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= 0.0724 USER MOD Set 1.2: A 239 CYS SG : rot 170:sc= 0.286 USER MOD Set 1.3: A 242 CYS SG : rot 103:sc= 1.28 USER MOD Set 2.1: A 199 CYS SG : rot -119:sc= 1 USER MOD Set 2.2: A 201 CYS SG : rot 73:sc= 1.19 USER MOD Set 2.3: A 206 TYR OH : rot -51:sc= 0.178 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.709 X(o=3.7,f=3.8) USER MOD Set 2.5: A 226 CYS SG : rot 84:sc= 2.07 USER MOD Single : A 197 THR OG1 : rot -28:sc= 0.0388 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.21) USER MOD Single : A 203 GLN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 177:sc= 0 (180deg=-0.00844) USER MOD Single : A 217 CYS SG : rot 120:sc= 0.5 USER MOD Single : A 218 SER OG : rot -39:sc= 0.333 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.419 2.843 -8.576 1.00 0.00 N ATOM 149 CA THR A 197 -7.763 1.558 -8.330 1.00 0.00 C ATOM 150 C THR A 197 -6.243 1.750 -8.358 1.00 0.00 C ATOM 151 O THR A 197 -5.760 2.513 -9.196 1.00 0.00 O ATOM 152 CB THR A 197 -8.188 0.541 -9.405 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.871 0.963 -10.716 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.689 0.230 -9.372 1.00 0.00 C ATOM 0 HA THR A 197 -8.059 1.179 -7.352 1.00 0.00 H new ATOM 0 HB THR A 197 -7.620 -0.356 -9.158 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.859 1.942 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.928 -0.493 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.953 -0.185 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.254 1.147 -9.541 1.00 0.00 H new ATOM 162 N TYR A 198 -5.487 1.088 -7.456 1.00 0.00 N ATOM 163 CA TYR A 198 -4.041 1.341 -7.366 1.00 0.00 C ATOM 164 C TYR A 198 -3.201 0.204 -6.762 1.00 0.00 C ATOM 165 O TYR A 198 -2.109 0.003 -7.296 1.00 0.00 O ATOM 166 CB TYR A 198 -3.691 2.637 -6.607 1.00 0.00 C ATOM 167 CG TYR A 198 -4.534 3.894 -6.800 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.819 4.000 -6.228 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.994 4.997 -7.492 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.559 5.189 -6.337 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.723 6.194 -7.601 1.00 0.00 C ATOM 172 CZ TYR A 198 -6.007 6.299 -7.017 1.00 0.00 C ATOM 173 OH TYR A 198 -6.705 7.467 -7.106 1.00 0.00 O ATOM 0 H TYR A 198 -5.845 0.394 -6.799 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.773 1.432 -8.419 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.703 2.401 -5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.664 2.895 -6.865 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -6.239 3.157 -5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -3.015 4.922 -7.941 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.546 5.255 -5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.302 7.035 -8.132 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.178 8.125 -7.606 1.00 0.00 H new ATOM 183 N CYS A 199 -3.632 -0.542 -5.710 1.00 0.00 N ATOM 184 CA CYS A 199 -2.863 -1.733 -5.284 1.00 0.00 C ATOM 185 C CYS A 199 -2.604 -2.702 -6.448 1.00 0.00 C ATOM 186 O CYS A 199 -3.156 -2.596 -7.543 1.00 0.00 O ATOM 187 CB CYS A 199 -3.398 -2.519 -4.054 1.00 0.00 C ATOM 188 SG CYS A 199 -1.922 -3.139 -3.164 1.00 0.00 S ATOM 0 H CYS A 199 -4.472 -0.349 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.929 -1.287 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.998 -1.875 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.039 -3.343 -4.367 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.954 -4.438 -3.122 1.00 0.00 H new ATOM 193 N LEU A 200 -1.812 -3.725 -6.134 1.00 0.00 N ATOM 194 CA LEU A 200 -1.550 -4.889 -6.974 1.00 0.00 C ATOM 195 C LEU A 200 -2.834 -5.691 -7.231 1.00 0.00 C ATOM 196 O LEU A 200 -2.823 -6.641 -8.011 1.00 0.00 O ATOM 197 CB LEU A 200 -0.492 -5.796 -6.309 1.00 0.00 C ATOM 198 CG LEU A 200 0.670 -5.068 -5.600 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.583 -6.083 -4.901 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.502 -4.204 -6.562 1.00 0.00 C ATOM 0 H LEU A 200 -1.313 -3.766 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.172 -4.533 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.994 -6.434 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.073 -6.452 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 200 0.222 -4.400 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.399 -5.557 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.008 -6.641 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.992 -6.773 