.009 4.712 -7.410 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.591 4.787 -6.279 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.794 5.871 -7.533 1.00 0.00 C ATOM 172 CZ TYR A 198 -6.090 5.914 -6.967 1.00 0.00 C ATOM 173 OH TYR A 198 -6.852 7.039 -7.086 1.00 0.00 O ATOM 0 H TYR A 198 -5.650 0.088 -6.742 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.576 1.205 -8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.654 2.100 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.585 2.674 -6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -6.175 2.778 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -3.023 4.682 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.582 4.809 -5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.407 6.730 -8.061 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.355 7.719 -7.587 1.00 0.00 H new ATOM 183 N CYS A 199 -3.471 -0.651 -5.594 1.00 0.00 N ATOM 184 CA CYS A 199 -2.915 -1.866 -5.004 1.00 0.00 C ATOM 185 C CYS A 199 -2.516 -2.930 -6.024 1.00 0.00 C ATOM 186 O CYS A 199 -2.929 -2.938 -7.185 1.00 0.00 O ATOM 187 CB CYS A 199 -4.003 -2.528 -4.136 1.00 0.00 C ATOM 188 SG CYS A 199 -5.587 -2.524 -4.923 1.00 0.00 S ATOM 0 H CYS A 199 -4.264 -0.292 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 199 -2.027 -1.549 -4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.713 -3.555 -3.915 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.072 -2.004 -3.183 1.00 0.00 H new ATOM 0 HG CYS A 199 -6.516 -2.687 -4.029 1.00 0.00 H new ATOM 193 N LEU A 200 -1.821 -3.933 -5.492 1.00 0.00 N ATOM 194 CA LEU A 200 -1.548 -5.171 -6.201 1.00 0.00 C ATOM 195 C LEU A 200 -2.833 -6.000 -6.327 1.00 0.00 C ATOM 196 O LEU A 200 -2.817 -7.024 -7.008 1.00 0.00 O ATOM 197 CB LEU A 200 -0.457 -5.987 -5.480 1.00 0.00 C ATOM 198 CG LEU A 200 0.682 -5.157 -4.856 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.640 -6.078 -4.090 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.472 -4.353 -5.901 1.00 0.00 C ATOM 0 H LEU A 200 -1.431 -3.905 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.185 -4.923 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.928 -6.577 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.024 -6.691 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 200 0.218 -4.442 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.442 -5.485 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.095 -6.592 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.064 -6.812 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.261 -3.788 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.915 -5.035 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.801 -3.665 -6.414 1.00 0.00 H new ATOM 212 N CYS A 201 -3.936 -5.565 -5.688 1.00 0.00 N ATOM 213 CA CYS A 201 -5.225 -6.193 -5.813 1.00 0.00 C ATOM 214 C CYS A 201 -6.097 -5.499 -6.866 1.00 0.00 C ATOM 215 O CYS A 201 -7.124 -6.056 -7.252 1.00 0.00 O ATOM 216 CB CYS A 201 -5.875 -6.086 -4.447 1.00 0.00 C ATOM 217 SG CYS A 201 -5.050 -7.125 -3.209 1.00 0.00 S ATOM 0 H CYS A 201 -3.936 -4.756 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.115 -7.228 -6.137 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.855 -5.047 -4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.923 -6.376 -4.522 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.986 -6.518 -2.773 1.00 0.00 H new ATOM 222 N HIS A 202 -5.688 -4.293 -7.299 1.00 0.00 N ATOM 223 CA HIS A 202 -6.412 -3.392 -8.195 1.00 0.00 C ATOM 224 C HIS A 202 -7.893 -3.231 -7.803 1.00 0.00 C ATOM 225 O HIS A 202 -8.789 -3.434 -8.623 1.00 0.00 O ATOM 226 CB HIS A 202 -6.134 -3.729 -9.673 1.00 0.00 C ATOM 227 CG HIS A 202 -6.499 -5.128 -10.107 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.756 -5.580 -10.440 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.645 -6.192 -10.230 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.655 -6.885 -10.744 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.384 -7.308 -10.634 1.00 0.00 N ATOM 0 H HIS A 202 -4.790 -3.904 -7.012 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.017 -2.384 -8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.680 -3.021 -10.297 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.073 -3.573 -9.868 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.581 -6.172 -10.046 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.485 -7.511 -11.038 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.031 -8.249 -10.809 1.00 0.00 H new ATOM 239 N GLN A 203 -8.136 -2.860 -6.532 1.00 0.00 N ATOM 240 CA GLN A 203 -9.456 -2.602 -5.955 1.00 0.00 C ATOM 241 C GLN A 203 -9.260 -2.012 -4.557 1.00 0.00 C ATOM 242 O GLN A 203 -8.384 -2.465 -3.832 1.00 0.00 O ATOM 243 CB GLN A 203 -10.301 -3.894 -5.875 1.00 0.00 C ATOM 244 CG GLN A 203 -9.702 -4.997 -4.984 1.00 0.00 C ATOM 245 CD GLN A 203 -10.370 -6.346 -5.232 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.348 -6.692 -4.577 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.842 -7.120 -6.180 1.00 0.00 N ATOM 0 H GLN A 203 -7.383 -2.728 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.996 -1.902 -6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.293 -3.641 -5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.432 -4.290 -6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.632 -5.080 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.817 -4.721 -3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.028 -6.800 -6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.252 -8.032 -6.380 1.00 0.00 H new ATOM 256 N VAL A 204 -10.092 -1.039 -4.176 1.00 0.00 N ATOM 257 CA VAL A 204 -10.097 -0.388 -2.847 1.00 0.00 C ATOM 258 C VAL A 204 -11.490 -0.496 -2.185 1.00 0.00 C ATOM 259 O VAL A 204 -12.450 -0.928 -2.823 1.00 0.00 O ATOM 260 CB VAL A 204 -9.554 1.073 -2.896 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.849 1.467 -1.572 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.570 1.313 -4.057 1.00 0.00 C ATOM 0 H VAL A 204 -10.808 -0.665 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.399 -0.931 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.435 1.696 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.484 2.492 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.557 1.392 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -8.010 0.795 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.228 2.348 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.714 0.646 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.070 1.115 -5.005 1.00 0.00 H new ATOM 272 N SER A 205 -11.583 -0.121 -0.896 1.00 0.00 N ATOM 273 CA SER A 205 -12.760 -0.239 -0.022 1.00 0.00 C ATOM 274 C SER A 205 -13.124 -1.701 0.312 1.00 0.00 C ATOM 275 O SER A 205 -14.161 -2.213 -0.112 1.00 0.00 O ATOM 276 CB SER A 205 -13.931 0.603 -0.553 1.00 0.00 C ATOM 277 OG SER A 205 -14.908 0.767 0.454 1.00 0.00 O ATOM 0 H SER A 205 -10.790 0.297 -0.410 1.00 0.00 H new ATOM 0 HA SER A 205 -12.496 0.188 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.569 1.577 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.373 0.118 -1.423 1.00 0.00 H new ATOM 0 HG SER A 205 -15.649 1.306 0.106 1.00 0.00 H new ATOM 283 N TYR A 206 -12.229 -2.373 1.052 1.00 0.00 N ATOM 284 CA TYR A 206 -12.300 -3.782 1.447 1.00 0.00 C ATOM 285 C TYR A 206 -11.302 -3.997 2.595 1.00 0.00 C ATOM 286 O TYR A 206 -10.089 -3.883 2.408 1.00 0.00 O ATOM 287 CB TYR A 206 -12.033 -4.742 0.257 1.00 0.00 C ATOM 288 CG TYR A 206 -10.638 -4.734 -0.361 1.00 0.00 C ATOM 289 CD1 TYR A 206 -10.047 -3.514 -0.729 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.912 -5.929 -0.562 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.737 -3.469 -1.188 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.610 -5.895 -1.106 1.00 0.00 C ATOM 293 CZ TYR A 206 -8.010 -4.649 -1.405 1.00 0.00 C ATOM 294 OH TYR A 206 -6.760 -4.518 -1.931 1.00 0.00 O ATOM 0 H TYR A 206 -11.389 -1.918 1.410 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.310 -4.018 1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.246 -5.757 0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.750 -4.508 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.618 -2.600 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.357 -6.877 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.272 -2.513 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.075 -6.814 -1.293 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.324 -5.395 -1.961 1.00 0.00 H new ATOM 304 N GLY A 207 -11.822 -4.265 3.800 1.00 0.00 N ATOM 305 CA GLY A 207 -11.060 -4.288 5.030 1.00 0.00 