USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 541 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 442 HIS : no HD1:sc= 0.799 K(o=2.1,f=-1.9) USER MOD Set 1.2: A 500 GLN : amide:sc= 1.27 K(o=2.1,f=-0.84) USER MOD Set 2.1: A 489 ASN : amide:sc= 0.375 K(o=0.79,f=-0.58) USER MOD Set 2.2: A 492 LYS NZ :NH3+ 151:sc= 0.41 (180deg=0) USER MOD Set 2.3: A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 HIS : no HD1:sc= 0.0292 K(o=0.029,f=-0.71) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.541) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 483 GLN : amide:sc= 0.186 K(o=0.19,f=-1.8) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 490 THR OG1 : rot 4:sc= -0.0287 USER MOD Single : A 491 SER OG : rot -63:sc= 0.852 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot -170:sc= 0.418 USER MOD Single : A 502 TYR OH : rot 180:sc= 0.399 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -1.570 -9.972 -7.410 1.00 0.00 N ATOM 174 CA ARG A 437 -1.480 -8.771 -6.541 1.00 0.00 C ATOM 175 C ARG A 437 -0.722 -7.593 -7.182 1.00 0.00 C ATOM 176 O ARG A 437 -0.368 -6.632 -6.504 1.00 0.00 O ATOM 177 CB ARG A 437 -0.940 -9.147 -5.146 1.00 0.00 C ATOM 178 CG ARG A 437 -1.999 -9.913 -4.339 1.00 0.00 C ATOM 179 CD ARG A 437 -1.559 -10.103 -2.887 1.00 0.00 C ATOM 180 NE ARG A 437 -2.604 -10.795 -2.106 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.645 -10.964 -0.796 1.00 0.00 C ATOM 182 NH1 ARG A 437 -1.675 -10.600 -0.007 1.00 0.00 N ATOM 183 NH2 ARG A 437 -3.687 -11.515 -0.242 1.00 0.00 N ATOM 0 HA ARG A 437 -2.496 -8.397 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 437 -0.044 -9.758 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -0.649 -8.245 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -2.944 -9.370 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -2.176 -10.886 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -0.634 -10.679 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -1.346 -9.133 -2.438 1.00 0.00 H new ATOM 0 HE ARG A 437 -3.382 -11.187 -2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -0.838 -10.164 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -1.752 -10.751 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -4.472 -11.816 -0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -3.718 -11.645 0.769 1.00 0.00 H new ATOM 197 N ASP A 438 -0.488 -7.622 -8.495 1.00 0.00 N ATOM 198 CA ASP A 438 0.156 -6.524 -9.239 1.00 0.00 C ATOM 199 C ASP A 438 -0.706 -5.238 -9.316 1.00 0.00 C ATOM 200 O ASP A 438 -0.194 -4.155 -9.603 1.00 0.00 O ATOM 201 CB ASP A 438 0.532 -7.040 -10.636 1.00 0.00 C ATOM 202 CG ASP A 438 1.540 -6.133 -11.361 1.00 0.00 C ATOM 203 OD1 ASP A 438 2.626 -5.860 -10.794 1.00 0.00 O ATOM 204 OD2 ASP A 438 1.277 -5.742 -12.523 1.00 0.00 O ATOM 0 H ASP A 438 -0.741 -8.415 -9.084 1.00 0.00 H new ATOM 0 HA ASP A 438 1.051 -6.224 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.952 -8.042 -10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -0.371 -7.126 -11.240 1.00 0.00 H new ATOM 209 N HIS A 439 -2.007 -5.337 -9.010 1.00 0.00 N ATOM 210 CA HIS A 439 -2.960 -4.221 -8.869 1.00 0.00 C ATOM 211 C HIS A 439 -3.020 -3.618 -7.445 1.00 0.00 C ATOM 212 O HIS A 439 -3.888 -2.787 -7.159 1.00 0.00 O ATOM 213 CB HIS A 439 -4.349 -4.718 -9.299 1.00 0.00 C ATOM 214 CG HIS A 439 -4.947 -5.728 -8.348 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.641 -7.092 -8.312 1.00 0.00 N ATOM 216 CD2 HIS A 439 -5.847 -5.453 -7.358 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.381 -7.607 -7.312 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.110 -6.645 -6.721 1.00 0.00 N ATOM 0 H HIS A 439 -2.448 -6.242 -8.845 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.612 -3.410 -9.509 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.022 -3.865 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.276 -5.163 -10.291 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.270 -4.488 -7.121 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.388 -8.648 -7.025 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -6.748 -6.775 -5.936 1.00 0.00 H new ATOM 226 N VAL A 440 -2.119 -4.030 -6.544 1.00 0.00 N ATOM 227 CA VAL A 440 -2.116 -3.658 -5.116 1.00 0.00 C ATOM 228 C VAL A 440 -0.930 -2.738 -4.792 1.00 0.00 C ATOM 229 O VAL A 440 0.153 -2.831 -5.375 1.00 0.00 O ATOM 230 CB VAL A 440 -2.133 -4.919 -4.216 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.247 -4.607 -2.714 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.309 -5.844 -4.569 1.00 0.00 C ATOM 0 H VAL A 440 -1.348 -4.650 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.027 -3.098 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.174 -5.400 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.253 -5.539 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.397 -3.999 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.172 -4.062 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.292 -6.719 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.248 -5.308 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.223 -6.162 -5.608 1.00 0.00 H new ATOM 242 N LEU A 441 -1.148 -1.855 -3.821 1.00 0.00 N ATOM 243 CA LEU A 441 -0.225 -0.861 -3.281 1.00 0.00 C ATOM 244 C LEU A 441 -0.046 -1.058 -1.772 1.00 0.00 C ATOM 245 O LEU A 441 -0.884 -1.661 -1.100 1.00 0.00 O ATOM 246 CB LEU A 441 -0.820 0.550 -3.485 1.00 0.00 C ATOM 247 CG LEU A 441 -1.044 1.000 -4.931 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.779 2.337 -4.931 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.282 1.176 -5.668 1.00 0.00 C ATOM 0 H LEU A 441 -2.053 -1.813 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 441 0.731 -0.971 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.776 0.595 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.159 1.271 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.629 0.233 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.941 2.663 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.740 2.224 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.181 3.081 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.089 1.496 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.884 1.929 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.821 0.228 -5.679 1.00 0.00 H new ATOM 261 N HIS A 442 0.998 -0.439 -1.236 1.00 0.00 N ATOM 262 CA HIS A 442 1.261 -0.256 0.189 1.00 0.00 C ATOM 263 C HIS A 442 1.495 1.240 0.431 1.00 0.00 C ATOM 264 O HIS A 442 2.126 1.921 -0.383 1.00 0.00 O ATOM 265 CB HIS A 442 2.458 -1.117 0.609 1.00 0.00 C ATOM 266 CG HIS A 442 2.960 -0.792 1.993 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.939 0.162 2.287 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.507 -1.334 3.158 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.055 0.173 3.627 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.215 -0.721 4.170 1.00 0.00 N ATOM 0 H HIS A 442 1.728 -0.026 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 442 0.417 -0.579 0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.174 -2.169 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.268 -0.978 -0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.746 -2.092 3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.727 0.809 4.185 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.116 -0.915 5.166 1.00 0.00 H new ATOM 278 N VAL A 443 0.951 1.761 1.529 1.00 0.00 N ATOM 279 CA VAL A 443 0.876 3.197 1.832 1.00 0.00 C ATOM 280 C VAL A 443 1.332 3.432 3.271 1.00 0.00 C ATOM 281 O VAL A 443 1.008 2.648 4.166 1.00 0.00 O ATOM 282 CB VAL A 443 -0.563 3.733 1.644 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.599 5.267 1.606 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.228 3.253 0.347 1.00 0.00 C ATOM 0 H VAL A 443 0.536 1.181 2.258 1.00 0.00 H new ATOM 0 HA VAL A 443 1.528 3.733 1.142 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.107 3.342 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.627 5.604 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.206 5.663 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 443 0.010 5.625 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.234 3.666 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.640 3.587 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.282 2.164 0.347 1.00 0.00 H new ATOM 294 N THR A 444 2.056 4.531 3.494 1.00 0.00 N ATOM 295 CA THR A 444 2.638 4.907 4.794 1.00 0.00 C ATOM 296 C THR A 444 2.341 6.377 5.087 1.00 0.00 C ATOM 297 O THR A 444 2.461 7.234 4.207 1.00 0.00 O ATOM 298 CB THR A 444 4.159 4.662 4.812 1.00 0.00 C ATOM 299 OG1 THR A 444 