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.305 -3.715 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.929 -4.835 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.863 -3.448 -7.018 1.00 0.00 H new ATOM 212 N CYS A 201 -3.931 -5.300 -6.566 1.00 0.00 N ATOM 213 CA CYS A 201 -5.237 -5.889 -6.664 1.00 0.00 C ATOM 214 C CYS A 201 -6.173 -5.103 -7.592 1.00 0.00 C ATOM 215 O CYS A 201 -7.251 -5.603 -7.908 1.00 0.00 O ATOM 216 CB CYS A 201 -5.806 -5.843 -5.259 1.00 0.00 C ATOM 217 SG CYS A 201 -4.976 -7.009 -4.150 1.00 0.00 S ATOM 0 H CYS A 201 -3.909 -4.517 -5.912 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.157 -6.895 -7.076 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.708 -4.833 -4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.871 -6.071 -5.292 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.784 -6.571 -3.873 1.00 0.00 H new ATOM 222 N HIS A 202 -5.771 -3.879 -7.979 1.00 0.00 N ATOM 223 CA HIS A 202 -6.531 -2.906 -8.756 1.00 0.00 C ATOM 224 C HIS A 202 -7.978 -2.762 -8.258 1.00 0.00 C ATOM 225 O HIS A 202 -8.930 -2.827 -9.034 1.00 0.00 O ATOM 226 CB HIS A 202 -6.359 -3.143 -10.269 1.00 0.00 C ATOM 227 CG HIS A 202 -6.788 -4.503 -10.767 1.00 0.00 C ATOM 228 ND1 HIS A 202 -8.074 -4.910 -11.030 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.969 -5.572 -11.020 1.00 0.00 C ATOM 230 CE1 HIS A 202 -8.027 -6.194 -11.423 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.762 -6.646 -11.435 1.00 0.00 N ATOM 0 H HIS A 202 -4.844 -3.528 -7.737 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.110 -1.915 -8.585 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.928 -2.383 -10.805 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.310 -2.996 -10.525 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.894 -5.583 -10.916 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.891 -6.784 -11.693 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.445 -7.580 -11.694 1.00 0.00 H new ATOM 239 N GLN A 203 -8.122 -2.587 -6.935 1.00 0.00 N ATOM 240 CA GLN A 203 -9.381 -2.358 -6.244 1.00 0.00 C ATOM 241 C GLN A 203 -9.064 -1.825 -4.846 1.00 0.00 C ATOM 242 O GLN A 203 -8.052 -2.193 -4.257 1.00 0.00 O ATOM 243 CB GLN A 203 -10.225 -3.647 -6.172 1.00 0.00 C ATOM 244 CG GLN A 203 -9.612 -4.740 -5.285 1.00 0.00 C ATOM 245 CD GLN A 203 -10.250 -6.104 -5.528 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.138 -6.522 -4.791 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.795 -6.813 -6.562 1.00 0.00 N ATOM 0 H GLN A 203 -7.325 -2.604 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.976 -1.629 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.217 -3.400 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.356 -4.041 -7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.541 -4.803 -5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.733 -4.466 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.056 -6.435 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.186 -7.734 -6.761 1.00 0.00 H new ATOM 256 N VAL A 204 -9.961 -0.978 -4.341 1.00 0.00 N ATOM 257 CA VAL A 204 -9.929 -0.328 -3.016 1.00 0.00 C ATOM 258 C VAL A 204 -11.304 -0.466 -2.318 1.00 0.00 C ATOM 259 O VAL A 204 -12.246 -0.998 -2.906 1.00 0.00 O ATOM 260 CB VAL A 204 -9.424 1.145 -3.090 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.669 1.549 -1.800 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.482 1.405 -4.278 1.00 0.00 C ATOM 0 H VAL A 204 -10.786 -0.705 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.197 -0.847 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.326 1.744 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.330 2.582 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.336 1.455 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.808 0.895 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -8.167 2.449 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.606 0.761 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -9.004 1.190 -5.210 1.00 0.00 H new ATOM 272 N SER A 205 -11.410 -0.004 -1.059 1.00 0.00 N ATOM 273 CA SER A 205 -12.589 -0.113 -0.186 1.00 0.00 C ATOM 274 C SER A 205 -12.982 -1.571 0.129 1.00 0.00 C ATOM 275 O SER A 205 -14.054 -2.038 -0.255 1.00 0.00 O ATOM 276 CB SER A 205 -13.739 0.752 -0.727 1.00 0.00 C ATOM 277 OG SER A 205 -14.789 0.822 0.215 1.00 0.00 O ATOM 0 H SER A 205 -10.637 0.479 -0.602 1.00 0.00 H new ATOM 0 HA SER A 205 -12.324 0.293 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.374 1.755 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 