USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 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= 0.302 K(o=1.3,f=-4.8) USER MOD Set 1.2: A 500 GLN : amide:sc= 0.951 K(o=1.3,f=-3.4!) USER MOD Single : A 439 HIS : no HD1:sc= 0.0494 K(o=0.049,f=-1.1) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.2) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0388 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) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.04) USER MOD Single : A 483 GLN : amide:sc= 0.416 K(o=0.42,f=-1.4) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 490 THR OG1 : rot 5:sc= 0.0617 USER MOD Single : A 491 SER OG : rot -30:sc= 0.391 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0.246 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.485 USER MOD Single : A 502 TYR OH : rot 30:sc= 0.356 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -1.789 -9.999 -7.003 1.00 0.00 N ATOM 174 CA ARG A 437 -1.820 -8.678 -6.325 1.00 0.00 C ATOM 175 C ARG A 437 -1.040 -7.577 -7.067 1.00 0.00 C ATOM 176 O ARG A 437 -0.631 -6.580 -6.478 1.00 0.00 O ATOM 177 CB ARG A 437 -1.390 -8.845 -4.853 1.00 0.00 C ATOM 178 CG ARG A 437 -2.490 -9.559 -4.053 1.00 0.00 C ATOM 179 CD ARG A 437 -2.198 -9.588 -2.550 1.00 0.00 C ATOM 180 NE ARG A 437 -1.106 -10.518 -2.201 1.00 0.00 N ATOM 181 CZ ARG A 437 -1.167 -11.829 -2.054 1.00 0.00 C ATOM 182 NH1 ARG A 437 -2.260 -12.511 -2.255 1.00 0.00 N ATOM 183 NH2 ARG A 437 -0.105 -12.486 -1.691 1.00 0.00 N ATOM 0 HA ARG A 437 -2.848 -8.317 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 437 -0.464 -9.417 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -1.187 -7.868 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -3.443 -9.058 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -2.596 -10.580 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.936 -8.584 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -3.102 -9.877 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 437 -0.189 -10.095 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.115 -12.032 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -2.260 -13.523 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 437 0.769 -11.989 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -0.146 -13.499 -1.576 1.00 0.00 H new ATOM 197 N ASP A 438 -0.849 -7.729 -8.378 1.00 0.00 N ATOM 198 CA ASP A 438 -0.190 -6.727 -9.237 1.00 0.00 C ATOM 199 C ASP A 438 -0.956 -5.382 -9.319 1.00 0.00 C ATOM 200 O ASP A 438 -0.365 -4.333 -9.577 1.00 0.00 O ATOM 201 CB ASP A 438 0.006 -7.343 -10.629 1.00 0.00 C ATOM 202 CG ASP A 438 0.940 -6.509 -11.524 1.00 0.00 C ATOM 203 OD1 ASP A 438 2.114 -6.290 -11.139 1.00 0.00 O ATOM 204 OD2 ASP A 438 0.521 -6.122 -12.640 1.00 0.00 O ATOM 0 H ASP A 438 -1.149 -8.561 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 438 0.772 -6.475 -8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.414 -8.348 -10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -0.964 -7.443 -11.117 1.00 0.00 H new ATOM 209 N HIS A 439 -2.267 -5.402 -9.044 1.00 0.00 N ATOM 210 CA HIS A 439 -3.169 -4.240 -8.965 1.00 0.00 C ATOM 211 C HIS A 439 -3.272 -3.621 -7.552 1.00 0.00 C ATOM 212 O HIS A 439 -4.196 -2.849 -7.278 1.00 0.00 O ATOM 213 CB HIS A 439 -4.552 -4.679 -9.475 1.00 0.00 C ATOM 214 CG HIS A 439 -5.209 -5.721 -8.597 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.924 -7.091 -8.612 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.151 -5.478 -7.641 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.717 -7.640 -7.674 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.459 -6.694 -7.073 1.00 0.00 N ATOM 0 H HIS A 439 -2.756 -6.278 -8.860 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.753 -3.447 -9.587 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.202 -3.806 -9.540 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.450 -5.076 -10.485 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.573 -4.519 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.752 -8.693 -7.437 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.134 -6.850 -6.325 1.00 0.00 H new ATOM 226 N VAL A 440 -2.348 -3.955 -6.642 1.00 0.00 N ATOM 227 CA VAL A 440 -2.378 -3.556 -5.222 1.00 0.00 C ATOM 228 C VAL A 440 -1.169 -2.686 -4.866 1.00 0.00 C ATOM 229 O VAL A 440 -0.043 -2.916 -5.316 1.00 0.00 O ATOM 230 CB VAL A 440 -2.468 -4.793 -4.296 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.607 -4.423 -2.811 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.672 -5.673 -4.662 1.00 0.00 C ATOM 0 H VAL A 440 -1.535 -4.526 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.275 -2.957 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.531 -5.329 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.665 -5.333 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.741 -3.839 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.513 -3.835 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.709 -6.534 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.590 -5.094 -4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.572 -6.016 -5.692 1.00 0.00 H new ATOM 242 N LEU A 441 -1.421 -1.687 -4.022 1.00 0.00 N ATOM 243 CA LEU A 441 -0.451 -0.755 -3.455 1.00 0.00 C ATOM 244 C LEU A 441 -0.213 -1.029 -1.970 1.00 0.00 C ATOM 245 O LEU A 441 -1.043 -1.632 -1.290 1.00 0.00 O ATOM 246 CB LEU A 441 -1.019 0.675 -3.557 1.00 0.00 C ATOM 247 CG LEU A 441 -1.279 1.192 -4.974 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.976 2.544 -4.882 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.030 1.355 -5.741 1.00 0.00 C ATOM 0 H LEU A 441 -2.368 -1.496 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 441 0.483 -0.872 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.955 0.714 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.326 1.356 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.904 0.473 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -2.167 2.924 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.921 2.431 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.339 3.246 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -0.180 1.723 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.671 2.066 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.536 0.392 -5.806 1.00 0.00 H new ATOM 261 N HIS A 442 0.879 -0.472 -1.460 1.00 0.00 N ATOM 262 CA HIS A 442 1.211 -0.340 -0.046 1.00 0.00 C ATOM 263 C HIS A 442 1.415 1.156 0.230 1.00 0.00 C ATOM 264 O HIS A 442 2.031 1.869 -0.568 1.00 0.00 O ATOM 265 CB HIS A 442 2.460 -1.164 0.285 1.00 0.00 C ATOM 266 CG HIS A 442 2.967 -0.896 1.679 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.949 0.042 2.010 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.464 -1.433 2.828 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.013 0.054 3.353 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.141 -0.829 3.866 1.00 0.00 N ATOM 0 H HIS A 442 1.602 -0.075 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 442 0.413 -0.724 0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.231 -2.225 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.245 -0.935 -0.435 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.690 -2.182 2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.671 0.683 3.935 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.003 -1.021 4.858 1.00 0.00 H new ATOM 278 N VAL A 443 0.864 1.638 1.341 1.00 0.00 N ATOM 279 CA VAL A 443 0.752 3.065 1.673 1.00 0.00 C ATOM 280 C VAL A 443 1.224 3.282 3.107 1.00 0.00 C ATOM 281 O VAL A 443 0.883 2.499 3.996 1.00 0.00 O ATOM 282 CB VAL A 443 -0.705 3.560 1.528 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.787 5.093 1.507 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.390 3.065 0.249 1.00 0.00 C ATOM 0 H VAL A 443 0.470 1.032 2.060 1.00 0.00 H new ATOM 0 HA VAL A 443 1.374 3.633 0.981 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.216 3.150 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.828 5.400 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.381 5.492 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.210 5.477 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.409 3.449 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.836 3.418 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.412 1.975 0.247 1.00 0.00 H new ATOM 294 N THR A 444 1.976 4.358 3.337 1.00 0.00 N ATOM 295 CA THR A 444 2.557 4.718 4.643 1.00 0.00 C ATOM 296 C THR A 444 2.225 6.176 4.966 1.00 0.00 C ATOM 297 O THR A 444 2.308 7.041 4.092 1.00 0.00 O ATOM 298 CB THR A 444 4.083 4.513 4.645 1.00 0.00 C