USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=22 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 465 GLN : amide:sc= -5.84! C(o=-5.2!,f=-10!) USER MOD Set 1.2: A 467 SER OG : rot 31:sc= 0.684 USER MOD Set 2.1: A 439 HIS :FLIP no HD1:sc= -1.23 F(o=-2.4!,f=-1.2) USER MOD Set 2.2: A 477 SER OG : rot 70:sc=1.94e-05 USER MOD Single : A 442 HIS :FLIP no HE2:sc= -9.6! C(o=-11!,f=-9.6!) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 159:sc= -0.0786 (180deg=-0.428) USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 6:sc= 0.336 USER MOD Single : A 456 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -2.03! C(o=-2!,f=-10!) USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= -1.03 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) USER MOD Single : A 483 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.7!) USER MOD Single : A 485 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Single : A 489 ASN : amide:sc= -0.695 K(o=-0.69,f=-1.8!) USER MOD Single : A 490 THR OG1 : rot -12:sc= 1.12 USER MOD Single : A 491 SER OG : rot -129:sc= -0.118 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 500 GLN :FLIP amide:sc= -0.419 F(o=-1.2,f=-0.42) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.874 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 -6.112 8.546 6.352 1.00 0.00 N ATOM 208 CA HIS A 439 -5.157 7.784 5.555 1.00 0.00 C ATOM 209 C HIS A 439 -4.711 6.527 6.296 1.00 0.00 C ATOM 210 O HIS A 439 -4.498 5.478 5.688 1.00 0.00 O ATOM 211 CB HIS A 439 -3.942 8.647 5.213 1.00 0.00 C ATOM 212 CG HIS A 439 -3.465 9.489 6.356 1.00 0.00 C ATOM 213 ND1 HIS A 439 -2.642 9.194 7.390 1.00 0.00 N flip ATOM 214 CD2 HIS A 439 -3.837 10.806 6.528 1.00 0.00 C flip ATOM 215 CE1 HIS A 439 -2.532 10.326 8.159 1.00 0.00 C flip ATOM 216 NE2 HIS A 439 -3.262 11.285 7.617 1.00 0.00 N flip ATOM 0 HA HIS A 439 -5.651 7.483 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.128 8.000 4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.192 9.296 4.374 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -4.495 11.359 5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -1.944 10.418 9.060 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -3.364 12.234 7.978 1.00 0.00 H new ATOM 225 N VAL A 440 -4.570 6.641 7.613 1.00 0.00 N ATOM 226 CA VAL A 440 -4.149 5.515 8.437 1.00 0.00 C ATOM 227 C VAL A 440 -5.224 4.434 8.481 1.00 0.00 C ATOM 228 O VAL A 440 -6.401 4.722 8.701 1.00 0.00 O ATOM 229 CB VAL A 440 -3.827 5.961 9.876 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.417 4.768 10.726 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.738 7.023 9.872 1.00 0.00 C ATOM 0 H VAL A 440 -4.741 7.502 8.132 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.247 5.109 7.980 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.726 6.396 10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -3.193 5.103 11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -4.232 4.044 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.532 4.301 10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.523 7.327 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.835 6.616 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.075 7.888 9.300 1.00 0.00 H new ATOM 241 N LEU A 441 -4.812 3.189 8.271 1.00 0.00 N ATOM 242 CA LEU A 441 -5.739 2.063 8.287 1.00 0.00 C ATOM 243 C LEU A 441 -5.279 0.992 9.270 1.00 0.00 C ATOM 244 O LEU A 441 -4.116 0.586 9.263 1.00 0.00 O ATOM 245 CB LEU A 441 -5.868 1.464 6.885 1.00 0.00 C ATOM 246 CG LEU A 441 -6.134 2.456 5.752 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.826 1.822 4.405 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.574 2.944 5.798 1.00 0.00 C ATOM 0 H LEU A 441 -3.842 2.933 8.088 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.713 2.431 8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.950 0.922 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.676 0.732 6.897 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.476 3.315 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -6.021 2.542 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.778 1.523 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.458 0.945 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.745 3.649 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.249 2.095 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.761 3.438 6.752 1.00 0.00 H new ATOM 260 N HIS A 442 -6.199 0.536 10.114 1.00 0.00 N ATOM 261 CA HIS A 442 -5.888 -0.491 11.102 1.00 0.00 C ATOM 262 C HIS A 442 -6.163 -1.884 10.543 1.00 0.00 C ATOM 263 O HIS A 442 -7.317 -2.280 10.375 1.00 0.00 O ATOM 264 CB HIS A 442 -6.705 -0.269 12.375 1.00 0.00 C ATOM 265 CG HIS A 442 -6.365 -1.221 13.479 1.00 0.00 C ATOM 266 ND1 HIS A 442 -5.303 -1.262 14.318 1.00 0.00 N flip ATOM 267 CD2 HIS A 442 -7.164 -2.291 13.824 1.00 