4.479 3.394 4.278 1.00 0.00 O ATOM 300 CG2 THR A 444 4.737 4.673 6.226 1.00 0.00 C ATOM 0 H THR A 444 2.262 5.206 2.758 1.00 0.00 H new ATOM 0 HA THR A 444 2.186 4.284 5.566 1.00 0.00 H new ATOM 0 HB THR A 444 4.582 5.472 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.450 3.265 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.812 4.496 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.548 5.642 6.689 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.264 3.890 6.818 1.00 0.00 H new ATOM 308 N PHE A 445 1.924 6.670 6.319 1.00 0.00 N ATOM 309 CA PHE A 445 1.370 7.965 6.735 1.00 0.00 C ATOM 310 C PHE A 445 1.450 8.156 8.268 1.00 0.00 C ATOM 311 O PHE A 445 1.597 7.170 9.000 1.00 0.00 O ATOM 312 CB PHE A 445 -0.101 8.019 6.256 1.00 0.00 C ATOM 313 CG PHE A 445 -0.891 6.730 6.451 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.235 6.299 7.745 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.224 5.921 5.346 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.863 5.059 7.938 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.855 4.679 5.537 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.167 4.242 6.835 1.00 0.00 C ATOM 0 H PHE A 445 1.962 5.993 7.081 1.00 0.00 H new ATOM 0 HA PHE A 445 1.952 8.772 6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.611 8.823 6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.113 8.278 5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.014 6.927 8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.993 6.257 4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.113 4.732 8.936 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.100 4.061 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.639 3.282 6.985 1.00 0.00 H new ATOM 328 N PRO A 446 1.325 9.392 8.797 1.00 0.00 N ATOM 329 CA PRO A 446 1.150 9.612 10.234 1.00 0.00 C ATOM 330 C PRO A 446 -0.176 9.017 10.721 1.00 0.00 C ATOM 331 O PRO A 446 -1.173 9.010 9.992 1.00 0.00 O ATOM 332 CB PRO A 446 1.188 11.129 10.450 1.00 0.00 C ATOM 333 CG PRO A 446 0.909 11.732 9.074 1.00 0.00 C ATOM 334 CD PRO A 446 1.329 10.654 8.074 1.00 0.00 C ATOM 0 HA PRO A 446 1.937 9.119 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 446 0.439 11.443 11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 446 2.157 11.449 10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -0.145 11.985 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 446 1.476 12.651 8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.640 10.619 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.319 10.865 7.669 1.00 0.00 H new ATOM 342 N LYS A 447 -0.211 8.567 11.982 1.00 0.00 N ATOM 343 CA LYS A 447 -1.387 7.921 12.601 1.00 0.00 C ATOM 344 C LYS A 447 -2.672 8.764 12.584 1.00 0.00 C ATOM 345 O LYS A 447 -3.764 8.211 12.715 1.00 0.00 O ATOM 346 CB LYS A 447 -1.045 7.434 14.019 1.00 0.00 C ATOM 347 CG LYS A 447 -0.758 8.565 15.027 1.00 0.00 C ATOM 348 CD LYS A 447 -0.552 8.063 16.468 1.00 0.00 C ATOM 349 CE LYS A 447 0.890 7.690 16.846 1.00 0.00 C ATOM 350 NZ LYS A 447 1.414 6.526 16.089 1.00 0.00 N ATOM 0 H LYS A 447 0.586 8.640 12.614 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.621 7.063 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.873 6.831 14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.174 6.781 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.132 9.108 14.709 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.586 9.274 15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.900 8.835 17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.186 7.190 16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.538 8.549 16.671 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.933 7.470 17.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.233 6.126 16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.671 5.803 16.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.706 6.833 15.139 1.00 0.00 H new ATOM 364 N GLU A 448 -2.547 10.078 12.386 1.00 0.00 N ATOM 365 CA GLU A 448 -3.643 11.030 12.211 1.00 0.00 C ATOM 366 C GLU A 448 -4.587 10.692 11.034 1.00 0.00 C ATOM 367 O GLU A 448 -5.766 11.055 11.065 1.00 0.00 O ATOM 368 CB GLU A 448 -2.996 12.417 12.033 1.00 0.00 C ATOM 369 CG GLU A 448 -3.985 13.550 12.289 1.00 0.00 C ATOM 370 CD GLU A 448 -3.295 14.927 12.226 1.00 0.00 C ATOM 371 OE1 GLU A 448 -3.200 15.519 11.122 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.850 15.441 13.284 1.00 0.00 O ATOM 0 H GLU A 448 -1.633 10.528 12.341 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.290 10.995 13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.152 12.513 12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -2.600 12.504 11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -4.786 13.509 11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -4.446 13.417 13.268 1.00 0.00 H new ATOM 379 N TRP A 449 -4.096 9.980 10.009 1.00 0.00 N ATOM 380 CA TRP A 449 -4.904 9.505 8.876 1.00 0.00 C ATOM 381 C TRP A 449 -5.977 8.484 9.287 1.00 0.00 C ATOM 382 O TRP A 449 -5.822 7.732 10.256 1.00 0.00 O ATOM 383 CB TRP A 449 -3.992 8.902 7.797 1.00 0.00 C ATOM 384 CG TRP A 449 -3.311 9.901 6.911 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.387 10.804 7.306 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.501 10.128 5.478 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.983 11.564 6.226 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.660 11.211 5.079 1.00 0.00 C ATOM 389 CE3 TRP A 449 -4.308 9.540 4.478 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.641 11.703 3.767 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -4.286 10.019 3.153 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.461 11.101 2.796 1.00 0.00 C ATOM 0 H TRP A 449 -3.113 9.714 9.943 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.431 10.373 8.479 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.231 8.293 8.285 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.585 8.232 7.175 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.019 10.915 8.315 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.273 12.295 6.272 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.951 8.711 4.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -2.004 12.535 3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.908 9.551 2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.457 11.468 1.780 1.00 0.00 H new ATOM 403 N LYS A 450 -7.045 8.417 8.482 1.00 0.00 N ATOM 404 CA LYS A 450 -8.188 7.497 8.614 1.00 0.00 C ATOM 405 C LYS A 450 -8.516 6.827 7.274 1.00 0.00 C ATOM 406 O LYS A 450 -8.117 7.317 6.216 1.00 0.00 O ATOM 407 CB LYS A 450 -9.402 8.246 9.168 1.00 0.00 C ATOM 408 CG LYS A 450 -9.083 8.748 10.584 1.00 0.00 C ATOM 409 CD LYS A 450 -10.318 8.857 11.463 1.00 0.00 C ATOM 410 CE LYS A 450 -10.918 7.496 11.845 1.00 0.00 C ATOM 411 NZ LYS A 450 -12.075 7.654 12.763 1.00 0.00 N ATOM 0 H LYS A 450 -7.143 9.035 7.677 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.918 6.707 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.653 9.085 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.271 7.589 9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.368 8.071 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.602 9.724 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.061 9.400 12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -11.074 9.446 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -11.235 6.970 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -10.155 6.881 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -12.458 6.717 13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -11.766 8.134 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -12.812 8.221 12.298 1.00 0.00 H new ATOM 425 N THR A 451 -9.311 5.758 7.300 1.00 0.00 N ATOM 426 CA THR A 451 -9.843 5.077 6.105 1.00 0.00 C ATOM 427 C THR A 451 -10.562 6.048 5.157 1.00 0.00 C ATOM 428 O THR A 451 -10.453 5.925 3.940 1.00 0.00 O ATOM 429 CB THR A 451 -10.815 3.951 6.502 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.364 3.239 7.636 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.000 2.935 5.379 1.00 0.00 C ATOM 0 H THR A 451 -9.615 5.325 8.172 1.00 0.00 H new ATOM 0 HA THR A 451 -8.985 4.656 5.581 1.00 0.00 H new ATOM 0 HB THR A 451 -11.759 4.450 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.008 2.534 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.693 2.158 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.401 3.436 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.038 2.484 5.134 1.00 0.00 H new ATOM 439 N SER A 452 -11.242 7.064 