ATOM 299 OG1 THR A 444 4.441 3.270 4.075 1.00 0.00 O ATOM 300 CG2 THR A 444 4.666 4.502 6.058 1.00 0.00 C ATOM 0 H THR A 444 2.208 5.027 2.603 1.00 0.00 H new ATOM 0 HA THR A 444 2.127 4.067 5.405 1.00 0.00 H new ATOM 0 HB THR A 444 4.479 5.349 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.416 3.172 4.090 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.745 4.354 6.005 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.453 5.453 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.216 3.691 6.631 1.00 0.00 H new ATOM 308 N PHE A 445 1.825 6.453 6.208 1.00 0.00 N ATOM 309 CA PHE A 445 1.258 7.742 6.630 1.00 0.00 C ATOM 310 C PHE A 445 1.370 7.968 8.158 1.00 0.00 C ATOM 311 O PHE A 445 1.447 6.997 8.919 1.00 0.00 O ATOM 312 CB PHE A 445 -0.225 7.782 6.196 1.00 0.00 C ATOM 313 CG PHE A 445 -0.996 6.482 6.405 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.350 6.062 7.702 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.297 5.653 5.305 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.955 4.810 7.901 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.910 4.403 5.504 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.231 3.978 6.802 1.00 0.00 C ATOM 0 H PHE A 445 1.886 5.775 6.968 1.00 0.00 H new ATOM 0 HA PHE A 445 1.827 8.542 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.727 8.577 6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.271 8.048 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.155 6.705 8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.056 5.980 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.208 4.486 8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.134 3.770 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.690 3.013 6.957 1.00 0.00 H new ATOM 328 N PRO A 446 1.364 9.228 8.642 1.00 0.00 N ATOM 329 CA PRO A 446 1.207 9.548 10.065 1.00 0.00 C ATOM 330 C PRO A 446 -0.085 8.941 10.638 1.00 0.00 C ATOM 331 O PRO A 446 -1.109 8.898 9.949 1.00 0.00 O ATOM 332 CB PRO A 446 1.171 11.080 10.147 1.00 0.00 C ATOM 333 CG PRO A 446 1.860 11.540 8.866 1.00 0.00 C ATOM 334 CD PRO A 446 1.495 10.448 7.866 1.00 0.00 C ATOM 0 HA PRO A 446 2.025 9.131 10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 446 0.148 11.452 10.204 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.692 11.444 11.032 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.501 12.518 8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.939 11.623 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.564 10.685 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.265 10.344 7.102 1.00 0.00 H new ATOM 342 N LYS A 447 -0.071 8.501 11.903 1.00 0.00 N ATOM 343 CA LYS A 447 -1.220 7.835 12.554 1.00 0.00 C ATOM 344 C LYS A 447 -2.505 8.673 12.623 1.00 0.00 C ATOM 345 O LYS A 447 -3.592 8.115 12.785 1.00 0.00 O ATOM 346 CB LYS A 447 -0.814 7.299 13.935 1.00 0.00 C ATOM 347 CG LYS A 447 -0.469 8.391 14.967 1.00 0.00 C ATOM 348 CD LYS A 447 -0.147 7.782 16.338 1.00 0.00 C ATOM 349 CE LYS A 447 1.202 7.044 16.338 1.00 0.00 C ATOM 350 NZ LYS A 447 1.161 5.848 17.212 1.00 0.00 N ATOM 0 H LYS A 447 0.741 8.595 12.513 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.484 7.001 11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.628 6.689 14.328 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.048 6.643 13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.384 8.970 14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.306 9.082 15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.129 8.571 17.090 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.939 7.089 16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.456 6.745 15.321 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.988 7.718 16.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.125 5.479 17.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.764 6.108 18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.566 5.117 16.772 1.00 0.00 H new ATOM 364 N GLU A 448 -2.397 9.993 12.475 1.00 0.00 N ATOM 365 CA GLU A 448 -3.516 10.937 12.364 1.00 0.00 C ATOM 366 C GLU A 448 -4.398 10.722 11.115 1.00 0.00 C ATOM 367 O GLU A 448 -5.560 11.139 11.114 1.00 0.00 O ATOM 368 CB GLU A 448 -2.992 12.385 12.368 1.00 0.00 C ATOM 369 CG GLU A 448 -2.166 12.767 13.610 1.00 0.00 C ATOM 370 CD GLU A 448 -0.646 12.655 13.366 1.00 0.00 C ATOM 371 OE1 GLU A 448 -0.136 11.524 13.181 1.00 0.00 O ATOM 372 OE2 GLU A 448 0.049 13.703 13.359 1.00 0.00 O ATOM 0 H GLU A 448 -1.490 10.457 12.427 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.147 10.749 13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.379 12.538 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.841 13.064 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -2.409 13.788 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -2.446 12.120 14.442 1.00 0.00 H new ATOM 379 N TRP A 449 -3.885 10.070 10.061 1.00 0.00 N ATOM 380 CA TRP A 449 -4.678 9.669 8.888 1.00 0.00 C ATOM 381 C TRP A 449 -5.776 8.657 9.246 1.00 0.00 C ATOM 382 O TRP A 449 -5.613 7.827 10.148 1.00 0.00 O ATOM 383 CB TRP A 449 -3.772 9.079 7.795 1.00 0.00 C ATOM 384 CG TRP A 449 -3.089 10.072 6.903 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.224 11.038 7.291 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.212 10.207 5.452 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.821 11.771 6.190 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.426 11.323 5.035 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.916 9.508 4.444 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.378 11.752 3.701 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.867 9.925 3.099 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.108 11.050 2.728 1.00 0.00 C ATOM 0 H TRP A 449 -2.902 9.804 9.998 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.162 10.571 8.514 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.009 8.466 8.275 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.371 8.414 7.174 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -1.898 11.210 8.306 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.159 12.546 6.228 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.501 8.640 4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.786 12.612 3.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.416 9.377 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.087 11.373 1.698 1.00 0.00 H new ATOM 403 N LYS A 450 -6.871 8.683 8.479 1.00 0.00 N ATOM 404 CA LYS A 450 -8.044 7.800 8.602 1.00 0.00 C ATOM 405 C LYS A 450 -8.436 7.190 7.252 1.00 0.00 C ATOM 406 O LYS A 450 -7.990 7.650 6.199 1.00 0.00 O ATOM 407 CB LYS A 450 -9.213 8.588 9.213 1.00 0.00 C ATOM 408 CG LYS A 450 -8.865 8.983 10.653 1.00 0.00 C ATOM 409 CD LYS A 450 -10.082 9.442 11.447 1.00 0.00 C ATOM 410 CE LYS A 450 -10.569 10.827 11.006 1.00 0.00 C ATOM 411 NZ LYS A 450 -11.698 11.300 11.848 1.00 0.00 N ATOM 0 H LYS A 450 -6.972 9.353 7.716 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.788 6.970 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.415 9.479 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.120 7.983 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.406 8.133 11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.124 9.782 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.888 8.719 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -9.834 9.466 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -9.746 11.539 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -10.883 10.789 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -12.003 12.240 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -12.492 10.632 11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -11.390 11.360 12.840 1.00 0.00 H new ATOM 425 N THR A 451 -9.336 6.205 7.261 1.00 0.00 N ATOM 426 CA THR A 451 -9.958 5.626 6.055 1.00 0.00 C ATOM 427 C THR A 451 -10.544 6.696 5.125 1.00 0.00 C ATOM 428 O THR A 451 -10.472 6.562 3.908 1.00 0.00 O ATOM 429 CB THR A 451 -11.086 4.644 6.414 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.814 3.914 7.591 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.336 3.642 5.290 1.00 0.00 C ATOM 0 H THR A 451 -9.665 5.773 8.125 1.00 0.00 H new ATOM 0 HA THR A 451 -9.153 5.102 5.539 1.00 0.00 H new ATOM 0 HB THR A 451 -11.969 5.264 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.559 3.306 7.778 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.139 2.964 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.620 4.176 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.427 3.069 5.104 1.00 0.00 