0.00 C flip ATOM 268 CE1 HIS A 442 -5.479 -2.344 15.145 1.00 0.00 C flip ATOM 269 NE2 HIS A 442 -6.610 -2.947 14.827 1.00 0.00 N flip ATOM 0 H HIS A 442 -7.166 0.861 10.134 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.828 -0.418 11.343 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.547 0.751 12.725 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.765 -0.364 12.138 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -4.518 -0.610 14.333 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -8.098 -2.552 13.348 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -4.802 -2.652 15.928 1.00 0.00 H new ATOM 278 N VAL A 443 -5.097 -2.623 10.256 1.00 0.00 N ATOM 279 CA VAL A 443 -5.224 -3.972 9.716 1.00 0.00 C ATOM 280 C VAL A 443 -4.835 -5.018 10.755 1.00 0.00 C ATOM 281 O VAL A 443 -3.682 -5.088 11.181 1.00 0.00 O ATOM 282 CB VAL A 443 -4.349 -4.159 8.462 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.584 -5.531 7.847 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.626 -3.058 7.450 1.00 0.00 C ATOM 0 H VAL A 443 -4.135 -2.311 10.388 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.271 -4.107 9.443 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.302 -4.094 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.958 -5.645 6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.331 -6.303 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.632 -5.628 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.999 -3.206 6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.675 -3.089 7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.402 -2.089 7.896 1.00 0.00 H new ATOM 294 N THR A 444 -5.805 -5.832 11.159 1.00 0.00 N ATOM 295 CA THR A 444 -5.566 -6.875 12.148 1.00 0.00 C ATOM 296 C THR A 444 -5.253 -8.208 11.477 1.00 0.00 C ATOM 297 O THR A 444 -6.142 -8.863 10.932 1.00 0.00 O ATOM 298 CB THR A 444 -6.779 -7.055 13.080 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.992 -7.010 12.320 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.804 -5.973 14.150 1.00 0.00 C ATOM 0 H THR A 444 -6.765 -5.789 10.816 1.00 0.00 H new ATOM 0 HA THR A 444 -4.707 -6.558 12.739 1.00 0.00 H new ATOM 0 HB THR A 444 -6.693 -8.026 13.569 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.758 -7.127 12.920 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.669 -6.120 14.796 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.893 -6.029 14.745 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.868 -4.994 13.676 1.00 0.00 H new ATOM 308 N PHE A 445 -3.986 -8.604 11.521 1.00 0.00 N ATOM 309 CA PHE A 445 -3.556 -9.860 10.916 1.00 0.00 C ATOM 310 C PHE A 445 -2.821 -10.729 11.933 1.00 0.00 C ATOM 311 O PHE A 445 -2.257 -10.241 12.912 1.00 0.00 O ATOM 312 CB PHE A 445 -2.651 -9.588 9.713 1.00 0.00 C ATOM 313 CG PHE A 445 -1.557 -8.599 9.997 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.476 -8.951 10.790 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.608 -7.319 9.470 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.532 -8.043 11.054 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.602 -6.406 9.730 1.00 0.00 C ATOM 318 CZ PHE A 445 0.469 -6.769 10.522 1.00 0.00 C ATOM 0 H PHE A 445 -3.239 -8.074 11.969 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.444 -10.395 10.580 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.205 -10.527 9.385 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.259 -9.218 8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.421 -9.946 11.206 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.443 -7.031 8.849 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.368 -8.329 11.675 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.654 -5.411 9.314 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.256 -6.058 10.726 1.00 0.00 H new ATOM 328 N PRO A 446 -2.828 -12.049 11.696 1.00 0.00 N ATOM 329 CA PRO A 446 -2.168 -13.015 12.579 1.00 0.00 C ATOM 330 C PRO A 446 -0.647 -12.913 12.516 1.00 0.00 C ATOM 331 O PRO A 446 -0.080 -12.577 11.476 1.00 0.00 O ATOM 332 CB PRO A 446 -2.635 -14.368 12.037 1.00 0.00 C ATOM 333 CG PRO A 446 -2.963 -14.111 10.607 1.00 0.00 C ATOM 334 CD PRO A 446 -3.481 -12.701 10.548 1.00 0.00 C ATOM 0 HA PRO A 446 -2.421 -12.849 13.626 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.856 -15.124 12.135 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.504 -14.734 12.583 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.081 -14.230 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.711 -14.817 10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.219 -12.216 9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.567 -12.668 10.632 1.00 0.00 H new ATOM 342 N LYS A 447 0.008 -13.205 13.634 1.00 0.00 N ATOM 343 CA LYS A 447 1.463 -13.148 13.706 1.00 0.00 C ATOM 344 C LYS A 447 2.096 -13.916 12.550 1.00 0.00 C ATOM 