C ATOM 306 C GLY A 207 -10.531 -2.892 5.343 1.00 0.00 C ATOM 307 O GLY A 207 -11.230 -1.885 5.229 1.00 0.00 O ATOM 0 H GLY A 207 -12.811 -4.476 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.687 -4.640 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.230 -4.989 4.940 1.00 0.00 H new ATOM 311 N GLU A 208 -9.258 -2.888 5.718 1.00 0.00 N ATOM 312 CA GLU A 208 -8.444 -1.722 6.042 1.00 0.00 C ATOM 313 C GLU A 208 -7.348 -1.498 4.989 1.00 0.00 C ATOM 314 O GLU A 208 -7.109 -2.340 4.124 1.00 0.00 O ATOM 315 CB GLU A 208 -7.895 -1.853 7.472 1.00 0.00 C ATOM 316 CG GLU A 208 -6.808 -2.918 7.678 1.00 0.00 C ATOM 317 CD GLU A 208 -7.332 -4.354 7.595 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.851 -4.833 8.626 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.216 -4.948 6.499 1.00 0.00 O ATOM 0 H GLU A 208 -8.731 -3.757 5.810 1.00 0.00 H new ATOM 0 HA GLU A 208 -9.065 -0.827 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.492 -0.887 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.726 -2.076 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.030 -2.780 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.342 -2.766 8.652 1.00 0.00 H new ATOM 326 N MET A 209 -6.690 -0.336 5.069 1.00 0.00 N ATOM 327 CA MET A 209 -5.788 0.177 4.039 1.00 0.00 C ATOM 328 C MET A 209 -4.524 0.787 4.650 1.00 0.00 C ATOM 329 O MET A 209 -4.516 1.186 5.816 1.00 0.00 O ATOM 330 CB MET A 209 -6.539 1.239 3.208 1.00 0.00 C ATOM 331 CG MET A 209 -7.728 0.689 2.397 1.00 0.00 C ATOM 332 SD MET A 209 -9.347 0.643 3.219 1.00 0.00 S ATOM 333 CE MET A 209 -9.743 2.412 3.258 1.00 0.00 C ATOM 0 H MET A 209 -6.774 0.287 5.872 1.00 0.00 H new ATOM 0 HA MET A 209 -5.475 -0.651 3.403 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.902 2.018 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.835 1.711 2.523 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.826 1.289 1.493 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.481 -0.325 2.081 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.768 2.548 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 209 -9.061 2.923 3.938 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.638 2.830 2.257 1.00 0.00 H new ATOM 343 N ILE A 210 -3.471 0.899 3.826 1.00 0.00 N ATOM 344 CA ILE A 210 -2.257 1.631 4.139 1.00 0.00 C ATOM 345 C ILE A 210 -1.897 2.470 2.908 1.00 0.00 C ATOM 346 O ILE A 210 -2.767 3.094 2.300 1.00 0.00 O ATOM 347 CB ILE A 210 -1.173 0.674 4.723 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.055 1.348 5.379 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.680 -0.462 3.808 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.286 2.432 6.407 1.00 0.00 C ATOM 0 H ILE A 210 -3.450 0.468 2.902 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.375 2.349 4.950 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.778 0.224 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.657 0.581 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.672 1.789 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.070 -1.053 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.520 -1.101 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.241 -0.037 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.635 2.849 6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.860 3.223 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.875 1.996 7.214 1.00 0.00 H new ATOM 362 N GLY A 211 -0.615 2.517 2.575 1.00 0.00 N ATOM 363 CA GLY A 211 -0.024 3.399 1.599 1.00 0.00 C ATOM 364 C GLY A 211 1.411 3.750 1.941 1.00 0.00 C ATOM 365 O GLY A 211 1.721 4.115 3.074 1.00 0.00 O ATOM 0 H GLY A 211 0.074 1.902 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 211 -0.057 2.926 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.614 4.313 1.533 1.00 0.00 H new ATOM 369 N CYS A 212 2.267 3.620 0.923 1.00 0.00 N ATOM 370 CA CYS A 212 3.688 3.930 1.003 1.00 0.00 C ATOM 371 C CYS A 212 3.848 5.424 1.289 1.00 0.00 C ATOM 372 O CYS A 212 3.321 6.253 0.545 1.00 0.00 O ATOM 373 CB CYS A 212 4.426 3.503 -0.279 1.00 0.00 C ATOM 374 SG CYS A 212 6.164 4.017 -0.158 1.00 0.00 S ATOM 0 H CYS A 212 1.980 3.289 0.002 1.00 0.00 H new ATOM 0 HA CYS A 212 4.143 3.365 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.361 2.423 -0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 