H new ATOM 439 N SER A 452 -11.080 7.791 5.675 1.00 0.00 N ATOM 440 CA SER A 452 -11.601 8.914 4.882 1.00 0.00 C ATOM 441 C SER A 452 -10.519 9.667 4.097 1.00 0.00 C ATOM 442 O SER A 452 -10.736 10.020 2.937 1.00 0.00 O ATOM 443 CB SER A 452 -12.304 9.926 5.785 1.00 0.00 C ATOM 444 OG SER A 452 -13.535 9.411 6.275 1.00 0.00 O ATOM 0 H SER A 452 -11.166 7.925 6.682 1.00 0.00 H new ATOM 0 HA SER A 452 -12.292 8.465 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.655 10.182 6.622 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.487 10.846 5.230 1.00 0.00 H new ATOM 0 HG SER A 452 -13.963 10.078 6.851 1.00 0.00 H new ATOM 450 N ASP A 453 -9.341 9.889 4.688 1.00 0.00 N ATOM 451 CA ASP A 453 -8.190 10.474 3.981 1.00 0.00 C ATOM 452 C ASP A 453 -7.662 9.521 2.896 1.00 0.00 C ATOM 453 O ASP A 453 -7.209 9.956 1.838 1.00 0.00 O ATOM 454 CB ASP A 453 -7.054 10.795 4.963 1.00 0.00 C ATOM 455 CG ASP A 453 -7.487 11.729 6.097 1.00 0.00 C ATOM 456 OD1 ASP A 453 -7.752 12.929 5.838 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.554 11.256 7.256 1.00 0.00 O ATOM 0 H ASP A 453 -9.155 9.670 5.667 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.533 11.395 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.677 9.866 5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.229 11.253 4.418 1.00 0.00 H new ATOM 462 N LEU A 454 -7.778 8.210 3.137 1.00 0.00 N ATOM 463 CA LEU A 454 -7.429 7.172 2.163 1.00 0.00 C ATOM 464 C LEU A 454 -8.434 7.133 0.995 1.00 0.00 C ATOM 465 O LEU A 454 -8.016 7.079 -0.162 1.00 0.00 O ATOM 466 CB LEU A 454 -7.286 5.815 2.883 1.00 0.00 C ATOM 467 CG LEU A 454 -6.053 5.719 3.805 1.00 0.00 C ATOM 468 CD1 LEU A 454 -6.110 4.415 4.600 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.732 5.737 3.031 1.00 0.00 C ATOM 0 H LEU A 454 -8.120 7.837 4.023 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.466 7.410 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.184 5.633 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.230 5.023 2.136 1.00 0.00 H new ATOM 0 HG LEU A 454 -6.082 6.591 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.239 4.348 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -7.017 4.397 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -6.115 3.569 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.899 5.667 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.701 4.891 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.654 6.666 2.466 1.00 0.00 H new ATOM 481 N TYR A 455 -9.740 7.265 1.249 1.00 0.00 N ATOM 482 CA TYR A 455 -10.736 7.473 0.189 1.00 0.00 C ATOM 483 C TYR A 455 -10.465 8.767 -0.598 1.00 0.00 C ATOM 484 O TYR A 455 -10.509 8.747 -1.826 1.00 0.00 O ATOM 485 CB TYR A 455 -12.166 7.469 0.756 1.00 0.00 C ATOM 486 CG TYR A 455 -12.760 6.088 0.983 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.996 5.241 -0.120 1.00 0.00 C ATOM 488 CD2 TYR A 455 -13.120 5.664 2.277 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.550 3.961 0.073 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.686 4.388 2.473 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.893 3.528 1.372 1.00 0.00 C ATOM 492 OH TYR A 455 -14.433 2.291 1.552 1.00 0.00 O ATOM 0 H TYR A 455 -10.136 7.231 2.188 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.645 6.637 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.168 8.009 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.814 8.020 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.751 5.576 -1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.962 6.318 3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.713 3.310 -0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.962 4.067 3.467 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.611 2.147 2.505 1.00 0.00 H new ATOM 502 N GLN A 456 -10.110 9.874 0.063 1.00 0.00 N ATOM 503 CA GLN A 456 -9.732 11.122 -0.617 1.00 0.00 C ATOM 504 C GLN A 456 -8.494 10.953 -1.529 1.00 0.00 C ATOM 505 O GLN A 456 -8.424 11.567 -2.597 1.00 0.00 O ATOM 506 CB GLN A 456 -9.531 12.225 0.438 1.00 0.00 C ATOM 507 CG GLN A 456 -9.384 13.624 -0.180 1.00 0.00 C ATOM 508 CD GLN A 456 -9.280 14.719 0.884 1.00 0.00 C ATOM 509 OE1 GLN A 456 -10.133 14.876 1.750 1.00 0.00 O ATOM 510 NE2 GLN A 456 -8.240 15.530 0.864 1.00 0.00 N ATOM 0 H GLN A 456 -10.076 9.932 1.081 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.541 11.412 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.378 12.223 1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.643 11.999 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.496 13.649 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.240 13.826 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -7.519 15.417 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -8.157 16.270 1.561 1.00 0.00 H new ATOM 519 N LEU A 457 -7.541 10.093 -1.145 1.00 0.00 N ATOM 520 CA LEU A 457 -6.318 9.802 -1.904 1.00 0.00 C ATOM 521 C LEU A 457 -6.523 8.817 -3.079 1.00 0.00 C ATOM 522 O LEU A 457 -5.793 8.910 -4.069 1.00 0.00 O ATOM 523 CB LEU A 457 -5.258 9.294 -0.902 1.00 0.00 C ATOM 524 CG LEU A 457 -3.857 9.003 -1.478 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.230 10.216 -2.169 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.914 8.580 -0.348 1.00 0.00 C ATOM 0 H LEU A 457 -7.602 9.566 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.984 10.719 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.155 10.034 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.634 8.381 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.988 8.213 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.246 9.948 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.867 10.534 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.130 11.031 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.925 8.375 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.844 9.382 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.301 7.681 0.132 1.00 0.00 H new ATOM 538 N PHE A 458 -7.517 7.915 -3.018 1.00 0.00 N ATOM 539 CA PHE A 458 -7.642 6.792 -3.971 1.00 0.00 C ATOM 540 C PHE A 458 -9.011 6.611 -4.661 1.00 0.00 C ATOM 541 O PHE A 458 -9.069 5.960 -5.705 1.00 0.00 O ATOM 542 CB PHE A 458 -7.231 5.493 -3.260 1.00 0.00 C ATOM 543 CG PHE A 458 -5.786 5.443 -2.808 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.762 5.381 -3.769 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.461 5.420 -1.438 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.419 5.323 -3.365 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.117 5.361 -1.035 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.095 5.316 -1.999 1.00 0.00 C ATOM 0 H PHE A 458 -8.253 7.940 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.975 7.045 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.873 5.353 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.416 4.654 -3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.009 5.378 -4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.246 5.448 -0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.634 5.284 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.869 5.350 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.061 5.276 -1.689 1.00 0.00 H new ATOM 558 N SER A 459 -10.108 7.194 -4.163 1.00 0.00 N ATOM 559 CA SER A 459 -11.448 7.072 -4.781 1.00 0.00 C ATOM 560 C SER A 459 -11.514 7.630 -6.218 1.00 0.00 C ATOM 561 O SER A 459 -12.341 7.198 -7.025 1.00 0.00 O ATOM 562 CB SER A 459 -12.499 7.746 -3.889 1.00 0.00 C ATOM 563 OG SER A 459 -13.818 7.454 -4.325 1.00 0.00 O ATOM 0 H SER A 459 -10.099 7.766 -3.319 1.00 0.00 H new ATOM 0 HA SER A 459 -11.662 6.006 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.373 7.411 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.344 8.825 -3.894 1.00 0.00 H new ATOM 0 HG SER A 459 -14.463 7.897 -3.735 1.00 0.00 H new ATOM 569 N ALA A 460 -10.584 8.523 -6.583 1.00 0.00 N ATOM 570 CA ALA A 460 -10.384 9.034 -7.943 1.00 0.00 C ATOM 571 C ALA A 460 -10.181 7.938 -9.018 1.00 0.00 C ATOM 572 O ALA A 460 -10.476 8.167 -10.195 1.00 0.00 O ATOM 573 CB ALA A 460 -9.187 9.993 -7.911 1.00 0.00 C ATOM 0 H ALA A 460 -9.927 8.923 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 460 -11.300 9.543 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -9.013 10.391 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -9.397 10.814 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -8.300 9.457 -7.574 1.00 0.00 H new ATOM 579 N PHE A 461 -9.715 6.743 -8.630 1.00 0.00 N ATOM 580 CA PHE A 461 -9.539 5.584 -9.517 1.00 0.00 C ATOM 581 C PHE A 461 -10.839 