5.698 1.00 0.00 N ATOM 440 CA SER A 452 -11.889 8.124 4.913 1.00 0.00 C ATOM 441 C SER A 452 -10.904 9.007 4.139 1.00 0.00 C ATOM 442 O SER A 452 -11.132 9.294 2.963 1.00 0.00 O ATOM 443 CB SER A 452 -12.703 9.032 5.832 1.00 0.00 C ATOM 444 OG SER A 452 -13.763 8.310 6.440 1.00 0.00 O ATOM 0 H SER A 452 -11.361 7.176 6.705 1.00 0.00 H new ATOM 0 HA SER A 452 -12.520 7.609 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 452 -12.056 9.454 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 452 -13.106 9.868 5.261 1.00 0.00 H new ATOM 0 HG SER A 452 -14.272 8.908 7.026 1.00 0.00 H new ATOM 450 N ASP A 453 -9.791 9.416 4.759 1.00 0.00 N ATOM 451 CA ASP A 453 -8.723 10.163 4.076 1.00 0.00 C ATOM 452 C ASP A 453 -8.053 9.310 2.988 1.00 0.00 C ATOM 453 O ASP A 453 -7.643 9.827 1.949 1.00 0.00 O ATOM 454 CB ASP A 453 -7.658 10.632 5.077 1.00 0.00 C ATOM 455 CG ASP A 453 -8.215 11.591 6.137 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.622 12.724 5.784 1.00 0.00 O ATOM 457 OD2 ASP A 453 -8.228 11.212 7.332 1.00 0.00 O ATOM 0 H ASP A 453 -9.603 9.240 5.746 1.00 0.00 H new ATOM 0 HA ASP A 453 -9.186 11.032 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -7.225 9.763 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.851 11.126 4.536 1.00 0.00 H new ATOM 462 N LEU A 454 -7.992 7.993 3.202 1.00 0.00 N ATOM 463 CA LEU A 454 -7.471 7.028 2.231 1.00 0.00 C ATOM 464 C LEU A 454 -8.426 6.859 1.032 1.00 0.00 C ATOM 465 O LEU A 454 -7.987 6.949 -0.116 1.00 0.00 O ATOM 466 CB LEU A 454 -7.168 5.696 2.947 1.00 0.00 C ATOM 467 CG LEU A 454 -5.933 5.734 3.867 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.862 4.441 4.682 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.624 5.876 3.085 1.00 0.00 C ATOM 0 H LEU A 454 -8.309 7.560 4.070 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.538 7.405 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.038 5.410 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.023 4.919 2.196 1.00 0.00 H new ATOM 0 HG LEU A 454 -6.045 6.605 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.988 4.469 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.763 4.343 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.785 3.589 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.785 5.898 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.511 5.030 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.642 6.802 2.510 1.00 0.00 H new ATOM 481 N TYR A 455 -9.738 6.727 1.260 1.00 0.00 N ATOM 482 CA TYR A 455 -10.730 6.777 0.178 1.00 0.00 C ATOM 483 C TYR A 455 -10.650 8.090 -0.621 1.00 0.00 C ATOM 484 O TYR A 455 -10.671 8.053 -1.849 1.00 0.00 O ATOM 485 CB TYR A 455 -12.155 6.557 0.716 1.00 0.00 C ATOM 486 CG TYR A 455 -12.524 5.116 1.032 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.473 4.136 0.018 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.986 4.764 2.316 1.00 0.00 C ATOM 489 CE1 TYR A 455 -12.849 2.807 0.295 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.374 3.438 2.593 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.295 2.452 1.585 1.00 0.00 C ATOM 492 OH TYR A 455 -13.657 1.165 1.845 1.00 0.00 O ATOM 0 H TYR A 455 -10.139 6.584 2.187 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.491 5.962 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.278 7.151 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.864 6.942 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.144 4.406 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -13.043 5.514 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.796 2.059 -0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.732 3.175 3.577 1.00 0.00 H new ATOM 0 HH TYR A 455 -13.939 1.087 2.780 1.00 0.00 H new ATOM 502 N GLN A 456 -10.491 9.244 0.038 1.00 0.00 N ATOM 503 CA GLN A 456 -10.342 10.548 -0.603 1.00 0.00 C ATOM 504 C GLN A 456 -9.017 10.718 -1.376 1.00 0.00 C ATOM 505 O GLN A 456 -8.979 11.447 -2.371 1.00 0.00 O ATOM 506 CB GLN A 456 -10.479 11.602 0.500 1.00 0.00 C ATOM 507 CG GLN A 456 -11.941 11.810 0.931 1.00 0.00 C ATOM 508 CD GLN A 456 -12.075 12.758 2.124 1.00 0.00 C ATOM 509 OE1 GLN A 456 -11.403 13.777 2.237 1.00 0.00 O ATOM 510 NE2 GLN A 456 -12.954 12.471 3.062 1.00 0.00 N ATOM 0 H GLN A 456 -10.462 9.294 1.056 1.00 0.00 H new ATOM 0 HA GLN A 456 -11.114 10.657 -1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -9.887 11.299 1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -10.068 12.548 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -12.510 12.207 0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -12.381 10.846 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -13.523 11.628 2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -13.066 13.092 3.864 1.00 0.00 H new ATOM 519 N LEU A 457 -7.938 10.041 -0.964 1.00 0.00 N ATOM 520 CA LEU A 457 -6.657 10.005 -1.684 1.00 0.00 C ATOM 521 C LEU A 457 -6.750 9.215 -3.006 1.00 0.00 C ATOM 522 O LEU A 457 -6.142 9.612 -4.003 1.00 0.00 O ATOM 523 CB LEU A 457 -5.581 9.427 -0.739 1.00 0.00 C ATOM 524 CG LEU A 457 -4.190 9.202 -1.365 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.579 10.485 -1.925 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.227 8.645 -0.315 1.00 0.00 C ATOM 0 H LEU A 457 -7.930 9.492 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 457 -6.380 11.019 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.471 10.100 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.941 8.475 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 457 -4.334 8.499 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.601 10.266 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -4.231 10.891 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.469 11.216 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.247 8.489 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -3.139 9.353 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.608 7.696 0.061 1.00 0.00 H new ATOM 538 N PHE A 458 -7.531 8.130 -3.036 1.00 0.00 N ATOM 539 CA PHE A 458 -7.557 7.175 -4.157 1.00 0.00 C ATOM 540 C PHE A 458 -8.858 7.173 -4.989 1.00 0.00 C ATOM 541 O PHE A 458 -8.924 6.485 -6.011 1.00 0.00 O ATOM 542 CB PHE A 458 -7.215 5.782 -3.614 1.00 0.00 C ATOM 543 CG PHE A 458 -5.767 5.609 -3.185 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.764 5.448 -4.159 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.414 5.580 -1.822 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.423 5.271 -3.775 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.074 5.406 -1.437 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.077 5.248 -2.414 1.00 0.00 C ATOM 0 H PHE A 458 -8.169 7.885 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.806 7.501 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.861 5.570 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.444 5.041 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.026 5.460 -5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.179 5.692 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.658 5.153 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.810 5.394 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.047 5.109 -2.119 1.00 0.00 H new ATOM 558 N SER A 459 -9.873 7.968 -4.629 1.00 0.00 N ATOM 559 CA SER A 459 -11.142 8.105 -5.375 1.00 0.00 C ATOM 560 C SER A 459 -10.988 8.564 -6.836 1.00 0.00 C ATOM 561 O SER A 459 -11.874 8.310 -7.657 1.00 0.00 O ATOM 562 CB SER A 459 -12.100 9.059 -4.649 1.00 0.00 C ATOM 563 OG SER A 459 -11.523 10.348 -4.506 1.00 0.00 O ATOM 0 H SER A 459 -9.840 8.550 -3.792 1.00 0.00 H new ATOM 0 HA SER A 459 -11.550 7.095 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 459 -13.034 9.135 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.346 8.656 -3.667 1.00 0.00 H new ATOM 0 HG SER A 459 -12.153 10.939 -4.042 1.00 0.00 H new ATOM 569 N ALA A 460 -9.850 9.172 -7.195 1.00 0.00 N ATOM 570 CA ALA A 460 -9.467 9.499 -8.573 1.00 0.00 C ATOM 571 C ALA A 460 -9.419 8.277 -9.524 1.00 0.00 C ATOM 572 O ALA A 460 -9.492 8.440 -10.745 1.00 0.00 O ATOM 573 CB ALA A 460 -8.109 10.214 -8.528 1.00 0.00 C ATOM 0 H ALA A 460 -9.149 9.459 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.240 10.144 -8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.799 10.470 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -8.197 11.124 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.366 9.556 -8.076 1.00 0.00 H new ATOM 579 N PHE A 461 -9.335 7.058 -8.975 1.00 0.00 N ATOM 580 CA PHE A 461 -9.315 5.786 -9.709 1.00 0.00 C ATOM 581 C PHE A 461 -10.680 5.062 -9.730 1.00 0.00 C ATOM 582 O PHE A 461 -10.786 3.961 -10.277 1.00 0.00 O ATOM 583 CB PHE A 461 -8.217 4.907 -9.087 1.00 0.00 C ATOM 584 CG PHE A 461 -6.827 5.516 -9.157 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.259 5.837 -10.404 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.108 5.784 -7.976 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.979 6.414 -10.473 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.827 6.364 -8.044 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.262 6.675 -9.293 1.00 0.00 C ATOM 0 H PHE A 461 -9.277 6.926 -7.965 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.100 5.991 -10.758 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.467 4.715 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.206 3.943 -9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.809 5.639 -11.312 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.540 5.544 -7.016 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.547 6.657 -11.433 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.279 6.570 -7.137 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.277 7.115 -9.346 1.00 0.00 H new ATOM 599 N GLY A 462 -11.726 5.664 -9.150 1.00 0.00 N ATOM 600 CA GLY A 462 -13.039 5.045 -8.931 1.00 0.00 C ATOM 601 C GLY A 462 -13.170 4.467 -7.516 1.00 0.00 C ATOM 602 O GLY A 462 -12.438 4.858 -6.602 1.00 0.00 O ATOM 0 H GLY A 462 -11.680 6.625 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.821 5.786 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.193 4.252 -9.663 1.00 0.00 H new ATOM 606 N ASN A 463 -14.110 3.537 -7.318 1.00 0.00 N ATOM 607 CA ASN A 463 -14.183 2.745 -6.082 1.00 0.00 C ATOM 608 C ASN A 463 -12.933 1.848 -5.916 1.00 0.00 C ATOM 609 O ASN A 463 -12.326 1.418 -6.903 1.00 0.00 O ATOM 610 CB ASN A 463 -15.505 1.951 -6.039 1.00 0.00 C ATOM 611 CG ASN A 463 -15.590 0.828 -7.063 1.00 0.00 C ATOM 612 OD1 ASN A 463 -15.066 -0.262 -6.874 1.00 0.00 O ATOM 613 ND2 ASN A 463 -16.272 1.041 -8.169 1.00 0.00 N ATOM 0 H ASN A 463 -14.834 3.312 -8.000 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.184 3.419 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.630 1.529 -5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -16.335 2.639 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -16.362 0.299 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -16.711 1.948 -8.331 1.00 0.00 H new ATOM 620 N ILE A 464 -12.555 1.566 -4.666 1.00 0.00 N ATOM 621 CA ILE A 464 -11.333 0.825 -4.289 1.00 0.00 C ATOM 622 C ILE A 464 -11.572 -0.081 -3.065 1.00 0.00 C ATOM 623 O ILE A 464 -12.659 -0.085 -2.480 1.00 0.00 O ATOM 624 CB ILE A 464 -10.153 1.797 -4.013 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.439 2.774 -2.849 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.741 2.578 -5.272 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.160 3.122 -2.084 1.00 0.00 C ATOM 0 H ILE A 464 -13.105 1.854 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 464 -11.071 0.189 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.319 1.163 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -10.890 3.686 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.163 2.328 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.913 3.245 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.430 1.879 -6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.587 3.165 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -9.397 3.810 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.724 2.212 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -8.447 3.592 -2.762 1.00 0.00 H new ATOM 639 N GLN A 465 -10.533 -0.803 -2.639 1.00 0.00 N ATOM 640 CA GLN A 465 -10.485 -1.577 -1.390 1.00 0.00 C ATOM 641 C GLN A 465 -9.230 -1.214 -0.572 1.00 0.00 C ATOM 642 O GLN A 465 -8.211 -0.800 -1.130 1.00 0.00 O ATOM 643 CB GLN A 465 -10.546 -3.078 -1.729 1.00 0.00 C ATOM 644 CG GLN A 465 -11.988 -3.553 -1.975 1.00 0.00 C ATOM 645 CD GLN A 465 -12.062 -5.037 -2.339 1.00 0.00 C ATOM 646 OE1 GLN A 465 -11.483 -5.903 -1.693 1.00 0.00 O ATOM 647 NE2 GLN A 465 -12.776 -5.399 -3.387 1.00 0.00 N ATOM 0 H GLN A 465 -9.667 -0.869 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.344 -1.331 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -9.943 -3.275 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -10.109 -3.653 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -12.584 -3.371 -1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.430 -2.963 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.266 -4.694 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -12.838 -6.384 -3.646 1.00 0.00 H new ATOM 656 N ILE A 466 -9.311 -1.352 0.757 1.00 0.00 N ATOM 657 CA ILE A 466 -8.293 -0.920 1.737 1.00 0.00 C ATOM 658 C ILE A 466 -8.163 -1.995 2.830 1.00 0.00 C ATOM 659 O ILE A 466 -9.176 -2.466 3.358 1.00 0.00 O ATOM 660 CB ILE A 466 -8.680 0.446 2.373 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.946 1.537 1.305 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.581 0.911 3.354 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.463 2.870 1.859 1.00 0.00 C ATOM 0 H ILE A 466 -10.120 -1.785 1.203 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.338 -0.794 1.227 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.611 0.296 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -8.022 1.722 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.671 1.153 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.865 1.868 3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.463 0.171 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.638 1.023 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.619 3.569 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.406 2.706 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.732 3.284 2.553 1.00 0.00 H new ATOM 675 N SER A 467 -6.928 -2.360 3.194 1.00 0.00 N ATOM 676 CA SER A 467 -6.614 -3.404 4.178 1.00 0.00 C ATOM 677 C SER A 467 -5.448 -2.987 5.083 1.00 0.00 C ATOM 678 O SER A 467 -4.285 -3.030 4.677 1.00 0.00 O ATOM 679 CB SER A 467 -6.269 -4.711 3.454 1.00 0.00 C ATOM 680 OG SER A 467 -7.416 -5.274 2.831 1.00 0.00 O ATOM 0 H SER A 467 -6.094 -1.924 2.800 1.00 0.00 H new ATOM 0 HA SER A 467 -7.492 -3.552 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.501 -4.522 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.852 -5.424 4.165 1.00 0.00 H new ATOM 0 HG SER A 467 -7.166 -6.105 2.376 1.00 0.00 H new ATOM 686 N TRP A 468 -5.747 -2.561 6.313 1.00 0.00 N ATOM 687 CA TRP A 468 -4.749 -2.172 7.320 1.00 0.00 C ATOM 688 C TRP A 468 -3.762 -3.294 7.685 1.00 0.00 C ATOM 689 O TRP A 468 -4.111 -4.478 7.658 1.00 0.00 O ATOM 690 CB TRP A 468 -5.466 -1.731 8.598 1.00 0.00 C ATOM 691 CG TRP A 468 -6.332 -0.517 8.480 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.679 -0.512 8.363 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.938 0.883 8.572 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.131 0.793 8.265 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.099 1.695 8.404 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.724 1.545 8.836 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.045 3.096 8.434 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.670 2.949 8.909 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.817 3.730 8.682 1.00 0.00 C ATOM 0 H TRP A 468 -6.707 -2.474 6.646 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.169 -1.363 6.876 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.082 -2.559 8.949 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.715 -1.544 9.366 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.306 -1.391 8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.105 1.054 8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.823 0.968 8.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -7.938 3.681 8.