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 439 HIS : no HD1:sc= 0.337 K(o=0.34,f=-1.8!) USER MOD Set 1.2: A 477 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 442 HIS : no HD1:sc= 0.605 K(o=1.7,f=-2.1) USER MOD Set 2.2: A 500 GLN : amide:sc= 1.11 K(o=1.7,f=-0.73) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.853) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0636 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= 0.478 X(o=0.48,f=0) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc=0.000732 K(o=0.00073,f=-0.75) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.0082) 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 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 483 GLN : amide:sc= 0.414 K(o=0.41,f=-1) USER MOD Single : A 485 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 490 THR OG1 : rot -79:sc= 0.763 USER MOD Single : A 491 SER OG : rot -64:sc= 0.999 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 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot -119:sc= 1.25 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -0.515 -10.009 -6.305 1.00 0.00 N ATOM 174 CA ARG A 437 -1.312 -8.766 -6.163 1.00 0.00 C ATOM 175 C ARG A 437 -0.856 -7.566 -7.020 1.00 0.00 C ATOM 176 O ARG A 437 -0.643 -6.464 -6.516 1.00 0.00 O ATOM 177 CB ARG A 437 -1.438 -8.410 -4.671 1.00 0.00 C ATOM 178 CG ARG A 437 -1.929 -9.563 -3.783 1.00 0.00 C ATOM 179 CD ARG A 437 -2.149 -9.049 -2.360 1.00 0.00 C ATOM 180 NE ARG A 437 -2.362 -10.160 -1.410 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.133 -10.146 -0.110 1.00 0.00 C ATOM 182 NH1 ARG A 437 -1.741 -9.076 0.522 1.00 0.00 N ATOM 183 NH2 ARG A 437 -2.300 -11.223 0.596 1.00 0.00 N ATOM 0 HA ARG A 437 -2.294 -8.989 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 437 -0.467 -8.075 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 437 -2.125 -7.570 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -2.857 -9.973 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 437 -1.198 -10.372 -3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.286 -8.461 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -3.012 -8.383 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 437 -2.724 -11.030 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -1.600 -8.205 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -1.576 -9.110 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -2.609 -12.085 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -2.122 -11.207 1.600 1.00 0.00 H new ATOM 197 N ASP A 438 -0.695 -7.773 -8.327 1.00 0.00 N ATOM 198 CA ASP A 438 -0.208 -6.754 -9.279 1.00 0.00 C ATOM 199 C ASP A 438 -1.126 -5.518 -9.428 1.00 0.00 C ATOM 200 O ASP A 438 -0.694 -4.472 -9.916 1.00 0.00 O ATOM 201 CB ASP A 438 0.070 -7.412 -10.639 1.00 0.00 C ATOM 202 CG ASP A 438 -1.195 -7.970 -11.308 1.00 0.00 C ATOM 203 OD1 ASP A 438 -1.605 -9.102 -10.956 1.00 0.00 O ATOM 204 OD2 ASP A 438 -1.771 -7.293 -12.191 1.00 0.00 O ATOM 0 H ASP A 438 -0.901 -8.668 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 438 0.716 -6.357 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.532 -6.681 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 438 0.789 -8.220 -10.505 1.00 0.00 H new ATOM 209 N HIS A 439 -2.376 -5.616 -8.964 1.00 0.00 N ATOM 210 CA HIS A 439 -3.392 -4.554 -8.933 1.00 0.00 C ATOM 211 C HIS A 439 -3.478 -3.815 -7.576 1.00 0.00 C ATOM 212 O HIS A 439 -4.444 -3.089 -7.326 1.00 0.00 O ATOM 213 CB HIS A 439 -4.736 -5.188 -9.323 1.00 0.00 C ATOM 214 CG HIS A 439 -5.244 -6.202 -8.322 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.661 -7.445 -8.047 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.333 -6.040 -7.518 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.422 -8.003 -7.088 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.430 -7.179 -6.752 1.00 0.00 N ATOM 0 H HIS A 439 -2.729 -6.491 -8.576 1.00 0.00 H new ATOM 0 HA HIS A 439 -3.109 -3.777 -9.644 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.480 -4.400 -9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.631 -5.671 -10.295 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.991 -5.184 -7.488 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.248 -8.975 -6.650 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.145 -7.366 -6.049 1.00 0.00 H new ATOM 226 N VAL A 440 -2.485 -3.989 -6.692 1.00 0.00 N ATOM 227 CA VAL A 440 -2.500 -3.503 -5.297 1.00 0.00 C ATOM 228 C VAL A 440 -1.242 -2.689 -4.964 1.00 0.00 C ATOM 229 O VAL A 440 -0.127 -2.992 -5.399 1.00 0.00 O ATOM 230 CB VAL A 440 -2.666 -4.687 -4.316 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.741 -4.267 -2.843 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.943 -5.488 -4.610 1.00 0.00 C ATOM 0 H VAL A 440 -1.625 -4.484 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.355 -2.835 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.770 -5.287 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.857 -5.152 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.825 -3.745 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.594 -3.605 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -4.027 -6.312 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.811 -4.836 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.898 -5.885 -5.624 1.00 0.00 H new ATOM 242 N LEU A 441 -1.440 -1.652 -4.152 1.00 0.00 N ATOM 243 CA LEU A 441 -0.428 -0.756 -3.595 1.00 0.00 C ATOM 244 C LEU A 441 -0.208 -1.017 -2.100 1.00 0.00 C ATOM 245 O LEU A 441 -1.042 -1.615 -1.422 1.00 0.00 O ATOM 246 CB LEU A 441 -0.928 0.696 -3.734 1.00 0.00 C ATOM 247 CG LEU A 441 -1.077 1.211 -5.170 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.879 2.507 -5.151 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.290 1.500 -5.788 1.00 0.00 C ATOM 0 H LEU A 441 -2.379 -1.398 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 441 0.505 -0.925 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.894 0.778 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.238 1.351 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.583 0.448 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.990 2.881 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.864 2.319 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.357 3.249 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.159 1.864 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.805 2.257 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.883 0.586 -5.803 1.00 0.00 H new ATOM 261 N HIS A 442 0.877 -0.457 -1.580 1.00 0.00 N ATOM 262 CA HIS A 442 1.196 -0.310 -0.163 1.00 0.00 C ATOM 263 C HIS A 442 1.374 1.189 0.106 1.00 0.00 C ATOM 264 O HIS A 442 1.965 1.910 -0.704 1.00 0.00 O ATOM 265 CB HIS A 442 2.461 -1.109 0.176 1.00 0.00 C ATOM 266 CG HIS A 442 2.998 -0.798 1.553 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.908 0.220 1.854 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.619 -1.409 2.711 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.051 0.206 3.191 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.301 -0.772 3.725 1.00 0.00 N ATOM 0 H HIS A 442 1.607 -0.067 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 442 0.400 -0.702 0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.241 -2.174 0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.230 -0.895 -0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.923 -2.229 2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.678 0.882 3.753 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.245 -1.005 4.717 1.00 0.00 H new ATOM 278 N VAL A 443 0.831 1.665 1.224 1.00 0.00 N ATOM 279 CA VAL A 443 0.701 3.091 1.554 1.00 0.00 C ATOM 280 C VAL A 443 1.155 3.310 2.995 1.00 0.00 C ATOM 281 O VAL A 443 0.834 2.509 3.876 1.00 0.00 O ATOM 282 CB VAL A 443 -0.760 3.564 1.380 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.893 5.093 1.448 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.364 3.130 0.039 1.00 0.00 C ATOM 0 H VAL A 443 0.457 1.055 1.950 1.00 0.00 H new ATOM 0 HA VAL A 443 1.326 3.673 0.876 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.295 3.096 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.939 5.373 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.538 5.446 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.297 5.546 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.391 3.489 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.777 3.550 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.354 2.042 -0.029 1.00 0.00 H new ATOM 294 N THR A 444 1.875 4.406 3.236 1.00 0.00 N ATOM 295 CA THR A 444 2.439 4.780 