4.794 -9.798 1.00 0.00 C ATOM 582 O PHE A 461 -10.825 3.829 -10.567 1.00 0.00 O ATOM 583 CB PHE A 461 -8.412 4.707 -8.946 1.00 0.00 C ATOM 584 CG PHE A 461 -7.053 5.397 -8.943 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.464 5.804 -10.158 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.383 5.660 -7.732 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.220 6.457 -10.163 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.144 6.326 -7.736 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.558 6.720 -8.952 1.00 0.00 C ATOM 0 H PHE A 461 -9.443 6.550 -7.666 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.256 5.948 -10.505 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.667 4.418 -7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.344 3.789 -9.530 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.973 5.612 -11.091 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.823 5.349 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.772 6.757 -11.099 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.642 6.535 -6.803 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.602 7.223 -8.955 1.00 0.00 H new ATOM 599 N GLY A 462 -11.974 5.197 -9.213 1.00 0.00 N ATOM 600 CA GLY A 462 -13.326 4.716 -9.539 1.00 0.00 C ATOM 601 C GLY A 462 -13.873 3.654 -8.578 1.00 0.00 C ATOM 602 O GLY A 462 -15.021 3.755 -8.135 1.00 0.00 O ATOM 0 H GLY A 462 -11.978 5.895 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -14.008 5.566 -9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.318 4.305 -10.548 1.00 0.00 H new ATOM 606 N ASN A 463 -13.053 2.663 -8.220 1.00 0.00 N ATOM 607 CA ASN A 463 -13.371 1.616 -7.244 1.00 0.00 C ATOM 608 C ASN A 463 -12.083 1.091 -6.581 1.00 0.00 C ATOM 609 O ASN A 463 -11.077 0.869 -7.261 1.00 0.00 O ATOM 610 CB ASN A 463 -14.131 0.482 -7.959 1.00 0.00 C ATOM 611 CG ASN A 463 -14.536 -0.638 -7.015 1.00 0.00 C ATOM 612 OD1 ASN A 463 -15.012 -0.413 -5.910 1.00 0.00 O ATOM 613 ND2 ASN A 463 -14.352 -1.879 -7.405 1.00 0.00 N ATOM 0 H ASN A 463 -12.118 2.563 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.002 2.025 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.022 0.891 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -13.505 0.074 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.606 -2.650 -6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -13.956 -2.071 -8.325 1.00 0.00 H new ATOM 620 N ILE A 464 -12.115 0.895 -5.259 1.00 0.00 N ATOM 621 CA ILE A 464 -10.949 0.518 -4.438 1.00 0.00 C ATOM 622 C ILE A 464 -11.327 -0.434 -3.289 1.00 0.00 C ATOM 623 O ILE A 464 -12.508 -0.645 -2.996 1.00 0.00 O ATOM 624 CB ILE A 464 -10.222 1.776 -3.883 1.00 0.00 C ATOM 625 CG1 ILE A 464 -11.040 2.533 -2.809 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.793 2.721 -5.018 1.00 0.00 C ATOM 627 CD1 ILE A 464 -10.258 3.671 -2.143 1.00 0.00 C ATOM 0 H ILE A 464 -12.970 0.995 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.265 -0.018 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.327 1.408 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.941 2.940 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.364 1.827 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -9.288 3.590 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.114 2.197 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.673 3.046 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.889 4.160 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -9.371 3.266 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.957 4.397 -2.899 1.00 0.00 H new ATOM 639 N GLN A 465 -10.316 -0.963 -2.597 1.00 0.00 N ATOM 640 CA GLN A 465 -10.451 -1.703 -1.335 1.00 0.00 C ATOM 641 C GLN A 465 -9.252 -1.379 -0.430 1.00 0.00 C ATOM 642 O GLN A 465 -8.148 -1.175 -0.933 1.00 0.00 O ATOM 643 CB GLN A 465 -10.549 -3.213 -1.629 1.00 0.00 C ATOM 644 CG GLN A 465 -11.128 -4.005 -0.446 1.00 0.00 C ATOM 645 CD GLN A 465 -11.316 -5.481 -0.795 1.00 0.00 C ATOM 646 OE1 GLN A 465 -10.391 -6.285 -0.756 1.00 0.00 O ATOM 647 NE2 GLN A 465 -12.513 -5.903 -1.149 1.00 0.00 N ATOM 0 H GLN A 465 -9.347 -0.887 -2.908 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.362 -1.404 -0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.174 -3.369 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.558 -3.598 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.463 -3.916 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.086 -3.575 -0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.294 -5.248 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -12.659 -6.885 -1.385 1.00 0.00 H new ATOM 656 N ILE A 466 -9.451 -1.329 0.891 1.00 0.00 N ATOM 657 CA ILE A 466 -8.449 -0.879 1.876 1.00 0.00 C ATOM 658 C ILE A 466 -8.289 -1.957 2.962 1.00 0.00 C ATOM 659 O ILE A 466 -9.280 -2.410 3.542 1.00 0.00 O ATOM 660 CB ILE A 466 -8.857 0.491 2.485 1.00 0.00 C ATOM 661 CG1 ILE A 466 -9.031 1.579 1.392 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.817 0.943 3.530 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.635 2.898 1.894 1.00 0.00 C ATOM 0 H ILE A 466 -10.334 -1.606 1.321 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.488 -0.737 1.382 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.822 0.359 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -8.058 1.786 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.666 1.182 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -8.116 1.904 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.757 0.203 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.842 1.042 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.720 3.599 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.624 2.710 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.991 3.324 2.663 1.00 0.00 H new ATOM 675 N SER A 467 -7.045 -2.363 3.234 1.00 0.00 N ATOM 676 CA SER A 467 -6.684 -3.432 4.175 1.00 0.00 C ATOM 677 C SER A 467 -5.493 -3.019 5.048 1.00 0.00 C ATOM 678 O SER A 467 -4.339 -3.075 4.615 1.00 0.00 O ATOM 679 CB SER A 467 -6.347 -4.714 3.405 1.00 0.00 C ATOM 680 OG SER A 467 -7.507 -5.295 2.828 1.00 0.00 O ATOM 0 H SER A 467 -6.230 -1.941 2.789 1.00 0.00 H new ATOM 0 HA SER A 467 -7.538 -3.615 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.623 -4.489 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.876 -5.431 4.078 1.00 0.00 H new ATOM 0 HG SER A 467 -7.258 -6.109 2.343 1.00 0.00 H new ATOM 686 N TRP A 468 -5.764 -2.577 6.278 1.00 0.00 N ATOM 687 CA TRP A 468 -4.742 -2.180 7.257 1.00 0.00 C ATOM 688 C TRP A 468 -3.743 -3.299 7.593 1.00 0.00 C ATOM 689 O TRP A 468 -4.104 -4.481 7.616 1.00 0.00 O ATOM 690 CB TRP A 468 -5.421 -1.742 8.557 1.00 0.00 C ATOM 691 CG TRP A 468 -6.422 -0.634 8.444 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.763 -0.787 8.395 1.00 0.00 C ATOM 693 CD2 TRP A 468 -6.187 0.806 8.430 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.368 0.449 8.255 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.440 1.468 8.260 1.00 0.00 C ATOM 696 CE3 TRP A 468 -5.043 1.617 8.576 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.541 2.864 8.162 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -5.143 3.020 8.492 1.00 0.00 C ATOM 699 CH2 TRP A 468 -6.381 3.645 8.263 1.00 0.00 C ATOM 0 H TRP A 468 -6.716 -2.482 6.631 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.182 -1.365 6.797 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.918 -2.609 8.992 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.647 -1.433 9.260 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.284 -1.731 8.456 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.374 0.589 8.160 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -4.081 1.159 8.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.502 3.332 8.