212 3.958 3.958 -1.152 1.00 0.00 H new ATOM 0 HG CYS A 212 6.809 3.617 -1.214 1.00 0.00 H new ATOM 379 N ASP A 213 4.589 5.748 2.359 1.00 0.00 N ATOM 380 CA ASP A 213 4.846 7.111 2.813 1.00 0.00 C ATOM 381 C ASP A 213 5.671 7.952 1.816 1.00 0.00 C ATOM 382 O ASP A 213 5.890 9.134 2.079 1.00 0.00 O ATOM 383 CB ASP A 213 5.549 7.068 4.179 1.00 0.00 C ATOM 384 CG ASP A 213 4.687 6.521 5.325 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.224 5.364 5.222 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.557 7.254 6.331 1.00 0.00 O ATOM 0 H ASP A 213 5.036 5.044 2.945 1.00 0.00 H new ATOM 0 HA ASP A 213 3.878 7.606 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.446 6.455 4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.876 8.076 4.437 1.00 0.00 H new ATOM 391 N ASP A 214 6.131 7.375 0.693 1.00 0.00 N ATOM 392 CA ASP A 214 6.727 8.104 -0.418 1.00 0.00 C ATOM 393 C ASP A 214 5.621 8.905 -1.132 1.00 0.00 C ATOM 394 O ASP A 214 4.710 8.288 -1.687 1.00 0.00 O ATOM 395 CB ASP A 214 7.373 7.081 -1.368 1.00 0.00 C ATOM 396 CG ASP A 214 8.024 7.687 -2.612 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.390 8.881 -2.565 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.151 6.925 -3.594 1.00 0.00 O ATOM 0 H ASP A 214 6.094 6.368 0.538 1.00 0.00 H new ATOM 0 HA ASP A 214 7.491 8.802 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.127 6.519 -0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.612 6.368 -1.684 1.00 0.00 H new ATOM 403 N PRO A 215 5.681 10.254 -1.161 1.00 0.00 N ATOM 404 CA PRO A 215 4.696 11.086 -1.851 1.00 0.00 C ATOM 405 C PRO A 215 4.885 11.107 -3.379 1.00 0.00 C ATOM 406 O PRO A 215 4.151 11.809 -4.071 1.00 0.00 O ATOM 407 CB PRO A 215 4.867 12.479 -1.238 1.00 0.00 C ATOM 408 CG PRO A 215 6.368 12.533 -0.961 1.00 0.00 C ATOM 409 CD PRO A 215 6.689 11.101 -0.535 1.00 0.00 C ATOM 0 HA PRO A 215 3.688 10.693 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.552 13.266 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.281 12.596 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 215 6.932 12.827 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 215 6.608 13.251 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 215 7.691 10.815 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 215 6.661 11.002 0.550 1.00 0.00 H new ATOM 417 N ASP A 216 5.840 10.318 -3.892 1.00 0.00 N ATOM 418 CA ASP A 216 6.104 10.109 -5.310 1.00 0.00 C ATOM 419 C ASP A 216 5.846 8.640 -5.695 1.00 0.00 C ATOM 420 O ASP A 216 6.092 8.259 -6.839 1.00 0.00 O ATOM 421 CB ASP A 216 7.539 10.575 -5.616 1.00 0.00 C ATOM 422 CG ASP A 216 7.826 10.695 -7.115 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.125 11.498 -7.770 1.00 0.00 O ATOM 424 OD2 ASP A 216 8.757 10.000 -7.580 1.00 0.00 O ATOM 0 H ASP A 216 6.475 9.787 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 216 5.423 10.701 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 216 7.710 11.541 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.245 9.873 -5.172 1.00 0.00 H new ATOM 429 N CYS A 217 5.313 7.820 -4.767 1.00 0.00 N ATOM 430 CA CYS A 217 4.833 6.480 -5.074 1.00 0.00 C ATOM 431 C CYS A 217 3.733 6.549 -6.142 1.00 0.00 C ATOM 432 O CYS A 217 2.747 7.271 -5.995 1.00 0.00 O ATOM 433 CB CYS A 217 4.294 5.846 -3.795 1.00 0.00 C ATOM 434 SG CYS A 217 3.736 4.149 -4.089 1.00 0.00 S ATOM 0 H CYS A 217 5.208 8.079 -3.786 1.00 0.00 H new ATOM 0 HA CYS A 217 5.650 5.873 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.070 5.849 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.466 6.442 -3.411 1.00 0.00 H new ATOM 0 HG CYS A 217 4.416 3.333 -3.340 1.00 0.00 H new ATOM 440 N SER A 218 3.913 5.749 -7.199 1.00 0.00 N ATOM 441 CA SER A 218 3.049 5.687 -8.384 1.00 0.00 C ATOM 442 C SER A 218 1.709 4.969 -8.136 1.00 0.00 C ATOM 443 O SER A 218 0.931 4.787 -9.071 1.00 0.00 O ATOM 444 CB SER A 218 3.804 4.988 -9.525 1.00 0.00 C ATOM 445 OG SER A 218 5.018 5.651 -9.811 1.00 0.00 O ATOM 0 H SER A 218 4.698 5.100 -7.255 1.00 0.00 H new ATOM 0 HA SER A 218 2.803 6.716 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.007 3.953 -9.251 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.179 4.964 -10.418 1.00 0.00 H new ATOM 0 HG SER A 218 5.481 5.186 -10.539 1.00 0.00 H new ATOM 