4.543 1.00 0.00 C ATOM 296 C THR A 444 2.042 6.220 4.870 1.00 0.00 C ATOM 297 O THR A 444 2.156 7.109 4.023 1.00 0.00 O ATOM 298 CB THR A 444 3.971 4.637 4.552 1.00 0.00 C ATOM 299 OG1 THR A 444 4.381 3.415 3.975 1.00 0.00 O ATOM 300 CG2 THR A 444 4.545 4.638 5.968 1.00 0.00 C ATOM 0 H THR A 444 2.092 5.084 2.505 1.00 0.00 H new ATOM 0 HA THR A 444 2.039 4.106 5.301 1.00 0.00 H new ATOM 0 HB THR A 444 4.336 5.493 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.359 3.356 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.629 4.535 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.291 5.575 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.125 3.805 6.531 1.00 0.00 H new ATOM 308 N PHE A 445 1.558 6.451 6.092 1.00 0.00 N ATOM 309 CA PHE A 445 0.907 7.701 6.505 1.00 0.00 C ATOM 310 C PHE A 445 1.073 7.996 8.016 1.00 0.00 C ATOM 311 O PHE A 445 1.339 7.075 8.799 1.00 0.00 O ATOM 312 CB PHE A 445 -0.589 7.612 6.131 1.00 0.00 C ATOM 313 CG PHE A 445 -1.239 6.257 6.379 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.534 5.832 7.689 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.491 5.389 5.299 1.00 0.00 C ATOM 316 CE1 PHE A 445 -2.052 4.545 7.913 1.00 0.00 C ATOM 317 CE2 PHE A 445 -2.005 4.101 5.522 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.280 3.676 6.831 1.00 0.00 C ATOM 0 H PHE A 445 1.608 5.760 6.841 1.00 0.00 H new ATOM 0 HA PHE A 445 1.389 8.528 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -1.134 8.368 6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.699 7.862 5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.362 6.496 8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.287 5.717 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.276 4.222 8.919 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.188 3.439 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.666 2.683 7.007 1.00 0.00 H new ATOM 328 N PRO A 446 0.904 9.263 8.452 1.00 0.00 N ATOM 329 CA PRO A 446 0.838 9.646 9.866 1.00 0.00 C ATOM 330 C PRO A 446 -0.186 8.843 10.686 1.00 0.00 C ATOM 331 O PRO A 446 -1.244 8.460 10.182 1.00 0.00 O ATOM 332 CB PRO A 446 0.477 11.138 9.873 1.00 0.00 C ATOM 333 CG PRO A 446 0.991 11.643 8.529 1.00 0.00 C ATOM 334 CD PRO A 446 0.788 10.444 7.607 1.00 0.00 C ATOM 0 HA PRO A 446 1.795 9.435 10.343 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.598 11.289 9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 446 0.951 11.660 10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 446 0.433 12.514 8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.039 11.937 8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -0.189 10.484 7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 446 1.535 10.431 6.814 1.00 0.00 H new ATOM 342 N LYS A 447 0.089 8.664 11.985 1.00 0.00 N ATOM 343 CA LYS A 447 -0.769 7.945 12.953 1.00 0.00 C ATOM 344 C LYS A 447 -2.224 8.438 13.025 1.00 0.00 C ATOM 345 O LYS A 447 -3.133 7.676 13.349 1.00 0.00 O ATOM 346 CB LYS A 447 -0.094 7.981 14.339 1.00 0.00 C ATOM 347 CG LYS A 447 -0.082 9.376 14.993 1.00 0.00 C ATOM 348 CD LYS A 447 0.808 9.404 16.245 1.00 0.00 C ATOM 349 CE LYS A 447 0.682 10.713 17.041 1.00 0.00 C ATOM 350 NZ LYS A 447 1.115 11.909 16.270 1.00 0.00 N ATOM 0 H LYS A 447 0.942 9.026 12.411 1.00 0.00 H new ATOM 0 HA LYS A 447 -0.857 6.920 12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.609 7.285 15.001 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.933 7.628 14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.276 10.113 14.274 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.099 9.662 15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.545 8.566 16.890 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.848 9.264 15.949 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.355 10.844 17.351 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.280 10.638 17.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.316 12.691 16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.974 11.681 15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.358 12.192 15.615 1.00 0.00 H new ATOM 364 N GLU A 448 -2.445 9.717 12.717 1.00 0.00 N ATOM 365 CA GLU A 448 -3.749 10.395 12.777 1.00 0.00 C ATOM 366 C GLU A 448 -4.647 10.150 11.546 1.00 0.00 C ATOM 367 O GLU A 448 -5.842 10.455 11.600 1.00 0.00 O ATOM 368 CB GLU A 448 -3.496 11.901 12.969 1.00 0.00 C ATOM 369 CG GLU A 448 -3.036 12.222 14.401 1.00 0.00 C ATOM 370 CD GLU A 448 -2.003 13.361 14.430 1.00 0.00 C ATOM 371 OE1 GLU A 448 -2.390 14.552 14.323 1.00 0.00 O ATOM 372 OE2 GLU A 448 -0.790 13.064 14.577 1.00 0.00 O ATOM 0 H GLU A 448 -1.695 10.335 12.407 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.301 9.973 13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.739 12.236 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -4.408 12.455 12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -3.899 12.499 15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -2.604 11.329 14.852 1.00 0.00 H new ATOM 379 N TRP A 449 -4.116 9.598 10.446 1.00 0.00 N ATOM 380 CA TRP A 449 -4.904 9.271 9.248 1.00 0.00 C ATOM 381 C TRP A 449 -5.942 8.166 9.496 1.00 0.00 C ATOM 382 O TRP A 449 -5.751 7.270 10.329 1.00 0.00 O ATOM 383 CB TRP A 449 -3.987 8.870 8.082 1.00 0.00 C ATOM 384 CG TRP A 449 -3.407 9.992 7.274 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.903 11.155 7.752 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.286 10.076 5.820 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.484 11.947 6.700 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.693 11.330 5.485 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.622 9.218 4.748 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.443 11.715 4.158 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.381 9.595 3.412 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.793 10.839 3.116 1.00 0.00 C ATOM 0 H TRP A 449 -3.127 9.365 10.361 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.450 10.178 8.988 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.165 8.277 8.482 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.551 8.222 7.411 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.838 11.423 8.796 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.071 12.873 6.809 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.071 8.258 4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.988 12.670 3.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -3.649 8.924 2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -2.611 11.120 2.089 1.00 0.00 H new ATOM 403 N LYS A 450 -7.020 8.203 8.706 1.00 0.00 N ATOM 404 CA LYS A 450 -8.166 7.283 8.750 1.00 0.00 C ATOM 405 C LYS A 450 -8.497 6.718 7.364 1.00 0.00 C ATOM 406 O LYS A 450 -8.043 7.230 6.338 1.00 0.00 O ATOM 407 CB LYS A 450 -9.394 8.025 9.328 1.00 0.00 C ATOM 408 CG LYS A 450 -9.210 8.699 10.701 1.00 0.00 C ATOM 409 CD LYS A 450 -8.980 7.706 11.847 1.00 0.00 C ATOM 410 CE LYS A 450 -8.841 8.454 13.176 1.00 0.00 C ATOM 411 NZ LYS A 450 -8.747 7.512 14.320 1.00 0.00 N ATOM 0 H LYS A 450 -7.124 8.912 7.980 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.903 6.441 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.699 8.788 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.216 7.314 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.364 9.384 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -10.093 9.299 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -9.812 7.004 11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -8.081 7.120 11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -7.953 9.086 13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -9.697 9.114 13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.654 8.049 15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -9.606 6.927 14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -7.916 6.899 14.198 1.00 0.00 H new ATOM 425 N THR A 451 -9.365 5.707 7.327 1.00 0.00 N ATOM 426 CA THR A 451 -9.992 5.162 6.108 1.00 0.00 C ATOM 427 C THR A 451 -10.577 6.264 5.214 1.00 0.00 C ATOM 428 O THR A 451 -10.492 6.184 3.992 1.00 0.00 O ATOM 429 CB THR A 451 -11.124 4.187 6.475 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.808 3.405 7.607 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.468 3.232 5.336 1.00 0.00 C ATOM 0 H THR A 451 -9.666 5.223 8.173 1.00 0.00 H new ATOM 0 HA THR A 451 -9.205 4.646 5.559 1.00 0.00 H new ATOM 0 HB THR A 451 -11.982 4.825 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.554 2.801 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.273 2.567 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.789 