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -4.255 3.624 8.605 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.438 4.719 8.166 1.00 0.00 H new ATOM 710 N ILE A 469 -2.516 -2.911 7.954 1.00 0.00 N ATOM 711 CA ILE A 469 -1.488 -3.798 8.519 1.00 0.00 C ATOM 712 C ILE A 469 -0.789 -3.208 9.756 1.00 0.00 C ATOM 713 O ILE A 469 -0.233 -3.958 10.562 1.00 0.00 O ATOM 714 CB ILE A 469 -0.451 -4.202 7.454 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.232 -3.000 6.768 1.00 0.00 C ATOM 716 CG2 ILE A 469 -1.088 -5.148 6.426 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.421 -3.400 5.889 1.00 0.00 C ATOM 0 H ILE A 469 -2.199 -1.946 7.860 1.00 0.00 H new ATOM 0 HA ILE A 469 -2.016 -4.691 8.854 1.00 0.00 H new ATOM 0 HB ILE A 469 0.348 -4.728 7.977 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.502 -2.474 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.572 -2.300 7.531 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.345 -5.426 5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.449 -6.044 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.923 -4.646 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.855 -2.508 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.173 -3.900 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.082 -4.077 5.104 1.00 0.00 H new ATOM 729 N ASP A 470 -0.851 -1.889 9.951 1.00 0.00 N ATOM 730 CA ASP A 470 -0.368 -1.197 11.153 1.00 0.00 C ATOM 731 C ASP A 470 -1.147 0.111 11.411 1.00 0.00 C ATOM 732 O ASP A 470 -1.999 0.532 10.625 1.00 0.00 O ATOM 733 CB ASP A 470 1.146 -0.917 11.018 1.00 0.00 C ATOM 734 CG ASP A 470 1.918 -1.100 12.338 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.483 -0.568 13.387 1.00 0.00 O ATOM 736 OD2 ASP A 470 2.977 -1.776 12.333 1.00 0.00 O ATOM 0 H ASP A 470 -1.249 -1.253 9.260 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.538 -1.845 12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.566 -1.583 10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.290 0.102 10.659 1.00 0.00 H new ATOM 741 N ASP A 471 -0.802 0.787 12.502 1.00 0.00 N ATOM 742 CA ASP A 471 -1.307 2.111 12.899 1.00 0.00 C ATOM 743 C ASP A 471 -0.872 3.238 11.930 1.00 0.00 C ATOM 744 O ASP A 471 -1.433 4.335 11.939 1.00 0.00 O ATOM 745 CB ASP A 471 -0.800 2.368 14.328 1.00 0.00 C ATOM 746 CG ASP A 471 -1.383 3.619 15.002 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.603 3.879 14.883 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.618 4.308 15.720 1.00 0.00 O ATOM 0 H ASP A 471 -0.129 0.414 13.172 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.396 2.117 12.861 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.033 1.499 14.943 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.286 2.459 14.303 1.00 0.00 H new ATOM 753 N THR A 472 0.114 2.957 11.070 1.00 0.00 N ATOM 754 CA THR A 472 0.787 3.906 10.163 1.00 0.00 C ATOM 755 C THR A 472 0.965 3.373 8.731 1.00 0.00 C ATOM 756 O THR A 472 1.584 4.044 7.900 1.00 0.00 O ATOM 757 CB THR A 472 2.165 4.302 10.728 1.00 0.00 C ATOM 758 OG1 THR A 472 2.925 3.142 11.021 1.00 0.00 O ATOM 759 CG2 THR A 472 2.048 5.125 12.013 1.00 0.00 C ATOM 0 H THR A 472 0.487 2.012 10.980 1.00 0.00 H new ATOM 0 HA THR A 472 0.131 4.774 10.103 1.00 0.00 H new ATOM 0 HB THR A 472 2.653 4.906 9.964 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.799 3.405 11.378 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.044 5.380 12.373 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.490 6.039 11.810 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.526 4.542 12.772 1.00 0.00 H new ATOM 767 N SER A 473 0.428 2.188 8.400 1.00 0.00 N ATOM 768 CA SER A 473 0.437 1.665 7.023 1.00 0.00 C ATOM 769 C SER A 473 -0.681 0.660 6.705 1.00 0.00 C ATOM 770 O SER A 473 -1.227 -0.020 7.582 1.00 0.00 O ATOM 771 CB SER A 473 1.806 1.061 6.667 1.00 0.00 C ATOM 772 OG SER A 473 2.149 -0.037 7.495 1.00 0.00 O ATOM 0 H SER A 473 -0.022 1.568 9.074 1.00 0.00 H new ATOM 0 HA SER A 473 0.240 2.536 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.797 0.737 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.573 1.831 6.755 1.00 0.00 H new ATOM 0 HG SER A 473 3.025 -0.386 7.229 1.00 0.00 H new ATOM 778 N ALA A 474 -1.025 0.574 5.417 1.00 0.00 N ATOM 779 CA ALA A 474 -2.093 -0.267 4.873 1.00 0.00 C ATOM 780 C ALA A 474 -1.835 -0.653 3.404 1.00 0.00 C ATOM 781 O ALA A 474 -1.068 0.009 2.699 1.00 0.00 O ATOM 782 CB ALA A 474 -3.413 0.514 4.984 1.00 0.00 C ATOM 0 H ALA A 474 -0.546 1.112 4.695 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.136 -1.196 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.228 -0.090 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.612 0.746 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.336 1.441 4.415 1.00 0.00 H new ATOM 788 N PHE A 475 -2.513 -1.698 2.924 1.00 0.00 N ATOM 789 CA PHE A 475 -2.592 -2.039 1.503 1.00 0.00 C ATOM 790 C PHE A 475 -3.847 -1.407 0.878 1.00 0.00 C ATOM 791 O PHE A 475 -4.877 -1.272 1.548 1.00 0.00 O ATOM 792 CB PHE A 475 -2.644 -3.563 1.310 1.00 0.00 C ATOM 793 CG PHE A 475 -1.397 -4.321 1.727 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.171 -4.082 1.077 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.473 -5.309 2.727 1.00 0.00 C ATOM 796 CE1 PHE A 475 0.980 -4.800 1.448 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.331 -6.052 3.072 1.00 0.00 C ATOM 798 CZ PHE A 475 0.897 -5.789 2.443 1.00 0.00 C ATOM 0 H PHE A 475 -3.031 -2.341 3.522 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.701 -1.650 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.491 -3.954 1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.839 -3.771 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.114 -3.344 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.410 -5.496 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.925 -4.592 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.398 -6.826 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.778 -6.347 2.724 1.00 0.00 H new ATOM 808 N VAL A 476 -3.787 -1.070 -0.416 1.00 0.00 N ATOM 809 CA VAL A 476 -4.915 -0.499 -1.177 1.00 0.00 C ATOM 810 C VAL A 476 -4.998 -1.122 -2.573 1.00 0.00 C ATOM 811 O VAL A 476 -4.102 -0.951 -3.399 1.00 0.00 O ATOM 812 CB VAL A 476 -4.845 1.044 -1.265 1.00 0.00 C ATOM 813 CG1 VAL A 476 -6.047 1.612 -2.034 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.849 1.692 0.128 1.00 0.00 C ATOM 0 H VAL A 476 -2.943 -1.186 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.826 -0.744 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.914 1.275 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.970 2.698 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.056 1.207 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.969 1.335 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.799 2.776 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.764 1.419 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.987 1.341 0.695 1.00 0.00 H new ATOM 824 N SER A 477 -6.078 -1.854 -2.843 1.00 0.00 N ATOM 825 CA SER A 477 -6.413 -2.400 -4.166 1.00 0.00 C ATOM 826 C SER A 477 -6.998 -1.315 -5.078 1.00 0.00 C ATOM 827 O SER A 477 -7.831 -0.526 -4.626 1.00 0.00 O ATOM 828 CB SER A 477 -7.476 -3.498 -4.022 1.00 0.00 C ATOM 829 OG SER A 477 -7.087 -4.497 -3.092 1.00 0.00 O ATOM 0 H SER A 477 -6.767 -2.093 -2.129 1.00 0.00 H new ATOM 0 HA SER A 477 -5.494 -2.795 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.417 -3.051 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.656 -3.958 -4.994 1.00 0.00 H new ATOM 0 HG SER A 477 -7.791 -5.176 -3.028 1.00 0.00 H new ATOM 835 N LEU A 478 -6.643 -1.329 -6.367 1.00 0.00 N ATOM 836 CA LEU A 478 -7.227 -0.483 -7.423 1.00 0.00 C ATOM 837 C LEU A 478 -7.841 -1.354 -8.540 1.00 0.00 C ATOM 838 O LEU A 478 -7.568 -2.555 -8.617 1.00 0.00 O ATOM 839 CB LEU A 478 -6.144 0.456 -7.996 1.00 0.00 C ATOM 840 CG LEU A 478 -5.440 1.393 -6.994 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.473 2.297 -7.757 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.405 2.304 -6.234 1.00 0.00 C ATOM 0 H LEU A 478 -5.915 -1.951 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 478 -8.025 0.121 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.384 -0.157 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.601 1.070 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.936 0.751 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.970 2.964 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.732 1.685 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.026 2.888 -8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.843 2.936 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.948 2.930 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.113 1.695 -5.671 1.00 0.00 H new ATOM 854 N SER A 479 -8.662 -0.774 -9.422 1.00 0.00 N ATOM 855 CA SER A 479 -9.337 -1.516 -10.507 1.00 0.00 C ATOM 856 C SER A 479 -8.380 -2.134 -11.538 1.00 0.00 C ATOM 857 O SER A 479 -8.708 -3.168 -12.124 1.00 0.00 O ATOM 858 CB SER A 479 -10.334 -0.623 -11.259 1.00 0.00 C ATOM 859 OG SER A 479 -11.342 -0.133 -10.392 1.00 0.00 O ATOM 0 H SER A 479 -8.881 0.222 -9.409 1.00 0.00 H new ATOM 0 HA SER A 479 -9.851 -2.331 -9.997 1.00 0.00 H new ATOM 0 HB2 SER A 479 -9.804 0.214 -11.714 1.00 0.00 H new ATOM 0 HB3 SER A 479 -10.792 -1.189 -12.070 1.00 0.00 H new ATOM 0 HG SER A 479 -11.961 0.434 -10.898 1.00 0.00 