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.734 3.434 9.143 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.754 4.808 8.698 1.00 0.00 H new ATOM 710 N ILE A 469 -2.558 -2.903 8.121 1.00 0.00 N ATOM 711 CA ILE A 469 -1.552 -3.793 8.722 1.00 0.00 C ATOM 712 C ILE A 469 -0.902 -3.213 9.989 1.00 0.00 C ATOM 713 O ILE A 469 -0.440 -3.977 10.838 1.00 0.00 O ATOM 714 CB ILE A 469 -0.468 -4.187 7.697 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.194 -2.976 7.002 1.00 0.00 C ATOM 716 CG2 ILE A 469 -1.047 -5.170 6.671 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.412 -3.355 6.156 1.00 0.00 C ATOM 0 H ILE A 469 -2.247 -1.933 8.065 1.00 0.00 H new ATOM 0 HA ILE A 469 -2.095 -4.687 9.028 1.00 0.00 H new ATOM 0 HB ILE A 469 0.331 -4.676 8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.542 -2.484 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.497 -2.252 7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.275 -5.442 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.398 -6.066 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.881 -4.701 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.829 -2.459 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.165 -3.821 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.110 -4.056 5.377 1.00 0.00 H new ATOM 729 N ASP A 470 -0.895 -1.886 10.157 1.00 0.00 N ATOM 730 CA ASP A 470 -0.409 -1.205 11.367 1.00 0.00 C ATOM 731 C ASP A 470 -1.082 0.169 11.565 1.00 0.00 C ATOM 732 O ASP A 470 -1.805 0.671 10.703 1.00 0.00 O ATOM 733 CB ASP A 470 1.127 -1.058 11.278 1.00 0.00 C ATOM 734 CG ASP A 470 1.845 -0.804 12.620 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.217 -0.919 13.700 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.061 -0.500 12.595 1.00 0.00 O ATOM 0 H ASP A 470 -1.233 -1.241 9.443 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.671 -1.809 12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.537 -1.964 10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.358 -0.236 10.600 1.00 0.00 H new ATOM 741 N ASP A 471 -0.791 0.808 12.695 1.00 0.00 N ATOM 742 CA ASP A 471 -1.282 2.133 13.105 1.00 0.00 C ATOM 743 C ASP A 471 -0.878 3.276 12.144 1.00 0.00 C ATOM 744 O ASP A 471 -1.450 4.367 12.191 1.00 0.00 O ATOM 745 CB ASP A 471 -0.740 2.385 14.521 1.00 0.00 C ATOM 746 CG ASP A 471 -1.253 3.672 15.180 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.479 3.784 15.419 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.414 4.530 15.541 1.00 0.00 O ATOM 0 H ASP A 471 -0.171 0.397 13.393 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.372 2.130 13.080 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.005 1.538 15.154 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.348 2.423 14.478 1.00 0.00 H new ATOM 753 N THR A 472 0.092 3.027 11.258 1.00 0.00 N ATOM 754 CA THR A 472 0.711 3.989 10.324 1.00 0.00 C ATOM 755 C THR A 472 0.893 3.430 8.899 1.00 0.00 C ATOM 756 O THR A 472 1.484 4.102 8.047 1.00 0.00 O ATOM 757 CB THR A 472 2.078 4.450 10.870 1.00 0.00 C ATOM 758 OG1 THR A 472 2.891 3.333 11.179 1.00 0.00 O ATOM 759 CG2 THR A 472 1.933 5.282 12.147 1.00 0.00 C ATOM 0 H THR A 472 0.494 2.094 11.164 1.00 0.00 H new ATOM 0 HA THR A 472 0.022 4.831 10.251 1.00 0.00 H new ATOM 0 HB THR A 472 2.533 5.059 10.089 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.755 3.642 11.522 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.919 5.586 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.333 6.168 11.938 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.443 4.685 12.916 1.00 0.00 H new ATOM 767 N SER A 473 0.373 2.222 8.621 1.00 0.00 N ATOM 768 CA SER A 473 0.567 1.505 7.348 1.00 0.00 C ATOM 769 C SER A 473 -0.639 0.646 6.948 1.00 0.00 C ATOM 770 O SER A 473 -1.232 -0.055 7.776 1.00 0.00 O ATOM 771 CB SER A 473 1.786 0.574 7.432 1.00 0.00 C ATOM 772 OG SER A 473 3.000 1.299 7.542 1.00 0.00 O ATOM 0 H SER A 473 -0.204 1.707 9.286 1.00 0.00 H new ATOM 0 HA SER A 473 0.709 2.282 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.679 -0.087 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 473 1.821 -0.059 6.546 1.00 0.00 H new ATOM 0 HG SER A 473 3.752 0.672 7.595 1.00 0.00 H new ATOM 778 N ALA A 474 -0.961 0.640 5.653 1.00 0.00 N ATOM 779 CA ALA A 474 -2.042 -0.158 5.070 1.00 0.00 C ATOM 780 C ALA A 474 -1.785 -0.508 3.594 1.00 0.00 C ATOM 781 O ALA A 474 -1.031 0.179 2.899 1.00 0.00 O ATOM 782 CB ALA A 474 -3.349 0.643 5.197 1.00 0.00 C ATOM 0 H ALA A 474 -0.465 1.204 4.963 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.104 -1.103 5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.171 0.069 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.554 0.841 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.250 1.588 4.663 1.00 0.00 H new ATOM 788 N PHE A 475 -2.445 -1.557 3.101 1.00 0.00 N ATOM 789 CA PHE A 475 -2.523 -1.871 1.674 1.00 0.00 C ATOM 790 C PHE A 475 -3.731 -1.161 1.045 1.00 0.00 C ATOM 791 O PHE A 475 -4.750 -0.937 1.709 1.00 0.00 O ATOM 792 CB PHE A 475 -2.679 -3.380 1.439 1.00 0.00 C ATOM 793 CG PHE A 475 -1.549 -4.255 1.939 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.275 -4.172 1.345 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.788 -5.205 2.951 1.00 0.00 C ATOM 796 CE1 PHE A 475 0.762 -5.017 1.779 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.759 -6.068 3.362 1.00 0.00 C ATOM 798 CZ PHE A 475 0.517 -5.968 2.785 1.00 0.00 C ATOM 0 H PHE A 475 -2.947 -2.221 3.690 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.595 -1.531 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.603 -3.707 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.796 -3.550 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.094 -3.458 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.763 -5.270 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.745 -4.935 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.950 -6.810 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.311 -6.622 3.114 1.00 0.00 H new ATOM 808 N VAL A 476 -3.648 -0.883 -0.256 1.00 0.00 N ATOM 809 CA VAL A 476 -4.742 -0.325 -1.071 1.00 0.00 C ATOM 810 C VAL A 476 -4.802 -1.070 -2.405 1.00 0.00 C ATOM 811 O VAL A 476 -3.771 -1.384 -2.997 1.00 0.00 O ATOM 812 CB VAL A 476 -4.566 1.197 -1.277 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.607 1.776 -2.244 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.705 1.945 0.056 1.00 0.00 C ATOM 0 H VAL A 476 -2.796 -1.042 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.688 -0.462 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.569 1.332 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.443 2.848 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.511 1.290 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.608 1.602 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.578 3.014 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.693 1.759 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.943 1.594 0.752 1.00 0.00 H new ATOM 824 N SER A 477 -6.009 -1.342 -2.890 1.00 0.00 N ATOM 825 CA SER A 477 -6.283 -2.221 -4.030 1.00 0.00 C ATOM 826 C SER A 477 -7.101 -1.475 -5.083 1.00 0.00 C ATOM 827 O SER A 477 -8.235 -1.061 -4.821 1.00 0.00 O ATOM 828 CB SER A 477 -7.040 -3.455 -3.524 1.00 0.00 C ATOM 829 OG SER A 477 -6.177 -4.289 -2.767 1.00 0.00 O ATOM 0 H SER A 477 -6.857 -0.943 -2.488 1.00 0.00 H new ATOM 0 HA SER A 477 -5.349 -2.536 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 477 -7.886 -3.144 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.446 -4.012 -4.368 1.00 0.00 H new ATOM 0 HG SER A 477 -6.674 -5.071 -2.449 1.00 0.00 H new ATOM 835 N LEU A 478 -6.509 -1.288 -6.267 1.00 0.00 N ATOM 836 CA LEU A 478 -7.078 -0.526 -7.388 1.00 0.00 C ATOM 837 C LEU A 478 -7.635 -1.466 -8.474 1.00 0.00 C ATOM 838 O LEU A 478 -7.359 -2.668 -8.476 1.00 0.00 O ATOM 839 CB LEU A 478 -6.001 0.423 -7.957 1.00 0.00 C ATOM 840 CG LEU A 478 -5.340 1.380 -6.942 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.404 2.340 -7.674 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.349 2.228 -6.168 1.00 0.00 C ATOM 0 H LEU A 478 -5.590 -1.675 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.916 0.070 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.220 -0.181 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.453 1.020 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.806 0.747 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.939 3.014 -6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.631 1.771 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.973 2.921 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.819 2.878 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.925 2.836 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.023 1.575 -5.613 1.00 0.00 H new ATOM 854 N SER A 479 -8.425 -0.937 -9.412 1.00 0.00 N ATOM 855 CA SER A 479 -9.101 -1.745 -10.444 1.00 0.00 C ATOM 856 C SER A 479 -8.151 -2.344 -11.491 1.00 0.00 C ATOM 857 O SER A 479 -8.470 -3.386 -12.069 1.00 0.00 O ATOM 858 CB SER A 479 -10.174 -0.920 -11.167 1.00 0.00 C ATOM 859 OG SER A 479 -11.137 -0.432 -10.244 1.00 0.00 O ATOM 0 H SER A 479 -8.617 0.062 -9.482 1.00 0.00 H new ATOM 0 HA SER A 479 -9.553 -2.576 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 479 -9.707 -0.085 -11.689 1.00 0.00 H new ATOM 0 HB3 SER A 479 -10.665 -1.534 -11.922 1.00 0.00 H