451 N ILE A 219 1.455 4.543 -6.890 1.00 0.00 N ATOM 452 CA ILE A 219 0.316 3.725 -6.472 1.00 0.00 C ATOM 453 C ILE A 219 -0.326 4.317 -5.204 1.00 0.00 C ATOM 454 O ILE A 219 -1.547 4.275 -5.070 1.00 0.00 O ATOM 455 CB ILE A 219 0.811 2.261 -6.308 1.00 0.00 C ATOM 456 CG1 ILE A 219 0.891 1.571 -7.690 1.00 0.00 C ATOM 457 CG2 ILE A 219 -0.053 1.466 -5.320 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.534 0.177 -7.674 1.00 0.00 C ATOM 0 H ILE A 219 2.071 4.773 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.476 3.723 -7.221 1.00 0.00 H new ATOM 0 HB ILE A 219 1.813 2.288 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.116 1.487 -8.098 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.457 2.210 -8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.331 0.449 -5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -0.022 1.946 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -1.082 1.438 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.547 -0.229 -8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.555 0.252 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.957 -0.482 -7.026 1.00 0.00 H new ATOM 470 N GLU A 220 0.486 4.919 -4.320 1.00 0.00 N ATOM 471 CA GLU A 220 0.106 5.715 -3.146 1.00 0.00 C ATOM 472 C GLU A 220 -0.480 4.911 -1.969 1.00 0.00 C ATOM 473 O GLU A 220 -0.144 5.213 -0.827 1.00 0.00 O ATOM 474 CB GLU A 220 -0.743 6.938 -3.579 1.00 0.00 C ATOM 475 CG GLU A 220 -2.191 7.030 -3.058 1.00 0.00 C ATOM 476 CD GLU A 220 -2.293 7.456 -1.588 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.683 8.492 -1.241 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.997 6.751 -0.831 1.00 0.00 O ATOM 0 H GLU A 220 1.500 4.856 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 220 1.030 6.095 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 220 -0.216 7.839 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.778 6.953 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.744 7.741 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.674 6.060 -3.180 1.00 0.00 H new ATOM 485 N TRP A 221 -1.292 3.879 -2.236 1.00 0.00 N ATOM 486 CA TRP A 221 -2.034 3.080 -1.264 1.00 0.00 C ATOM 487 C TRP A 221 -1.817 1.596 -1.578 1.00 0.00 C ATOM 488 O TRP A 221 -1.676 1.194 -2.732 1.00 0.00 O ATOM 489 CB TRP A 221 -3.514 3.477 -1.256 1.00 0.00 C ATOM 490 CG TRP A 221 -4.413 2.486 -1.870 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.787 2.462 -3.156 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.937 1.289 -1.251 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.451 1.279 -3.403 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.562 0.509 -2.259 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.872 0.767 0.053 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -6.114 -0.748 -1.973 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.445 -0.479 0.343 1.00 0.00 C ATOM 498 CH2 TRP A 221 -6.046 -1.244 -0.662 1.00 0.00 C ATOM 0 H TRP A 221 -1.455 3.565 -3.193 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.665 3.269 -0.256 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.827 3.644 -0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.626 4.426 -1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.599 3.241 -3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.815 1.006 -4.316 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.379 1.328 0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.586 -1.328 -2.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.422 -0.853 1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.457 -2.215 -0.429 1.00 0.00 H new ATOM 509 N PHE A 222 -1.833 0.778 -0.527 1.00 0.00 N ATOM 510 CA PHE A 222 -1.603 -0.659 -0.602 1.00 0.00 C ATOM 511 C PHE A 222 -2.420 -1.315 0.488 1.00 0.00 C ATOM 512 O PHE A 222 -2.655 -0.736 1.545 1.00 0.00 O ATOM 513 CB PHE A 222 -0.124 -1.001 -0.367 1.00 0.00 C ATOM 514 CG PHE A 222 0.808 -0.501 -1.445 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.248 0.833 -1.407 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.194 -1.343 -2.504 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.034 1.347 -2.443 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.013 -0.840 -3.528 1.00 0.00 C ATOM 519 CZ PHE A 222 2.424 0.504 -3.497 1.00 0.00 C ATOM 0 H PHE A 222 -2.011 1.107 0.422 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.887 -1.012 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.187 -0.580 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.022 -2.083 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.978 1.464 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.862 -2.370 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.339 2.383 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.326 -1.484 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.045 0.892 -4.291 1.00 0.00 H new ATOM 529 N HIS A 223 -2.847 -2.543 0.220 1.00 0.00 N ATOM 530 CA HIS A 223 -3.611 -3.323 1.171 1.00 0.00 C ATOM 531 C HIS A 223 -2.721 -3.841 2.307 1.00 0.00 C ATOM 532 O HIS A 223 -1.536 -4.115 2.125 1.00 0.00 O ATOM 533 CB HIS A 223 -4.253 -4.447 0.363 1.00 0.00 C ATOM 534 CG HIS A 223 -5.372 -5.215 0.993 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.707 -6.512 0.613 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.275 -4.756 1.908 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.780 -6.825 1.360 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.148 -5.789 2.137 1.00 0.00 N ATOM 0 H HIS A 223 -2.671 -3.021 -0.664 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.377 -2.726 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.625 -4.019 -0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.469 -5.156 0.097 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.298 -3.776 2.361 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.281 -7.782 1.339 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.937 -5.775 2.783 1.00 0.00 H new ATOM 546 N PHE A 224 -3.342 -4.012 3.476 1.00 0.00 N ATOM 547 CA PHE A 224 -2.805 -4.728 4.636 1.00 0.00 C ATOM 548 C PHE A 224 -2.474 -6.206 4.340 1.00 0.00 C ATOM 549 O PHE A 224 -1.912 -6.872 5.207 1.00 0.00 O ATOM 550 CB PHE A 224 -3.819 -4.640 5.794 1.00 0.00 C ATOM 551 CG PHE A 224 -3.511 -3.638 6.891 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.186 -2.300 6.587 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.664 -4.025 8.238 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.015 -1.364 7.625 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.512 -3.084 9.270 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.182 -1.754 8.964 1.00 0.00 C ATOM 0 H PHE A 224 -4.275 -3.638 3.648 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.864 -4.249 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.795 -4.397 5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.904 -5.627 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.068 -1.993 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.900 -5.051 8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.754 -0.342 7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.649 -3.384 10.299 1.00 0.00 H new ATOM 0 HZ PHE A 224 -3.057 -1.032 9.757 1.00 0.00 H new ATOM 566 N ALA A 225 -2.776 -6.708 3.131 1.00 0.00 N ATOM 567 CA ALA A 225 -2.368 -8.012 2.637 1.00 0.00 C ATOM 568 C ALA A 225 -1.592 -7.926 1.311 1.00 0.00 C ATOM 569 O ALA A 225 -1.101 -8.950 0.843 1.00 0.00 O ATOM 570 CB ALA A 225 -3.586 -8.936 2.546 1.00 0.00 C ATOM 0 H ALA A 225 -3.333 -6.188 2.453 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.666 -8.442 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.275 -9.913 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.032 -9.048 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.319 -8.506 1.864 1.00 0.00 H new ATOM 576 N CYS A 226 -1.422 -6.722 0.727 1.00 0.00 N ATOM 577 CA CYS A 226 -0.489 -6.487 -0.375 1.00 0.00 C ATOM 578 C CYS A 226 0.977 -6.529 0.103 1.00 0.00 C ATOM 579 O CYS A 226 1.884 -6.517 -0.727 1.00 0.00 O ATOM 580 CB CYS A 226 -0.797 -5.155 -1.042 1.00 0.00 C ATOM 581 SG CYS A 226 -2.132 -5.308 -2.262 1.00 0.00 S ATOM 0 H CYS A 226 -1.934 -5.887 1.013 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.617 -7.288 -1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.079 -4.425 -0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.101 -4.776 -1.531 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.077 -6.481 -2.820 1.00 0.00 H new ATOM 587 N VAL A 227 1.201 -6.602 1.424 1.00 0.00 N ATOM 588 CA VAL A 227 2.503 -6.793 2.066 1.00 0.00 C ATOM 589 C VAL A 227 2.442 -7.865 3.178 