205 -14.109 0.332 -1.663 1.00 0.00 H new ATOM 0 HG SER A 205 -15.513 1.377 -0.143 1.00 0.00 H new ATOM 283 N TYR A 206 -12.076 -2.291 0.810 1.00 0.00 N ATOM 284 CA TYR A 206 -12.157 -3.720 1.117 1.00 0.00 C ATOM 285 C TYR A 206 -11.201 -4.042 2.278 1.00 0.00 C ATOM 286 O TYR A 206 -9.981 -3.938 2.139 1.00 0.00 O ATOM 287 CB TYR A 206 -11.872 -4.596 -0.130 1.00 0.00 C ATOM 288 CG TYR A 206 -10.478 -4.565 -0.758 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.801 -3.347 -0.947 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.863 -5.758 -1.202 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.544 -3.313 -1.538 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.598 -5.728 -1.828 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.938 -4.489 -2.001 1.00 0.00 C ATOM 294 OH TYR A 206 -6.743 -4.362 -2.640 1.00 0.00 O ATOM 0 H TYR A 206 -11.225 -1.866 1.178 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.175 -3.959 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.088 -5.630 0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.587 -4.311 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.265 -2.425 -0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.367 -6.703 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -8.028 -2.370 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.138 -6.643 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.817 -3.681 -3.341 1.00 0.00 H new ATOM 304 N GLY A 207 -11.778 -4.407 3.432 1.00 0.00 N ATOM 305 CA GLY A 207 -11.082 -4.602 4.692 1.00 0.00 C ATOM 306 C GLY A 207 -10.511 -3.274 5.180 1.00 0.00 C ATOM 307 O GLY A 207 -11.250 -2.366 5.560 1.00 0.00 O ATOM 0 H GLY A 207 -12.781 -4.579 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.766 -5.009 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.279 -5.329 4.566 1.00 0.00 H new ATOM 311 N GLU A 208 -9.183 -3.192 5.125 1.00 0.00 N ATOM 312 CA GLU A 208 -8.362 -2.065 5.534 1.00 0.00 C ATOM 313 C GLU A 208 -7.258 -1.775 4.505 1.00 0.00 C ATOM 314 O GLU A 208 -6.983 -2.584 3.619 1.00 0.00 O ATOM 315 CB GLU A 208 -7.827 -2.333 6.949 1.00 0.00 C ATOM 316 CG GLU A 208 -6.695 -3.363 7.070 1.00 0.00 C ATOM 317 CD GLU A 208 -7.142 -4.794 6.760 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.674 -5.439 7.690 1.00 0.00 O ATOM 319 OE2 GLU A 208 -6.966 -5.221 5.597 1.00 0.00 O ATOM 0 H GLU A 208 -8.620 -3.964 4.769 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.961 -1.155 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.475 -1.389 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.658 -2.665 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.888 -3.087 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.288 -3.328 8.080 1.00 0.00 H new ATOM 326 N MET A 209 -6.636 -0.596 4.628 1.00 0.00 N ATOM 327 CA MET A 209 -5.738 -0.019 3.628 1.00 0.00 C ATOM 328 C MET A 209 -4.516 0.627 4.292 1.00 0.00 C ATOM 329 O MET A 209 -4.569 1.017 5.460 1.00 0.00 O ATOM 330 CB MET A 209 -6.527 1.025 2.811 1.00 0.00 C ATOM 331 CG MET A 209 -7.625 0.426 1.911 1.00 0.00 C ATOM 332 SD MET A 209 -9.274 0.171 2.630 1.00 0.00 S ATOM 333 CE MET A 209 -9.850 1.885 2.743 1.00 0.00 C ATOM 0 H MET A 209 -6.749 -0.003 5.450 1.00 0.00 H new ATOM 0 HA MET A 209 -5.370 -0.807 2.971 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.985 1.737 3.498 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.829 1.586 2.189 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.736 1.076 1.043 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.268 -0.537 1.545 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.874 1.901 3.117 1.00 0.00 H new ATOM 0 HE2 MET A 209 -9.206 2.441 3.424 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.818 2.346 1.756 1.00 0.00 H new ATOM 343 N ILE A 210 -3.423 0.760 3.522 1.00 0.00 N ATOM 344 CA ILE A 210 -2.199 1.434 3.916 1.00 0.00 C ATOM 345 C ILE A 210 -1.786 2.331 2.742 1.00 0.00 C ATOM 346 O ILE A 210 -2.625 3.040 2.186 1.00 0.00 O ATOM 347 CB ILE A 210 -1.166 0.408 4.469 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.038 1.091 5.149 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.713 -0.716 3.519 1.00 0.00 C ATOM 350 CD1 ILE A 210 0.724 0.241 6.221 1.00 0.00 C ATOM 0 H ILE A 210 -3.378 0.383 2.575 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.311 2.106 4.767 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.750 -0.120 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.771 1.352 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -0.297 2.024 5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.005 -1.357 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.577 -1.308 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.246 -0.280 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.559 0.797 6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.009 0.001 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 210 1.093 -0.681 5.773 1.00 0.00 H new ATOM 362 N GLY A 211 -0.504 2.336 2.396 1.00 0.00 N ATOM 363 CA GLY A 211 0.100 3.248 1.449 1.00 0.00 C ATOM 364 C GLY A 211 1.540 3.584 1.782 1.00 0.00 C ATOM 365 O GLY A 211 1.862 3.924 2.920 1.00 0.00 O ATOM 0 H GLY A 211 0.166 1.674 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.057 2.809 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.483 4.168 1.417 1.00 0.00 H new ATOM 369 N CYS A 212 2.389 3.489 0.751 1.00 0.00 N ATOM 370 CA CYS A 212 3.804 3.830 0.829 1.00 0.00 C ATOM 371 C CYS A 212 3.935 5.332 1.080 1.00 0.00 C ATOM 372 O CYS A 212 3.438 6.141 0.297 1.00 0.00 O ATOM 373 CB CYS A 212 4.588 3.398 -0.424 1.00 0.00 C ATOM 374 SG CYS A 212 6.343 3.838 -0.191 1.00 0.00 S ATOM 0 H CYS A 212 2.101 3.167 -0.173 1.00 0.00 H new ATOM 0 HA CYS A 212 4.247 3.278 1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.485 2.325 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.188 3.892 -1.310 1.00 0.00 H new ATOM 0 HG CYS A 212 7.026 3.463 -1.232 1.00 0.00 H new ATOM 379 N ASP A 213 4.633 5.673 2.170 1.00 0.00 N ATOM 380 CA ASP A 213 4.899 7.035 2.619 1.00 0.00 C ATOM 381 C ASP A 213 5.809 7.833 1.663 1.00 0.00 C ATOM 382 O ASP A 213 6.068 9.004 1.934 1.00 0.00 O ATOM 383 CB ASP A 213 5.511 6.968 4.025 1.00 0.00 C ATOM 384 CG ASP A 213 4.510 6.521 5.096 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.160 5.319 5.102 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.139 7.380 5.922 1.00 0.00 O ATOM 0 H ASP A 213 5.044 4.972 2.787 1.00 0.00 H new ATOM 0 HA ASP A 213 3.952 7.575 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.355 6.278 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.904 7.949 4.291 1.00 0.00 H new ATOM 391 N ASP A 214 6.294 7.230 0.564 1.00 0.00 N ATOM 392 CA ASP A 214 6.963 7.930 -0.523 1.00 0.00 C ATOM 393 C ASP A 214 5.929 8.833 -1.225 1.00 0.00 C ATOM 394 O ASP A 214 4.977 8.303 -1.801 1.00 0.00 O ATOM 395 CB ASP A 214 7.539 6.874 -1.481 1.00 0.00 C ATOM 396 CG ASP A 214 8.182 7.441 -2.747 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.622 8.613 -2.711 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.222 6.679 -3.736 1.00 0.00 O ATOM 0 H ASP A 214 6.226 6.224 0.413 1.00 0.00 H new ATOM 0 HA ASP A 214 7.779 8.558 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.283 6.285 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 214 6.740 6.192 -1.770 1.00 0.00 H new ATOM 403 N PRO A 215 6.087 10.174 -1.206 1.00 0.00 N ATOM 404 CA PRO A 215 5.159 11.104 -1.851 1.00 0.00 C ATOM 405 C PRO A 215 5.337 11.169 -3.379 1.00 0.00 C ATOM 406 O PRO A 215 4.663 11.962 -4.036 1.00 0.00 O ATOM 407 CB PRO A 215 5.437 12.454 -1.185 1.00 0.00 C ATOM 408 CG PRO A 215 6.942 12.392 -0.931 1.00 0.00 C ATOM 409 CD PRO A 215 7.165 10.923 -0.570 1.00 0.00 C ATOM 0 HA PRO A 215 4.125 10.784 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.169 13.289 -1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.874 12.574 -0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.513 12.683 -1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.243 13.057 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.137 10.580 -0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.151 10.782 0.511 1.00 0.00 H new ATOM 417 N ASP A 216 6.212 10.319 -3.934 1.00 0.00 N ATOM 418 CA ASP A 216 6.442 10.141 -5.361 1.00 0.00 C ATOM 419 C ASP A 216 6.090 8.703 -5.787 1.00 0.00 C ATOM 420 O ASP A 216 6.297 8.344 -6.946 1.00 0.00 O ATOM 421 CB ASP A 216 7.896 10.533 -5.676 1.00 0.00 C ATOM 422 CG ASP A 216 8.167 10.682 -7.175 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.505 11.543 -7.795 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.048 9.948 -7.676 1.00 0.00 O ATOM 0 H ASP A 216 6.803 9.711 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 216 5.789 10.791 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.129 11.473 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.567 9.778 -5.265 1.00 0.00 H new ATOM 429 N CYS A 217 5.525 7.887 -4.875 1.00 0.00 N ATOM 430 CA CYS A 217 5.001 6.570 -5.207 1.00 0.00 C ATOM 431 C CYS A 217 3.902 6.685 -6.274 1.00 0.00 C ATOM 432 O CYS A 217 2.955 7.460 -6.131 1.00 0.00 O ATOM 433 CB