USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 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 490 THR OG1 : rot -38:sc= 0.97 USER MOD Set 1.2: A 497 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 439 HIS :FLIP no HD1:sc= -0.784 F(o=-1.3,f=-0.78) USER MOD Single : A 442 HIS : no HD1:sc= -9.55! C(o=-9.5!,f=-10!) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.193 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= -1.23 K(o=-1.2,f=-5.5!) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.11) 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 160:sc= -0.476 USER MOD Single : A 479 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.7!) USER MOD Single : A 485 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.17) USER MOD Single : A 489 ASN : amide:sc= -4.94! C(o=-4.9!,f=-5.9!) USER MOD Single : A 491 SER OG : rot -58:sc= 0.846 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 500 GLN : amide:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.00432 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 207 N HIS A 439 -6.569 8.787 6.541 1.00 0.00 N ATOM 208 CA HIS A 439 -5.629 8.155 5.623 1.00 0.00 C ATOM 209 C HIS A 439 -5.045 6.884 6.232 1.00 0.00 C ATOM 210 O HIS A 439 -4.814 5.897 5.534 1.00 0.00 O ATOM 211 CB HIS A 439 -4.504 9.125 5.263 1.00 0.00 C ATOM 212 CG HIS A 439 -4.106 10.026 6.391 1.00 0.00 C ATOM 213 ND1 HIS A 439 -3.099 9.926 7.290 1.00 0.00 N flip ATOM 214 CD2 HIS A 439 -4.777 11.191 6.697 1.00 0.00 C flip ATOM 215 CE1 HIS A 439 -3.179 11.022 8.114 1.00 0.00 C flip ATOM 216 NE2 HIS A 439 -4.200 11.769 7.735 1.00 0.00 N flip ATOM 0 HA HIS A 439 -6.171 7.886 4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.633 8.555 4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.818 9.734 4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -5.640 11.571 6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -2.515 11.238 8.938 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -4.493 12.644 8.170 1.00 0.00 H new ATOM 225 N VAL A 440 -4.806 6.916 7.540 1.00 0.00 N ATOM 226 CA VAL A 440 -4.249 5.768 8.244 1.00 0.00 C ATOM 227 C VAL A 440 -5.288 4.663 8.401 1.00 0.00 C ATOM 228 O VAL A 440 -6.421 4.914 8.812 1.00 0.00 O ATOM 229 CB VAL A 440 -3.723 6.164 9.636 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.134 4.955 10.348 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.693 7.277 9.519 1.00 0.00 C ATOM 0 H VAL A 440 -4.990 7.725 8.133 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.419 5.400 7.642 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.559 6.534 10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.767 5.254 11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.903 4.191 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.309 4.553 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.332 7.544 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.857 6.936 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.151 8.149 9.053 1.00 0.00 H new ATOM 241 N LEU A 441 -4.894 3.437 8.071 1.00 0.00 N ATOM 242 CA LEU A 441 -5.791 2.291 8.176 1.00 0.00 C ATOM 243 C LEU A 441 -5.291 1.303 9.225 1.00 0.00 C ATOM 244 O LEU A 441 -4.088 1.079 9.358 1.00 0.00 O ATOM 245 CB LEU A 441 -5.919 1.593 6.821 1.00 0.00 C ATOM 246 CG LEU A 441 -6.063 2.509 5.605 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.791 1.740 4.322 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.451 3.134 5.570 1.00 0.00 C ATOM 0 H LEU A 441 -3.960 3.211 7.729 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.771 2.655 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -5.041 0.964 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.784 0.931 6.856 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.327 3.309 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.898 2.408 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.777 1.341 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.502 0.919 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.536 3.783 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.203 2.347 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.609 3.720 6.475 1.00 0.00 H new ATOM 260 N HIS A 442 -6.223 0.713 9.967 1.00 0.00 N ATOM 261 CA HIS A 442 -5.878 -0.254 11.002 1.00 0.00 C ATOM 262 C HIS A 442 -6.206 -1.674 10.551 1.00 0.00 C ATOM 263 O HIS A 442 -7.373 -2.056 10.468 1.00 0.00 O ATOM 264 CB HIS A 442 -6.624 0.066 12.298 1.00 0.00 C ATOM 265 CG HIS A 442 -6.157 -0.738 13.472 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.533 -2.047 13.685 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.338 -0.411 14.500 1.00 0.00 C ATOM 268 CE1 HIS A 442 -5.967 -2.491 14.793 1.00 0.00 C ATOM 269 NE2 HIS A 442 -5.237 -1.518 15.307 1.00 0.00 N ATOM 0 H HIS A 442 -7.223 0.888 9.870 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.805 -0.187 11.183 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.505 1.126 12.524 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.689 -0.111 12.148 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -4.855 0.542 14.656 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -6.082 -3.481 15.208 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -4.687 -1.579 16.164 1.00 0.00 H new ATOM 278 N VAL A 443 -5.167 -2.451 10.259 1.00 0.00 N ATOM 279 CA VAL A 443 -5.345 -3.829 9.816 1.00 0.00 C ATOM 280 C VAL A 443 -4.908 -4.814 10.895 1.00 0.00 C ATOM 281 O VAL A 443 -3.821 -4.690 11.462 1.00 0.00 O ATOM 282 CB VAL A 443 -4.550 -4.111 8.527 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.865 -5.502 7.999 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.849 -3.052 7.476 1.00 0.00 C ATOM 0 H VAL A 443 -4.194 -2.150 10.321 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.408 -3.962 9.615 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.486 -4.070 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.294 -5.683 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.597 -6.245 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.930 -5.576 7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.279 -3.266 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.914 -3.060 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.568 -2.071 7.858 1.00 0.00 H new ATOM 294 N THR A 444 -5.761 -5.794 11.175 1.00 0.00 N ATOM 295 CA THR A 444 -5.464 -6.801 12.186 1.00 0.00 C ATOM 296 C THR A 444 -5.195 -8.158 11.548 1.00 0.00 C ATOM 297 O THR A 444 -6.120 -8.848 11.118 1.00 0.00 O ATOM 298 CB THR A 444 -6.619 -6.941 13.196 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.875 -6.772 12.529 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.490 -5.915 14.312 1.00 0.00 C ATOM 0 H THR A 444 -6.664 -5.912 10.715 1.00 0.00 H new ATOM 0 HA THR A 444 -4.570 -6.466 12.712 1.00 0.00 H new ATOM 0 HB THR A 444 -6.571 -7.938 13.634 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.604 -6.864 13.177 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.317 -6.034 15.013 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.546 -6.064 14.836 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.515 -4.911 13.888 1.00 0.00 H new ATOM 308 N PHE A 445 -3.922 -8.538 11.490 1.00 0.00 N ATOM 309 CA PHE A 445 -3.531 -9.814 10.904 1.00 0.00 C ATOM 310 C PHE A 445 -2.775 -10.669 11.916 1.00 0.00 C ATOM 311 O PHE A 445 -2.189 -10.167 12.876 1.00 0.00 O ATOM 312 CB PHE A 445 -2.665 -9.586 9.664 1.00 0.00 C ATOM 313 CG PHE A 445 -1.604 -8.541 9.858 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.403 -8.859 10.472 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.806 -7.240 9.427 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.575 -7.899 10.653 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.832 -6.276 9.604 1.00 0.00 C ATOM 318 CZ PHE A 445 0.360 -6.606 10.217 1.00 0.00 C ATOM 0 H PHE A 445 -3.144 -7.980 11.842 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.438 -10.344 10.613 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.191 -10.527 9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.305 -9.292 8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.229 -9.869 10.813 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.737 -6.976 8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.506 -8.160 11.135 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.003 -5.266 9.263 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.123 -5.855 10.355 1.00 0.00 H new ATOM 328 N PRO A 446 -2.786 -11.993 11.699 1.00 0.00 N ATOM 329 CA PRO A 446 -2.106 -12.946 12.581 1.00 0.00 C ATOM 330 C PRO A 446 -0.588 -12.844 12.484 1.00 0.00 