1.00 0.00 C ATOM 590 O VAL A 227 3.466 -8.213 3.762 1.00 0.00 O ATOM 591 CB VAL A 227 3.019 -5.425 2.558 1.00 0.00 C ATOM 592 CG1 VAL A 227 2.159 -4.897 3.716 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.507 -5.458 2.952 1.00 0.00 C ATOM 0 H VAL A 227 0.442 -6.526 2.101 1.00 0.00 H new ATOM 0 HA VAL A 227 3.219 -7.183 1.343 1.00 0.00 H new ATOM 0 HB VAL A 227 2.931 -4.738 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.544 -3.932 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.128 -4.782 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 227 2.194 -5.603 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.816 -4.469 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.655 -6.179 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.106 -5.749 2.089 1.00 0.00 H new ATOM 603 N GLY A 228 1.242 -8.390 3.465 1.00 0.00 N ATOM 604 CA GLY A 228 0.985 -9.325 4.559 1.00 0.00 C ATOM 605 C GLY A 228 1.138 -8.684 5.944 1.00 0.00 C ATOM 606 O GLY A 228 1.608 -9.351 6.865 1.00 0.00 O ATOM 0 H GLY A 228 0.405 -8.168 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.024 -9.724 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.671 -10.168 4.477 1.00 0.00 H new ATOM 610 N LEU A 229 0.797 -7.392 6.080 1.00 0.00 N ATOM 611 CA LEU A 229 0.995 -6.607 7.301 1.00 0.00 C ATOM 612 C LEU A 229 0.144 -7.126 8.464 1.00 0.00 C ATOM 613 O LEU A 229 0.680 -7.335 9.549 1.00 0.00 O ATOM 614 CB LEU A 229 0.665 -5.116 7.043 1.00 0.00 C ATOM 615 CG LEU A 229 1.892 -4.184 7.131 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.473 -2.774 6.688 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.521 -4.123 8.533 1.00 0.00 C ATOM 0 H LEU A 229 0.367 -6.856 5.326 1.00 0.00 H new ATOM 0 HA LEU A 229 2.044 -6.709 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.216 -5.018 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.082 -4.788 7.766 1.00 0.00 H new ATOM 0 HG LEU A 229 2.658 -4.595 6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.331 -2.105 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.108 -2.809 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.682 -2.407 7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.378 -3.449 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.783 -3.757 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.849 -5.120 8.829 1.00 0.00 H new ATOM 746 N TRP A 237 6.495 3.776 6.434 1.00 0.00 N ATOM 747 CA TRP A 237 6.290 2.489 5.776 1.00 0.00 C ATOM 748 C TRP A 237 6.578 2.635 4.277 1.00 0.00 C ATOM 749 O TRP A 237 6.424 3.712 3.699 1.00 0.00 O ATOM 750 CB TRP A 237 4.880 1.947 6.042 1.00 0.00 C ATOM 751 CG TRP A 237 4.590 0.602 5.431 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.974 -0.597 5.924 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.932 0.299 4.161 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.613 -1.605 5.052 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.984 -1.106 3.931 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.344 1.087 3.153 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.484 -1.689 2.754 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.848 0.514 1.966 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.897 -0.875 1.777 1.00 0.00 C ATOM 0 HA TRP A 237 6.984 1.757 6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.730 1.880 7.120 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.153 2.666 5.663 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.488 -0.745 6.862 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.790 -2.596 5.217 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.272 2.155 3.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.552 -2.756 2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.428 1.147 1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.484 -1.315 0.882 1.00 0.00 H new ATOM 770 N PHE A 238 6.977 1.526 3.647 1.00 0.00 N ATOM 771 CA PHE A 238 7.291 1.460 2.228 1.00 0.00 C ATOM 772 C PHE A 238 6.718 0.161 1.658 1.00 0.00 C ATOM 773 O PHE A 238 6.821 -0.896 2.281 1.00 0.00 O ATOM 774 CB PHE A 238 8.815 1.528 2.033 1.00 0.00 C ATOM 775 CG PHE A 238 9.460 2.830 2.480 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.326 3.996 1.702 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.184 2.886 3.688 1.00 0.00 C ATOM 778 