345 O LYS A 447 3.115 -13.499 12.001 1.00 0.00 O ATOM 346 CB LYS A 447 1.951 -13.720 15.040 1.00 0.00 C ATOM 347 CG LYS A 447 1.555 -15.170 15.261 1.00 0.00 C ATOM 348 CD LYS A 447 2.609 -16.123 14.722 1.00 0.00 C ATOM 349 CE LYS A 447 3.724 -16.349 15.731 1.00 0.00 C ATOM 350 NZ LYS A 447 4.926 -16.961 15.101 1.00 0.00 N ATOM 0 H LYS A 447 -0.446 -13.484 14.504 1.00 0.00 H new ATOM 0 HA LYS A 447 1.765 -12.103 13.633 1.00 0.00 H new ATOM 0 HB2 LYS A 447 3.037 -13.638 15.086 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.551 -13.115 15.853 1.00 0.00 H new ATOM 0 HG2 LYS A 447 1.410 -15.351 16.326 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.601 -15.366 14.772 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.145 -17.077 14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 447 3.028 -15.720 13.800 1.00 0.00 H new ATOM 0 HE2 LYS A 447 3.998 -15.398 16.189 1.00 0.00 H new ATOM 0 HE3 LYS A 447 3.364 -16.996 16.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 5.663 -17.099 15.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 4.671 -17.880 14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 5.285 -16.332 14.354 1.00 0.00 H new ATOM 364 N GLU A 448 1.483 -15.038 12.185 1.00 0.00 N ATOM 365 CA GLU A 448 1.988 -15.862 11.094 1.00 0.00 C ATOM 366 C GLU A 448 2.372 -15.001 9.894 1.00 0.00 C ATOM 367 O GLU A 448 3.166 -15.414 9.049 1.00 0.00 O ATOM 368 CB GLU A 448 0.938 -16.896 10.678 1.00 0.00 C ATOM 369 CG GLU A 448 -0.043 -16.382 9.637 1.00 0.00 C ATOM 370 CD GLU A 448 -0.943 -17.475 9.095 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.409 -18.311 9.896 1.00 0.00 O ATOM 372 OE2 GLU A 448 -1.180 -17.494 7.869 1.00 0.00 O ATOM 0 H GLU A 448 0.637 -15.396 12.628 1.00 0.00 H new ATOM 0 HA GLU A 448 2.879 -16.381 11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.444 -17.777 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.384 -17.215 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.657 -15.596 10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.510 -15.930 8.814 1.00 0.00 H new ATOM 379 N TRP A 449 1.804 -13.803 9.828 1.00 0.00 N ATOM 380 CA TRP A 449 2.086 -12.883 8.732 1.00 0.00 C ATOM 381 C TRP A 449 3.503 -12.330 8.836 1.00 0.00 C ATOM 382 O TRP A 449 4.266 -12.714 9.723 1.00 0.00 O ATOM 383 CB TRP A 449 1.076 -11.734 8.730 1.00 0.00 C ATOM 384 CG TRP A 449 -0.238 -12.098 8.108 1.00 0.00 C ATOM 385 CD1 TRP A 449 -0.880 -13.300 8.195 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.068 -11.255 7.302 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.060 -13.255 7.492 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.198 -12.011 6.936 1.00 0.00 C ATOM 389 CE3 TRP A 449 -0.967 -9.934 6.857 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.218 -11.489 6.144 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -1.979 -9.418 6.071 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.093 -10.193 5.722 1.00 0.00 C ATOM 0 H TRP A 449 1.145 -13.446 10.520 1.00 0.00 H new ATOM 0 HA TRP A 449 1.999 -13.435 7.796 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.906 -11.408 9.756 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.502 -10.887 8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.514 -14.160 8.737 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.725 -14.023 7.399 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.114 -9.328 7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.077 -12.085 5.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.910 -8.399 5.719 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.868 -9.759 5.108 1.00 0.00 H new ATOM 403 N LYS A 450 3.850 -11.427 7.925 1.00 0.00 N ATOM 404 CA LYS A 450 5.176 -10.820 7.915 1.00 0.00 C ATOM 405 C LYS A 450 5.192 -9.563 7.052 1.00 0.00 C ATOM 406 O LYS A 450 4.266 -9.316 6.279 1.00 0.00 O ATOM 407 CB LYS A 450 6.213 -11.820 7.399 1.00 0.00 C ATOM 408 CG LYS A 450 6.567 -12.903 8.403 1.00 0.00 C ATOM 409 CD LYS A 450 7.902 -13.550 8.078 1.00 0.00 C ATOM 410 CE LYS A 450 9.067 -12.687 8.539 1.00 0.00 C ATOM 411 NZ LYS A 450 9.108 -12.557 10.022 1.00 0.00 N ATOM 0 H LYS A 450 3.231 -11.099 7.184 1.00 0.00 H new ATOM 0 HA LYS A 450 5.428 -10.540 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.833 -12.288 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.120 -11.281 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.604 -12.474 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.786 -13.663 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 450 7.960 -14.527 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 450 7.975 -13.717 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 450 10.003 -13.121 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 450 8.986 -11.697 8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 10.066 -12.285 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 