C ATOM 331 O PRO A 446 -0.037 -12.637 11.402 1.00 0.00 O ATOM 332 CB PRO A 446 -2.585 -14.306 12.069 1.00 0.00 C ATOM 333 CG PRO A 446 -2.944 -14.070 10.643 1.00 0.00 C ATOM 334 CD PRO A 446 -3.464 -12.660 10.575 1.00 0.00 C ATOM 0 HA PRO A 446 -2.336 -12.766 13.631 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.804 -15.061 12.161 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.442 -14.664 12.639 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.076 -14.198 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.699 -14.781 10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.223 -12.188 9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.548 -12.626 10.682 1.00 0.00 H new ATOM 342 N LYS A 447 0.084 -12.992 13.620 1.00 0.00 N ATOM 343 CA LYS A 447 1.540 -12.919 13.664 1.00 0.00 C ATOM 344 C LYS A 447 2.161 -13.792 12.578 1.00 0.00 C ATOM 345 O LYS A 447 3.214 -13.463 12.032 1.00 0.00 O ATOM 346 CB LYS A 447 2.052 -13.354 15.039 1.00 0.00 C ATOM 347 CG LYS A 447 1.871 -14.837 15.314 1.00 0.00 C ATOM 348 CD LYS A 447 3.077 -15.640 14.859 1.00 0.00 C ATOM 349 CE LYS A 447 4.198 -15.593 15.886 1.00 0.00 C ATOM 350 NZ LYS A 447 5.287 -16.557 15.564 1.00 0.00 N ATOM 0 H LYS A 447 -0.357 -13.163 14.524 1.00 0.00 H new ATOM 0 HA LYS A 447 1.833 -11.884 13.485 1.00 0.00 H new ATOM 0 HB2 LYS A 447 3.110 -13.105 15.119 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.531 -12.784 15.808 1.00 0.00 H new ATOM 0 HG2 LYS A 447 1.710 -14.993 16.381 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.979 -15.197 14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.782 -16.675 14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 447 3.437 -15.249 13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 447 4.608 -14.584 15.930 1.00 0.00 H new ATOM 0 HE3 LYS A 447 3.795 -15.817 16.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 6.031 -16.494 16.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 4.902 -17.523 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 5.689 -16.328 14.633 1.00 0.00 H new ATOM 364 N GLU A 448 1.502 -14.905 12.271 1.00 0.00 N ATOM 365 CA GLU A 448 1.991 -15.824 11.250 1.00 0.00 C ATOM 366 C GLU A 448 2.407 -15.068 9.991 1.00 0.00 C ATOM 367 O GLU A 448 3.210 -15.558 9.197 1.00 0.00 O ATOM 368 CB GLU A 448 0.916 -16.857 10.905 1.00 0.00 C ATOM 369 CG GLU A 448 -0.098 -16.364 9.886 1.00 0.00 C ATOM 370 CD GLU A 448 -1.166 -17.395 9.579 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.234 -18.412 10.302 1.00 0.00 O ATOM 372 OE2 GLU A 448 -1.934 -17.187 8.617 1.00 0.00 O ATOM 0 H GLU A 448 0.629 -15.192 12.714 1.00 0.00 H new ATOM 0 HA GLU A 448 2.865 -16.338 11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.398 -17.756 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.392 -17.142 11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.572 -15.456 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.419 -16.097 8.964 1.00 0.00 H new ATOM 379 N TRP A 449 1.855 -13.873 9.817 1.00 0.00 N ATOM 380 CA TRP A 449 2.168 -13.049 8.655 1.00 0.00 C ATOM 381 C TRP A 449 3.600 -12.530 8.725 1.00 0.00 C ATOM 382 O TRP A 449 4.357 -12.887 9.628 1.00 0.00 O ATOM 383 CB TRP A 449 1.192 -11.875 8.558 1.00 0.00 C ATOM 384 CG TRP A 449 -0.130 -12.249 7.958 1.00 0.00 C ATOM 385 CD1 TRP A 449 -0.790 -13.436 8.106 1.00 0.00 C ATOM 386 CD2 TRP A 449 -0.950 -11.434 7.114 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.972 -13.406 7.405 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.093 -12.189 6.788 1.00 0.00 C ATOM 389 CE3 TRP A 449 -0.830 -10.138 6.604 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.107 -11.691 5.975 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -1.837 -9.645 5.796 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.964 -10.420 5.489 1.00 0.00 C ATOM 0 H TRP A 449 1.189 -13.453 10.465 1.00 0.00 H new ATOM 0 HA TRP A 449 2.069 -13.669 7.764 1.00 0.00 H new ATOM 0 HB2 TRP A 449 1.028 -11.465 9.555 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.644 -11.085 7.959 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.435 -14.274 8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.649 -14.167 7.353 1.00 0.00 H new ATOM 0 HE3 TRP A 449 0.034 -9.533 6.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -3.976 -12.287 5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.754 -8.646 5.394 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.735 -10.006 4.856 1.00 0.00 H new ATOM 403 N LYS A 450 3.967 -11.687 7.766 1.00 0.00 N ATOM 404 CA LYS A 450 5.309 -11.117 7.720 1.00 0.00 C ATOM 405 C LYS A 450 5.321 -9.819 6.920 1.00 0.00 C ATOM 406 O LYS A 450 4.391 -9.533 6.165 1.00 0.00 O ATOM 407 CB LYS A 450 6.288 -12.118 7.103 1.00 0.00 C ATOM 408 CG LYS A 450 6.714 -13.220 8.058 1.00 0.00 C ATOM 409 CD LYS A 450 7.845 -14.053 7.479 1.00 0.00 C ATOM 410 CE LYS A 450 7.332 -15.056 6.457 1.00 0.00 C ATOM 411 NZ LYS A 450 6.940 -16.344 7.093 1.00 0.00 N ATOM 0 H LYS A 450 3.354 -11.383 7.010 1.00 0.00 H new ATOM 0 HA LYS A 450 5.619 -10.896 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.828 -12.569 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.174 -11.583 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 450 7.032 -12.781 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.862 -13.863 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 450 8.578 -13.397 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 450 8.358 -14.581 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 450 6.475 -14.634 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 450 8.104 -15.240 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 6.596 -17.001 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 7.764 -16.760 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 6.186 -16.173 7.788 1.00 0.00 H new ATOM 425 N THR A 451 6.381 -9.034 7.090 1.00 0.00 N ATOM 426 CA THR A 451 6.515 -7.767 6.383 1.00 0.00 C ATOM 427 C THR A 451 6.245 -7.936 4.893 1.00 0.00 C ATOM 428 O THR A 451 5.593 -7.097 4.271 1.00 0.00 O ATOM 429 CB THR A 451 7.919 -7.163 6.574 1.00 0.00 C ATOM 430 OG1 THR A 451 8.256 -7.135 7.965 1.00 0.00 O ATOM 431 CG2 THR A 451 7.985 -5.755 6.002 1.00 0.00 C ATOM 0 H THR A 451 7.159 -9.254 7.712 1.00 0.00 H new ATOM 0 HA THR A 451 5.775 -7.089 6.808 1.00 0.00 H new ATOM 0 HB THR A 451 8.635 -7.789 6.040 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.151 -6.751 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.986 -5.349 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.758 -5.784 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.259 -5.121 6.511 1.00 0.00 H new ATOM 439 N SER A 452 6.749 -9.027 4.325 1.00 0.00 N ATOM 440 CA SER A 452 6.564 -9.305 2.906 1.00 0.00 C ATOM 441 C SER A 452 5.082 -9.414 2.562 1.00 0.00 C ATOM 442 O SER A 452 4.628 -8.885 1.548 1.00 0.00 O ATOM 443 CB SER A 452 7.286 -10.598 2.519 1.00 0.00 C ATOM 444 OG SER A 452 8.689 -10.407 2.483 1.00 0.00 O ATOM 0 H SER A 452 7.289 -9.733 4.826 1.00 0.00 H new ATOM 0 HA SER A 452 6.990 -8.476 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.041 -11.383 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 452 6.937 -10.935 1.543 1.00 0.00 H new ATOM 0 HG SER A 452 9.127 -11.248 2.235 1.00 0.00 H new ATOM 450 N ASP A 453 4.333 -10.105 3.414 1.00 0.00 N ATOM 451 CA ASP A 453 2.901 -10.284 3.203 1.00 0.00 C ATOM 452 C ASP A 453 2.183 -8.939 3.179 1.00 0.00 C ATOM 453 O ASP A 453 1.286 -8.716 2.365 1.00 0.00 O ATOM 454 CB ASP A 453 2.309 -11.173 4.298 1.00 0.00 C ATOM 455 CG ASP A 453 2.810 -12.602 4.217 1.00 0.00 C ATOM 456 OD1 ASP A 453 3.971 -12.846 4.605 1.00 0.00 O ATOM 457 OD2 ASP A 453 2.040 -13.476 3.764 1.00 0.00 O ATOM 0 H ASP A 453 4.694 -10.551 4.258 1.00 0.00 H new ATOM 0 HA ASP A 453 2.759 -10.768 2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.560 -10.758 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 453 1.222 -11.167 4.219 1.00 0.00 H new ATOM 462 N LEU A 454 2.582 -8.045 4.077 1.00 0.00 N ATOM 463 CA LEU A 454 1.976 -6.721 4.161 1.00 0.00 C ATOM 464 C LEU A 454 2.268 -5.908 2.904 1.00 0.00 C ATOM 465 O LEU A 454 1.369 -5.627 2.111 1.00 0.00 O ATOM 466 CB LEU A 454 2.494 -5.978 5.394 1.00 0.00 C ATOM 467 CG LEU A 454 1.745 -6.244 6.701 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.252 -6.021 6.516 1.00 0.00 C ATOM 469 CD2 LEU A 454 2.018 -7.657 7.194 1.00 0.00 C ATOM 0 H LEU A 454 3.323 -8.213 4.758 1.00 0.00 H new ATOM 0 HA LEU A 454 0.897 -6.848 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.542 -6.241 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.460 -4.908 5.190 1.00 0.00 H new ATOM 0 HG LEU A 454 2.106 -5.542 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.264 -6.215 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.073 -4.990 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.125 -6.698 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.477 -7.829 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.686 -8.375 6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.087 -7.782 7.367 1.00 0.00 H new ATOM 481 N TYR A 455 3.531 -5.535 2.727 1.00 0.00 N ATOM 482 CA TYR A 455 3.942 -4.755 1.566 1.00 0.00 C ATOM 483 C TYR A 455 3.328 -5.316 0.287 1.00 0.00 C ATOM 484 O TYR A 455 2.584 -4.628 -0.411 1.00 0.00 O ATOM 485 CB TYR A 455 5.467 -4.739 1.449 1.00 0.00 C ATOM 486 CG TYR A 455 6.119 -3.593 2.189 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.627 -2.299 2.077 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.229 -3.804 2.998 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.220 -1.248 2.750 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.827 -2.760 3.676 1.00 0.00 C ATOM 491 CZ TYR A 455 7.319 -1.484 3.549 1.00 0.00 C ATOM 492 OH TYR A 455 7.913 -0.441 4.222 1.00 0.00 O ATOM 0 H TYR A 455 4.288 -5.760 3.373 1.00 0.00 H new ATOM 0 HA TYR A 455 3.584 -3.734 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.862 -5.680 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.742 -4.683 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.766 -2.111 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.631 -4.801 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.825 -0.248 2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.688 -2.942 4.302 1.00 0.00 H new ATOM 0 HH TYR A 455 8.673 -0.777 4.741 1.00 0.00 H new ATOM 502 N GLN A 456 3.647 -6.571 -0.013 1.00 0.00 N ATOM 503 CA GLN A 456 3.128 -7.226 -1.208 1.00 0.00 C ATOM 504 C GLN A 456 1.621 -7.025 -1.328 1.00 0.00 C ATOM 505 O GLN A 456 1.112 -6.692 -2.399 1.00 0.00 O ATOM 506 CB GLN A 456 3.454 -8.720 -1.178 1.00 0.00 C ATOM 507 CG GLN A 456 2.378 -9.565 -0.516 1.00 0.00 C ATOM 508 CD GLN A 456 2.629 -11.053 -0.665 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.036 -11.723 0.284 1.00 0.00 O ATOM 510 NE2 GLN A 456 2.388 -11.577 -1.861 1.00 0.00 N ATOM 0 H GLN A 456 4.262 -7.154 0.555 1.00 0.00 H new ATOM 0 HA GLN A 456 3.607 -6.774 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 456 3.603 -9.071 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 456 4.396 -8.867 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 456 2.325 -9.314 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 456 1.409 -9.319 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 456 2.051 -10.984 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 456 2.540 -12.573 -2.021 1.00 0.00 H new ATOM 519 N LEU A 457 0.912 -7.229 -0.223 1.00 0.00 N ATOM 520 CA LEU A 457 -0.538 -7.070 -0.204 1.00 0.00 C ATOM 521 C LEU A 457 -0.936 -5.659 -0.624 1.00 0.00 C ATOM 522 O LEU A 457 -1.619 -5.469 -1.631 1.00 0.00 O ATOM 523 CB LEU A 457 -1.085 -7.372 1.192 1.00 0.00 C ATOM 524 CG LEU A 457 -2.608 -7.417 1.321 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.137 -8.788 0.927 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.035 -7.067 2.739 1.00 0.00 C ATOM 0 H LEU A 457 1.318 -7.505 0.671 1.00 0.00 H new ATOM 0 HA LEU A 457 -0.966 -7.776 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.684 -8.332 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.704 -6.618 1.881 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.032 -6.677 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.222 -8.801 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.863 -9.000 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.705 -9.546 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.122 -7.104 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.600 -7.782 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.689 -6.063 2.986 1.00 0.00 H new ATOM 538 N PHE A 458 -0.504 -4.671 0.153 1.00 0.00 N ATOM 539 CA PHE A 458 -0.814 -3.276 -0.139 1.00 0.00 C ATOM 540 C PHE A 458 -0.053 -2.797 -1.372 1.00 0.00 C ATOM 541 O PHE A 458 -0.301 -1.703 -1.881 1.00 0.00 O ATOM 542 CB PHE A 458 -0.471 -2.393 1.062 1.00 0.00 C ATOM 543 CG PHE A 458 -1.575 -2.306 2.077 1.00 0.00 C ATOM 544 CD1 PHE A 458 -1.669 -3.237 3.099 1.00 0.00 C ATOM 545 CD2 PHE A 458 -2.518 -1.294 2.009 1.00 0.00 C ATOM 546 CE1 PHE A 458 -2.684 -3.160 4.034 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.535 -1.211 2.942 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.617 -2.145 3.956 1.00 0.00 C ATOM 0 H PHE A 458 0.062 -4.811 0.990 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.882 -3.201 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.426 -2.782 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.233 -1.390 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -0.941 -4.032 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -2.458 -0.561 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.747 -3.893 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.264 -0.417 2.878 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.410 -2.082 4.687 1.00 0.00 H new ATOM 558 N SER A 459 0.874 -3.622 -1.846 1.00 0.00 N ATOM 559 CA SER A 459 1.675 -3.282 -3.017 1.00 0.00 C ATOM 560 C SER A 459 0.810 -2.643 -4.099 1.00 0.00 C ATOM 561 O SER A 459 1.305 -1.901 -4.947 1.00 0.00 O ATOM 562 CB SER A 459 2.365 -4.530 -3.569 1.00 0.00 C ATOM 563 OG SER A 459 3.383 -4.183 -4.492 1.00 0.00 O ATOM 0 H SER A 459 1.090 -4.531 -1.437 1.00 0.00 H new ATOM 0 HA SER A 459 2.434 -2.562 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.794 -5.105 -2.749 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.630 -5.170 -4.057 1.00 0.00 H new ATOM 0 HG SER A 459 3.810 -4.998 -4.830 1.00 0.00 H new ATOM 569 N ALA A 460 -0.485 -2.938 -4.064 1.00 0.00 N ATOM 570 CA ALA A 460 -1.420 -2.393 -5.040 1.00 0.00 C ATOM 571 C ALA A 460 -1.228 -0.889 -5.203 1.00 0.00 C ATOM 572 O ALA A 460 -1.134 -0.383 -6.322 1.00 0.00 O ATOM 573 CB ALA A 460 -2.852 -2.702 -4.629 1.00 0.00 C ATOM 0 H ALA A 460 -0.911 -3.552 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.219 -2.865 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.540 -2.289 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -2.989 -3.782 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.055 -2.257 -3.655 1.00 0.00 H new ATOM 579 N PHE A 461 -1.170 -0.179 -4.081 1.00 0.00 N ATOM 580 CA PHE A 461 -0.990 1.268 -4.101 1.00 0.00 C ATOM 581 C PHE A 461 0.467 1.632 -4.369 1.00 0.00 C ATOM 582 O PHE A 461 0.760 2.506 -5.183 1.00 0.00 O ATOM 583 CB PHE A 461 -1.443 1.877 -2.772 1.00 0.00 C ATOM 584 CG PHE A 461 -2.774 1.365 -2.301 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.952 1.865 -2.832 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.847 0.383 -1.325 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.178 1.395 -2.400 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.070 -0.091 -0.890 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.237 0.417 -1.427 1.00 0.00 C ATOM 0 H PHE A 461 -1.245 -0.582 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.601 1.674 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.692 1.667 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.496 2.961 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.912 2.631 -3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.938 -0.016 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -6.089 1.792 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.113 -0.858 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.194 0.050 -1.086 1.00 0.00 H new ATOM 599 N GLY A 462 1.377 0.953 -3.677 1.00 0.00 N ATOM 600 CA GLY A 462 2.793 1.218 -3.854 1.00 0.00 C ATOM 601 C GLY A 462 3.528 1.344 -2.534 1.00 0.00 C ATOM 602 O GLY A 462 3.137 0.737 -1.538 1.00 0.00 O ATOM 0 H GLY A 462 1.159 0.224 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.240 0.415 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.919 2.137 -4.426 1.00 0.00 H new ATOM 606 N ASN A 463 4.598 2.133 -2.527 1.00 0.00 N ATOM 607 CA ASN A 463 5.391 2.335 -1.320 1.00 0.00 C ATOM 608 C ASN A 463 4.526 2.872 -0.184 1.00 0.00 C ATOM 609 O ASN A 463 3.831 3.876 -0.341 1.00 0.00 O ATOM 610 CB ASN A 463 6.544 3.301 -1.598 1.00 0.00 C ATOM 611 CG ASN A 463 7.681 2.642 -2.355 1.00 0.00 C ATOM 612 OD1 ASN A 463 7.556 2.336 -3.541 1.00 0.00 O ATOM 613 ND2 ASN A 463 8.797 2.420 -1.671 1.00 0.00 N ATOM 0 H ASN A 463 4.936 2.643 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 463 5.799 1.370 -1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 463 6.173 4.150 -2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.920 3.695 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 463 9.596 1.979 -2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 463 8.856 2.690 -0.689 1.00 0.00 H new ATOM 620 N ILE A 464 4.574 2.196 0.959 1.00 0.00 N ATOM 621 CA ILE A 464 3.797 2.606 2.122 1.00 0.00 C ATOM 622 C ILE A 464 4.627 2.517 3.398 1.00 0.00 C ATOM 623 O ILE A 464 5.746 2.006 3.386 1.00 0.00 O ATOM 624 CB ILE A 464 2.531 1.744 2.285 1.00 0.00 C ATOM 625 CG1 ILE A 464 2.906 0.325 2.715 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.737 1.717 0.987 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.742 -0.467 3.269 1.00 0.00 C ATOM 0 H ILE A 464 5.143 1.362 1.104 1.00 0.00 H new ATOM 0 HA ILE A 464 3.503 3.642 1.955 1.00 0.00 H new ATOM 0 HB ILE A 464 1.906 2.186 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.322 -0.207 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.691 0.378 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.845 1.104 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.443 2.732 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.353 1.296 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.082 -1.463 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.339 0.042 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 464 0.965 -0.552 2.509 1.00 0.00 H new ATOM 639 N GLN A 465 4.069 3.016 4.496 1.00 0.00 N ATOM 640 CA GLN A 465 4.758 2.991 5.781 1.00 0.00 C ATOM 641 C GLN A 465 4.092 2.008 6.738 1.00 0.00 C ATOM 642 O GLN A 465 3.071 2.321 7.352 1.00 0.00 O ATOM 643 CB GLN A 465 4.778 4.390 6.400 1.00 0.00 C ATOM 644 CG GLN A 465 5.547 4.466 7.709 1.00 0.00 C ATOM 645 CD GLN A 465 6.176 5.826 7.939 1.00 0.00 C ATOM 646 OE1 GLN A 465 5.505 6.770 8.356 1.00 0.00 O ATOM 647 NE2 GLN A 465 7.471 5.933 7.667 1.00 0.00 N ATOM 0 H GLN A 465 3.143 3.442 4.522 1.00 0.00 H new ATOM 0 HA GLN A 465 5.783 2.663 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.220 5.087 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.752 4.717 6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 465 4.874 4.237 8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.327 3.704 7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 465 7.988 5.124 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 465 7.949 6.824 7.802 1.00 0.00 H new ATOM 656 N ILE A 466 4.675 0.820 6.858 1.00 0.00 N ATOM 657 CA ILE A 466 4.137 -0.208 7.741 1.00 0.00 C ATOM 658 C ILE A 466 4.639 -0.024 9.169 1.00 0.00 C ATOM 659 O ILE A 466 5.806 -0.282 9.465 1.00 0.00 O ATOM 660 CB ILE A 466 4.512 -1.620 7.254 1.00 0.00 C ATOM 661 CG1 ILE A 466 4.067 -1.818 5.803 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.886 -2.674 8.154 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.742 -2.986 5.119 1.00 0.00 C ATOM 0 H ILE A 466 5.519 0.546 6.355 1.00 0.00 H new ATOM 0 HA ILE A 466 3.052 -0.103 7.724 1.00 0.00 H new ATOM 0 HB ILE A 466 5.596 -1.728 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.988 -1.968 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.275 -0.908 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 466 4.160 -3.667 7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.247 -2.543 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.801 -2.569 8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.379 -3.067 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.821 -2.829 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.513 -3.905 5.658 1.00 0.00 H new ATOM 675 N SER A 467 3.750 0.422 10.050 1.00 0.00 N ATOM 676 CA SER A 467 4.104 0.642 11.448 1.00 0.00 C ATOM 677 C SER A 467 3.713 -0.560 12.303 1.00 0.00 C ATOM 678 O SER A 467 2.530 -0.857 12.471 1.00 0.00 O ATOM 679 CB SER A 467 3.418 1.903 11.977 1.00 0.00 C ATOM 680 OG SER A 467 4.213 3.052 11.741 1.00 0.00 O ATOM 0 H SER A 467 2.780 0.638 9.821 1.00 0.00 H new ATOM 0 HA SER A 467 5.185 0.772 11.508 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.448 2.023 11.495 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.232 1.799 13.046 1.00 0.00 H new ATOM 0 HG SER A 467 3.752 3.845 12.086 1.00 0.00 H new ATOM 686 N TRP A 468 4.714 -1.246 12.840 1.00 0.00 N ATOM 687 CA TRP A 468 4.476 -2.416 13.678 1.00 0.00 C ATOM 688 C TRP A 468 4.096 -2.002 15.095 1.00 0.00 C ATOM 689 O TRP A 468 4.928 -1.495 15.848 1.00 0.00 O ATOM 690 CB TRP A 468 5.719 -3.308 13.710 1.00 0.00 C ATOM 691 CG TRP A 468 6.009 -3.970 12.397 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.690 -3.434 11.342 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.623 -5.290 11.999 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.752 -4.341 10.312 1.00 0.00 N ATOM 695 CE2 TRP A 468 6.106 -5.488 10.690 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.920 -6.325 12.621 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.905 -6.678 9.996 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.722 -7.505 11.931 1.00 0.00 C ATOM 699 CH2 TRP A 468 5.213 -7.674 10.629 1.00 0.00 C ATOM 0 H TRP A 468 5.699 -1.013 12.711 1.00 0.00 H new ATOM 0 HA TRP A 468 3.646 -2.977 13.248 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.580 -2.708 14.004 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.588 -4.074 14.474 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.117 -2.442 11.320 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.206 -4.185 9.412 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.538 -6.204 13.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.282 -6.810 8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 4.180 -8.311 12.403 1.00 0.00 H new ATOM 0 HH2 TRP A 468 5.042 -8.609 10.116 1.00 0.00 H new ATOM 710 N ILE A 469 2.835 -2.222 15.453 1.00 0.00 N ATOM 711 CA ILE A 469 2.346 -1.872 16.781 1.00 0.00 C ATOM 712 C ILE A 469 2.503 -3.040 17.749 1.00 0.00 C ATOM 713 O ILE A 469 3.189 -2.929 18.766 1.00 0.00 O ATOM 714 CB ILE A 469 0.867 -1.447 16.742 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.615 -0.505 15.563 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.473 -0.781 18.052 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.786 -0.602 15.001 1.00 0.00 C ATOM 0 H ILE A 469 2.134 -2.641 14.842 1.00 0.00 H new ATOM 0 HA ILE A 469 2.947 -1.032 17.128 1.00 0.00 H new ATOM 0 HB ILE A 469 0.252 -2.337 16.609 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.800 0.521 15.882 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.331 -0.727 14.772 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.575 -0.486 18.009 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.620 -1.481 18.875 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.092 0.102 18.212 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.893 0.093 14.169 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.968 -1.618 14.651 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.508 -0.351 15.778 1.00 0.00 H new ATOM 729 N ASP A 470 1.864 -4.159 17.426 1.00 0.00 N ATOM 730 CA ASP A 470 1.935 -5.349 18.265 1.00 0.00 C ATOM 731 C ASP A 470 2.238 -6.588 17.428 1.00 0.00 C ATOM 732 O ASP A 470 2.483 -6.491 16.225 1.00 0.00 O ATOM 733 CB ASP A 470 0.622 -5.541 19.026 1.00 0.00 C ATOM 734 CG ASP A 470 0.814 -6.280 20.336 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.363 -5.677 21.282 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.414 -7.460 20.415 1.00 0.00 O ATOM 0 H ASP A 470 1.291 -4.267 16.589 1.00 0.00 H new ATOM 0 HA ASP A 470 2.745 -5.210 18.981 1.00 0.00 H new ATOM 0 HB2 ASP A 470 0.175 -4.567 19.224 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -0.080 -6.093 18.400 1.00 0.00 H new ATOM 741 N ASP A 471 2.220 -7.750 18.071 1.00 0.00 N ATOM 742 CA ASP A 471 2.493 -9.008 17.386 1.00 0.00 C ATOM 743 C ASP A 471 1.370 -9.351 16.412 1.00 0.00 C ATOM 744 O ASP A 471 1.577 -10.076 15.439 1.00 0.00 O ATOM 745 CB ASP A 471 2.668 -10.139 18.401 1.00 0.00 C ATOM 746 CG ASP A 471 3.609 -11.220 17.906 1.00 0.00 C ATOM 747 OD1 ASP A 471 4.711 -10.875 17.432 1.00 0.00 O ATOM 748 OD2 ASP A 471 3.242 -12.411 17.993 1.00 0.00 O ATOM 0 H ASP A 471 2.019 -7.847 19.066 1.00 0.00 H new ATOM 0 HA ASP A 471 3.418 -8.892 16.820 1.00 0.00 H new ATOM 0 HB2 ASP A 471 3.050 -9.729 19.336 1.00 0.00 H new ATOM 0 HB3 ASP A 471 1.696 -10.580 18.620 1.00 0.00 H new ATOM 753 N THR A 472 0.179 -8.825 16.681 1.00 0.00 N ATOM 754 CA THR A 472 -0.978 -9.077 15.831 1.00 0.00 C ATOM 755 C THR A 472 -1.675 -7.776 15.451 1.00 0.00 C ATOM 756 O THR A 472 -2.840 -7.778 15.054 1.00 0.00 O ATOM 757 CB THR A 472 -1.993 -10.006 16.524 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.505 -9.379 17.705 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.348 -11.335 16.889 1.00 0.00 C ATOM 0 H THR A 472 -0.009 -8.221 17.481 1.00 0.00 H new ATOM 0 HA THR A 472 -0.607 -9.564 14.929 1.00 0.00 H new ATOM 0 HB THR A 472 -2.812 -10.195 15.830 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.151 -9.975 18.138 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.083 -11.975 17.377 1.00 0.00 H new ATOM 0 HG22 THR A 472 -0.985 -11.824 15.985 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.513 -11.160 17.567 1.00 0.00 H new ATOM 767 N SER A 473 -0.953 -6.666 15.574 1.00 0.00 N ATOM 768 CA SER A 473 -1.504 -5.356 15.245 1.00 0.00 C ATOM 769 C SER A 473 -0.492 -4.521 14.468 1.00 0.00 C ATOM 770 O SER A 473 0.688 -4.477 14.812 1.00 0.00 O ATOM 771 CB SER A 473 -1.918 -4.620 16.521 1.00 0.00 C ATOM 772 OG SER A 473 -2.791 -3.542 16.227 1.00 0.00 O ATOM 0 H SER A 473 0.014 -6.648 15.899 1.00 0.00 H new ATOM 0 HA SER A 473 -2.383 -5.505 14.618 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.409 -5.315 17.202 1.00 0.00 H new ATOM 0 HB3 SER A 473 -1.031 -4.245 17.032 1.00 0.00 H new ATOM 0 HG SER A 473 -3.043 -3.089 17.059 1.00 0.00 H new ATOM 778 N ALA A 474 -0.964 -3.859 13.416 1.00 0.00 N ATOM 779 CA ALA A 474 -0.102 -3.023 12.590 1.00 0.00 C ATOM 780 C ALA A 474 -0.831 -1.764 12.134 1.00 0.00 C ATOM 781 O ALA A 474 -2.023 -1.597 12.393 1.00 0.00 O ATOM 782 CB ALA A 474 0.401 -3.809 11.388 1.00 0.00 C ATOM 0 H ALA A 474 -1.939 -3.886 13.116 1.00 0.00 H new ATOM 0 HA ALA A 474 0.752 -2.717 13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 474 1.044 -3.172 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.968 -4.675 11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.447 -4.144 10.791 1.00 0.00 H new ATOM 788 N PHE A 475 -0.109 -0.881 11.453 1.00 0.00 N ATOM 789 CA PHE A 475 -0.688 0.364 10.962 1.00 0.00 C ATOM 790 C PHE A 475 -0.312 0.600 9.502 1.00 0.00 C ATOM 791 O PHE A 475 0.785 0.248 9.066 1.00 0.00 O ATOM 792 CB PHE A 475 -0.218 1.542 11.818 1.00 0.00 C ATOM 793 CG PHE A 475 -1.136 1.853 12.965 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.507 1.909 12.777 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.627 2.090 14.232 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.355 2.195 13.831 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.470 2.375 15.290 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.835 2.429 15.088 1.00 0.00 C ATOM 0 H PHE A 475 0.878 -1.004 11.228 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.773 0.283 11.031 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.776 1.324 12.208 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.126 2.426 11.187 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.919 1.727 11.795 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.440 2.052 14.395 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.422 2.235 13.671 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.061 2.555 16.273 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.495 2.654 15.913 1.00 0.00 H new ATOM 808 N VAL A 476 -1.231 1.197 8.749 1.00 0.00 N ATOM 809 CA VAL A 476 -0.997 1.481 7.339 1.00 0.00 C ATOM 810 C VAL A 476 -1.232 2.955 7.028 1.00 0.00 C ATOM 811 O VAL A 476 -2.214 3.546 7.478 1.00 0.00 O ATOM 812 CB VAL A 476 -1.906 0.626 6.436 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.825 1.101 4.993 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.532 -0.844 6.544 1.00 0.00 C ATOM 0 H VAL A 476 -2.145 1.493 9.093 1.00 0.00 H new ATOM 0 HA VAL A 476 0.044 1.232 7.135 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.936 0.741 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.474 0.485 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -2.146 2.141 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.797 1.018 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -2.184 -1.434 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.496 -0.980 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.647 -1.174 7.576 1.00 0.00 H new ATOM 824 N SER A 477 -0.325 3.544 6.256 1.00 0.00 N ATOM 825 CA SER A 477 -0.432 4.951 5.887 1.00 0.00 C ATOM 826 C SER A 477 -0.445 5.116 4.370 1.00 0.00 C ATOM 827 O SER A 477 0.309 4.454 3.656 1.00 0.00 O ATOM 828 CB SER A 477 0.728 5.747 6.488 1.00 0.00 C ATOM 829 OG SER A 477 1.858 5.726 5.633 1.00 0.00 O ATOM 0 H SER A 477 0.493 3.069 5.874 1.00 0.00 H new ATOM 0 HA SER A 477 -1.372 5.335 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.416 6.777 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 477 0.995 5.330 7.459 1.00 0.00 H new ATOM 0 HG SER A 477 2.452 6.472 5.858 1.00 0.00 H new ATOM 835 N LEU A 478 -1.307 6.002 3.885 1.00 0.00 N ATOM 836 CA LEU A 478 -1.420 6.256 2.453 1.00 0.00 C ATOM 837 C LEU A 478 -1.111 7.715 2.132 1.00 0.00 C ATOM 838 O LEU A 478 -0.863 8.519 3.030 1.00 0.00 O ATOM 839 CB LEU A 478 -2.824 5.899 1.961 1.00 0.00 C ATOM 840 CG LEU A 478 -3.258 4.448 2.166 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.614 4.200 1.522 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.215 3.494 1.601 1.00 0.00 C ATOM 0 H LEU A 478 -1.938 6.557 4.462 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.691 5.629 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.540 6.546 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.884 6.128 0.897 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.348 4.264 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.907 3.162 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.357 4.858 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.551 4.402 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.541 2.465 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.093 3.679 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.263 3.653 2.108 1.00 0.00 H new ATOM 854 N SER A 479 -1.130 8.049 0.846 1.00 0.00 N ATOM 855 CA SER A 479 -0.851 9.411 0.406 1.00 0.00 C ATOM 856 C SER A 479 -2.140 10.218 0.286 1.00 0.00 C ATOM 857 O SER A 479 -2.206 11.369 0.718 1.00 0.00 O ATOM 858 CB SER A 479 -0.118 9.396 -0.937 1.00 0.00 C ATOM 859 OG SER A 479 -0.933 8.844 -1.956 1.00 0.00 O ATOM 0 H SER A 479 -1.336 7.395 0.090 1.00 0.00 H new ATOM 0 HA SER A 479 -0.215 9.885 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 479 0.171 10.411 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 479 0.800 8.816 -0.847 1.00 0.00 H new ATOM 0 HG SER A 479 -0.443 8.847 -2.805 1.00 0.00 H new ATOM 865 N GLN A 480 -3.161 9.606 -0.304 1.00 0.00 N ATOM 866 CA GLN A 480 -4.449 10.267 -0.482 1.00 0.00 C ATOM 867 C GLN A 480 -5.556 9.507 0.240 1.00 0.00 C ATOM 868 O GLN A 480 -5.514 8.284 0.380 1.00 0.00 O ATOM 869 CB GLN A 480 -4.783 10.387 -1.970 1.00 0.00 C ATOM 870 CG GLN A 480 -3.956 11.436 -2.697 1.00 0.00 C ATOM 871 CD GLN A 480 -4.283 11.515 -4.175 1.00 0.00 C ATOM 872 OE1 GLN A 480 -3.912 10.636 -4.953 1.00 0.00 O ATOM 873 NE2 GLN A 480 -4.983 12.573 -4.571 1.00 0.00 N ATOM 0 H GLN A 480 -3.122 8.654 -0.667 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.379 11.266 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.628 9.419 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.840 10.631 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -4.127 12.410 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -2.897 11.207 -2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -5.270 13.278 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -5.233 12.680 -5.554 1.00 0.00 H new ATOM 882 N PRO A 481 -6.572 10.245 0.711 1.00 0.00 N ATOM 883 CA PRO A 481 -7.710 9.661 1.427 1.00 0.00 C ATOM 884 C PRO A 481 -8.607 8.834 0.513 1.00 0.00 C ATOM 885 O PRO A 481 -9.136 7.800 0.919 1.00 0.00 O ATOM 886 CB PRO A 481 -8.465 10.885 1.952 1.00 0.00 C ATOM 887 CG PRO A 481 -8.100 11.985 1.016 1.00 0.00 C ATOM 888 CD PRO A 481 -6.687 11.708 0.581 1.00 0.00 C ATOM 0 HA PRO A 481 -7.390 8.973 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.541 10.713 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.172 11.122 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.774 12.009 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.174 12.955 1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.510 12.036 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.964 12.226 1.211 1.00 0.00 H new ATOM 896 N GLU A 482 -8.772 9.296 -0.723 1.00 0.00 N ATOM 897 CA GLU A 482 -9.606 8.597 -1.693 1.00 0.00 C ATOM 898 C GLU A 482 -9.328 7.097 -1.670 1.00 0.00 C ATOM 899 O GLU A 482 -10.252 6.284 -1.655 1.00 0.00 O