CYS A 217 4.450 5.927 -3.939 1.00 0.00 C ATOM 434 SG CYS A 217 3.878 4.245 -4.271 1.00 0.00 S ATOM 0 H CYS A 217 5.425 8.133 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 217 5.799 5.949 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.222 5.908 -3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.627 6.526 -3.550 1.00 0.00 H new ATOM 0 HG CYS A 217 4.545 3.407 -3.535 1.00 0.00 H new ATOM 440 N SER A 218 4.033 5.869 -7.324 1.00 0.00 N ATOM 441 CA SER A 218 3.161 5.843 -8.502 1.00 0.00 C ATOM 442 C SER A 218 1.800 5.160 -8.249 1.00 0.00 C ATOM 443 O SER A 218 1.009 5.005 -9.180 1.00 0.00 O ATOM 444 CB SER A 218 3.924 5.144 -9.637 1.00 0.00 C ATOM 445 OG SER A 218 3.281 5.333 -10.879 1.00 0.00 O ATOM 0 H SER A 218 4.782 5.179 -7.379 1.00 0.00 H new ATOM 0 HA SER A 218 2.916 6.871 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.941 5.533 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 218 4.001 4.078 -9.424 1.00 0.00 H new ATOM 0 HG SER A 218 2.310 5.274 -10.757 1.00 0.00 H new ATOM 451 N ILE A 219 1.536 4.736 -7.005 1.00 0.00 N ATOM 452 CA ILE A 219 0.378 3.938 -6.595 1.00 0.00 C ATOM 453 C ILE A 219 -0.242 4.518 -5.308 1.00 0.00 C ATOM 454 O ILE A 219 -1.464 4.521 -5.177 1.00 0.00 O ATOM 455 CB ILE A 219 0.832 2.457 -6.462 1.00 0.00 C ATOM 456 CG1 ILE A 219 0.869 1.785 -7.853 1.00 0.00 C ATOM 457 CG2 ILE A 219 -0.039 1.673 -5.472 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.462 0.369 -7.864 1.00 0.00 C ATOM 0 H ILE A 219 2.154 4.952 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.415 3.975 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 219 1.841 2.449 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.146 1.743 -8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.449 2.413 -8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.315 0.644 -5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.022 2.136 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -1.074 1.681 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.448 -0.024 -8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.490 0.402 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.870 -0.278 -7.217 1.00 0.00 H new ATOM 470 N GLU A 220 0.597 5.053 -4.408 1.00 0.00 N ATOM 471 CA GLU A 220 0.259 5.805 -3.191 1.00 0.00 C ATOM 472 C GLU A 220 -0.351 4.971 -2.047 1.00 0.00 C ATOM 473 O GLU A 220 0.055 5.164 -0.904 1.00 0.00 O ATOM 474 CB GLU A 220 -0.522 7.094 -3.553 1.00 0.00 C ATOM 475 CG GLU A 220 -1.949 7.249 -2.993 1.00 0.00 C ATOM 476 CD GLU A 220 -1.992 7.591 -1.498 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.328 8.578 -1.112 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.702 6.871 -0.764 1.00 0.00 O ATOM 0 H GLU A 220 1.607 4.964 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 220 1.202 6.116 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.065 7.948 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.580 7.157 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.465 8.031 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.498 6.322 -3.160 1.00 0.00 H new ATOM 485 N TRP A 221 -1.254 4.023 -2.342 1.00 0.00 N ATOM 486 CA TRP A 221 -1.963 3.178 -1.381 1.00 0.00 C ATOM 487 C TRP A 221 -1.764 1.707 -1.773 1.00 0.00 C ATOM 488 O TRP A 221 -1.679 1.361 -2.950 1.00 0.00 O ATOM 489 CB TRP A 221 -3.439 3.581 -1.277 1.00 0.00 C ATOM 490 CG TRP A 221 -4.358 2.680 -1.987 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.743 2.797 -3.266 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.853 1.411 -1.507 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.364 1.628 -3.646 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.412 0.716 -2.610 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.771 0.744 -0.269 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.830 -0.614 -2.500 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.251 -0.567 -0.142 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.732 -1.261 -1.257 1.00 0.00 C ATOM 0 H TRP A 221 -1.519 3.819 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.551 3.317 -0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.722 3.616 -0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.558 4.590 -1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.591 3.663 -3.893 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.742 1.457 -4.578 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.337 1.244 0.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.223 -1.137 -3.