8.431 -11.828 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 8.855 -13.467 10.457 1.00 0.00 H new ATOM 425 N THR A 451 6.251 -8.771 7.187 1.00 0.00 N ATOM 426 CA THR A 451 6.388 -7.539 6.420 1.00 0.00 C ATOM 427 C THR A 451 6.069 -7.771 4.947 1.00 0.00 C ATOM 428 O THR A 451 5.179 -7.132 4.387 1.00 0.00 O ATOM 429 CB THR A 451 7.809 -6.957 6.540 1.00 0.00 C ATOM 430 OG1 THR A 451 8.230 -6.972 7.909 1.00 0.00 O ATOM 431 CG2 THR A 451 7.858 -5.535 6.004 1.00 0.00 C ATOM 0 H THR A 451 7.027 -8.961 7.821 1.00 0.00 H new ATOM 0 HA THR A 451 5.676 -6.827 6.836 1.00 0.00 H new ATOM 0 HB THR A 451 8.483 -7.575 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.135 -6.602 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.871 -5.145 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.565 -5.532 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.173 -4.908 6.574 1.00 0.00 H new ATOM 439 N SER A 452 6.800 -8.691 4.326 1.00 0.00 N ATOM 440 CA SER A 452 6.597 -9.005 2.916 1.00 0.00 C ATOM 441 C SER A 452 5.114 -9.193 2.610 1.00 0.00 C ATOM 442 O SER A 452 4.656 -8.902 1.505 1.00 0.00 O ATOM 443 CB SER A 452 7.372 -10.268 2.536 1.00 0.00 C ATOM 444 OG SER A 452 8.770 -10.042 2.585 1.00 0.00 O ATOM 0 H SER A 452 7.538 -9.232 4.777 1.00 0.00 H new ATOM 0 HA SER A 452 6.969 -8.168 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.107 -11.079 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 452 7.087 -10.586 1.533 1.00 0.00 H new ATOM 0 HG SER A 452 9.243 -10.864 2.340 1.00 0.00 H new ATOM 450 N ASP A 453 4.370 -9.681 3.597 1.00 0.00 N ATOM 451 CA ASP A 453 2.939 -9.907 3.435 1.00 0.00 C ATOM 452 C ASP A 453 2.181 -8.584 3.388 1.00 0.00 C ATOM 453 O ASP A 453 1.315 -8.382 2.536 1.00 0.00 O ATOM 454 CB ASP A 453 2.406 -10.774 4.576 1.00 0.00 C ATOM 455 CG ASP A 453 1.119 -11.487 4.210 1.00 0.00 C ATOM 456 OD1 ASP A 453 0.453 -11.052 3.246 1.00 0.00 O ATOM 457 OD2 ASP A 453 0.777 -12.479 4.886 1.00 0.00 O ATOM 0 H ASP A 453 4.734 -9.927 4.517 1.00 0.00 H new ATOM 0 HA ASP A 453 2.783 -10.427 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 453 3.160 -11.511 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 453 2.235 -10.150 5.453 1.00 0.00 H new ATOM 462 N LEU A 454 2.512 -7.686 4.309 1.00 0.00 N ATOM 463 CA LEU A 454 1.863 -6.381 4.374 1.00 0.00 C ATOM 464 C LEU A 454 2.105 -5.588 3.094 1.00 0.00 C ATOM 465 O LEU A 454 1.164 -5.239 2.381 1.00 0.00 O ATOM 466 CB LEU A 454 2.376 -5.594 5.581 1.00 0.00 C ATOM 467 CG LEU A 454 1.622 -5.811 6.894 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.180 -5.346 6.765 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.678 -7.275 7.304 1.00 0.00 C ATOM 0 H LEU A 454 3.226 -7.837 5.021 1.00 0.00 H new ATOM 0 HA LEU A 454 0.790 -6.541 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.423 -5.852 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.343 -4.532 5.338 1.00 0.00 H new ATOM 0 HG LEU A 454 2.105 -5.218 7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.340 -5.508 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.161 -4.285 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.315 -5.911 5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.137 -7.412 8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.221 -7.888 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 454 2.717 -7.576 7.439 1.00 0.00 H new ATOM 481 N TYR A 455 3.372 -5.308 2.809 1.00 0.00 N ATOM 482 CA TYR A 455 3.738 -4.556 1.615 1.00 0.00 C ATOM 483 C TYR A 455 3.121 -5.180 0.367 1.00 0.00 C ATOM 484 O TYR A 455 2.553 -4.482 -0.473 1.00 0.00 O ATOM 485 CB TYR A 455 5.260 -4.497 1.471 1.00 0.00 C ATOM 486 CG TYR A 455 5.887 -3.305 2.158 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.426 -2.017 1.917 1.00 0.00 C ATOM 488 CD2 TYR A 455 6.942 -3.467 3.047 1.00 0.00 C ATOM 489 CE1 TYR A 455 5.997 -0.925 2.542 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.518 -2.382 3.678 1.00 0.00 C ATOM 491 CZ TYR A 455 7.042 -1.113 3.422 1.00 0.00 C ATOM 492 OH TYR A 455 7.614 -0.029 4.047 1.00 0.00 O ATOM 0 H TYR A 455 4.162 -5.590 3.388 1.00 0.00 H new ATOM 0 HA TYR A 455 3.350 -3.543 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.691 -5.410 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.516 -4.471 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.607 -1.867 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.318 -4.459 3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.627 0.070 2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.336 -2.526 4.368 1.00 0.00 H new ATOM 0 HH TYR A 455 7.106 0.780 3.828 1.00 0.00 H new ATOM 502 N GLN A 456 3.238 -6.499 0.254 1.00 0.00 N ATOM 503 CA GLN A 456 2.692 -7.219 -0.891 1.00 0.00 C ATOM 504 C GLN A 456 1.202 -6.937 -1.051 1.00 0.00 C ATOM 505 O GLN A 456 0.749 -6.521 -2.118 1.00 0.00 O ATOM 506 CB GLN