3.804 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.589 2.642 5.078 1.00 0.00 H new ATOM 439 N SER A 452 -11.122 7.330 5.809 1.00 0.00 N ATOM 440 CA SER A 452 -11.641 8.497 5.085 1.00 0.00 C ATOM 441 C SER A 452 -10.568 9.279 4.317 1.00 0.00 C ATOM 442 O SER A 452 -10.785 9.640 3.160 1.00 0.00 O ATOM 443 CB SER A 452 -12.304 9.464 6.063 1.00 0.00 C ATOM 444 OG SER A 452 -13.441 8.864 6.668 1.00 0.00 O ATOM 0 H SER A 452 -11.217 7.408 6.822 1.00 0.00 H new ATOM 0 HA SER A 452 -12.350 8.098 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.590 9.759 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.601 10.372 5.539 1.00 0.00 H new ATOM 0 HG SER A 452 -13.852 9.498 7.293 1.00 0.00 H new ATOM 450 N ASP A 453 -9.399 9.521 4.923 1.00 0.00 N ATOM 451 CA ASP A 453 -8.260 10.163 4.246 1.00 0.00 C ATOM 452 C ASP A 453 -7.730 9.287 3.103 1.00 0.00 C ATOM 453 O ASP A 453 -7.301 9.790 2.063 1.00 0.00 O ATOM 454 CB ASP A 453 -7.115 10.433 5.235 1.00 0.00 C ATOM 455 CG ASP A 453 -7.545 11.312 6.414 1.00 0.00 C ATOM 456 OD1 ASP A 453 -7.761 12.534 6.219 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.663 10.775 7.539 1.00 0.00 O ATOM 0 H ASP A 453 -9.214 9.278 5.896 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.620 11.108 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.737 9.484 5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.292 10.916 4.708 1.00 0.00 H new ATOM 462 N LEU A 454 -7.809 7.965 3.281 1.00 0.00 N ATOM 463 CA LEU A 454 -7.411 6.980 2.272 1.00 0.00 C ATOM 464 C LEU A 454 -8.392 6.949 1.085 1.00 0.00 C ATOM 465 O LEU A 454 -7.964 7.006 -0.068 1.00 0.00 O ATOM 466 CB LEU A 454 -7.256 5.604 2.944 1.00 0.00 C ATOM 467 CG LEU A 454 -6.017 5.490 3.851 1.00 0.00 C ATOM 468 CD1 LEU A 454 -6.089 4.186 4.643 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.711 5.492 3.052 1.00 0.00 C ATOM 0 H LEU A 454 -8.156 7.543 4.142 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.448 7.268 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.148 5.397 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.201 4.837 2.171 1.00 0.00 H new ATOM 0 HG LEU A 454 -6.018 6.357 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.213 4.102 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.991 4.182 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -6.115 3.342 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.866 5.410 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.704 4.647 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.631 6.421 2.487 1.00 0.00 H new ATOM 481 N TYR A 455 -9.705 6.960 1.337 1.00 0.00 N ATOM 482 CA TYR A 455 -10.709 7.151 0.283 1.00 0.00 C ATOM 483 C TYR A 455 -10.530 8.491 -0.447 1.00 0.00 C ATOM 484 O TYR A 455 -10.551 8.517 -1.675 1.00 0.00 O ATOM 485 CB TYR A 455 -12.132 6.997 0.844 1.00 0.00 C ATOM 486 CG TYR A 455 -12.708 5.608 0.633 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.365 4.555 1.502 1.00 0.00 C ATOM 488 CD2 TYR A 455 -13.566 5.361 -0.459 1.00 0.00 C ATOM 489 CE1 TYR A 455 -12.880 3.261 1.292 1.00 0.00 C ATOM 490 CE2 TYR A 455 -14.085 4.069 -0.674 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.745 3.015 0.201 1.00 0.00 C ATOM 492 OH TYR A 455 -14.252 1.770 -0.012 1.00 0.00 O ATOM 0 H TYR A 455 -10.100 6.838 2.269 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.556 6.367 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.122 7.222 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.784 7.730 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -11.703 4.740 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -13.826 6.165 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.615 2.458 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -14.744 3.885 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.828 1.783 -0.805 1.00 0.00 H new ATOM 502 N GLN A 456 -10.277 9.591 0.272 1.00 0.00 N ATOM 503 CA GLN A 456 -10.003 10.905 -0.326 1.00 0.00 C ATOM 504 C GLN A 456 -8.742 10.911 -1.215 1.00 0.00 C ATOM 505 O GLN A 456 -8.696 11.640 -2.210 1.00 0.00 O ATOM 506 CB GLN A 456 -9.940 11.955 0.800 1.00 0.00 C ATOM 507 CG GLN A 456 -9.875 13.416 0.316 1.00 0.00 C ATOM 508 CD GLN A 456 -8.461 14.003 0.344 1.00 0.00 C ATOM 509 OE1 GLN A 456 -8.015 14.574 1.332 1.00 0.00 O ATOM 510 NE2 GLN A 456 -7.703 13.906 -0.728 1.00 0.00 N ATOM 0 H GLN A 456 -10.256 9.595 1.292 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.816 11.158 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.816 11.837 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.066 11.752 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -10.264 13.472 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.527 14.027 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -8.056 13.434 -1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -6.763 14.302 -0.726 1.00 0.00 H new ATOM 519 N LEU A 457 -7.727 10.101 -0.888 1.00 0.00 N ATOM 520 CA LEU A 457 -6.489 9.964 -1.665 1.00 0.00 C ATOM 521 C LEU A 457 -6.671 9.147 -2.963 1.00 0.00 C ATOM 522 O LEU A 457 -6.041 9.471 -3.972 1.00 0.00 O ATOM 523 CB LEU A 457 -5.412 9.355 -0.743 1.00 0.00 C ATOM 524 CG LEU A 457 -4.038 9.100 -1.394 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.422 10.361 -1.999 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.063 8.567 -0.342 1.00 0.00 C ATOM 0 H LEU A 457 -7.744 9.510 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 457 -6.176 10.951 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.271 10.020 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.788 8.410 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 457 -4.205 8.380 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.456 10.118 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -4.085 10.757 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.285 11.109 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.092 8.387 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.954 9.300 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.447 7.634 0.070 1.00 0.00 H new ATOM 538 N PHE A 458 -7.541 8.128 -2.969 1.00 0.00 N ATOM 539 CA PHE A 458 -7.632 7.154 -4.074 1.00 0.00 C ATOM 540 C PHE A 458 -8.968 7.132 -4.846 1.00 0.00 C ATOM 541 O PHE A 458 -9.048 6.477 -5.887 1.00 0.00 O ATOM 542 CB PHE A 458 -7.252 5.758 -3.555 1.00 0.00 C ATOM 543 CG PHE A 458 -5.809 5.620 -3.106 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.778 5.581 -4.063 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.491 5.505 -1.739 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.440 5.449 -3.657 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.152 5.374 -1.331 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.125 5.349 -2.291 1.00 0.00 C ATOM 0 H PHE A 458 -8.202 7.953 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.918 7.491 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.904 5.506 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.445 5.028 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.017 5.653 -5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.279 5.517 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.652 5.424 -4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.912 5.293 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.095 5.253 -1.979 1.00 0.00 H new ATOM 558 N SER A 459 -9.996 7.880 -4.425 1.00 0.00 N ATOM 559 CA SER A 459 -11.283 7.996 -5.144 1.00 0.00 C ATOM 560 C SER A 459 -11.163 8.503 -6.592 1.00 0.00 C ATOM 561 O SER A 459 -12.022 8.203 -7.424 1.00 0.00 O ATOM 562 CB SER A 459 -12.260 8.898 -4.378 1.00 0.00 C ATOM 563 OG SER A 459 -11.742 10.215 -4.248 1.00 0.00 O ATOM 0 H SER A 459 -9.963 8.430 -3.567 1.00 0.00 H new ATOM 0 HA SER A 459 -11.662 6.975 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 459 -13.217 8.929 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.449 8.479 -3.390 1.00 0.00 H new ATOM 0 HG SER A 459 -12.383 10.772 -3.758 1.00 0.00 H new ATOM 569 N ALA A 460 -10.077 9.214 -6.925 1.00 0.00 N ATOM 570 CA ALA A 460 -9.741 9.652 -8.283 1.00 0.00 C ATOM 571 C ALA A 460 -9.596 8.497 -9.304 1.00 0.00 C ATOM 572 O ALA A 460 -9.742 8.717 -10.510 1.00 0.00 O ATOM 573 CB ALA A 460 -8.453 10.482 -8.204 1.00 0.00 C ATOM 0 H ALA A 460 -9.388 9.508 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 460 -10.573 10.247 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -8.178 10.822 -9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -8.615 11.345 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.650 9.869 -7.795 1.00 0.00 H new ATOM 579 N PHE A 461 -9.343 7.268 -8.836 1.00 0.00 N ATOM 580 CA PHE