H new ATOM 865 N GLN A 480 -7.208 -1.525 -11.770 1.00 0.00 N ATOM 866 CA GLN A 480 -6.223 -1.960 -12.776 1.00 0.00 C ATOM 867 C GLN A 480 -4.768 -1.695 -12.328 1.00 0.00 C ATOM 868 O GLN A 480 -4.515 -0.718 -11.615 1.00 0.00 O ATOM 869 CB GLN A 480 -6.472 -1.204 -14.099 1.00 0.00 C ATOM 870 CG GLN A 480 -7.796 -1.561 -14.795 1.00 0.00 C ATOM 871 CD GLN A 480 -7.936 -0.896 -16.165 1.00 0.00 C ATOM 872 OE1 GLN A 480 -7.617 0.271 -16.367 1.00 0.00 O ATOM 873 NE2 GLN A 480 -8.432 -1.599 -17.164 1.00 0.00 N ATOM 0 H GLN A 480 -6.910 -0.698 -11.253 1.00 0.00 H new ATOM 0 HA GLN A 480 -6.349 -3.035 -12.906 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.458 -0.133 -13.899 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.649 -1.412 -14.783 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -7.861 -2.643 -14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.629 -1.258 -14.161 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -8.704 -2.571 -17.018 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -8.544 -1.171 -18.083 1.00 0.00 H new ATOM 882 N PRO A 481 -3.779 -2.482 -12.800 1.00 0.00 N ATOM 883 CA PRO A 481 -2.355 -2.212 -12.571 1.00 0.00 C ATOM 884 C PRO A 481 -1.835 -0.971 -13.326 1.00 0.00 C ATOM 885 O PRO A 481 -0.807 -0.403 -12.959 1.00 0.00 O ATOM 886 CB PRO A 481 -1.630 -3.491 -12.998 1.00 0.00 C ATOM 887 CG PRO A 481 -2.539 -4.075 -14.077 1.00 0.00 C ATOM 888 CD PRO A 481 -3.939 -3.694 -13.596 1.00 0.00 C ATOM 0 HA PRO A 481 -2.174 -1.968 -11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -0.634 -3.277 -13.385 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -1.506 -4.180 -12.162 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -2.322 -3.654 -15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -2.422 -5.155 -14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -4.607 -3.520 -14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -4.378 -4.495 -13.002 1.00 0.00 H new ATOM 896 N GLU A 482 -2.556 -0.485 -14.342 1.00 0.00 N ATOM 897 CA GLU A 482 -2.280 0.815 -14.977 1.00 0.00 C ATOM 898 C GLU A 482 -2.465 1.981 -13.984 1.00 0.00 C ATOM 899 O GLU A 482 -1.702 2.947 -14.003 1.00 0.00 O ATOM 900 CB GLU A 482 -3.201 1.018 -16.195 1.00 0.00 C ATOM 901 CG GLU A 482 -2.774 0.232 -17.446 1.00 0.00 C ATOM 902 CD GLU A 482 -2.845 -1.300 -17.286 1.00 0.00 C ATOM 903 OE1 GLU A 482 -3.907 -1.825 -16.872 1.00 0.00 O ATOM 904 OE2 GLU A 482 -1.842 -1.990 -17.591 1.00 0.00 O ATOM 0 H GLU A 482 -3.349 -0.980 -14.750 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.240 0.809 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.215 0.724 -15.923 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.232 2.080 -16.440 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.408 0.528 -18.281 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -1.753 0.512 -17.706 1.00 0.00 H new ATOM 911 N GLN A 483 -3.443 1.876 -13.075 1.00 0.00 N ATOM 912 CA GLN A 483 -3.711 2.877 -12.033 1.00 0.00 C ATOM 913 C GLN A 483 -2.678 2.827 -10.894 1.00 0.00 C ATOM 914 O GLN A 483 -2.340 3.861 -10.318 1.00 0.00 O ATOM 915 CB GLN A 483 -5.123 2.663 -11.472 1.00 0.00 C ATOM 916 CG GLN A 483 -6.221 2.804 -12.541 1.00 0.00 C ATOM 917 CD GLN A 483 -7.609 2.539 -11.967 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.818 1.650 -11.153 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.607 3.303 -12.356 1.00 0.00 N ATOM 0 H GLN A 483 -4.081 1.081 -13.042 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.634 3.863 -12.492 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.184 1.671 -11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.305 3.384 -10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.189 3.808 -12.965 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.026 2.107 -13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.445 4.047 -13.034 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.543 3.151 -11.979 1.00 0.00 H new ATOM 928 N VAL A 484 -2.120 1.642 -10.610 1.00 0.00 N ATOM 929 CA VAL A 484 -0.984 1.465 -9.684 1.00 0.00 C ATOM 930 C VAL A 484 0.220 2.307 -10.118 1.00 0.00 C ATOM 931 O VAL A 484 0.798 3.019 -9.295 1.00 0.00 O ATOM 932 CB VAL A 484 -0.629 -0.034 -9.550 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.773 -0.314 -8.998 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.658 -0.738 -8.662 1.00 0.00 C ATOM 0 H VAL A 484 -2.446 0.767 -11.020 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.278 1.824 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.644 -0.424 -10.568 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.933 -1.391 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.519 0.128 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.866 0.121 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.400 -1.793 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.659 -0.280 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.648 -0.643 -9.107 1.00 0.00 H new ATOM 944 N GLN A 485 0.561 2.305 -11.412 1.00 0.00 N ATOM 945 CA GLN A 485 1.645 3.132 -11.957 1.00 0.00 C ATOM 946 C GLN A 485 1.389 4.639 -11.754 1.00 0.00 C ATOM 947 O GLN A 485 2.305 5.371 -11.369 1.00 0.00 O ATOM 948 CB GLN A 485 1.844 2.782 -13.442 1.00 0.00 C ATOM 949 CG GLN A 485 3.084 3.456 -14.050 1.00 0.00 C ATOM 950 CD GLN A 485 3.293 3.038 -15.505 1.00 0.00 C ATOM 951 OE1 GLN A 485 3.853 1.990 -15.808 1.00 0.00 O ATOM 952 NE2 GLN A 485 2.855 3.829 -16.464 1.00 0.00 N ATOM 0 H GLN A 485 0.093 1.729 -12.112 1.00 0.00 H new ATOM 0 HA GLN A 485 2.562 2.911 -11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 485 1.935 1.701 -13.547 1.00 0.00 H new ATOM 0 HB3 GLN A 485 0.960 3.083 -14.004 1.00 0.00 H new ATOM 0 HG2 GLN A 485 2.975 4.539 -13.994 1.00 0.00 H new ATOM 0 HG3 GLN A 485 3.965 3.194 -13.465 1.00 0.00 H new ATOM 0 HE21 GLN A 485 2.387 4.704 -16.229 1.00 0.00 H new ATOM 0 HE22 GLN A 485 2.984 3.566 -17.441 1.00 0.00 H new ATOM 961 N ILE A 486 0.148 5.101 -11.953 1.00 0.00 N ATOM 962 CA ILE A 486 -0.254 6.501 -11.719 1.00 0.00 C ATOM 963 C ILE A 486 -0.058 6.882 -10.244 1.00 0.00 C ATOM 964 O ILE A 486 0.605 7.876 -9.957 1.00 0.00 O ATOM 965 CB ILE A 486 -1.708 6.755 -12.195 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.824 6.528 -13.723 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.172 8.182 -11.839 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.261 6.554 -14.261 1.00 0.00 C ATOM 0 H ILE A 486 -0.615 4.511 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 486 0.392 7.147 -12.314 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.355 6.046 -11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.243 7.294 -14.237 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.374 5.567 -13.970 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.195 8.329 -12.186 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.132 8.319 -10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.518 8.908 -12.321 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.249 6.387 -15.338 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.844 5.770 -13.778 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.711 7.524 -14.049 1.00 0.00 H new ATOM 980 N ALA A 487 -0.570 6.081 -9.305 1.00 0.00 N ATOM 981 CA ALA A 487 -0.459 6.351 -7.867 1.00 0.00 C ATOM 982 C ALA A 487 0.996 6.360 -7.348 1.00 0.00 C ATOM 983 O ALA A 487 1.356 7.175 -6.496 1.00 0.00 O ATOM 984 CB ALA A 487 -1.294 5.299 -7.134 1.00 0.00 C ATOM 0 H ALA A 487 -1.076 5.222 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.832 7.357 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.234 5.471 -6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.333 5.371 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.911 4.305 -7.365 1.00 0.00 H new ATOM 990 N VAL A 488 1.861 5.486 -7.879 1.00 0.00 N ATOM 991 CA VAL A 488 3.307 5.513 -7.592 1.00 0.00 C ATOM 992 C VAL A 488 3.961 6.789 -8.146 1.00 0.00 C ATOM 993 O VAL A 488 4.762 7.414 -7.447 1.00 0.00 O ATOM 994 CB VAL A 488 3.992 4.236 -8.123 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.523 4.285 -8.022 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.533 3.015 -7.314 1.00 0.00 C ATOM 0 H VAL A 488 1.582 4.741 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 488 3.441 5.532 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 488 3.707 4.164 -9.173 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.943 3.358 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.899 5.126 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.815 4.406 -6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.022 2.120 -7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.798 3.153 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.452 2.904 -7.404 1.00 0.00 H new ATOM 1006 N ASN A 489 3.591 7.231 -9.356 1.00 0.00 N ATOM 1007 CA ASN A 489 4.097 8.476 -9.948 1.00 0.00 C ATOM 1008 C ASN A 489 3.701 9.725 -9.141 1.00 0.00 C ATOM 1009 O ASN A 489 4.529 10.603 -8.905 1.00 0.00 O ATOM 1010 CB ASN A 489 3.586 8.598 -11.395 1.00 0.00 C ATOM 1011 CG ASN A 489 4.280 9.722 -12.152 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.499 9.803 -12.219 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.534 10.631 -12.742 1.00 0.00 N ATOM 0 H ASN A 489 2.930 6.733 -9.953 1.00 0.00 H new ATOM 0 HA ASN A 489 5.186 8.426 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.748 7.655 -11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.511 8.777 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.972 11.398 -13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.517 10.569 -12.690 1.00 0.00 H new ATOM 1020 N THR A 490 2.445 9.811 -8.693 1.00 0.00 N ATOM 1021 CA THR A 490 1.922 10.966 -7.940 1.00 0.00 C ATOM 1022 C THR A 490 2.527 11.092 -6.536 1.00 0.00 C ATOM 1023 O THR A 490 2.697 12.206 -6.033 1.00 0.00 O ATOM 1024 CB THR A 490 0.384 10.923 -7.878 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.100 9.688 -7.404 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.211 11.144 -9.273 1.00 0.00 C ATOM 0 H THR A 490 1.753 9.077 -8.842 1.00 0.00 H new ATOM 0 HA THR A 490 2.228 11.859 -8.485 1.00 0.00 H new ATOM 0 HB THR A 490 0.085 11.713 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.653 9.126 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.299 11.111 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.102 12.117 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.140 10.362 -9.946 1.00 0.00 H new ATOM 1034 N SER A 491 2.949 9.976 -5.930 1.00 0.00 N ATOM 1035 CA SER A 491 3.651 9.945 -4.636 1.00 0.00 C ATOM 1036 C SER A 491 5.041 10.605 -4.651 1.00 0.00 C ATOM 1037 O SER A 491 5.546 10.985 -3.592 1.00 0.00 O ATOM 1038 CB SER A 491 3.764 8.498 -4.158 1.00 0.00 C ATOM 1039 OG SER A 491 4.212 8.428 -2.813 1.00 0.00 O ATOM 0 H SER A 491 2.810 9.049 -6.332 1.00 0.00 H new ATOM 0 HA SER A 491 3.052 10.540 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 491 2.794 8.008 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 491 4.455 7.954 -4.802 1.00 0.00 H new ATOM 0 HG SER A 491 4.790 9.195 -2.620 1.00 0.00 H new ATOM 1045 N LYS A 492 5.657 10.806 -5.828 1.00 0.00 N ATOM 1046 CA LYS A 492 6.953 11.503 -5.993 1.00 0.00 C ATOM 1047 C LYS A 492 6.948 12.962 -5.500 1.00 0.00 C ATOM 1048 O LYS A 492 8.016 13.547 -5.310 1.00 0.00 O ATOM 1049 CB LYS A 492 7.399 11.445 -7.464 1.00 0.00 C ATOM 1050 CG LYS A 492 7.705 10.011 -7.931 1.00 0.00 C ATOM 1051 CD LYS A 492 7.944 9.923 -9.444 1.00 0.00 C ATOM 1052 CE LYS A 492 9.160 10.735 -9.907 1.00 0.00 C ATOM 1053 NZ LYS A 492 9.371 10.600 -11.370 1.00 0.00 N ATOM 0 H LYS A 492 5.264 10.484 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 492 7.664 10.973 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.618 11.870 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 492 8.287 12.064 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.586 9.642 -7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 492 6.875 9.359 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 492 8.083 8.879 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 492 7.056 10.278 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 492 9.017 11.785 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 492 10.050 10.397 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 10.200 11.160 -11.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 9.531 9.600 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.530 10.945 -11.875 1.00 0.00 H new ATOM 1067 N TYR A 493 5.761 13.530 -5.265 1.00 0.00 N ATOM 1068 CA TYR A 493 5.533 14.928 -4.871 1.00 0.00 C ATOM 1069 C TYR A 493 4.629 15.054 -3.622 1.00 0.00 C ATOM 1070 O TYR A 493 4.137 16.145 -3.312 1.00 0.00 O ATOM 1071 CB TYR A 493 4.968 15.687 -6.085 1.00 0.00 C ATOM 1072 CG TYR A 493 5.784 15.511 -7.356 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.992 16.218 -7.522 1.00 0.00 C ATOM 1074 CD2 TYR A 493 5.368 14.593 -8.342 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.788 16.003 -8.666 1.00 0.00 C ATOM 1076 CE2 TYR A 493 6.161 14.375 -9.486 1.00 0.00 C ATOM 1077 CZ TYR A 493 7.377 15.074 -9.648 1.00 0.00 C ATOM 1078 OH TYR A 493 8.147 14.843 -10.747 1.00 0.00 O ATOM 0 H TYR A 493 4.891 13.005 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 493 6.481 15.376 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.948 15.349 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.913 16.749 -5.844 1.00 0.00 H new ATOM 0 HD1 TYR A 493 7.309 16.926 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 493 4.439 14.056 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 493 8.712 16.548 -8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.838 13.672 -10.240 1.00 0.00 H new ATOM 0 HH TYR A 493 7.712 14.174 -11.316 1.00 0.00 H new ATOM 1088 N ALA A 494 4.395 13.949 -2.902 1.00 0.00 N ATOM 1089 CA ALA A 494 3.635 13.907 -1.651 1.00 0.00 C ATOM 1090 C ALA A 494 4.316 14.686 -0.503 1.00 0.00 C ATOM 1091 O ALA A 494 5.532 14.904 -0.502 1.00 0.00 O ATOM 1092 CB ALA A 494 3.437 12.435 -1.270 1.00 0.00 C ATOM 0 H ALA A 494 4.741 13.032 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 494 2.676 14.400 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.873 12.373 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.889 11.925 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.409 11.960 -1.137 1.00 0.00 H new ATOM 1098 N GLU A 495 3.528 15.063 0.510 1.00 0.00 N ATOM 1099 CA GLU A 495 3.981 15.843 1.683 1.00 0.00 C ATOM 1100 C GLU A 495 3.411 15.365 3.040 1.00 0.00 C ATOM 1101 O GLU A 495 3.752 15.923 4.087 1.00 0.00 O ATOM 1102 CB GLU A 495 3.697 17.340 1.446 1.00 0.00 C ATOM 1103 CG GLU A 495 2.202 17.689 1.367 1.00 0.00 C ATOM 1104 CD GLU A 495 2.004 19.202 1.153 1.00 0.00 C ATOM 1105 OE1 GLU A 495 1.918 19.958 2.154 1.00 0.00 O ATOM 1106 OE2 GLU A 495 1.924 19.653 -0.017 1.00 0.00 O ATOM 0 H GLU A 495 2.535 14.833 0.545 1.00 0.00 H new ATOM 0 HA GLU A 495 5.054 15.674 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 495 4.152 17.917 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.181 17.649 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 495 1.738 17.138 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 495 1.702 17.378 2.285 1.00 0.00 H new ATOM 1113 N SER A 496 2.563 14.328 3.039 1.00 0.00 N ATOM 1114 CA SER A 496 1.907 13.761 4.238 1.00 0.00 C ATOM 1115 C SER A 496 1.727 12.228 4.160 1.00 0.00 C ATOM 1116 O SER A 496 1.129 11.615 5.043 1.00 0.00 O ATOM 1117 CB SER A 496 0.567 14.489 4.441 1.00 0.00 C ATOM 1118 OG SER A 496 -0.005 14.252 5.720 1.00 0.00 O ATOM 0 H SER A 496 2.303 13.842 2.181 1.00 0.00 H new ATOM 0 HA SER A 496 2.552 13.922 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.718 15.560 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 496 -0.134 14.169 3.670 1.00 0.00 H new ATOM 0 HG SER A 496 -0.852 14.739 5.795 1.00 0.00 H new ATOM 1124 N TYR A 497 2.248 11.583 3.111 1.00 0.00 N ATOM 1125 CA TYR A 497 2.126 10.140 2.852 1.00 0.00 C ATOM 1126 C TYR A 497 3.226 9.639 1.891 1.00 0.00 C ATOM 1127 O TYR A 497 3.993 10.434 1.334 1.00 0.00 O ATOM 1128 CB TYR A 497 0.725 9.845 2.276 1.00 0.00 C ATOM 1129 CG TYR A 497 0.465 10.443 0.901 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.010 11.763 0.772 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.728 9.680 -0.252 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.208 12.326 -0.504 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.545 10.242 -1.531 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.077 11.567 -1.661 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.088 12.107 -2.900 1.00 0.00 O ATOM 0 H TYR A 497 2.786 12.067 2.392 1.00 0.00 H new ATOM 0 HA TYR A 497 2.255 9.606 3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.590 8.765 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.026 10.224 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.223 12.346 1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.071 8.660 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.577 13.337 -0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.763 9.658 -2.413 1.00 0.00 H new ATOM 0 HH TYR A 497 0.156 11.445 -3.580 1.00 0.00 H new ATOM 1145 N ARG A 498 3.278 8.321 1.667 1.00 