A 456 2.924 -8.722 -0.733 1.00 0.00 C ATOM 507 CG GLN A 456 4.306 -9.174 -1.177 1.00 0.00 C ATOM 508 CD GLN A 456 4.351 -9.558 -2.643 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.797 -8.865 -3.496 1.00 0.00 O ATOM 510 NE2 GLN A 456 5.015 -10.668 -2.944 1.00 0.00 N ATOM 0 H GLN A 456 3.706 -7.091 0.941 1.00 0.00 H new ATOM 0 HA GLN A 456 3.207 -6.871 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.780 -8.996 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.172 -9.260 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 456 5.023 -8.374 -0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.617 -10.026 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 456 5.460 -11.213 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 456 5.080 -10.976 -3.914 1.00 0.00 H new ATOM 519 N LEU A 457 0.444 -7.165 0.016 1.00 0.00 N ATOM 520 CA LEU A 457 -0.997 -6.936 -0.006 1.00 0.00 C ATOM 521 C LEU A 457 -1.315 -5.509 -0.442 1.00 0.00 C ATOM 522 O LEU A 457 -2.117 -5.290 -1.349 1.00 0.00 O ATOM 523 CB LEU A 457 -1.597 -7.205 1.375 1.00 0.00 C ATOM 524 CG LEU A 457 -3.124 -7.254 1.445 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.630 -8.648 1.110 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.608 -6.826 2.823 1.00 0.00 C ATOM 0 H LEU A 457 0.803 -7.508 0.907 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.438 -7.624 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -1.206 -8.154 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -1.246 -6.432 2.058 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.525 -6.558 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.719 -8.663 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.314 -8.917 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.221 -9.365 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.697 -6.867 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -3.197 -7.497 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.277 -5.807 3.025 1.00 0.00 H new ATOM 538 N PHE A 458 -0.679 -4.541 0.210 1.00 0.00 N ATOM 539 CA PHE A 458 -0.892 -3.135 -0.111 1.00 0.00 C ATOM 540 C PHE A 458 -0.137 -2.745 -1.378 1.00 0.00 C ATOM 541 O PHE A 458 -0.319 -1.650 -1.910 1.00 0.00 O ATOM 542 CB PHE A 458 -0.445 -2.250 1.055 1.00 0.00 C ATOM 543 CG PHE A 458 -1.477 -2.120 2.139 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.458 -1.145 2.066 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.465 -2.972 3.231 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.410 -1.022 3.061 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.414 -2.855 4.229 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.386 -1.878 4.145 1.00 0.00 C ATOM 0 H PHE A 458 -0.012 -4.705 0.964 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.958 -2.986 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.470 -2.661 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.202 -1.258 0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.480 -0.472 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.705 -3.736 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.171 -0.259 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.395 -3.527 5.074 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.126 -1.783 4.926 1.00 0.00 H new ATOM 558 N SER A 459 0.711 -3.650 -1.856 1.00 0.00 N ATOM 559 CA SER A 459 1.497 -3.400 -3.059 1.00 0.00 C ATOM 560 C SER A 459 0.639 -2.763 -4.147 1.00 0.00 C ATOM 561 O SER A 459 1.114 -1.934 -4.922 1.00 0.00 O ATOM 562 CB SER A 459 2.108 -4.705 -3.574 1.00 0.00 C ATOM 563 OG SER A 459 3.196 -4.449 -4.446 1.00 0.00 O ATOM 0 H SER A 459 0.871 -4.562 -1.429 1.00 0.00 H new ATOM 0 HA SER A 459 2.299 -2.708 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.447 -5.309 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.347 -5.285 -4.097 1.00 0.00 H new ATOM 0 HG SER A 459 3.570 -5.298 -4.760 1.00 0.00 H new ATOM 569 N ALA A 460 -0.629 -3.158 -4.198 1.00 0.00 N ATOM 570 CA ALA A 460 -1.556 -2.625 -5.189 1.00 0.00 C ATOM 571 C ALA A 460 -1.342 -1.128 -5.392 1.00 0.00 C ATOM 572 O ALA A 460 -1.350 -0.637 -6.521 1.00 0.00 O ATOM 573 CB ALA A 460 -2.993 -2.902 -4.772 1.00 0.00 C ATOM 0 H ALA A 460 -1.038 -3.845 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.362 -3.126 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.674 -2.498 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.146 -3.978 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.190 -2.429 -3.810 1.00 0.00 H new ATOM 579 N PHE A 461 -1.152 -0.408 -4.291 1.00 0.00 N ATOM 580 CA PHE A 461 -0.937 1.033 -4.349 1.00 0.00 C ATOM 581 C PHE A 461 0.525 1.354 -4.643 1.00 0.00 C ATOM 582 O PHE A 461 0.836 2.075 -5.590 1.00 0.00 O ATOM 583 CB PHE A 461 -1.360 1.686 -3.031 1.00 0.00 C ATOM 584 CG PHE A 461 -2.750 1.318 -2.598 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.839 2.073 -3.004 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.968 0.217 -1.786 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.120 1.737 -2.608 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.247 -0.124 -1.387 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.324 0.638 -1.797 1.00 0.00 C ATOM 0 H PHE A 461 -1.143 -0.799 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.548 1.434 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.657 1.398 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.295 2.769 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.685 2.934 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -2.130 -0.381 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.960 2.333 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.404 -0.986 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.324 0.375 -1.484 1.00 0.00 H new ATOM 599 N GLY A 462 1.420 0.814 -3.821 1.00 0.00 N ATOM 600 CA GLY A 462 2.839 1.054 -4.008 1.00 0.00 C ATOM 601 C GLY A 462 3.560 1.319 -2.701 1.00 0.00 C ATOM 602 O GLY A 462 3.126 0.866 -1.643 1.00 0.00 O ATOM 0 H GLY A 462 1.188 0.215 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.289 0.191 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.975 1.906 -4.674 1.00 0.00 H new ATOM 606 N ASN A 463 4.665 2.053 -2.775 1.00 0.00 N ATOM 607 CA ASN A 463 5.449 2.376 -1.588 1.00 0.00 C ATOM 608 C ASN A 463 4.557 2.932 -0.482 1.00 0.00 C ATOM 609 O ASN A 463 3.821 3.896 -0.691 1.00 0.00 O ATOM 610 CB ASN A 463 6.543 3.387 -1.934 1.00 0.00 C ATOM 611 CG ASN A 463 7.368 3.783 -0.724 1.00 0.00 C ATOM 612 OD1 ASN A 463 6.906 3.690 0.413 1.00 0.00 O ATOM 613 ND2 ASN A 463 8.596 4.227 -0.965 1.00 0.00 N ATOM 0 H ASN A 463 5.038 2.435 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 463 5.913 1.458 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 463 7.199 2.963 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.087 4.278 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 463 9.198 4.508 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 463 8.937 4.287 -1.924 1.00 0.00 H new ATOM 620 N ILE A 464 4.630 2.317 0.694 1.00 0.00 N ATOM 621 CA ILE A 464 3.831 2.752 1.833 1.00 0.00 C ATOM 622 C ILE A 464 4.638 2.690 3.126 1.00 0.00 C ATOM 623 O ILE A 464 5.779 2.229 3.135 1.00 0.00 O ATOM 624 CB ILE A 464 2.562 1.894 1.991 1.00 0.00 C ATOM 625 CG1 ILE A 464 2.934 0.463 2.384 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.754 1.902 0.703 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.792 -0.309 3.007 1.00 0.00 C ATOM 0 H ILE A 464 5.234 1.517 0.883 1.00 0.00 H new ATOM 0 HA ILE A 464 3.540 3.784 1.639 1.00 0.00 H new ATOM 0 HB ILE A 464 1.948 2.321 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.282 -0.070 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.767 0.493 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.860 1.291 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.463 2.925 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.358 1.496 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.128 -1.315 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.459 0.201 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 464 0.965 -0.370 2.299 1.00 0.00 H new ATOM 639 N GLN A 465 4.036 3.155 4.215 1.00 0.00 N ATOM 640 CA GLN A 465 4.698 3.152 5.514 1.00 0.00 C ATOM 641 C GLN A 465 3.978 2.227 6.490 1.00 0.00 C ATOM 642 O GLN A 465 2.930 2.578 7.034 1.00 0.00 O ATOM 643 CB GLN A 465 4.757 4.569 6.085 1.00 0.00 C ATOM 644 CG GLN A 465 5.392 4.645 7.464 1.00 0.00 C ATOM 645 CD GLN A 465 4.524 4.023 8.541 1.00 0.00 C ATOM 646 OE1 GLN A 465 4.850 2.968 9.085 1.00 0.00 O ATOM 647 NE2 GLN A 465 3.411 4.676 8.854 1.00 0.00 N ATOM 0 H GLN A 465 3.091 3.539 4.224 1.00 0.00 H new ATOM 0 HA GLN A 465 5.714 2.783 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.319 5.204 5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.746 4.973 6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 465 6.357 4.139 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 465 5.584 5.688 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 465 3.180 5.548 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 465 2.787 4.306 9.571 1.00 0.00 H new ATOM 656 N ILE A 466 4.545 1.045 6.706 1.00 0.00 N ATOM 657 CA ILE A 466 3.957 0.071 7.617 1.00 0.00 C ATOM 658 C ILE A 466 4.447 0.287 9.045 1.00 0.00 C ATOM 659 O ILE A 466 5.642 0.185 9.323 1.00 0.00 O ATOM 660 CB ILE A 466 4.283 -1.371 7.186 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.841 -1.607 5.741 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.613 -2.367 8.121 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.492 -2.812 5.099 1.00 0.00 C ATOM 0 H ILE A 466 5.411 0.739 6.262 1.00 0.00 H new ATOM 0 HA ILE A 466 2.877 0.217 7.581 1.00 0.00 H new ATOM 0 HB ILE A 466 5.362 -1.517 