ATOM 900 CB GLU A 482 -9.363 9.149 -3.099 1.00 0.00 C ATOM 901 CG GLU A 482 -10.230 10.349 -3.440 1.00 0.00 C ATOM 902 CD GLU A 482 -9.701 11.640 -2.845 1.00 0.00 C ATOM 903 OE1 GLU A 482 -8.552 12.011 -3.159 1.00 0.00 O ATOM 904 OE2 GLU A 482 -10.438 12.278 -2.064 1.00 0.00 O ATOM 0 H GLU A 482 -8.340 10.150 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.649 8.760 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -8.314 9.431 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.548 8.359 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -10.292 10.451 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -11.243 10.175 -3.078 1.00 0.00 H new ATOM 911 N GLN A 483 -8.048 6.738 -1.666 1.00 0.00 N ATOM 912 CA GLN A 483 -7.648 5.336 -1.646 1.00 0.00 C ATOM 913 C GLN A 483 -8.307 4.599 -0.485 1.00 0.00 C ATOM 914 O GLN A 483 -8.816 3.490 -0.649 1.00 0.00 O ATOM 915 CB GLN A 483 -6.126 5.220 -1.541 1.00 0.00 C ATOM 916 CG GLN A 483 -5.386 5.833 -2.719 1.00 0.00 C ATOM 917 CD GLN A 483 -5.537 5.021 -3.990 1.00 0.00 C ATOM 918 OE1 GLN A 483 -6.597 4.454 -4.256 1.00 0.00 O ATOM 919 NE2 GLN A 483 -4.473 4.959 -4.783 1.00 0.00 N ATOM 0 H GLN A 483 -7.271 7.398 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.977 4.877 -2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.796 5.705 -0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.855 4.167 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.758 6.843 -2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -4.328 5.921 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -3.614 5.445 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -4.515 4.426 -5.652 1.00 0.00 H new ATOM 928 N VAL A 484 -8.294 5.222 0.690 1.00 0.00 N ATOM 929 CA VAL A 484 -8.891 4.625 1.878 1.00 0.00 C ATOM 930 C VAL A 484 -10.150 3.841 1.526 1.00 0.00 C ATOM 931 O VAL A 484 -10.246 2.646 1.806 1.00 0.00 O ATOM 932 CB VAL A 484 -9.244 5.697 2.927 1.00 0.00 C ATOM 933 CG1 VAL A 484 -9.990 5.074 4.097 1.00 0.00 C ATOM 934 CG2 VAL A 484 -7.987 6.409 3.404 1.00 0.00 C ATOM 0 H VAL A 484 -7.876 6.140 0.844 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.149 3.946 2.298 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.898 6.435 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.231 5.846 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.911 4.614 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.364 4.315 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.255 7.163 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.307 5.685 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.498 6.890 2.557 1.00 0.00 H new ATOM 944 N GLN A 485 -11.111 4.521 0.911 1.00 0.00 N ATOM 945 CA GLN A 485 -12.365 3.887 0.520 1.00 0.00 C ATOM 946 C GLN A 485 -12.107 2.553 -0.174 1.00 0.00 C ATOM 947 O GLN A 485 -12.624 1.516 0.242 1.00 0.00 O ATOM 948 CB GLN A 485 -13.162 4.810 -0.402 1.00 0.00 C ATOM 949 CG GLN A 485 -14.105 5.745 0.339 1.00 0.00 C ATOM 950 CD GLN A 485 -13.415 6.502 1.456 1.00 0.00 C ATOM 951 OE1 GLN A 485 -12.896 7.600 1.250 1.00 0.00 O ATOM 952 NE2 GLN A 485 -13.407 5.920 2.650 1.00 0.00 N ATOM 0 H GLN A 485 -11.046 5.511 0.672 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.945 3.699 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.468 5.404 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -13.739 4.203 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.534 6.457 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.932 5.168 0.753 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -13.849 5.009 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -12.959 6.384 3.440 1.00 0.00 H new ATOM 961 N ILE A 486 -11.307 2.589 -1.234 1.00 0.00 N ATOM 962 CA ILE A 486 -10.981 1.383 -1.985 1.00 0.00 C ATOM 963 C ILE A 486 -10.435 0.294 -1.068 1.00 0.00 C ATOM 964 O ILE A 486 -10.972 -0.811 -1.012 1.00 0.00 O ATOM 965 CB ILE A 486 -9.949 1.671 -3.092 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.589 2.486 -4.217 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.375 0.370 -3.632 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.653 3.969 -3.929 1.00 0.00 C ATOM 0 H ILE A 486 -10.873 3.440 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.907 1.037 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 486 -9.134 2.255 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -10.025 2.327 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.598 2.115 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.647 0.590 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.887 -0.175 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.179 -0.238 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -11.119 4.483 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -11.242 4.140 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.644 4.355 -3.781 1.00 0.00 H new ATOM 980 N ALA A 487 -9.365 0.616 -0.348 1.00 0.00 N ATOM 981 CA ALA A 487 -8.749 -0.333 0.571 1.00 0.00 C ATOM 982 C ALA A 487 -9.799 -1.015 1.441 1.00 0.00 C ATOM 983 O ALA A 487 -9.813 -2.239 1.570 1.00 0.00 O ATOM 984 CB ALA A 487 -7.716 0.369 1.440 1.00 0.00 C ATOM 0 H ALA A 487 -8.907 1.527 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.250 -1.101 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.264 -0.351 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.943 0.804 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.200 1.158 2.015 1.00 0.00 H new ATOM 990 N VAL A 488 -10.677 -0.215 2.039 1.00 0.00 N ATOM 991 CA VAL A 488 -11.731 -0.742 2.897 1.00 0.00 C ATOM 992 C VAL A 488 -12.707 -1.604 2.103 1.00 0.00 C ATOM 993 O VAL A 488 -13.128 -2.665 2.562 1.00 0.00 O ATOM 994 CB VAL A 488 -12.510 0.391 3.590 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.694 -0.169 4.362 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.592 1.185 4.507 1.00 0.00 C ATOM 0 H VAL A 488 -10.679 0.801 1.945 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.244 -1.355 3.656 1.00 0.00 H new ATOM 0 HB VAL A 488 -12.893 1.066 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.232 0.647 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.363 -0.689 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.337 -0.867 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.159 1.982 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.177 0.524 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.781 1.619 3.923 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.061 -1.139 0.909 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.988 -1.868 0.050 1.00 0.00 C ATOM 1008 C ASN A 489 -13.543 -3.316 -0.125 1.00 0.00 C ATOM 1009 O ASN A 489 -14.328 -4.247 0.064 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.093 -1.186 -1.315 1.00 0.00 C ATOM 1011 CG ASN A 489 -14.421 0.290 -1.200 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -14.868 0.759 -0.153 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.200 1.031 -2.280 1.00 0.00 N ATOM 0 H ASN A 489 -12.721 -0.262 0.515 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.968 -1.863 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -13.152 -1.305 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -14.862 -1.681 -1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -14.402 2.031 -2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.828 0.600 -3.127 1.00 0.00 H new ATOM 1020 N THR A 490 -12.277 -3.501 -0.488 1.00 0.00 N ATOM 1021 CA THR A 490 -11.727 -4.836 -0.690 1.00 0.00 C ATOM 1022 C THR A 490 -11.724 -5.632 0.610 1.00 0.00 C ATOM 1023 O THR A 490 -11.909 -6.849 0.605 1.00 0.00 O ATOM 1024 CB THR A 490 -10.291 -4.774 -1.244 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.408 -4.233 -0.255 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.233 -3.922 -2.503 1.00 0.00 C ATOM 0 H THR A 490 -11.614 -2.743 -0.648 1.00 0.00 H new ATOM 0 HA THR A 490 -12.368 -5.335 -1.417 1.00 0.00 H new ATOM 0 HB THR A 490 -9.978 -5.787 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.866 -3.521 0.238 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.209 -3.893 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.884 -4.352 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.564 -2.909 -2.273 1.00 0.00 H new ATOM 1034 N SER A 491 -11.514 -4.937 1.724 1.00 0.00 N ATOM 1035 CA SER A 491 -11.484 -5.580 3.032 1.00 0.00 C ATOM 1036 C SER A 491 -12.868 -6.096 3.415 1.00 0.00 C ATOM 1037 O SER A 491 -13.005 -7.187 3.969 1.00 0.00 O ATOM 1038 CB SER A 491 -10.981 -4.600 4.094 1.00 0.00 C ATOM 1039 OG SER A 491 -12.017 -3.732 4.519 1.00 0.00 O ATOM 0 H SER A 491 -11.362 -3.929 1.746 1.00 