A 461 -9.237 6.055 -9.658 1.00 0.00 C ATOM 581 C PHE A 461 -10.557 5.258 -9.766 1.00 0.00 C ATOM 582 O PHE A 461 -10.623 4.281 -10.516 1.00 0.00 O ATOM 583 CB PHE A 461 -8.119 5.176 -9.075 1.00 0.00 C ATOM 584 CG PHE A 461 -6.741 5.816 -9.097 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.095 6.056 -10.326 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.102 6.177 -7.895 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.818 6.643 -10.354 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.826 6.774 -7.923 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.183 7.003 -9.152 1.00 0.00 C ATOM 0 H PHE A 461 -9.202 7.084 -7.843 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.004 6.362 -10.677 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.372 4.923 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.081 4.241 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.583 5.788 -11.251 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.591 5.996 -6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.325 6.818 -11.299 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.342 7.056 -7.000 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.202 7.455 -9.173 1.00 0.00 H new ATOM 599 N GLY A 462 -11.605 5.655 -9.033 1.00 0.00 N ATOM 600 CA GLY A 462 -12.882 4.936 -8.927 1.00 0.00 C ATOM 601 C GLY A 462 -13.079 4.305 -7.543 1.00 0.00 C ATOM 602 O GLY A 462 -12.529 4.777 -6.543 1.00 0.00 O ATOM 0 H GLY A 462 -11.587 6.512 -8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.702 5.624 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.923 4.157 -9.689 1.00 0.00 H new ATOM 606 N ASN A 463 -13.875 3.234 -7.477 1.00 0.00 N ATOM 607 CA ASN A 463 -13.995 2.381 -6.287 1.00 0.00 C ATOM 608 C ASN A 463 -12.650 1.715 -5.909 1.00 0.00 C ATOM 609 O ASN A 463 -11.798 1.472 -6.769 1.00 0.00 O ATOM 610 CB ASN A 463 -15.104 1.337 -6.519 1.00 0.00 C ATOM 611 CG ASN A 463 -14.776 0.345 -7.626 1.00 0.00 C ATOM 612 OD1 ASN A 463 -14.842 0.655 -8.809 1.00 0.00 O ATOM 613 ND2 ASN A 463 -14.427 -0.877 -7.290 1.00 0.00 N ATOM 0 H ASN A 463 -14.461 2.930 -8.255 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.269 3.006 -5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.279 0.791 -5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -16.032 1.852 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.212 -1.563 -8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.371 -1.139 -6.306 1.00 0.00 H new ATOM 620 N ILE A 464 -12.480 1.387 -4.623 1.00 0.00 N ATOM 621 CA ILE A 464 -11.242 0.831 -4.038 1.00 0.00 C ATOM 622 C ILE A 464 -11.544 -0.228 -2.960 1.00 0.00 C ATOM 623 O ILE A 464 -12.703 -0.460 -2.602 1.00 0.00 O ATOM 624 CB ILE A 464 -10.344 1.961 -3.458 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.985 2.665 -2.239 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.948 2.973 -4.545 1.00 0.00 C ATOM 627 CD1 ILE A 464 -10.083 3.719 -1.586 1.00 0.00 C ATOM 0 H ILE A 464 -13.222 1.503 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.699 0.336 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.434 1.481 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.914 3.140 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.247 1.914 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -9.321 3.750 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.396 2.462 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.846 3.426 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.602 4.168 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -9.164 3.247 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.841 4.493 -2.315 1.00 0.00 H new ATOM 639 N GLN A 465 -10.494 -0.842 -2.410 1.00 0.00 N ATOM 640 CA GLN A 465 -10.544 -1.704 -1.221 1.00 0.00 C ATOM 641 C GLN A 465 -9.265 -1.488 -0.394 1.00 0.00 C ATOM 642 O GLN A 465 -8.201 -1.243 -0.963 1.00 0.00 O ATOM 643 CB GLN A 465 -10.705 -3.173 -1.656 1.00 0.00 C ATOM 644 CG GLN A 465 -11.096 -4.101 -0.494 1.00 0.00 C ATOM 645 CD GLN A 465 -11.365 -5.535 -0.960 1.00 0.00 C ATOM 646 OE1 GLN A 465 -10.621 -6.125 -1.734 1.00 0.00 O ATOM 647 NE2 GLN A 465 -12.437 -6.156 -0.513 1.00 0.00 N ATOM 0 H GLN A 465 -9.552 -0.751 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.401 -1.449 -0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.465 -3.235 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.770 -3.522 -2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.298 -4.106 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -11.986 -3.708 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.069 -5.682 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -12.635 -7.111 -0.812 1.00 0.00 H new ATOM 656 N ILE A 466 -9.357 -1.575 0.936 1.00 0.00 N ATOM 657 CA ILE A 466 -8.271 -1.240 1.876 1.00 0.00 C ATOM 658 C ILE A 466 -8.080 -2.400 2.865 1.00 0.00 C ATOM 659 O ILE A 466 -9.052 -2.914 3.424 1.00 0.00 O ATOM 660 CB ILE A 466 -8.576 0.096 2.606 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.770 1.261 1.599 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.452 0.434 3.610 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.238 2.580 2.226 1.00 0.00 C ATOM 0 H ILE A 466 -10.207 -1.887 1.405 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.340 -1.100 1.327 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.510 -0.031 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.827 1.436 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.496 0.955 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.683 1.374 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.373 -0.363 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.506 0.530 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.346 3.335 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.198 2.428 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.503 2.916 2.958 1.00 0.00 H new ATOM 675 N SER A 467 -6.825 -2.805 3.083 1.00 0.00 N ATOM 676 CA SER A 467 -6.421 -3.914 3.957 1.00 0.00 C ATOM 677 C SER A 467 -5.232 -3.502 4.832 1.00 0.00 C ATOM 678 O SER A 467 -4.082 -3.503 4.389 1.00 0.00 O ATOM 679 CB SER A 467 -6.068 -5.147 3.117 1.00 0.00 C ATOM 680 OG SER A 467 -7.229 -5.735 2.548 1.00 0.00 O ATOM 0 H SER A 467 -6.028 -2.351 2.637 1.00 0.00 H new ATOM 0 HA SER A 467 -7.256 -4.165 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.376 -4.863 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.555 -5.880 3.740 1.00 0.00 H new ATOM 0 HG SER A 467 -6.973 -6.518 2.017 1.00 0.00 H new ATOM 686 N TRP A 468 -5.514 -3.096 6.070 1.00 0.00 N ATOM 687 CA TRP A 468 -4.519 -2.639 7.047 1.00 0.00 C ATOM 688 C TRP A 468 -3.458 -3.693 7.396 1.00 0.00 C ATOM 689 O TRP A 468 -3.729 -4.898 7.383 1.00 0.00 O ATOM 690 CB TRP A 468 -5.237 -2.223 8.333 1.00 0.00 C ATOM 691 CG TRP A 468 -6.271 -1.152 8.179 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.599 -1.351 8.028 1.00 0.00 C ATOM 693 CD2 TRP A 468 -6.089 0.293 8.213 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.233 -0.134 7.854 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.345 0.916 7.946 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.993 1.138 8.482 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.483 2.308 7.858 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -5.133 2.538 8.422 1.00 0.00 C ATOM 699 CH2 TRP A 468 -6.365 3.125 8.085 1.00 0.00 C ATOM 0 H TRP A 468 -6.467 -3.074 6.433 1.00 0.00 H new ATOM 0 HA TRP A 468 -3.994 -1.803 6.585 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -5.714 -3.104 8.763 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.491 -1.882 9.051 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.090 -2.313 8.041 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.232 -0.027 7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -4.036 0.707 8.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.440 2.747 7.