0.00 N ATOM 1146 CA ARG A 498 4.087 7.639 0.638 1.00 0.00 C ATOM 1147 C ARG A 498 3.335 6.418 0.092 1.00 0.00 C ATOM 1148 O ARG A 498 2.608 5.762 0.838 1.00 0.00 O ATOM 1149 CB ARG A 498 5.452 7.245 1.243 1.00 0.00 C ATOM 1150 CG ARG A 498 6.372 6.531 0.238 1.00 0.00 C ATOM 1151 CD ARG A 498 7.766 6.255 0.816 1.00 0.00 C ATOM 1152 NE ARG A 498 8.581 5.466 -0.133 1.00 0.00 N ATOM 1153 CZ ARG A 498 8.584 4.152 -0.283 1.00 0.00 C ATOM 1154 NH1 ARG A 498 7.901 3.355 0.484 1.00 0.00 N ATOM 1155 NH2 ARG A 498 9.281 3.585 -1.224 1.00 0.00 N ATOM 0 H ARG A 498 2.731 7.664 2.224 1.00 0.00 H new ATOM 0 HA ARG A 498 4.263 8.313 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.952 8.141 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.288 6.595 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 498 5.914 5.589 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.468 7.141 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 498 8.267 7.198 1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 498 7.674 5.716 1.759 1.00 0.00 H new ATOM 0 HE ARG A 498 9.210 5.993 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 498 7.332 3.738 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 498 7.934 2.347 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 498 9.837 4.155 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 498 9.271 2.570 -1.325 1.00 0.00 H new ATOM 1169 N ILE A 499 3.545 6.099 -1.186 1.00 0.00 N ATOM 1170 CA ILE A 499 2.950 4.964 -1.911 1.00 0.00 C ATOM 1171 C ILE A 499 4.057 4.165 -2.616 1.00 0.00 C ATOM 1172 O ILE A 499 4.991 4.734 -3.187 1.00 0.00 O ATOM 1173 CB ILE A 499 1.913 5.457 -2.954 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.806 6.318 -2.303 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.283 4.277 -3.717 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.101 7.049 -3.300 1.00 0.00 C ATOM 0 H ILE A 499 4.166 6.651 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 499 2.437 4.324 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 499 2.455 6.083 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.189 5.678 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.273 7.054 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.561 4.655 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.063 3.723 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.778 3.616 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.847 7.628 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.500 7.719 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.601 6.321 -3.938 1.00 0.00 H new ATOM 1188 N GLN A 500 3.918 2.840 -2.617 1.00 0.00 N ATOM 1189 CA GLN A 500 4.710 1.892 -3.408 1.00 0.00 C ATOM 1190 C GLN A 500 3.820 0.718 -3.856 1.00 0.00 C ATOM 1191 O GLN A 500 2.709 0.553 -3.351 1.00 0.00 O ATOM 1192 CB GLN A 500 5.945 1.445 -2.601 1.00 0.00 C ATOM 1193 CG GLN A 500 5.622 0.609 -1.349 1.00 0.00 C ATOM 1194 CD GLN A 500 6.833 0.368 -0.448 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.971 0.717 -0.742 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.635 -0.165 0.735 1.00 0.00 N ATOM 0 H GLN A 500 3.218 2.374 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 500 5.082 2.369 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.598 0.863 -3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.504 2.330 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.846 1.115 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.213 -0.352 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.700 -0.465 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.417 -0.279 1.380 1.00 0.00 H new ATOM 1205 N THR A 501 4.264 -0.104 -4.810 1.00 0.00 N ATOM 1206 CA THR A 501 3.508 -1.308 -5.211 1.00 0.00 C ATOM 1207 C THR A 501 3.564 -2.399 -4.131 1.00 0.00 C ATOM 1208 O THR A 501 4.452 -2.406 -3.272 1.00 0.00 O ATOM 1209 CB THR A 501 4.000 -1.887 -6.549 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.261 -2.491 -6.394 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.137 -0.833 -7.647 1.00 0.00 C ATOM 0 H THR A 501 5.136 0.035 -5.320 1.00 0.00 H new ATOM 0 HA THR A 501 2.475 -0.985 -5.336 1.00 0.00 H new ATOM 0 HB THR A 501 3.242 -2.611 -6.846 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.557 -2.855 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.488 -1.306 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.168 -0.367 -7.827 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.853 -0.073 -7.334 1.00 0.00 H new ATOM 1219 N TYR A 502 2.650 -3.372 -4.192 1.00 0.00 N ATOM 1220 CA TYR A 502 2.736 -4.587 -3.374 1.00 0.00 C ATOM 1221 C TYR A 502 4.063 -5.341 -3.604 1.00 0.00 C ATOM 1222 O TYR A 502 4.688 -5.811 -2.653 1.00 0.00 O ATOM 1223 CB TYR A 502 1.527 -5.483 -3.678 1.00 0.00 C ATOM 1224 CG TYR A 502 1.535 -6.790 -2.912 1.00 0.00 C ATOM 1225 CD1 TYR A 502 1.158 -6.807 -1.555 1.00 0.00 C ATOM 1226 CD2 TYR A 502 1.961 -7.978 -3.538 1.00 0.00 C ATOM 1227 CE1 TYR A 502 1.235 -8.000 -0.813 1.00 0.00 C ATOM 1228 CE2 TYR A 502 2.035 -9.175 -2.801 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.696 -9.182 -1.431 1.00 0.00 C ATOM 1230 OH TYR A 502 1.747 -10.351 -0.735 1.00 0.00 O ATOM 0 H TYR A 502 1.835 -3.341 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 502 2.720 -4.303 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.613 -4.938 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.503 -5.697 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.809 -5.901 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 502 2.231 -7.970 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 502 0.942 -8.011 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.351 -10.088 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 502 1.043 -10.357 -0.053 1.00 0.00 H new ATOM 1240 N ALA A 503 4.537 -5.399 -4.854 1.00 0.00 N ATOM 1241 CA ALA A 503 5.815 -6.017 -5.212 1.00 0.00 C ATOM 1242 C ALA A 503 7.037 -5.289 -4.608 1.00 0.00 C ATOM 1243 O ALA A 503 7.985 -5.944 -4.178 1.00 0.00 O ATOM 1244 CB ALA A 503 5.909 -6.097 -6.740 1.00 0.00 C ATOM 0 H ALA A 503 4.036 -5.013 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 503 5.840 -7.018 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 503 6.857 -6.556 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.086 -6.699 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 503 5.852 -5.093 -7.161 1.00 0.00 H new ATOM 1250 N GLU A 504 7.020 -3.954 -4.518 1.00 0.00 N ATOM 1251 CA GLU A 504 8.065 -3.175 -3.834 1.00 0.00 C ATOM 1252 C GLU A 504 8.068 -3.417 -2.316 1.00 0.00 C ATOM 1253 O GLU A 504 9.139 -3.592 -1.728 1.00 0.00 O ATOM 1254 CB GLU A 504 7.893 -1.674 -4.121 1.00 0.00 C ATOM 1255 CG GLU A 504 8.332 -1.260 -5.533 1.00 0.00 C ATOM 1256 CD GLU A 504 9.864 -1.298 -5.697 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.543 -0.304 -5.336 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.405 -2.315 -6.195 1.00 0.00 O ATOM 0 H GLU A 504 6.279 -3.379 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 504 9.024 -3.513 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.846 -1.404 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.468 -1.105 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 504 7.873 -1.925 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.970 -0.254 -5.745 1.00 0.00 H new ATOM 1265 N TYR A 505 6.891 -3.499 -1.681 1.00 0.00 N ATOM 1266 CA TYR A 505 6.771 -3.883 -0.268 1.00 0.00 C ATOM 1267 C TYR A 505 7.351 -5.287 -0.014 1.00 0.00 C ATOM 1268 O TYR A 505 8.196 -5.460 0.867 1.00 0.00 O ATOM 1269 CB TYR A 505 5.302 -3.786 0.175 1.00 0.00 C ATOM 1270 CG TYR A 505 5.048 -4.344 1.564 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.263 -3.542 2.700 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.642 -5.686 1.718 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.076 -4.075 3.991 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.466 -6.226 3.006 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.680 -5.423 4.147 1.00 0.00 C ATOM 1276 OH TYR A 505 4.514 -5.957 5.388 1.00 0.00 O ATOM 0 H TYR A 505 5.997 -3.302 -2.131 1.00 0.00 H new ATOM 0 HA TYR A 505 7.359 -3.189 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.992 -2.741 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.679 -4.321 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.573 -2.514 2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.466 -6.300 0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.235 -3.454 4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.167 -7.257 3.121 1.00 0.00 H new ATOM 0 HH TYR A 505 4.239 -6.894 5.307 1.00 0.00 H new