0.00 H new ATOM 0 HA SER A 491 -10.801 -6.428 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.592 -5.153 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 491 -10.155 -4.015 3.691 1.00 0.00 H new ATOM 0 HG SER A 491 -12.366 -3.238 3.748 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.892 -5.304 3.116 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.266 -5.679 3.427 1.00 0.00 C ATOM 1047 C LYS A 492 -15.477 -7.178 3.239 1.00 0.00 C ATOM 1048 O LYS A 492 -15.850 -7.884 4.175 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.241 -4.900 2.542 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.491 -3.479 3.015 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.509 -2.770 2.138 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.873 -1.404 2.699 1.00 0.00 C ATOM 1053 NZ LYS A 492 -19.009 -0.785 1.961 1.00 0.00 N ATOM 0 H LYS A 492 -13.796 -4.398 2.658 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.457 -5.432 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.851 -4.872 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.191 -5.434 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -16.846 -3.495 4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -15.554 -2.922 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -17.107 -2.656 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -18.408 -3.381 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -18.135 -1.502 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -17.005 -0.747 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -19.226 0.144 2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -18.750 -0.667 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.845 -1.399 2.032 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.235 -7.656 2.024 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.399 -9.071 1.713 1.00 0.00 C ATOM 1069 C TYR A 493 -14.245 -9.892 2.280 1.00 0.00 C ATOM 1070 O TYR A 493 -14.447 -10.983 2.812 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.489 -9.275 0.199 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.146 -9.260 -0.495 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.354 -10.400 -0.544 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.668 -8.104 -1.100 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -12.126 -10.391 -1.176 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.441 -8.085 -1.735 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.674 -9.231 -1.771 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.451 -9.216 -2.402 1.00 0.00 O ATOM 0 H TYR A 493 -14.925 -7.085 1.238 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.325 -9.413 2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.982 -10.226 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.118 -8.494 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.705 -11.310 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.266 -7.205 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.523 -11.287 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -12.084 -7.178 -2.201 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.283 -8.323 -2.769 1.00 0.00 H new ATOM 1088 N ALA A 494 -13.034 -9.357 2.163 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.846 -10.036 2.666 1.00 0.00 C ATOM 1090 C ALA A 494 -12.114 -10.676 4.024 1.00 0.00 C ATOM 1091 O ALA A 494 -12.444 -9.989 4.989 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.681 -9.063 2.759 1.00 0.00 C ATOM 0 H ALA A 494 -12.850 -8.455 1.724 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.586 -10.829 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.801 -9.584 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.466 -8.657 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.939 -8.250 3.437 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.970 -11.996 4.089 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.199 -12.728 5.330 1.00 0.00 C ATOM 1100 C GLU A 495 -10.878 -13.039 6.029 1.00 0.00 C ATOM 1101 O GLU A 495 -10.733 -12.820 7.231 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.959 -14.026 5.050 1.00 0.00 C ATOM 1103 CG GLU A 495 -14.344 -13.806 4.465 1.00 0.00 C ATOM 1104 CD GLU A 495 -14.816 -14.979 3.627 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.727 -16.127 4.111 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -15.273 -14.748 2.488 1.00 0.00 O ATOM 0 H GLU A 495 -11.696 -12.580 3.299 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.799 -12.099 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.376 -14.637 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.051 -14.591 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -15.053 -13.634 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -14.336 -12.905 3.851 1.00 0.00 H new ATOM 1113 N SER A 496 -9.919 -13.554 5.266 1.00 0.00 N ATOM 1114 CA SER A 496 -8.612 -13.900 5.812 1.00 0.00 C ATOM 1115 C SER A 496 -8.053 -12.756 6.653 1.00 0.00 C ATOM 1116 O SER A 496 -7.583 -12.964 7.771 1.00 0.00 O ATOM 1117 CB SER A 496 -7.638 -14.240 4.682 1.00 0.00 C ATOM 1118 OG SER A 496 -8.058 -15.395 3.977 1.00 0.00 O ATOM 0 H SER A 496 -10.023 -13.741 4.269 1.00 0.00 H new ATOM 0 HA SER A 496 -8.734 -14.773 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.565 -13.397 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 496 -6.642 -14.403 5.093 1.00 0.00 H new ATOM 0 HG SER A 496 -7.420 -15.590 3.259 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.109 -11.546 6.106 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.607 -10.368 6.803 1.00 0.00 C ATOM 1126 C TYR A 497 -8.732 -9.372 7.069 1.00 0.00 C ATOM 1127 O TYR A 497 -9.794 -9.438 6.449 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.501 -9.699 5.986 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.983 -9.119 4.675 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.641 -7.896 4.635 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.780 -9.794 3.478 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.084 -7.362 3.440 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.218 -9.267 2.278 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.869 -8.051 2.264 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.308 -7.524 1.071 1.00 0.00 O ATOM 0 H TYR A 497 -8.497 -11.356 5.182 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.198 -10.690 7.760 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.051 -8.905 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.717 -10.429 5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.809 -7.353 5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.271 -10.747 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.596 -6.411 3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -7.052 -9.804 1.356 1.00 0.00 H new ATOM 0 HH TYR A 497 -8.076 -8.133 0.339 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.490 -8.449 7.994 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.482 -7.439 8.343 1.00 0.00 C ATOM 1147 C ARG A 498 -8.855 -6.048 8.367 1.00 0.00 C ATOM 1148 O ARG A 498 -7.795 -5.844 8.959 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.104 -7.754 9.705 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.331 -6.915 10.022 1.00 0.00 C ATOM 1151 CD ARG A 498 -11.754 -7.074 11.474 1.00 0.00 C ATOM 1152 NE ARG A 498 -13.193 -6.898 11.647 1.00 0.00 N ATOM 1153 CZ ARG A 498 -13.788 -6.828 12.833 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -13.070 -6.919 13.945 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -15.103 -6.666 12.909 1.00 0.00 N ATOM 0 H ARG A 498 -7.616 -8.380 8.515 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.263 -7.454 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.378 -8.809 9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.356 -7.597 10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.119 -5.866 9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.152 -7.208 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -11.464 -8.063 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -11.223 -6.346 12.088 1.00 0.00 H new ATOM 0 HE ARG A 498 -13.773 -6.825 10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -12.059 -7.043 13.891 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -13.529 -6.865 14.854 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -15.658 -6.595 12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -15.558 -6.612 13.820 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.518 -5.095 7.720 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.026 -3.724 7.668 1.00 0.00 C ATOM 1171 C ILE A 