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.759 -1.733 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.072 -0.721 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.853 -3.382 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 466 3.973 -2.210 9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.533 -2.223 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.132 -2.918 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.574 -2.680 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.240 -3.708 5.667 1.00 0.00 H new ATOM 675 N SER A 467 3.517 0.584 9.946 1.00 0.00 N ATOM 676 CA SER A 467 3.854 0.816 11.345 1.00 0.00 C ATOM 677 C SER A 467 3.603 -0.437 12.180 1.00 0.00 C ATOM 678 O SER A 467 2.474 -0.920 12.270 1.00 0.00 O ATOM 679 CB SER A 467 3.039 1.985 11.902 1.00 0.00 C ATOM 680 OG SER A 467 3.721 3.214 11.721 1.00 0.00 O ATOM 0 H SER A 467 2.523 0.670 9.732 1.00 0.00 H new ATOM 0 HA SER A 467 4.914 1.063 11.401 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.070 2.027 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 467 2.846 1.825 12.963 1.00 0.00 H new ATOM 0 HG SER A 467 4.263 3.170 10.906 1.00 0.00 H new ATOM 686 N TRP A 468 4.663 -0.957 12.787 1.00 0.00 N ATOM 687 CA TRP A 468 4.559 -2.154 13.615 1.00 0.00 C ATOM 688 C TRP A 468 4.245 -1.789 15.062 1.00 0.00 C ATOM 689 O TRP A 468 5.101 -1.272 15.781 1.00 0.00 O ATOM 690 CB TRP A 468 5.857 -2.959 13.549 1.00 0.00 C ATOM 691 CG TRP A 468 6.087 -3.607 12.217 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.702 -3.052 11.131 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.704 -4.931 11.831 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.724 -3.952 10.093 1.00 0.00 N ATOM 695 CE2 TRP A 468 6.118 -5.112 10.497 1.00 0.00 C ATOM 696 CE3 TRP A 468 5.053 -5.982 12.482 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.901 -6.301 9.805 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.838 -7.161 11.794 1.00 0.00 C ATOM 699 CH2 TRP A 468 5.261 -7.313 10.467 1.00 0.00 C ATOM 0 H TRP A 468 5.604 -0.569 12.722 1.00 0.00 H new ATOM 0 HA TRP A 468 3.742 -2.763 13.228 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.696 -2.301 13.775 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.839 -3.728 14.321 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.111 -2.053 11.094 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.126 -3.784 9.171 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.724 -5.875 13.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.226 -6.420 8.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 4.335 -7.979 12.288 1.00 0.00 H new ATOM 0 HH2 TRP A 468 5.078 -8.247 9.957 1.00 0.00 H new ATOM 710 N ILE A 469 3.015 -2.062 15.483 1.00 0.00 N ATOM 711 CA ILE A 469 2.590 -1.763 16.845 1.00 0.00 C ATOM 712 C ILE A 469 2.832 -2.952 17.769 1.00 0.00 C ATOM 713 O ILE A 469 3.516 -2.832 18.785 1.00 0.00 O ATOM 714 CB ILE A 469 1.099 -1.380 16.899 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.760 -0.403 15.772 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.756 -0.777 18.252 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.665 -0.518 15.280 1.00 0.00 C ATOM 0 H ILE A 469 2.295 -2.490 14.901 1.00 0.00 H new ATOM 0 HA ILE A 469 3.186 -0.915 17.183 1.00 0.00 H new ATOM 0 HB ILE A 469 0.502 -2.282 16.764 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.934 0.615 16.120 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.439 -0.575 14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.301 -0.511 18.275 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.965 -1.503 19.037 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.358 0.117 18.415 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.834 0.205 14.482 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.839 -1.525 14.901 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.351 -0.317 16.103 1.00 0.00 H new ATOM 729 N ASP A 470 2.267 -4.099 17.408 1.00 0.00 N ATOM 730 CA ASP A 470 2.423 -5.312 18.203 1.00 0.00 C ATOM 731 C ASP A 470 2.647 -6.525 17.305 1.00 0.00 C ATOM 732 O ASP A 470 2.770 -6.394 16.088 1.00 0.00 O ATOM 733 CB ASP A 470 1.192 -5.533 19.082 1.00 0.00 C ATOM 734 CG ASP A 470 1.523 -6.260 20.371 1.00 0.00 C ATOM 735 OD1 ASP A 470 2.688 -6.180 20.815 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.618 -6.909 20.935 1.00 0.00 O ATOM 0 H ASP A 470 1.697 -4.214 16.570 1.00 0.00 H new ATOM 0 HA ASP A 470 3.298 -5.189 18.841 1.00 0.00 H new ATOM 0 HB2 ASP A 470 0.740 -4.570 19.318 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.450 -6.106 18.526 1.00 0.00 H new ATOM 741 N ASP A 471 2.701 -7.704 17.916 1.00 0.00 N ATOM 742 CA ASP A 471 2.910 -8.941 17.172 1.00 0.00 C ATOM 743 C ASP A 471 1.636 -9.359 16.444 1.00 0.00 C ATOM 744 O ASP A 471 1.670 -10.195 15.540 1.00 0.00 O ATOM 745 CB ASP A 471 3.364 -10.057 18.114 