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -4.283 3.169 8.638 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.451 4.198 8.001 1.00 0.00 H new ATOM 710 N ILE A 469 -2.273 -3.221 7.801 1.00 0.00 N ATOM 711 CA ILE A 469 -1.201 -4.037 8.388 1.00 0.00 C ATOM 712 C ILE A 469 -0.594 -3.407 9.656 1.00 0.00 C ATOM 713 O ILE A 469 -0.108 -4.140 10.518 1.00 0.00 O ATOM 714 CB ILE A 469 -0.109 -4.363 7.346 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.460 -3.119 6.631 1.00 0.00 C ATOM 716 CG2 ILE A 469 -0.638 -5.387 6.330 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.692 -3.414 5.772 1.00 0.00 C ATOM 0 H ILE A 469 -2.026 -2.234 7.728 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.663 -4.973 8.700 1.00 0.00 H new ATOM 0 HB ILE A 469 0.728 -4.793 7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.317 -2.686 6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.720 -2.368 7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 469 0.140 -5.610 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -0.921 -6.302 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.509 -4.976 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 469 2.036 -2.493 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.485 -3.818 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.433 -4.141 5.002 1.00 0.00 H new ATOM 729 N ASP A 470 -0.681 -2.082 9.821 1.00 0.00 N ATOM 730 CA ASP A 470 -0.275 -1.337 11.023 1.00 0.00 C ATOM 731 C ASP A 470 -1.124 -0.061 11.230 1.00 0.00 C ATOM 732 O ASP A 470 -1.889 0.357 10.359 1.00 0.00 O ATOM 733 CB ASP A 470 1.211 -0.939 10.907 1.00 0.00 C ATOM 734 CG ASP A 470 2.176 -2.113 11.114 1.00 0.00 C ATOM 735 OD1 ASP A 470 2.257 -2.640 12.250 1.00 0.00 O ATOM 736 OD2 ASP A 470 2.927 -2.440 10.164 1.00 0.00 O ATOM 0 H ASP A 470 -1.051 -1.473 9.092 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.432 -1.990 11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.387 -0.504 9.923 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.430 -0.165 11.642 1.00 0.00 H new ATOM 741 N ASP A 471 -0.926 0.608 12.370 1.00 0.00 N ATOM 742 CA ASP A 471 -1.461 1.944 12.683 1.00 0.00 C ATOM 743 C ASP A 471 -1.016 3.041 11.685 1.00 0.00 C ATOM 744 O ASP A 471 -1.677 4.074 11.567 1.00 0.00 O ATOM 745 CB ASP A 471 -1.003 2.289 14.111 1.00 0.00 C ATOM 746 CG ASP A 471 -1.416 3.694 14.579 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.624 3.913 14.833 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.522 4.552 14.759 1.00 0.00 O ATOM 0 H ASP A 471 -0.368 0.222 13.132 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.548 1.915 12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.414 1.552 14.801 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.082 2.204 14.164 1.00 0.00 H new ATOM 753 N THR A 472 0.076 2.809 10.945 1.00 0.00 N ATOM 754 CA THR A 472 0.753 3.784 10.064 1.00 0.00 C ATOM 755 C THR A 472 0.954 3.296 8.623 1.00 0.00 C ATOM 756 O THR A 472 1.504 4.035 7.801 1.00 0.00 O ATOM 757 CB THR A 472 2.122 4.177 10.648 1.00 0.00 C ATOM 758 OG1 THR A 472 2.899 3.017 10.895 1.00 0.00 O ATOM 759 CG2 THR A 472 1.989 4.947 11.963 1.00 0.00 C ATOM 0 H THR A 472 0.536 1.899 10.940 1.00 0.00 H new ATOM 0 HA THR A 472 0.084 4.643 10.021 1.00 0.00 H new ATOM 0 HB THR A 472 2.604 4.819 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.768 3.278 11.265 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.980 5.203 12.337 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.418 5.860 11.794 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.473 4.328 12.697 1.00 0.00 H new ATOM 767 N SER A 473 0.503 2.082 8.279 1.00 0.00 N ATOM 768 CA SER A 473 0.540 1.579 6.896 1.00 0.00 C ATOM 769 C SER A 473 -0.518 0.513 6.580 1.00 0.00 C ATOM 770 O SER A 473 -0.950 -0.254 7.446 1.00 0.00 O ATOM 771 CB SER A 473 1.945 1.077 6.520 1.00 0.00 C ATOM 772 OG SER A 473 2.472 0.123 7.433 1.00 0.00 O ATOM 0 H SER A 473 0.104 1.423 8.947 1.00 0.00 H new ATOM 0 HA SER A 473 0.288 2.440 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.909 0.634 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.623 1.928 6.465 1.00 0.00 H new ATOM 0 HG SER A 473 3.363 -0.156 7.136 1.00 0.00 H new ATOM 778 N ALA A 474 -0.929 0.461 5.310 1.00 0.00 N ATOM 779 CA ALA A 474 -1.977 -0.419 4.788 1.00 0.00 C ATOM 780 C ALA A 474 -1.772 -0.736 3.295 1.00 0.00 C ATOM 781 O ALA A 474 -1.096 0.005 2.577 1.00 0.00 O ATOM 782 CB ALA A 474 -3.331 0.281 4.988 1.00 0.00 C ATOM 0 H ALA A 474 -0.523 1.056 4.588 1.00 0.00 H new ATOM 0 HA ALA A 474 -1.941 -1.366 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.129 -0.355 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.491 0.467 6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.334 1.229 4.449 1.00 0.00 H new ATOM 788 N PHE A 475 -2.400 -1.811 2.811 1.00 0.00 N ATOM 789 CA PHE A 475 -2.516 -2.102 1.381 1.00 0.00 C ATOM 790 C PHE A 475 -3.783 -1.445 0.802 1.00 0.00 C ATOM 791 O PHE A 475 -4.797 -1.333 1.500 1.00 0.00 O ATOM 792 CB PHE A 475 -2.584 -3.616 1.139 1.00 0.00 C ATOM 793 CG PHE A 475 -1.360 -4.410 1.554 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.126 -4.196 0.908 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.463 -5.398 2.551 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.001 -4.954 1.269 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.342 -6.177 2.891 1.00 0.00 C ATOM 798 CZ PHE A 475 0.890 -5.951 2.255 1.00 0.00 C ATOM 0 H PHE A 475 -2.846 -2.509 3.406 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.634 -1.698 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.448 -4.011 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.761 -3.787 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.046 -3.448 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.404 -5.558 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.951 -4.771 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.429 -6.949 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.752 -6.543 2.523 1.00 0.00 H new ATOM 808 N VAL A 476 -3.757 -1.066 -0.481 1.00 0.00 N ATOM 809 CA VAL A 476 -4.897 -0.457 -1.199 1.00 0.00 C ATOM 810 C VAL A 476 -5.017 -1.031 -2.614 1.00 0.00 C ATOM 811 O VAL A 476 -4.099 -0.912 -3.427 1.00 0.00 O ATOM 812 CB VAL A 476 -4.799 1.086 -1.247 1.00 0.00 C ATOM 813 CG1 VAL A 476 -6.028 1.693 -1.939 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.715 1.699 0.159 1.00 0.00 C ATOM 0 H VAL A 476 -2.929 -1.174 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.798 -0.708 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.890 1.314 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.935 2.779 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.095 1.315 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.928 1.417 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.648 2.784 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.606 1.431 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.831 1.317 0.670 1.00 0.00 H new ATOM 824 N SER A 477 -6.149 -1.667 -2.909 1.00 0.00 N ATOM 825 CA SER A 477 -6.490 -2.223 -4.227 1.00 0.00 C ATOM 826 C SER A 477 -7.020 -1.145 -5.183 1.00 0.00 C ATOM 827 O SER A 477 -7.768 -0.259 -4.759 1.00 0.00 O ATOM 828 CB SER A 477 -7.576 -3.287 -4.043 1.00 0.00 C ATOM 829 OG SER A 477 -7.772 -4.016 -5.240 1.00 0.00 O ATOM 0 H SER A 477 -6.883 -1.817 -2.217 1.00 0.00 H new ATOM 0 HA SER A 477 -5.584 -2.647 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 477 -7.293 -3.967 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 477 -8.510 -2.812 -3.744 1.00 0.00 H new ATOM 0 HG SER A 477 -8.468 -4.692 -5.101 1.00 0.00 H new ATOM 835 N LEU A 478 -6.695 -1.261 -6.476 1.00 0.00 N ATOM 836 CA LEU A 478 -7.192 -0.409 -7.566 1.00 0.00 C ATOM 837 C LEU A 478 -7.732 -1.265 -8.730 1.00 0.00 C ATOM 838 O LEU A 478 -7.351 -2.426 -8.903 1.00 0.00 O ATOM 839 CB LEU A 478 -6.073 0.537 -8.050 1.00 0.00 C ATOM 840 CG LEU A 478 -5.571 1.567 -7.018 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.475 2.423 -7.648 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.666 2.525 -6.548 1.00 0.00 C ATOM 0 H LEU A 478 -6.052 -1.981 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 478 -8.017 0.194 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.226 -0.068 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.432 1.075 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 478 -5.213 0.994 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.119 3.152 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.647 1.785 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.875 2.945 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -6.250 3.225 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -7.058 3.077 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.472 1.957 -6.083 1.00 0.00 H new ATOM 854 N SER A 479 -8.638 -0.698 -9.530 1.00 0.00 N ATOM 855 CA SER A 479 -9.413 -1.428 -10.550 1.00 0.00 C ATOM 856 C SER A 479 -8.595 -1.935 -11.751 1.00 0.00 C ATOM 857 O SER A 479 -8.985 -2.931 -12.366 1.00 0.00 O ATOM 858 CB SER A 479 -10.574 -0.560 -11.049 1.00 0.00 C ATOM 859 OG SER A 479 -11.431 -0.213 -9.971 1.00 0.00 O ATOM 0 H SER A 479 -8.861 0.297 -9.491 1.00 0.00 H new ATOM 0 HA SER A 479 -9.779 -2.322 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 479 -10.185 0.344 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.137 -1.098 -11.811 