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.249 -1.046 0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.028 -2.295 -1.162 1.00 0.00 H new ATOM 509 N PHE A 222 -1.726 0.837 -0.765 1.00 0.00 N ATOM 510 CA PHE A 222 -1.456 -0.591 -0.917 1.00 0.00 C ATOM 511 C PHE A 222 -2.244 -1.352 0.133 1.00 0.00 C ATOM 512 O PHE A 222 -2.611 -0.801 1.169 1.00 0.00 O ATOM 513 CB PHE A 222 0.030 -0.893 -0.691 1.00 0.00 C ATOM 514 CG PHE A 222 0.943 -0.377 -1.775 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.369 0.959 -1.734 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.342 -1.213 -2.834 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.175 1.473 -2.752 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.170 -0.705 -3.847 1.00 0.00 C ATOM 519 CZ PHE A 222 2.588 0.635 -3.800 1.00 0.00 C ATOM 0 H PHE A 222 -1.886 1.113 0.204 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.740 -0.889 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.336 -0.459 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.160 -1.972 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.072 1.593 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.013 -2.241 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.479 2.509 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.485 -1.342 -4.660 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.232 1.023 -4.575 1.00 0.00 H new ATOM 529 N HIS A 223 -2.489 -2.633 -0.135 1.00 0.00 N ATOM 530 CA HIS A 223 -3.308 -3.461 0.722 1.00 0.00 C ATOM 531 C HIS A 223 -2.460 -4.022 1.864 1.00 0.00 C ATOM 532 O HIS A 223 -1.309 -4.412 1.668 1.00 0.00 O ATOM 533 CB HIS A 223 -3.968 -4.536 -0.149 1.00 0.00 C ATOM 534 CG HIS A 223 -5.224 -5.150 0.403 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.642 -6.450 0.122 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.179 -4.519 1.147 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.821 -6.584 0.753 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.170 -5.440 1.370 1.00 0.00 N ATOM 0 H HIS A 223 -2.122 -3.118 -0.954 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.104 -2.890 1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.198 -4.098 -1.120 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.243 -5.332 -0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.158 -3.496 1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.410 -7.489 0.764 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.022 -5.285 1.909 1.00 0.00 H new ATOM 546 N PHE A 224 -3.074 -4.086 3.048 1.00 0.00 N ATOM 547 CA PHE A 224 -2.582 -4.760 4.250 1.00 0.00 C ATOM 548 C PHE A 224 -2.331 -6.264 4.039 1.00 0.00 C ATOM 549 O PHE A 224 -1.757 -6.895 4.920 1.00 0.00 O ATOM 550 CB PHE A 224 -3.621 -4.574 5.370 1.00 0.00 C ATOM 551 CG PHE A 224 -3.202 -3.655 6.498 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.213 -2.261 6.311 1.00 0.00 C ATOM 553 CD2 PHE A 224 -2.886 -4.189 7.762 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.925 -1.403 7.388 1.00 0.00 C ATOM 555 CE2 PHE A 224 -2.595 -3.332 8.836 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.620 -1.939 8.649 1.00 0.00 C ATOM 0 H PHE A 224 -3.980 -3.643 3.201 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.623 -4.313 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.539 -4.186 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -3.857 -5.552 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.443 -1.849 5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -2.867 -5.259 7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.939 -0.333 7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.352 -3.743 9.805 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.404 -1.280 9.477 1.00 0.00 H new ATOM 566 N ALA A 225 -2.732 -6.836 2.895 1.00 0.00 N ATOM 567 CA ALA A 225 -2.455 -8.209 2.513 1.00 0.00 C ATOM 568 C ALA A 225 -1.613 -8.296 1.230 1.00 0.00 C ATOM 569 O ALA A 225 -1.148 -9.386 0.899 1.00 0.00 O ATOM 570 CB ALA A 225 -3.772 -8.981 2.396 1.00 0.00 C ATOM 0 H ALA A 225 -3.275 -6.331 2.194 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.850 -8.672 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.565 -10.012 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.288 -8.968 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.402 -8.513 1.639 1.00 0.00 H new ATOM 576 N CYS A 226 -1.357 -7.168 0.541 1.00 0.00 N ATOM 577 CA CYS A 226 -0.376 -7.097 -0.539 1.00 0.00 C ATOM 578 C CYS A 226 1.069 -7.020 -0.012 1.00 0.00 C ATOM 579 O CYS A 226 2.009 -7.029 -0.806 1.00 0.00 O ATOM 580 CB CYS A 226 -0.708 -5.922 -1.441 1.00 0.00 C ATOM 581 