new ATOM 0 HG SER A 479 -11.812 0.093 -10.723 1.00 0.00 H new ATOM 865 N GLN A 480 -6.994 -1.716 -11.745 1.00 0.00 N ATOM 866 CA GLN A 480 -6.016 -2.147 -12.758 1.00 0.00 C ATOM 867 C GLN A 480 -4.562 -1.811 -12.352 1.00 0.00 C ATOM 868 O GLN A 480 -4.332 -0.768 -11.732 1.00 0.00 O ATOM 869 CB GLN A 480 -6.300 -1.435 -14.100 1.00 0.00 C ATOM 870 CG GLN A 480 -7.672 -1.744 -14.724 1.00 0.00 C ATOM 871 CD GLN A 480 -7.859 -1.066 -16.082 1.00 0.00 C ATOM 872 OE1 GLN A 480 -7.555 0.106 -16.278 1.00 0.00 O ATOM 873 NE2 GLN A 480 -8.379 -1.761 -17.072 1.00 0.00 N ATOM 0 H GLN A 480 -6.705 -0.877 -11.242 1.00 0.00 H new ATOM 0 HA GLN A 480 -6.119 -3.228 -12.849 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.222 -0.359 -13.946 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.523 -1.712 -14.812 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -7.781 -2.822 -14.841 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.459 -1.416 -14.045 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -8.638 -2.737 -16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -8.522 -1.323 -17.982 1.00 0.00 H new ATOM 882 N PRO A 481 -3.554 -2.614 -12.758 1.00 0.00 N ATOM 883 CA PRO A 481 -2.132 -2.257 -12.636 1.00 0.00 C ATOM 884 C PRO A 481 -1.751 -0.939 -13.338 1.00 0.00 C ATOM 885 O PRO A 481 -0.810 -0.255 -12.937 1.00 0.00 O ATOM 886 CB PRO A 481 -1.356 -3.423 -13.254 1.00 0.00 C ATOM 887 CG PRO A 481 -2.320 -4.601 -13.158 1.00 0.00 C ATOM 888 CD PRO A 481 -3.689 -3.948 -13.324 1.00 0.00 C ATOM 0 HA PRO A 481 -1.895 -2.091 -11.585 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.081 -3.216 -14.288 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -0.431 -3.619 -12.711 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -2.130 -5.341 -13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -2.233 -5.115 -12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -3.977 -3.902 -14.374 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -4.461 -4.518 -12.807 1.00 0.00 H new ATOM 896 N GLU A 482 -2.500 -0.543 -14.370 1.00 0.00 N ATOM 897 CA GLU A 482 -2.353 0.768 -15.024 1.00 0.00 C ATOM 898 C GLU A 482 -2.616 1.943 -14.060 1.00 0.00 C ATOM 899 O GLU A 482 -1.955 2.978 -14.145 1.00 0.00 O ATOM 900 CB GLU A 482 -3.292 0.858 -16.239 1.00 0.00 C ATOM 901 CG GLU A 482 -2.902 -0.132 -17.346 1.00 0.00 C ATOM 902 CD GLU A 482 -3.798 0.032 -18.590 1.00 0.00 C ATOM 903 OE1 GLU A 482 -3.602 1.003 -19.364 1.00 0.00 O ATOM 904 OE2 GLU A 482 -4.693 -0.819 -18.818 1.00 0.00 O ATOM 0 H GLU A 482 -3.231 -1.123 -14.781 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.317 0.850 -15.352 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.316 0.660 -15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.272 1.872 -16.637 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -1.859 0.023 -17.624 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -2.983 -1.152 -16.969 1.00 0.00 H new ATOM 911 N GLN A 483 -3.532 1.776 -13.098 1.00 0.00 N ATOM 912 CA GLN A 483 -3.802 2.764 -12.045 1.00 0.00 C ATOM 913 C GLN A 483 -2.715 2.750 -10.956 1.00 0.00 C ATOM 914 O GLN A 483 -2.340 3.807 -10.448 1.00 0.00 O ATOM 915 CB GLN A 483 -5.184 2.505 -11.431 1.00 0.00 C ATOM 916 CG GLN A 483 -6.325 2.614 -12.460 1.00 0.00 C ATOM 917 CD GLN A 483 -7.696 2.396 -11.826 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.881 1.571 -10.942 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.707 3.131 -12.237 1.00 0.00 N ATOM 0 H GLN A 483 -4.114 0.941 -13.028 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.790 3.754 -12.500 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.197 1.511 -10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.358 3.218 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.296 3.597 -12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.171 1.879 -13.250 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.568 3.823 -12.973 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.629 3.009 -11.819 1.00 0.00 H new ATOM 928 N VAL A 484 -2.146 1.576 -10.647 1.00 0.00 N ATOM 929 CA VAL A 484 -0.958 1.435 -9.781 1.00 0.00 C ATOM 930 C VAL A 484 0.229 2.234 -10.328 1.00 0.00 C ATOM 931 O VAL A 484 0.867 2.968 -9.575 1.00 0.00 O ATOM 932 CB VAL A 484 -0.598 -0.055 -9.579 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.819 -0.305 -9.050 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.605 -0.702 -8.627 1.00 0.00 C ATOM 0 H VAL A 484 -2.499 0.684 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.202 1.852 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.637 -0.503 -10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.982 -1.377 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.547 0.102 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.937 0.182 -8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.349 -1.752 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.578 -0.190 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.607 -0.626 -9.050 1.00 0.00 H new ATOM 944 N GLN A 485 0.494 2.163 -11.637 1.00 0.00 N ATOM 945 CA GLN A 485 1.559 2.941 -12.284 1.00 0.00 C ATOM 946 C GLN A 485 1.368 4.461 -12.104 1.00 0.00 C ATOM 947 O GLN A 485 2.329 5.177 -11.809 1.00 0.00 O ATOM 948 CB GLN A 485 1.630 2.542 -13.768 1.00 0.00 C ATOM 949 CG GLN A 485 2.859 3.130 -14.478 1.00 0.00 C ATOM 950 CD GLN A 485 2.958 2.657 -15.929 1.00 0.00 C ATOM 951 OE1 GLN A 485 2.086 2.896 -16.756 1.00 0.00 O ATOM 952 NE2 GLN A 485 4.018 1.969 -16.304 1.00 0.00 N ATOM 0 H GLN A 485 -0.024 1.564 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 485 2.509 2.709 -11.802 1.00 0.00 H new ATOM 0 HB2 GLN A 485 1.654 1.455 -13.848 1.00 0.00 H new ATOM 0 HB3 GLN A 485 0.726 2.879 -14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 485 2.807 4.218 -14.453 1.00 0.00 H new ATOM 0 HG3 GLN A 485 3.762 2.842 -13.940 1.00 0.00 H new ATOM 0 HE21 GLN A 485 4.755 1.760 -15.630 1.00 0.00 H new ATOM 0 HE22 GLN A 485 4.101 1.646 -17.268 1.00 0.00 H new ATOM 961 N ILE A 486 0.129 4.956 -12.218 1.00 0.00 N ATOM 962 CA ILE A 486 -0.210 6.370 -11.980 1.00 0.00 C ATOM 963 C ILE A 486 -0.020 6.739 -10.499 1.00 0.00 C ATOM 964 O ILE A 486 0.612 7.753 -10.209 1.00 0.00 O ATOM 965 CB ILE A 486 -1.642 6.687 -12.477 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.751 6.465 -14.006 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.033 8.141 -12.143 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.193 6.450 -14.533 1.00 0.00 C ATOM 0 H ILE A 486 -0.674 4.384 -12.480 1.00 0.00 H new ATOM 0 HA ILE A 486 0.476 6.989 -12.558 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.326 6.010 -11.965 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.196 7.251 -14.518 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.272 5.520 -14.261 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.043 8.338 -12.503 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.997 8.289 -11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.336 8.825 -12.626 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.185 6.290 -15.611 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.748 5.645 -14.051 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.671 7.404 -14.312 1.00 0.00 H new ATOM 980 N ALA A 487 -0.492 5.919 -9.554 1.00 0.00 N ATOM 981 CA ALA A 487 -0.323 6.164 -8.116 1.00 0.00 C ATOM 982 C ALA A 487 1.155 6.186 -7.665 1.00 0.00 C ATOM 983 O ALA A 487 1.530 6.966 -6.787 1.00 0.00 O ATOM 984 CB ALA A 487 -1.111 5.095 -7.352 1.00 0.00 C ATOM 0 H ALA A 487 -1.004 5.063 -9.765 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.706 7.160 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.000 5.258 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.165 5.158 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.729 4.107 -7.611 1.00 0.00 H new ATOM 990 N VAL A 488 2.016 5.369 -8.283 1.00 0.00 N ATOM 991 CA VAL A 488 3.477 5.440 -8.095 1.00 0.00 C ATOM 992 C VAL A 488 4.039 6.759 -8.644 1.00 0.00 C ATOM 993 O VAL A 488 4.826 7.413 -7.957 1.00 0.00 O ATOM 994 CB VAL A 488 4.171 4.216 -8.727 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.701 4.334 -8.759 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.839 2.947 -7.929 1.00 0.00 C ATOM 0 H VAL A 488 1.722 4.637 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 488 3.686 5.419 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 488 3.799 4.167 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 488 6.125 3.440 -9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.986 5.210 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 488 6.079 4.436 