1.00 0.00 H new ATOM 0 HG SER A 479 -12.167 0.342 -10.304 1.00 0.00 H new ATOM 865 N GLN A 480 -7.447 -1.317 -12.063 1.00 0.00 N ATOM 866 CA GLN A 480 -6.487 -1.790 -13.075 1.00 0.00 C ATOM 867 C GLN A 480 -5.028 -1.646 -12.584 1.00 0.00 C ATOM 868 O GLN A 480 -4.726 -0.703 -11.845 1.00 0.00 O ATOM 869 CB GLN A 480 -6.638 -1.007 -14.398 1.00 0.00 C ATOM 870 CG GLN A 480 -7.986 -1.148 -15.131 1.00 0.00 C ATOM 871 CD GLN A 480 -9.028 -0.111 -14.714 1.00 0.00 C ATOM 872 OE1 GLN A 480 -10.061 -0.415 -14.134 1.00 0.00 O ATOM 873 NE2 GLN A 480 -8.819 1.155 -15.012 1.00 0.00 N ATOM 0 H GLN A 480 -7.152 -0.453 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 480 -6.709 -2.844 -13.244 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.472 0.050 -14.190 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.846 -1.326 -15.076 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -7.815 -1.066 -16.204 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.386 -2.145 -14.947 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -7.964 1.431 -15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -9.512 1.860 -14.759 1.00 0.00 H new ATOM 882 N PRO A 481 -4.085 -2.496 -13.046 1.00 0.00 N ATOM 883 CA PRO A 481 -2.658 -2.368 -12.724 1.00 0.00 C ATOM 884 C PRO A 481 -1.990 -1.126 -13.347 1.00 0.00 C ATOM 885 O PRO A 481 -0.953 -0.672 -12.867 1.00 0.00 O ATOM 886 CB PRO A 481 -2.015 -3.670 -13.212 1.00 0.00 C ATOM 887 CG PRO A 481 -2.922 -4.112 -14.357 1.00 0.00 C ATOM 888 CD PRO A 481 -4.306 -3.664 -13.891 1.00 0.00 C ATOM 0 HA PRO A 481 -2.523 -2.218 -11.653 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -0.992 -3.509 -13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -1.975 -4.418 -12.421 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -2.641 -3.641 -15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -2.878 -5.190 -14.514 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -4.943 -3.417 -14.740 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -4.807 -4.458 -13.337 1.00 0.00 H new ATOM 896 N GLU A 482 -2.589 -0.517 -14.375 1.00 0.00 N ATOM 897 CA GLU A 482 -2.153 0.787 -14.901 1.00 0.00 C ATOM 898 C GLU A 482 -2.325 1.915 -13.863 1.00 0.00 C ATOM 899 O GLU A 482 -1.457 2.778 -13.722 1.00 0.00 O ATOM 900 CB GLU A 482 -2.933 1.085 -16.193 1.00 0.00 C ATOM 901 CG GLU A 482 -2.428 2.341 -16.914 1.00 0.00 C ATOM 902 CD GLU A 482 -3.128 2.512 -18.277 1.00 0.00 C ATOM 903 OE1 GLU A 482 -4.243 3.087 -18.327 1.00 0.00 O ATOM 904 OE2 GLU A 482 -2.567 2.077 -19.313 1.00 0.00 O ATOM 0 H GLU A 482 -3.390 -0.911 -14.868 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.087 0.741 -15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -2.856 0.230 -16.865 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.989 1.208 -15.954 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -2.610 3.219 -16.294 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -1.350 2.273 -17.060 1.00 0.00 H new ATOM 911 N GLN A 483 -3.408 1.880 -13.077 1.00 0.00 N ATOM 912 CA GLN A 483 -3.678 2.860 -12.016 1.00 0.00 C ATOM 913 C GLN A 483 -2.667 2.755 -10.860 1.00 0.00 C ATOM 914 O GLN A 483 -2.283 3.771 -10.280 1.00 0.00 O ATOM 915 CB GLN A 483 -5.109 2.679 -11.488 1.00 0.00 C ATOM 916 CG GLN A 483 -6.182 2.861 -12.573 1.00 0.00 C ATOM 917 CD GLN A 483 -7.593 2.691 -12.013 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.885 1.787 -11.241 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.518 3.558 -12.367 1.00 0.00 N ATOM 0 H GLN A 483 -4.129 1.164 -13.160 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.572 3.854 -12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.206 1.684 -11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.287 3.396 -10.686 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.085 3.852 -13.017 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.018 2.136 -13.371 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.287 4.316 -13.010 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.465 3.472 -11.999 1.00 0.00 H new ATOM 928 N VAL A 484 -2.180 1.541 -10.571 1.00 0.00 N ATOM 929 CA VAL A 484 -1.093 1.277 -9.608 1.00 0.00 C ATOM 930 C VAL A 484 0.183 2.025 -10.019 1.00 0.00 C ATOM 931 O VAL A 484 0.776 2.732 -9.203 1.00 0.00 O ATOM 932 CB VAL A 484 -0.839 -0.244 -9.491 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.259 -0.641 -8.501 1.00 0.00 C ATOM 934 CG2 VAL A 484 -2.104 -0.993 -9.055 1.00 0.00 C ATOM 0 H VAL A 484 -2.537 0.692 -11.009 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.394 1.646 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.520 -0.521 -10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.363 -1.726 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.203 -0.189 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -0.007 -0.291 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.889 -2.059 -8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -2.430 -0.622 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.894 -0.831 -9.788 1.00 0.00 H new ATOM 944 N GLN A 485 0.577 1.947 -11.295 1.00 0.00 N ATOM 945 CA GLN A 485 1.734 2.682 -11.826 1.00 0.00 C ATOM 946 C GLN A 485 1.547 4.208 -11.733 1.00 0.00 C ATOM 947 O GLN A 485 2.468 4.917 -11.320 1.00 0.00 O ATOM 948 CB GLN A 485 2.002 2.223 -13.270 1.00 0.00 C ATOM 949 CG GLN A 485 3.323 2.780 -13.831 1.00 0.00 C ATOM 950 CD GLN A 485 3.610 2.317 -15.263 1.00 0.00 C ATOM 951 OE1 GLN A 485 3.276 1.216 -15.686 1.00 0.00 O ATOM 952 NE2 GLN A 485 4.243 3.140 -16.074 1.00 0.00 N ATOM 0 H GLN A 485 0.103 1.372 -11.991 1.00 0.00 H new ATOM 0 HA GLN A 485 2.606 2.454 -11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 485 2.028 1.134 -13.303 1.00 0.00 H new ATOM 0 HB3 GLN A 485 1.177 2.541 -13.908 1.00 0.00 H new ATOM 0 HG2 GLN A 485 3.290 3.869 -13.807 1.00 0.00 H new ATOM 0 HG3 GLN A 485 4.144 2.472 -13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 485 4.530 4.061 -15.743 1.00 0.00 H new ATOM 0 HE22 GLN A 485 4.446 2.856 -17.032 1.00 0.00 H new ATOM 961 N ILE A 486 0.355 4.722 -12.065 1.00 0.00 N ATOM 962 CA ILE A 486 0.027 6.158 -11.974 1.00 0.00 C ATOM 963 C ILE A 486 0.101 6.659 -10.521 1.00 0.00 C ATOM 964 O ILE A 486 0.691 7.710 -10.269 1.00 0.00 O ATOM 965 CB ILE A 486 -1.349 6.445 -12.625 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.293 6.163 -14.147 1.00 0.00 C ATOM 967 CG2 ILE A 486 -1.788 7.905 -12.392 1.00 0.00 C ATOM 968 CD1 ILE A 486 -2.671 6.078 -14.819 1.00 0.00 C ATOM 0 H ILE A 486 -0.418 4.151 -12.408 1.00 0.00 H new ATOM 0 HA ILE A 486 0.776 6.718 -12.534 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.078 5.785 -12.156 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -0.713 6.949 -14.630 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -0.761 5.226 -14.313 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -2.757 8.073 -12.862 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.866 8.095 -11.322 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.052 8.580 -12.828 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -2.545 5.878 -15.883 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.248 5.273 -14.365 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.199 7.022 -14.687 1.00 0.00 H new ATOM 980 N ALA A 487 -0.431 5.912 -9.551 1.00 0.00 N ATOM 981 CA ALA A 487 -0.363 6.265 -8.129 1.00 0.00 C ATOM 982 C ALA A 487 1.079 6.306 -7.585 1.00 0.00 C ATOM 983 O ALA A 487 1.425 7.199 -6.809 1.00 0.00 O ATOM 984 CB ALA A 487 -1.206 5.253 -7.352 1.00 0.00 C ATOM 0 H ALA A 487 -0.925 5.038 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.753 7.275 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.173 5.492 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.238 5.294 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.809 4.250 -7.511 1.00 0.00 H new ATOM 990 N VAL A 488 1.949 5.381 -8.014 1.00 0.00 N ATOM 991 CA VAL A 488 3.385 5.415 -7.678 1.00 0.00 C ATOM 992 C VAL A 488 4.083 6.619 -8.327 1.00 0.00 C ATOM 993 O VAL A 488 4.843 7.313 -7.652 1.00 0.00 O ATOM 994 CB VAL A 488 4.072 4.083 -8.047 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.594 4.121 -7.860 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.542 2.958 -7.147 1.00 0.00 C ATOM 0 H VAL A 488 1.682 4.591 -8.601 1.00 0.00 H new ATOM 0 HA VAL A 488 3.475 5.539 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 488 3.848 3.911 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 488 6.019 3.156 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 488 6.019 4.899 -8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.827 4.335 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.030 