499 -10.084 -2.742 8.159 1.00 0.00 C ATOM 1172 O ILE A 499 -11.262 -2.866 7.825 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.601 -3.332 6.241 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.640 -4.376 5.667 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -7.957 -1.954 6.239 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.093 -4.009 4.305 1.00 0.00 C ATOM 0 H ILE A 499 -10.397 -5.247 7.225 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.156 -3.676 8.323 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.489 -3.297 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.809 -4.512 6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -8.156 -5.333 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.662 -1.692 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.670 -1.219 6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.076 -1.963 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.420 -4.794 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.917 -3.901 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.548 -3.067 4.373 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.655 -1.765 8.952 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.566 -0.761 9.487 1.00 0.00 C ATOM 1190 C GLN A 500 -9.927 0.624 9.459 1.00 0.00 C ATOM 1191 O GLN A 500 -8.791 0.787 9.011 1.00 0.00 O ATOM 1192 CB GLN A 500 -10.970 -1.119 10.919 1.00 0.00 C ATOM 1193 CG GLN A 500 -11.592 -2.500 11.047 1.00 0.00 C ATOM 1194 CD GLN A 500 -11.531 -3.038 12.463 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -12.562 -3.272 13.095 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.320 -3.237 12.970 1.00 0.00 N ATOM 0 H GLN A 500 -8.683 -1.648 9.238 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.457 -0.744 8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -10.090 -1.065 11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.678 -0.375 11.285 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -12.632 -2.458 10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -11.077 -3.190 10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.493 -3.030 12.411 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.217 -3.597 13.919 1.00 0.00 H new ATOM 1205 N THR A 501 -10.664 1.621 9.939 1.00 0.00 N ATOM 1206 CA THR A 501 -10.171 2.992 9.967 1.00 0.00 C ATOM 1207 C THR A 501 -9.485 3.302 11.292 1.00 0.00 C ATOM 1208 O THR A 501 -9.882 2.795 12.341 1.00 0.00 O ATOM 1209 CB THR A 501 -11.310 4.004 9.742 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.465 3.616 10.495 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.668 4.096 8.266 1.00 0.00 C ATOM 0 H THR A 501 -11.605 1.504 10.314 1.00 0.00 H new ATOM 0 HA THR A 501 -9.448 3.084 9.156 1.00 0.00 H new ATOM 0 HB THR A 501 -10.969 4.983 10.079 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.184 4.265 10.348 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.475 4.817 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.795 4.419 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.991 3.118 7.908 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.454 4.138 11.237 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.711 4.515 12.434 1.00 0.00 C ATOM 1221 C TYR A 502 -8.660 4.868 13.576 1.00 0.00 C ATOM 1222 O TYR A 502 -8.498 4.396 14.700 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.791 5.700 12.137 1.00 0.00 C ATOM 1224 CG TYR A 502 -5.843 6.029 13.267 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.603 5.408 13.363 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.186 6.960 14.240 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -3.734 5.705 14.395 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.322 7.264 15.274 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.098 6.634 15.348 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.235 6.933 16.377 1.00 0.00 O ATOM 0 H TYR A 502 -8.114 4.567 10.377 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.106 3.661 12.739 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.212 5.483 11.240 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.401 6.577 11.919 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.314 4.681 12.618 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.145 7.454 14.187 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -2.775 5.213 14.456 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -5.604 7.992 16.021 1.00 0.00 H new ATOM 0 HH TYR A 502 -3.642 7.607 16.960 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.651 5.701 13.276 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.629 6.116 14.275 1.00 0.00 C ATOM 1242 C ALA A 503 -11.304 4.908 14.917 1.00 0.00 C ATOM 1243 O ALA A 503 -11.458 4.848 16.136 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.668 7.033 13.648 1.00 0.00 C ATOM 0 H ALA A 503 -9.798 6.102 12.350 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.103 6.664 15.057 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.391 7.335 14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.176 7.917 13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.182 6.505 12.845 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.705 3.950 14.087 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.365 2.745 14.576 1.00 0.00 C ATOM 1252 C GLU A 504 -11.494 2.024 15.600 1.00 0.00 C ATOM 1253 O GLU A 504 -12.001 1.386 16.523 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.686 1.805 13.411 1.00 0.00 C ATOM 1255 CG GLU A 504 -13.990 2.135 12.705 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.209 1.772 13.530 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.227 0.663 14.105 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.145 2.595 13.601 1.00 0.00 O ATOM 0 H GLU A 504 -11.585 3.985 13.075 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.295 3.042 15.061 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.871 1.844 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.733 0.782 13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.015 3.200 12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.028 1.604 11.754 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.181 2.131 15.431 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.238 1.488 16.338 1.00 0.00 C ATOM 1267 C TYR A 505 -9.132 2.259 17.650 1.00 0.00 C ATOM 1268 O TYR A 505 -9.544 1.774 18.704 1.00 0.00 O ATOM 1269 CB TYR A 505 -7.860 1.381 15.683 1.00 0.00 C ATOM 1270 CG TYR A 505 -6.767 0.959 16.639 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -6.762 -0.310 17.204 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -5.738 1.830 16.976 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -5.765 -0.699 18.078 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -4.736 1.449 17.848 1.00 0.00 C ATOM 1275 CZ TYR A 505 -4.755 0.184 18.397 1.00 0.00 C ATOM 1276 OH TYR A 505 -3.760 -0.200 19.266 1.00 0.00 O ATOM 0 H TYR A 505 -9.745 2.657 14.674 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.608 0.486 16.556 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -7.911 0.664 14.863 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.598 2.345 15.247 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.551 -1.005 16.956 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -5.721 2.822 16.549 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -5.777 -1.689 18.509 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -3.943 2.138 18.098 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.126 0.538 19.384 1.00 0.00 H new ATOM 1286 N VAL A 506 -8.576 3.464 17.577 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.416 4.305 18.757 1.00 0.00 C ATOM 1288 C VAL A 506 -9.734 4.453 19.509 1.00 0.00 C ATOM 1289 O VAL A 506 -9.748 4.675 20.719 1.00 0.00 O ATOM 1290 CB VAL A 506 -7.892 5.704 18.383 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -6.414 5.645 18.030 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -8.700 6.285 17.232 1.00 0.00 C ATOM 0 H VAL A 506 -8.229 3.880 16.713 1.00 0.00 H new ATOM 0 HA VAL A 506 -7.687 3.812 19.400 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.009 6.359 19.247 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.062 6.643 17.769 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -5.850 5.274 18.886 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -6.269 4.976 17.182 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.316 7.274 16.981 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -8.617 5.632 16.363 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -9.746 6.366 17.526 1.00 0.00 H new