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.335 2.090 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 488 4.185 3.062 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.761 2.787 -7.933 1.00 0.00 H new ATOM 1006 N ASN A 489 3.608 7.202 -9.832 1.00 0.00 N ATOM 1007 CA ASN A 489 4.028 8.485 -10.409 1.00 0.00 C ATOM 1008 C ASN A 489 3.645 9.689 -9.526 1.00 0.00 C ATOM 1009 O ASN A 489 4.466 10.578 -9.295 1.00 0.00 O ATOM 1010 CB ASN A 489 3.427 8.631 -11.820 1.00 0.00 C ATOM 1011 CG ASN A 489 3.968 9.847 -12.560 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.168 10.064 -12.662 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.110 10.686 -13.093 1.00 0.00 N ATOM 0 H ASN A 489 2.958 6.681 -10.420 1.00 0.00 H new ATOM 0 HA ASN A 489 5.116 8.483 -10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.642 7.732 -12.398 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.342 8.709 -11.743 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.445 11.512 -13.588 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.108 10.511 -13.012 1.00 0.00 H new ATOM 1020 N THR A 490 2.415 9.721 -9.012 1.00 0.00 N ATOM 1021 CA THR A 490 1.892 10.834 -8.200 1.00 0.00 C ATOM 1022 C THR A 490 2.510 10.909 -6.798 1.00 0.00 C ATOM 1023 O THR A 490 2.648 12.005 -6.247 1.00 0.00 O ATOM 1024 CB THR A 490 0.359 10.773 -8.104 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.079 9.530 -7.611 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.287 11.004 -9.473 1.00 0.00 C ATOM 0 H THR A 490 1.741 8.968 -9.146 1.00 0.00 H new ATOM 0 HA THR A 490 2.185 11.746 -8.720 1.00 0.00 H new ATOM 0 HB THR A 490 0.058 11.562 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.697 8.983 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.372 10.956 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.000 11.986 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.050 10.235 -10.169 1.00 0.00 H new ATOM 1034 N SER A 491 2.963 9.781 -6.236 1.00 0.00 N ATOM 1035 CA SER A 491 3.608 9.721 -4.911 1.00 0.00 C ATOM 1036 C SER A 491 4.931 10.496 -4.796 1.00 0.00 C ATOM 1037 O SER A 491 5.333 10.860 -3.686 1.00 0.00 O ATOM 1038 CB SER A 491 3.816 8.266 -4.482 1.00 0.00 C ATOM 1039 OG SER A 491 4.939 7.671 -5.109 1.00 0.00 O ATOM 0 H SER A 491 2.893 8.871 -6.692 1.00 0.00 H new ATOM 0 HA SER A 491 2.915 10.224 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 491 3.943 8.224 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 491 2.923 7.689 -4.720 1.00 0.00 H new ATOM 0 HG SER A 491 4.791 7.633 -6.077 1.00 0.00 H new ATOM 1045 N LYS A 492 5.583 10.815 -5.927 1.00 0.00 N ATOM 1046 CA LYS A 492 6.787 11.670 -6.006 1.00 0.00 C ATOM 1047 C LYS A 492 6.570 13.102 -5.494 1.00 0.00 C ATOM 1048 O LYS A 492 7.543 13.788 -5.174 1.00 0.00 O ATOM 1049 CB LYS A 492 7.290 11.729 -7.459 1.00 0.00 C ATOM 1050 CG LYS A 492 7.804 10.377 -7.981 1.00 0.00 C ATOM 1051 CD LYS A 492 8.399 10.487 -9.393 1.00 0.00 C ATOM 1052 CE LYS A 492 7.324 10.842 -10.426 1.00 0.00 C ATOM 1053 NZ LYS A 492 7.865 10.922 -11.805 1.00 0.00 N ATOM 0 H LYS A 492 5.280 10.477 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 492 7.526 11.209 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.481 12.075 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 492 8.090 12.466 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.561 9.990 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 492 6.985 9.658 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.180 11.247 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 492 8.870 9.543 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 492 6.532 10.094 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 492 6.871 11.797 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 7.119 10.675 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 8.197 11.890 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.659 10.258 -11.905 1.00 0.00 H new ATOM 1067 N TYR A 493 5.314 13.544 -5.398 1.00 0.00 N ATOM 1068 CA TYR A 493 4.927 14.933 -5.110 1.00 0.00 C ATOM 1069 C TYR A 493 4.107 15.079 -3.811 1.00 0.00 C ATOM 1070 O TYR A 493 3.705 16.189 -3.450 1.00 0.00 O ATOM 1071 CB TYR A 493 4.177 15.494 -6.333 1.00 0.00 C ATOM 1072 CG TYR A 493 4.859 15.209 -7.663 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.069 15.852 -7.990 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.315 14.253 -8.542 1.00 0.00 C ATOM 1075 CE1 TYR A 493 6.739 15.533 -9.188 1.00 0.00 C ATOM 1076 CE2 TYR A 493 4.981 13.929 -9.740 1.00 0.00 C ATOM 1077 CZ TYR A 493 6.199 14.564 -10.065 1.00 0.00 C ATOM 1078 OH TYR A 493 6.852 14.229 -11.211 1.00 0.00 O ATOM 0 H TYR A 493 4.511 12.928 -5.522 1.00 0.00 H new ATOM 0 HA TYR A 493 5.831 15.515 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.172 15.073 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.068 16.572 -6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.484 16.591 -7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 493 3.383 13.766 -8.296 1.00 0.00 H new ATOM 0 HE1 TYR A 493 7.666 16.029 -9.437 1.00 0.00 H new ATOM 0 HE2 TYR A 493 4.560 13.194 -10.410 1.00 0.00 H new ATOM 0 HH TYR A 493 6.339 13.547 -11.692 1.00 0.00 H new ATOM 1088 N ALA A 494 3.868 13.974 -3.094 1.00 0.00 N ATOM 1089 CA ALA A 494 3.221 13.957 -1.783 1.00 0.00 C ATOM 1090 C ALA A 494 4.095 14.602 -0.685 1.00 0.00 C ATOM 1091 O ALA A 494 5.329 14.567 -0.749 1.00 0.00 O ATOM 1092 CB ALA A 494 2.893 12.497 -1.445 1.00 0.00 C ATOM 0 H ALA A 494 4.128 13.044 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 494 2.311 14.555 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.408 12.449 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.224 12.089 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.813 11.913 -1.421 1.00 0.00 H new ATOM 1098 N GLU A 495 3.451 15.142 0.355 1.00 0.00 N ATOM 1099 CA GLU A 495 4.104 15.849 1.478 1.00 0.00 C ATOM 1100 C GLU A 495 3.616 15.399 2.875 1.00 0.00 C ATOM 1101 O GLU A 495 4.177 15.822 3.890 1.00 0.00 O ATOM 1102 CB GLU A 495 3.917 17.370 1.316 1.00 0.00 C ATOM 1103 CG GLU A 495 4.584 17.934 0.053 1.00 0.00 C ATOM 1104 CD GLU A 495 4.498 19.472 0.026 1.00 0.00 C ATOM 1105 OE1 GLU A 495 3.463 20.024 -0.425 1.00 0.00 O ATOM 1106 OE2 GLU A 495 5.468 20.148 0.453 1.00 0.00 O ATOM 0 H GLU A 495 2.436 15.102 0.448 1.00 0.00 H new ATOM 0 HA GLU A 495 5.161 15.587 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 495 2.851 17.597 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.327 17.874 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 495 5.628 17.624 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 495 4.100 17.523 -0.833 1.00 0.00 H new ATOM 1113 N SER A 496 2.609 14.516 2.939 1.00 0.00 N ATOM 1114 CA SER A 496 1.986 14.017 4.186 1.00 0.00 C ATOM 1115 C SER A 496 1.732 12.496 4.178 1.00 0.00 C ATOM 1116 O SER A 496 1.109 11.965 5.097 1.00 0.00 O ATOM 1117 CB SER A 496 0.664 14.757 4.450 1.00 0.00 C ATOM 1118 OG SER A 496 0.834 16.169 4.476 1.00 0.00 O ATOM 0 H SER A 496 2.188 14.113 2.102 1.00 0.00 H new ATOM 0 HA SER A 496 2.700 14.216 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 496 -0.058 14.494 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 496 0.248 14.425 5.401 1.00 0.00 H new ATOM 0 HG SER A 496 -0.030 16.599 4.645 1.00 0.00 H new ATOM 1124 N TYR A 497 2.197 11.797 3.138 1.00 0.00 N ATOM 1125 CA TYR A 497 2.082 10.348 2.923 1.00 0.00 C ATOM 1126 C TYR A 497 3.126 9.879 1.887 1.00 0.00 C ATOM 1127 O TYR A 497 3.774 10.702 1.232 1.00 0.00 O ATOM 1128 CB TYR A 497 0.655 10.001 2.446 1.00 0.00 C ATOM 1129 CG TYR A 497 0.274 10.580 1.091 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.230 11.893 0.999 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.442 9.813 -0.079 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.555 12.446 -0.255 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.128 10.364 -1.337 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.369 11.684 -1.429 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.644 12.220 -2.650 1.00 0.00 O ATOM 0 H TYR A 497 2.695 12.255 2.375 1.00 0.00 H new ATOM 0 HA TYR A 497 2.273 9.832 3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.556 8.916 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.058 10.356 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.368 12.479 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 497 0.812 8.801 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.946 13.451 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.267 9.777 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 497 -0.458 11.557 -3.348 1.00 0.00 H new ATOM 1145 N ARG A 498 3.271 8.561 1.706 1.00 0.00 N ATOM 1146 CA ARG A 498 4.054 7.933 0.622 1.00 0.00 C ATOM 1147 C ARG A 498 3.434 6.594 0.198 1.00 0.00 C ATOM 1148 O ARG A 498 2.706 5.975 0.976 1.00 0.00 O ATOM 1149 CB ARG A 498 5.522 7.772 1.079 1.00 0.00 C ATOM 1150 CG ARG A 498 6.563 7.797 -0.062 1.00 0.00 C ATOM 1151 CD ARG A 498 6.650 9.130 -0.829 1.00 0.00 C ATOM 1152 NE ARG A 498 6.986 10.259 0.063 1.00 0.00 N ATOM 1153 CZ ARG A 498 6.839 11.547 -0.193 1.00 0.00 C ATOM 1154 NH1 ARG A 498 6.461 12.004 -1.351 1.00 0.00 N ATOM 1155 NH2 ARG A 498 7.075 12.438 0.725 1.00 0.00 N ATOM 0 H ARG A 498 2.836 7.877 2.325 1.00 0.00 H new ATOM 0 HA ARG A 498 4.036 8.577 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.758 8.569 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.618 6.830 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 498 7.544 7.570 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.325 7.002 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 498 7.404 9.049 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 498 5.698 9.328 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 498 7.373 10.018 0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 498 6.262 11.357 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 498 6.363 13.009 -1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 498 7.377 12.145 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 498 6.958 13.429 0.516 1.00 0.00 H new ATOM 1169 N ILE A 499 3.720 6.157 -1.031 1.00 0.00 N ATOM 1170 CA ILE A 499 3.141 4.963 -1.679 1.00 0.00 C ATOM 1171 C ILE A 499 4.263 4.135 -2.331 1.00 0.00 C ATOM 1172 O ILE A 499 5.235 4.688 -2.853 1.00 0.00 O ATOM 1173 CB ILE A 499 2.085 5.374 -2.742 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.944 6.232 -2.142 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.478 4.145 -3.451 1.00 0.00 C ATOM 1176 CD1 ILE A 499 0.056 6.922 -3.185 1.00 0.00 C ATOM 0 H ILE A 499 4.388 6.641 -1.632 1.00 0.00 H new ATOM 0 HA ILE A 499 2.642 4.358 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 499 2.622 5.979 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.320 5.597 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.380 6.992 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.744 4.475 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.269 3.587 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.992 3.504 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.716 7.501 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.664 7.586 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.412 6.169 -3.819 1.00 0.00 H new ATOM 1188 N GLN A 500 4.104 2.811 -2.337 1.00 0.00 N ATOM 1189 CA GLN A 500 4.909 1.849 -3.100 1.00 0.00 C ATOM 1190 C GLN A 500 4.005 0.721 -3.629 1.00 0.00 C ATOM 1191 O GLN A 500 2.893 0.533 -3.127 1.00 0.00 O ATOM 1192 CB GLN A 500 6.064 1.316 -2.230 1.00 0.00 C ATOM 1193 CG GLN A 500 5.619 0.420 -1.060 1.00 0.00 C ATOM 1194 CD GLN A 500 6.790 -0.094 -0.222 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.901 -0.306 -0.691 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.593 -0.314 1.059 1.00 0.00 N ATOM 0 H GLN A 500 3.377 2.356 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 500 5.358 2.342 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.749 0.752 -2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.623 2.163 -1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.939 0.981 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.060 -0.429 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.675 -0.144 1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.358 -0.655 1.641 1.00 0.00 H new ATOM 1205 N THR A 501 4.438 -0.045 -4.631 1.00 0.00 N ATOM 1206 CA THR A 501 3.673 -1.225 -5.085 1.00 0.00 C ATOM 1207 C THR A 501 3.740 -2.374 -4.072 1.00 0.00 C ATOM 1208 O THR A 501 4.638 -2.439 -3.226 1.00 0.00 O ATOM 1209 CB THR A 501 4.120 -1.738 -6.463 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.382 -2.352 -6.381 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.199 -0.637 -7.517 1.00 0.00 C ATOM 0 H THR A 501 5.304 0.121 -5.144 1.00 0.00 H new ATOM 0 HA THR A 501 2.642 -0.881 -5.171 1.00 0.00 H new ATOM 0 HB THR A 501 3.357 -2.454 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.719 -2.530 -7.284 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.520 -1.065 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.217 -0.179 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.916 0.120 -7.199 1.00 0.00 H new ATOM 1219 N TYR A 502 2.821 -3.336 -4.179 1.00 0.00 N ATOM 1220 CA TYR A 502 2.913 -4.594 -3.430 1.00 0.00 C ATOM 1221 C TYR A 502 4.196 -5.379 -3.776 1.00 0.00 C ATOM 1222 O TYR A 502 4.801 -6.000 -2.902 1.00 0.00 O ATOM 1223 CB TYR A 502 1.649 -5.416 -3.697 1.00 0.00 C ATOM 1224 CG TYR A 502 1.524 -6.666 -2.850 1.00 0.00 C ATOM 1225 CD1 TYR A 502 0.942 -6.597 -1.569 1.00 0.00 C ATOM 1226 CD2 TYR A 502 1.994 -7.897 -3.342 1.00 0.00 C ATOM 1227 CE1 TYR A 502 0.837 -7.759 -0.781 1.00 0.00 C ATOM 1228 CE2 TYR A 502 1.899 -9.060 -2.555 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.321 -8.991 -1.269 1.00 0.00 C ATOM 1230 OH TYR A 502 1.197 -10.114 -0.512 1.00 0.00 O ATOM 0 H TYR A 502 2.000 -3.268 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 502 2.980 -4.374 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.777 -4.786 -3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.631 -5.701 -4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.577 -5.653 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 502 2.430 -7.950 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 502 0.385 -7.707 0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.267 -10.002 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 502 1.580 -10.877 -0.993 1.00 0.00 H new ATOM 1240 N ALA A 503 4.669 -5.299 -5.027 1.00 0.00 N ATOM 1241 CA ALA A 503 5.945 -5.883 -5.452 1.00 0.00 C ATOM 1242 C ALA A 503 7.167 -5.230 -4.771 1.00 0.00 C ATOM 1243 O ALA A 503 8.105 -5.931 -4.390 1.00 0.00 O ATOM 1244 CB ALA A 503 6.042 -5.793 -6.980 1.00 0.00 C ATOM 0 H ALA A 503 4.171 -4.822 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 503 5.963 -6.926 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 503 6.987 -6.224 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.215 -6.343 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 503 5.993 -4.748 -7.287 1.00 0.00 H new ATOM 1250 N GLU A 504 7.160 -3.910 -4.557 1.00 0.00 N ATOM 1251 CA GLU A 504 8.192 -3.209 -3.776 1.00 0.00 C ATOM 1252 C GLU A 504 8.144 -3.583 -2.283 1.00 0.00 C ATOM 1253 O GLU A 504 9.188 -3.815 -1.670 1.00 0.00 O ATOM 1254 CB GLU A 504 8.041 -1.689 -3.945 1.00 0.00 C ATOM 1255 CG GLU A 504 8.481 -1.203 -5.332 1.00 0.00 C ATOM 1256 CD GLU A 504 8.269 0.316 -5.474 1.00 0.00 C ATOM 1257 OE1 GLU A 504 7.100 0.764 -5.560 1.00 0.00 O ATOM 1258 OE2 GLU A 504 9.274 1.070 -5.505 1.00 0.00 O ATOM 0 H GLU A 504 6.435 -3.292 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 504 9.162 -3.524 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 504 7.000 -1.410 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.632 -1.182 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 504 9.532 -1.444 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.915 -1.727 -6.102 1.00 0.00 H new ATOM 1265 N TYR A 505 6.945 -3.727 -1.706 1.00 0.00 N ATOM 1266 CA TYR A 505 6.741 -4.199 -0.329 1.00 0.00 C ATOM 1267 C TYR A 505 7.261 -5.639 -0.120 1.00 0.00 C ATOM 1268 O TYR A 505 7.912 -5.934 0.886 1.00 0.00 O ATOM 1269 CB TYR A 505 5.247 -4.063 -0.001 1.00 0.00 C ATOM 1270 CG TYR A 505 4.833 -4.610 1.349 1.00 0.00 C ATOM 1271 CD1 TYR A 505 4.859 -3.783 2.488 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.403 -5.947 1.458 1.00 0.00 C ATOM 1273 CE1 TYR A 505 4.448 -4.287 3.737 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.003 -6.458 2.706 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.017 -5.628 3.849 1.00 0.00 C ATOM 1276 OH TYR A 505 3.623 -6.123 5.055 1.00 0.00 O ATOM 0 H TYR A 505 6.073 -3.515 -2.191 1.00 0.00 H new ATOM 0 HA TYR A 505 7.324 -3.587 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.975 -3.008 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.673 -4.574 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.195 -2.760 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.380 -6.580 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 505 4.462 -3.649 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 505 3.685 -7.487 2.790 1.00 0.00 H new ATOM 0 HH TYR A 505 3.357 -7.061 4.953 1.00 0.00 H new