2.020 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.754 3.196 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.465 2.858 -7.285 1.00 0.00 H new ATOM 1006 N ASN A 489 3.789 6.935 -9.595 1.00 0.00 N ATOM 1007 CA ASN A 489 4.337 8.115 -10.279 1.00 0.00 C ATOM 1008 C ASN A 489 3.945 9.437 -9.589 1.00 0.00 C ATOM 1009 O ASN A 489 4.776 10.321 -9.390 1.00 0.00 O ATOM 1010 CB ASN A 489 3.857 8.110 -11.740 1.00 0.00 C ATOM 1011 CG ASN A 489 4.510 9.213 -12.562 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.721 9.386 -12.570 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.735 10.001 -13.275 1.00 0.00 N ATOM 0 H ASN A 489 3.163 6.379 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 489 5.425 8.056 -10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 489 4.079 7.143 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.774 8.232 -11.766 1.00 0.00 H new ATOM 0 HD21 ASN A 489 4.144 10.752 -13.831 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.725 9.861 -13.272 1.00 0.00 H new ATOM 1020 N THR A 490 2.675 9.568 -9.203 1.00 0.00 N ATOM 1021 CA THR A 490 2.122 10.778 -8.569 1.00 0.00 C ATOM 1022 C THR A 490 2.544 10.953 -7.104 1.00 0.00 C ATOM 1023 O THR A 490 2.586 12.082 -6.610 1.00 0.00 O ATOM 1024 CB THR A 490 0.590 10.822 -8.706 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.020 9.624 -8.295 1.00 0.00 O ATOM 1026 CG2 THR A 490 0.181 11.066 -10.161 1.00 0.00 C ATOM 0 H THR A 490 1.985 8.826 -9.322 1.00 0.00 H new ATOM 0 HA THR A 490 2.551 11.621 -9.110 1.00 0.00 H new ATOM 0 HB THR A 490 0.257 11.637 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.063 8.954 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 490 -0.906 11.093 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.591 12.017 -10.500 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.566 10.261 -10.787 1.00 0.00 H new ATOM 1034 N SER A 491 2.951 9.877 -6.416 1.00 0.00 N ATOM 1035 CA SER A 491 3.478 9.931 -5.039 1.00 0.00 C ATOM 1036 C SER A 491 4.808 10.688 -4.884 1.00 0.00 C ATOM 1037 O SER A 491 5.154 11.099 -3.773 1.00 0.00 O ATOM 1038 CB SER A 491 3.602 8.525 -4.449 1.00 0.00 C ATOM 1039 OG SER A 491 4.770 7.849 -4.884 1.00 0.00 O ATOM 0 H SER A 491 2.925 8.933 -6.801 1.00 0.00 H new ATOM 0 HA SER A 491 2.743 10.510 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 491 3.610 8.592 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 491 2.725 7.941 -4.726 1.00 0.00 H new ATOM 0 HG SER A 491 4.727 7.713 -5.854 1.00 0.00 H new ATOM 1045 N LYS A 492 5.523 10.953 -5.991 1.00 0.00 N ATOM 1046 CA LYS A 492 6.733 11.803 -6.054 1.00 0.00 C ATOM 1047 C LYS A 492 6.525 13.235 -5.524 1.00 0.00 C ATOM 1048 O LYS A 492 7.503 13.929 -5.236 1.00 0.00 O ATOM 1049 CB LYS A 492 7.248 11.851 -7.503 1.00 0.00 C ATOM 1050 CG LYS A 492 7.823 10.503 -7.974 1.00 0.00 C ATOM 1051 CD LYS A 492 8.183 10.504 -9.467 1.00 0.00 C ATOM 1052 CE LYS A 492 9.268 11.528 -9.821 1.00 0.00 C ATOM 1053 NZ LYS A 492 9.574 11.509 -11.273 1.00 0.00 N ATOM 0 H LYS A 492 5.268 10.569 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 492 7.468 11.344 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.433 12.145 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 492 8.018 12.618 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.713 10.268 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 492 7.096 9.714 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 492 8.523 9.509 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 492 7.287 10.715 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 492 8.939 12.525 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 492 10.173 11.313 -9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 10.311 12.212 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 9.911 10.563 -11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.715 11.738 -11.812 1.00 0.00 H new ATOM 1067 N TYR A 493 5.268 13.661 -5.365 1.00 0.00 N ATOM 1068 CA TYR A 493 4.851 15.018 -4.983 1.00 0.00 C ATOM 1069 C TYR A 493 3.898 15.019 -3.763 1.00 0.00 C ATOM 1070 O TYR A 493 3.208 16.008 -3.504 1.00 0.00 O ATOM 1071 CB TYR A 493 4.229 15.694 -6.222 1.00 0.00 C ATOM 1072 CG TYR A 493 5.022 15.488 -7.506 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.247 16.158 -7.697 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.573 14.562 -8.471 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.028 15.895 -8.840 1.00 0.00 C ATOM 1076 CE2 TYR A 493 5.351 14.296 -9.615 1.00 0.00 C ATOM 1077 CZ TYR A 493 6.587 14.955 -9.799 1.00 0.00 C ATOM 1078 OH TYR A 493 7.349 14.671 -10.891 1.00 0.00 O ATOM 0 H TYR A 493 4.472 13.039 -5.506 1.00 0.00 H new ATOM 0 HA TYR A 493 5.720 15.590 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.220 15.308 -6.365 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.137 16.763 -6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 493 6.588 16.875 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 493 3.629 14.055 -8.332 1.00 0.00 H new ATOM 0 HE1 TYR A 493 7.965 16.412 -8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 493 5.002 13.588 -10.352 1.00 0.00 H new ATOM 0 HH TYR A 493 6.893 14.002 -11.443 1.00 0.00 H new ATOM 1088 N ALA A 494 3.835 13.903 -3.023 1.00 0.00 N ATOM 1089 CA ALA A 494 2.917 13.675 -1.900 1.00 0.00 C ATOM 1090 C ALA A 494 3.141 14.583 -0.673 1.00 0.00 C ATOM 1091 O ALA A 494 2.184 14.991 -0.017 1.00 0.00 O ATOM 1092 CB ALA A 494 3.058 12.205 -1.495 1.00 0.00 C ATOM 0 H ALA A 494 4.445 13.105 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 494 1.913 13.926 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.390 11.992 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.797 11.568 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.087 12.007 -1.196 1.00 0.00 H new ATOM 1098 N GLU A 495 4.407 14.884 -0.375 1.00 0.00 N ATOM 1099 CA GLU A 495 4.955 15.652 0.769 1.00 0.00 C ATOM 1100 C GLU A 495 4.551 15.241 2.212 1.00 0.00 C ATOM 1101 O GLU A 495 5.279 15.580 3.150 1.00 0.00 O ATOM 1102 CB GLU A 495 4.724 17.162 0.556 1.00 0.00 C ATOM 1103 CG GLU A 495 5.409 17.704 -0.706 1.00 0.00 C ATOM 1104 CD GLU A 495 5.278 19.237 -0.790 1.00 0.00 C ATOM 1105 OE1 GLU A 495 4.249 19.742 -1.306 1.00 0.00 O ATOM 1106 OE2 GLU A 495 6.207 19.956 -0.343 1.00 0.00 O ATOM 0 H GLU A 495 5.160 14.567 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 495 6.012 15.385 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 495 3.653 17.354 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 495 5.094 17.706 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 495 6.463 17.425 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 495 4.963 17.248 -1.590 1.00 0.00 H new ATOM 1113 N SER A 496 3.466 14.484 2.417 1.00 0.00 N ATOM 1114 CA SER A 496 2.895 14.149 3.744 1.00 0.00 C ATOM 1115 C SER A 496 2.497 12.669 3.910 1.00 0.00 C ATOM 1116 O SER A 496 1.994 12.273 4.963 1.00 0.00 O ATOM 1117 CB SER A 496 1.670 15.037 4.023 1.00 0.00 C ATOM 1118 OG SER A 496 2.010 16.418 3.996 1.00 0.00 O ATOM 0 H SER A 496 2.940 14.072 1.647 1.00 0.00 H new ATOM 0 HA SER A 496 3.691 14.336 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.898 14.837 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.250 14.784 4.996 1.00 0.00 H new ATOM 0 HG SER A 496 1.210 16.955 4.175 1.00 0.00 H new ATOM 1124 N TYR A 497 2.723 11.844 2.884 1.00 0.00 N ATOM 1125 CA TYR A 497 2.469 10.395 2.835 1.00 0.00 C ATOM 1126 C TYR A 497 3.390 9.744 1.780 1.00 0.00 C ATOM 1127 O TYR A 497 4.128 10.448 1.080 1.00 0.00 O ATOM 1128 CB TYR A 497 0.978 10.134 2.534 1.00 0.00 C ATOM 1129 CG TYR A 497 0.485 10.694 1.209 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.039 12.029 1.133 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.500 9.892 0.050 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.359 12.576 -0.102 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.115 10.440 -1.189 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.308 11.786 -1.271 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.644 12.318 -2.478 1.00 0.00 O ATOM 0 H TYR A 497 3.113 12.189 2.007 1.00 0.00 H new ATOM 0 HA TYR A 497 2.695 9.944 3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.803 9.058 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 497 0.380 10.562 3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 497 0.002 12.635 2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 497 0.806 8.858 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.703 13.598 -0.155 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.143 9.830 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 