CE1 PHE A 238 9.886 5.211 2.135 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.757 4.097 4.114 1.00 0.00 C ATOM 780 CZ PHE A 238 10.604 5.262 3.342 1.00 0.00 C ATOM 0 H PHE A 238 7.091 0.633 4.126 1.00 0.00 H new ATOM 0 HA PHE A 238 6.846 2.303 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.274 0.705 2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.039 1.372 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 238 8.789 3.957 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.299 1.996 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 238 9.764 6.104 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.316 4.133 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.037 6.193 3.676 1.00 0.00 H new ATOM 790 N CYS A 239 6.128 0.245 0.458 1.00 0.00 N ATOM 791 CA CYS A 239 5.595 -0.901 -0.270 1.00 0.00 C ATOM 792 C CYS A 239 6.697 -1.890 -0.682 1.00 0.00 C ATOM 793 O CYS A 239 7.872 -1.527 -0.619 1.00 0.00 O ATOM 794 CB CYS A 239 4.765 -0.352 -1.432 1.00 0.00 C ATOM 795 SG CYS A 239 5.766 0.303 -2.789 1.00 0.00 S ATOM 0 H CYS A 239 6.009 1.129 -0.037 1.00 0.00 H new ATOM 0 HA CYS A 239 4.946 -1.503 0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.122 -1.145 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.111 0.437 -1.060 1.00 0.00 H new ATOM 0 HG CYS A 239 4.986 0.709 -3.747 1.00 0.00 H new ATOM 801 N PRO A 240 6.359 -3.123 -1.121 1.00 0.00 N ATOM 802 CA PRO A 240 7.330 -4.123 -1.575 1.00 0.00 C ATOM 803 C PRO A 240 7.935 -3.796 -2.961 1.00 0.00 C ATOM 804 O PRO A 240 8.205 -4.698 -3.752 1.00 0.00 O ATOM 805 CB PRO A 240 6.578 -5.461 -1.512 1.00 0.00 C ATOM 806 CG PRO A 240 5.136 -5.061 -1.796 1.00 0.00 C ATOM 807 CD PRO A 240 5.023 -3.711 -1.094 1.00 0.00 C ATOM 0 HA PRO A 240 8.216 -4.149 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 240 6.953 -6.169 -2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.680 -5.935 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 240 4.941 -4.980 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.427 -5.787 -1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.304 -3.068 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.673 -3.834 -0.069 1.00 0.00 H new ATOM 815 N ARG A 241 8.159 -2.502 -3.249 1.00 0.00 N ATOM 816 CA ARG A 241 8.913 -2.007 -4.400 1.00 0.00 C ATOM 817 C ARG A 241 9.801 -0.838 -3.960 1.00 0.00 C ATOM 818 O ARG A 241 10.959 -0.752 -4.364 1.00 0.00 O ATOM 819 CB ARG A 241 7.965 -1.552 -5.525 1.00 0.00 C ATOM 820 CG ARG A 241 7.049 -2.662 -6.062 1.00 0.00 C ATOM 821 CD ARG A 241 6.184 -2.129 -7.208 1.00 0.00 C ATOM 822 NE ARG A 241 5.254 -3.156 -7.701 1.00 0.00 N ATOM 823 CZ ARG A 241 4.319 -2.969 -8.644 1.00 0.00 C ATOM 824 NH1 ARG A 241 4.150 -1.788 -9.241 1.00 0.00 N ATOM 825 NH2 ARG A 241 3.535 -3.988 -8.999 1.00 0.00 N ATOM 0 H ARG A 241 7.804 -1.749 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 241 9.533 -2.816 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.347 -0.733 -5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.560 -1.157 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.650 -3.502 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.412 -3.037 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.621 -1.260 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 241 6.824 -1.794 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 241 5.326 -4.088 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.741 -0.997 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 241 3.430 -1.676 -9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.650 -4.899 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 241 2.821 -3.856 -9.715 1.00 0.00 H new ATOM 839 N CYS A 242 9.266 0.022 -3.083 1.00 0.00 N ATOM 840 CA CYS A 242 9.941 1.100 -2.403 1.00 0.00 C ATOM 841 C CYS A 242 10.903 0.595 -1.315 1.00 0.00 C ATOM 842 O CYS A 242 11.907 1.251 -1.047 1.00 0.00 O ATOM 843 CB CYS A 242 8.814 1.909 -1.777 1.00 0.00 C ATOM 844 SG CYS A 242 7.990 2.969 -3.003 1.00 0.00 S ATOM 0 H CYS A 242 8.281 -0.034 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 242 10.559 1.678 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.085 1.233 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.212 2.526 -0.971 1.00 0.00 H new ATOM 0 HG CYS A 242 6.882 2.407 -3.388 1.00 0.00 H new