SG CYS A 226 -1.903 -6.459 -2.693 1.00 0.00 S ATOM 0 H CYS A 226 -1.830 -6.283 0.724 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.433 -8.019 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.121 -5.102 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.197 -5.548 -1.920 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.105 -6.389 -2.203 1.00 0.00 H new ATOM 587 N VAL A 227 1.233 -6.984 1.317 1.00 0.00 N ATOM 588 CA VAL A 227 2.498 -7.046 2.049 1.00 0.00 C ATOM 589 C VAL A 227 2.444 -8.091 3.183 1.00 0.00 C ATOM 590 O VAL A 227 3.459 -8.377 3.816 1.00 0.00 O ATOM 591 CB VAL A 227 2.854 -5.626 2.539 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.805 -5.093 3.532 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.266 -5.544 3.143 1.00 0.00 C ATOM 0 H VAL A 227 0.434 -6.906 1.946 1.00 0.00 H new ATOM 0 HA VAL A 227 3.297 -7.386 1.390 1.00 0.00 H new ATOM 0 HB VAL A 227 2.846 -4.988 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.087 -4.091 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.830 -5.056 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.754 -5.754 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.463 -4.523 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.337 -6.219 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.001 -5.832 2.391 1.00 0.00 H new ATOM 603 N GLY A 228 1.263 -8.676 3.422 1.00 0.00 N ATOM 604 CA GLY A 228 1.009 -9.625 4.499 1.00 0.00 C ATOM 605 C GLY A 228 1.110 -8.996 5.894 1.00 0.00 C ATOM 606 O GLY A 228 1.596 -9.658 6.812 1.00 0.00 O ATOM 0 H GLY A 228 0.438 -8.493 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 228 0.014 -10.052 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.721 -10.447 4.426 1.00 0.00 H new ATOM 610 N LEU A 229 0.696 -7.726 6.054 1.00 0.00 N ATOM 611 CA LEU A 229 0.670 -7.062 7.358 1.00 0.00 C ATOM 612 C LEU A 229 -0.361 -7.710 8.294 1.00 0.00 C ATOM 613 O LEU A 229 -1.342 -8.313 7.857 1.00 0.00 O ATOM 614 CB LEU A 229 0.396 -5.547 7.214 1.00 0.00 C ATOM 615 CG LEU A 229 1.663 -4.669 7.133 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.232 -3.216 6.895 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.539 -4.728 8.395 1.00 0.00 C ATOM 0 H LEU A 229 0.373 -7.139 5.285 1.00 0.00 H new ATOM 0 HA LEU A 229 1.657 -7.186 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.202 -5.383 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.205 -5.218 8.062 1.00 0.00 H new ATOM 0 HG LEU A 229 2.269 -5.056 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.115 -2.580 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.673 -3.150 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.601 -2.884 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.410 -4.086 8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.962 -4.386 9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.866 -5.754 8.563 1.00 0.00 H new ATOM 746 N TRP A 237 6.078 3.572 6.452 1.00 0.00 N ATOM 747 CA TRP A 237 6.017 2.280 5.772 1.00 0.00 C ATOM 748 C TRP A 237 6.402 2.439 4.290 1.00 0.00 C ATOM 749 O TRP A 237 6.393 3.543 3.742 1.00 0.00 O ATOM 750 CB TRP A 237 4.614 1.691 5.968 1.00 0.00 C ATOM 751 CG TRP A 237 4.333 0.360 5.329 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.574 -0.855 5.869 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.768 0.091 4.011 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.201 -1.846 4.982 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.697 -1.317 3.812 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.352 0.909 2.944 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.224 -1.873 2.612 1.00 0.00 C ATOM 758 CZ3 TRP A 237 2.885 0.362 1.733 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.797 -1.028 1.580 1.00 0.00 C ATOM 0 HA TRP A 237 6.737 1.582 6.199 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.434 1.597 7.039 1.00 0.00 H new ATOM 0 HB3 TRP A 237 3.889 2.409 5.585 1.00 0.00 H new ATOM 0 HD1 TRP A 237 4.996 -1.026 6.849 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.288 -2.845 5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.392 1.982 3.