497 -0.551 11.634 -3.174 1.00 0.00 H new ATOM 1145 N ARG A 498 3.361 8.411 1.644 1.00 0.00 N ATOM 1146 CA ARG A 498 4.156 7.658 0.652 1.00 0.00 C ATOM 1147 C ARG A 498 3.391 6.444 0.114 1.00 0.00 C ATOM 1148 O ARG A 498 2.571 5.863 0.823 1.00 0.00 O ATOM 1149 CB ARG A 498 5.499 7.268 1.301 1.00 0.00 C ATOM 1150 CG ARG A 498 6.513 6.668 0.307 1.00 0.00 C ATOM 1151 CD ARG A 498 7.908 6.511 0.926 1.00 0.00 C ATOM 1152 NE ARG A 498 8.561 7.816 1.161 1.00 0.00 N ATOM 1153 CZ ARG A 498 9.747 8.019 1.707 1.00 0.00 C ATOM 1154 NH1 ARG A 498 10.501 7.038 2.118 1.00 0.00 N ATOM 1155 NH2 ARG A 498 10.206 9.230 1.851 1.00 0.00 N ATOM 0 H ARG A 498 2.777 7.812 2.227 1.00 0.00 H new ATOM 0 HA ARG A 498 4.351 8.286 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.938 8.150 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.313 6.547 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.156 5.695 -0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.578 7.307 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 498 7.827 5.971 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.531 5.908 0.266 1.00 0.00 H new ATOM 0 HE ARG A 498 8.043 8.645 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 498 10.181 6.074 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 498 11.411 7.234 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 498 9.649 10.027 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 498 11.122 9.381 2.273 1.00 0.00 H new ATOM 1169 N ILE A 499 3.675 6.064 -1.134 1.00 0.00 N ATOM 1170 CA ILE A 499 3.039 4.958 -1.870 1.00 0.00 C ATOM 1171 C ILE A 499 4.120 4.134 -2.595 1.00 0.00 C ATOM 1172 O ILE A 499 5.093 4.688 -3.112 1.00 0.00 O ATOM 1173 CB ILE A 499 2.000 5.509 -2.884 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.893 6.349 -2.202 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.358 4.374 -3.700 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.008 7.115 -3.178 1.00 0.00 C ATOM 0 H ILE A 499 4.387 6.538 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 499 2.514 4.313 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 499 2.553 6.165 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.273 5.688 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.360 7.061 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.636 4.793 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.132 3.840 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.851 3.683 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.756 7.677 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.597 7.804 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.507 6.410 -3.843 1.00 0.00 H new ATOM 1188 N GLN A 500 3.929 2.817 -2.670 1.00 0.00 N ATOM 1189 CA GLN A 500 4.704 1.874 -3.488 1.00 0.00 C ATOM 1190 C GLN A 500 3.807 0.714 -3.965 1.00 0.00 C ATOM 1191 O GLN A 500 2.684 0.563 -3.484 1.00 0.00 O ATOM 1192 CB GLN A 500 5.937 1.387 -2.700 1.00 0.00 C ATOM 1193 CG GLN A 500 5.606 0.554 -1.449 1.00 0.00 C ATOM 1194 CD GLN A 500 6.834 0.230 -0.602 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.965 0.161 -1.070 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.669 0.025 0.686 1.00 0.00 N ATOM 0 H GLN A 500 3.194 2.352 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 500 5.070 2.377 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.564 0.791 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.526 2.254 -2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.884 1.097 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.128 -0.376 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.736 0.078 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.474 -0.187 1.276 1.00 0.00 H new ATOM 1205 N THR A 501 4.264 -0.120 -4.903 1.00 0.00 N ATOM 1206 CA THR A 501 3.525 -1.340 -5.297 1.00 0.00 C ATOM 1207 C THR A 501 3.579 -2.415 -4.202 1.00 0.00 C ATOM 1208 O THR A 501 4.446 -2.387 -3.320 1.00 0.00 O ATOM 1209 CB THR A 501 4.041 -1.946 -6.616 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.278 -2.584 -6.415 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.210 -0.921 -7.737 1.00 0.00 C ATOM 0 H THR A 501 5.139 0.020 -5.407 1.00 0.00 H new ATOM 0 HA THR A 501 2.493 -1.021 -5.443 1.00 0.00 H new ATOM 0 HB THR A 501 3.276 -2.658 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.962 -2.152 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.576 -1.420 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.249 -0.452 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.925 -0.159 -7.428 1.00 0.00 H new ATOM 1219 N TYR A 502 2.694 -3.415 -4.274 1.00 0.00 N ATOM 1220 CA TYR A 502 2.782 -4.618 -3.437 1.00 0.00 C ATOM 1221 C TYR A 502 4.146 -5.328 -3.573 1.00 0.00 C ATOM 1222 O TYR A 502 4.744 -5.722 -2.570 1.00 0.00 O ATOM 1223 CB TYR A 502 1.635 -5.564 -3.815 1.00 0.00 C ATOM 1224 CG TYR A 502 1.684 -6.904 -3.109 1.00 0.00 C ATOM 1225 CD1 TYR A 502 1.230 -7.016 -1.781 1.00 0.00 C ATOM 1226 CD2 TYR A 502 2.193 -8.037 -3.777 1.00 0.00 C ATOM 1227 CE1 TYR A 502 1.279 -8.260 -1.123 1.00 0.00 C ATOM 1228 CE2 TYR A 502 2.228 -9.285 -3.128 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.767 -9.399 -1.797 1.00 0.00 C ATOM 1230 OH TYR A 502 1.788 -10.599 -1.165 1.00 0.00 O ATOM 0 H TYR A 502 1.898 -3.414 -4.912 1.00 0.00 H new ATOM 0 HA TYR A 502 2.694 -4.321 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.686 -5.078 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.655 -5.731 -4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 502 0.844 -6.148 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 502 2.557 -7.946 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 502 0.942 -8.342 -0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 502 2.606 -10.154 -3.646 1.00 0.00 H new ATOM 0 HH TYR A 502 2.152 -11.280 -1.768 1.00 0.00 H new ATOM 1240 N ALA A 503 4.676 -5.441 -4.796 1.00 0.00 N ATOM 1241 CA ALA A 503 5.981 -6.051 -5.062 1.00 0.00 C ATOM 1242 C ALA A 503 7.153 -5.250 -4.454 1.00 0.00 C ATOM 1243 O ALA A 503 8.073 -5.834 -3.877 1.00 0.00 O ATOM 1244 CB ALA A 503 6.141 -6.209 -6.578 1.00 0.00 C ATOM 0 H ALA A 503 4.205 -5.108 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 503 6.013 -7.026 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.108 -6.662 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.346 -6.847 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.083 -5.230 -7.054 1.00 0.00 H new ATOM 1250 N GLU A 504 7.108 -3.915 -4.522 1.00 0.00 N ATOM 1251 CA GLU A 504 8.106 -3.037 -3.898 1.00 0.00 C ATOM 1252 C GLU A 504 8.061 -3.087 -2.360 1.00 0.00 C ATOM 1253 O GLU A 504 9.115 -2.975 -1.730 1.00 0.00 O ATOM 1254 CB GLU A 504 7.947 -1.593 -4.408 1.00 0.00 C ATOM 1255 CG GLU A 504 8.842 -1.260 -5.611 1.00 0.00 C ATOM 1256 CD GLU A 504 8.598 -2.148 -6.850 1.00 0.00 C ATOM 1257 OE1 GLU A 504 7.737 -1.797 -7.694 1.00 0.00 O ATOM 1258 OE2 GLU A 504 9.308 -3.171 -7.015 1.00 0.00 O ATOM 0 H GLU A 504 6.373 -3.409 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 504 9.088 -3.409 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.906 -1.428 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.175 -0.903 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 504 8.684 -0.218 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 504 9.885 -1.355 -5.310 1.00 0.00 H new ATOM 1265 N TYR A 505 6.888 -3.302 -1.750 1.00 0.00 N ATOM 1266 CA TYR A 505 6.772 -3.599 -0.316 1.00 0.00 C ATOM 1267 C TYR A 505 7.381 -4.972 0.025 1.00 0.00 C ATOM 1268 O TYR A 505 8.224 -5.067 0.918 1.00 0.00 O ATOM 1269 CB TYR A 505 5.301 -3.529 0.127 1.00 0.00 C ATOM 1270 CG TYR A 505 5.039 -4.171 1.479 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.297 -3.458 2.666 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.608 -5.512 1.546 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.117 -4.079 3.919 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.447 -6.143 2.795 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.694 -5.425 3.985 1.00 0.00 C ATOM 1276 OH TYR A 505 4.532 -6.041 5.189 1.00 0.00 O ATOM 0 H TYR A 505 5.992 -3.275 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 505 7.337 -2.844 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.991 -2.485 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.681 -4.018 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.634 -2.433 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.401 -6.057 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.302 -3.526 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.135 -7.176 2.842 1.00 0.00 H new ATOM 0 HH TYR A 505 4.236 -6.964 5.047 1.00 0.00 H new