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.190 -2.945 2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.595 1.014 0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.400 -1.447 0.667 1.00 0.00 H new ATOM 770 N PHE A 238 6.736 1.315 3.644 1.00 0.00 N ATOM 771 CA PHE A 238 7.129 1.245 2.241 1.00 0.00 C ATOM 772 C PHE A 238 6.485 0.014 1.601 1.00 0.00 C ATOM 773 O PHE A 238 6.439 -1.051 2.218 1.00 0.00 O ATOM 774 CB PHE A 238 8.657 1.119 2.123 1.00 0.00 C ATOM 775 CG PHE A 238 9.472 2.250 2.724 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.889 2.178 4.068 1.00 0.00 C ATOM 777 CD2 PHE A 238 9.871 3.341 1.929 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.708 3.184 4.608 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.703 4.339 2.465 1.00 0.00 C ATOM 780 CZ PHE A 238 11.124 4.260 3.804 1.00 0.00 C ATOM 0 H PHE A 238 6.739 0.404 4.102 1.00 0.00 H new ATOM 0 HA PHE A 238 6.801 2.153 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 238 8.962 0.187 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 238 8.913 1.036 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.578 1.348 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.537 3.411 0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 238 11.018 3.131 5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.019 5.167 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.766 5.025 4.215 1.00 0.00 H new ATOM 790 N CYS A 239 6.030 0.143 0.346 1.00 0.00 N ATOM 791 CA CYS A 239 5.512 -0.970 -0.434 1.00 0.00 C ATOM 792 C CYS A 239 6.605 -1.994 -0.775 1.00 0.00 C ATOM 793 O CYS A 239 7.786 -1.659 -0.696 1.00 0.00 O ATOM 794 CB CYS A 239 4.787 -0.388 -1.648 1.00 0.00 C ATOM 795 SG CYS A 239 5.891 0.321 -2.892 1.00 0.00 S ATOM 0 H CYS A 239 6.015 1.033 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 239 4.794 -1.550 0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.189 -1.172 -2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.094 0.383 -1.310 1.00 0.00 H new ATOM 0 HG CYS A 239 5.212 0.602 -3.965 1.00 0.00 H new ATOM 801 N PRO A 240 6.239 -3.232 -1.179 1.00 0.00 N ATOM 802 CA PRO A 240 7.186 -4.278 -1.577 1.00 0.00 C ATOM 803 C PRO A 240 7.822 -4.018 -2.962 1.00 0.00 C ATOM 804 O PRO A 240 8.075 -4.957 -3.715 1.00 0.00 O ATOM 805 CB PRO A 240 6.386 -5.586 -1.488 1.00 0.00 C ATOM 806 CG PRO A 240 4.973 -5.142 -1.842 1.00 0.00 C ATOM 807 CD PRO A 240 4.882 -3.772 -1.180 1.00 0.00 C ATOM 0 HA PRO A 240 8.058 -4.313 -0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 240 6.760 -6.337 -2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.435 -6.023 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 240 4.825 -5.082 -2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.222 -5.831 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.203 -3.119 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.495 -3.855 -0.165 1.00 0.00 H new ATOM 815 N ARG A 241 8.088 -2.743 -3.290 1.00 0.00 N ATOM 816 CA ARG A 241 8.866 -2.300 -4.447 1.00 0.00 C ATOM 817 C ARG A 241 9.791 -1.146 -4.044 1.00 0.00 C ATOM 818 O ARG A 241 10.929 -1.084 -4.501 1.00 0.00 O ATOM 819 CB ARG A 241 7.947 -1.875 -5.605 1.00 0.00 C ATOM 820 CG ARG A 241 7.097 -3.032 -6.151 1.00 0.00 C ATOM 821 CD ARG A 241 6.323 -2.592 -7.398 1.00 0.00 C ATOM 822 NE ARG A 241 5.486 -3.678 -7.933 1.00 0.00 N ATOM 823 CZ ARG A 241 5.911 -4.694 -8.701 1.00 0.00 C ATOM 824 NH1 ARG A 241 7.192 -4.829 -9.054 1.00 0.00 N ATOM 825 NH2 ARG A 241 5.030 -5.599 -9.128 1.00 0.00 N ATOM 0 H ARG A 241 7.749 -1.962 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 241 9.472 -3.137 -4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.288 -1.076 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.554 -1.465 -6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 241 7.739 -3.878 -6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.400 -3.371 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.695 -1.736 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 241 7.025 -2.263 -8.164 1.00 0.00 H new ATOM 0 HE ARG A 241 4.493 -3.657 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.882 -4.148 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 241 7.480 -5.614 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.047 -5.514 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 241 5.339 -6.376 -9.712 1.00 0.00 H new ATOM 839 N CYS A 242 9.324 -0.277 -3.137 1.00 0.00 N ATOM 840 CA CYS A 242 10.082 0.753 -2.467 1.00 0.00 C ATOM 841 C CYS A 242 11.045 0.166 -1.422 1.00 0.00 C ATOM 842 O CYS A 242 12.147 0.684 -1.251 1.00 0.00 O ATOM 843 CB CYS A 242 9.020 1.621 -1.795 1.00 0.00 C ATOM 844 SG CYS A 242 8.290 2.802 -2.969 1.00 0.00 S ATOM 0 H CYS A 242 8.347 -0.287 -2.844 1.00 0.00 H new ATOM 0 HA CYS A 242 10.711 1.311 -3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.237 0.986 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.465 2.163 -0.961 1.00 0.00 H new ATOM 0 HG CYS A 242 7.118 2.379 -3.338 1.00 0.00 H new