1.00 0.00 C ATOM 746 CG ASP A 471 2.199 -10.837 18.691 1.00 0.00 C ATOM 747 OD1 ASP A 471 1.369 -10.228 19.399 1.00 0.00 O ATOM 748 OD2 ASP A 471 2.117 -12.056 18.434 1.00 0.00 O ATOM 0 H ASP A 471 2.603 -7.829 18.924 1.00 0.00 H new ATOM 0 HA ASP A 471 3.689 -8.763 16.430 1.00 0.00 H new ATOM 0 HB2 ASP A 471 4.022 -10.738 17.575 1.00 0.00 H new ATOM 0 HB3 ASP A 471 3.948 -9.627 18.928 1.00 0.00 H new ATOM 753 N THR A 472 0.512 -8.773 16.845 1.00 0.00 N ATOM 754 CA THR A 472 -0.773 -9.087 16.233 1.00 0.00 C ATOM 755 C THR A 472 -1.538 -7.817 15.878 1.00 0.00 C ATOM 756 O THR A 472 -2.747 -7.852 15.649 1.00 0.00 O ATOM 757 CB THR A 472 -1.643 -9.953 17.164 1.00 0.00 C ATOM 758 OG1 THR A 472 -1.926 -9.240 18.373 1.00 0.00 O ATOM 759 CG2 THR A 472 -0.943 -11.263 17.494 1.00 0.00 C ATOM 0 H THR A 472 0.466 -8.079 17.591 1.00 0.00 H new ATOM 0 HA THR A 472 -0.560 -9.647 15.322 1.00 0.00 H new ATOM 0 HB THR A 472 -2.577 -10.178 16.648 1.00 0.00 H new ATOM 0 HG1 THR A 472 -2.481 -9.796 18.959 1.00 0.00 H new ATOM 0 HG21 THR A 472 -1.576 -11.858 18.152 1.00 0.00 H new ATOM 0 HG22 THR A 472 -0.755 -11.817 16.574 1.00 0.00 H new ATOM 0 HG23 THR A 472 0.004 -11.054 17.992 1.00 0.00 H new ATOM 767 N SER A 473 -0.825 -6.695 15.834 1.00 0.00 N ATOM 768 CA SER A 473 -1.438 -5.413 15.510 1.00 0.00 C ATOM 769 C SER A 473 -0.468 -4.528 14.733 1.00 0.00 C ATOM 770 O SER A 473 0.672 -4.324 15.149 1.00 0.00 O ATOM 771 CB SER A 473 -1.885 -4.700 16.788 1.00 0.00 C ATOM 772 OG SER A 473 -0.809 -3.992 17.380 1.00 0.00 O ATOM 0 H SER A 473 0.177 -6.649 16.019 1.00 0.00 H new ATOM 0 HA SER A 473 -2.310 -5.603 14.884 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.696 -4.009 16.558 1.00 0.00 H new ATOM 0 HB3 SER A 473 -2.278 -5.429 17.496 1.00 0.00 H new ATOM 0 HG SER A 473 -1.121 -3.544 18.194 1.00 0.00 H new ATOM 778 N ALA A 474 -0.930 -4.005 13.602 1.00 0.00 N ATOM 779 CA ALA A 474 -0.105 -3.141 12.767 1.00 0.00 C ATOM 780 C ALA A 474 -0.925 -1.994 12.186 1.00 0.00 C ATOM 781 O ALA A 474 -2.148 -1.961 12.322 1.00 0.00 O ATOM 782 CB ALA A 474 0.543 -3.947 11.651 1.00 0.00 C ATOM 0 H ALA A 474 -1.871 -4.165 13.243 1.00 0.00 H new ATOM 0 HA ALA A 474 0.678 -2.713 13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 474 1.156 -3.289 11.035 1.00 0.00 H new ATOM 0 HB2 ALA A 474 1.169 -4.728 12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.232 -4.403 11.034 1.00 0.00 H new ATOM 788 N PHE A 475 -0.243 -1.054 11.539 1.00 0.00 N ATOM 789 CA PHE A 475 -0.909 0.096 10.939 1.00 0.00 C ATOM 790 C PHE A 475 -0.480 0.275 9.486 1.00 0.00 C ATOM 791 O PHE A 475 0.608 -0.143 9.091 1.00 0.00 O ATOM 792 CB PHE A 475 -0.596 1.365 11.735 1.00 0.00 C ATOM 793 CG PHE A 475 -1.588 1.648 12.826 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.950 1.553 12.585 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.160 2.010 14.093 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.865 1.813 13.587 1.00 0.00 C ATOM 797 CE2 PHE A 475 -2.071 2.270 15.099 1.00 0.00 C ATOM 798 CZ PHE A 475 -3.425 2.172 14.846 1.00 0.00 C ATOM 0 H PHE A 475 0.770 -1.066 11.417 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.984 -0.084 10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.398 1.273 12.173 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.566 2.214 11.053 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -3.300 1.272 11.602 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -0.102 2.090 14.297 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.923 1.736 13.386 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.724 2.550 16.083 1.00 0.00 H new ATOM 0 HZ PHE A 475 -4.138 2.376 15.631 1.00 0.00 H new ATOM 808 N VAL A 476 -1.345 0.900 8.693 1.00 0.00 N ATOM 809 CA VAL A 476 -1.057 1.135 7.283 1.00 0.00 C ATOM 810 C VAL A 476 -1.466 2.544 6.866 1.00 0.00 C ATOM 811 O VAL A 476 -2.654 2.848 6.751 1.00 0.00 O ATOM 812 CB VAL A 476 -1.782 0.115 6.384 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.465 0.374 4.919 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.402 -1.304 6.777 1.00 0.00 C ATOM 0 H VAL A 476 -2.251 1.252 9.003 1.00 0.00 H new ATOM 0 HA VAL A 476 0.019 1.019 7.156 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.857 0.232 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.986 -0.356 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.791 1.378 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.391 0.286 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.923 -2.012 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.326 -1.436 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.685 -1.482 7.814 1.00 0.00 H new ATOM 824 N SER A 477 -0.475 3.400 6.640 1.00 0.00 N ATOM 825 CA SER A 477 -0.731 4.778 6.239 1.00 0.00 C ATOM 826 C SER A 477 -0.567 4.944 4.732 1.00 0.00 C ATOM 827 O SER A 477 0.343 4.375 4.128 1.00 0.00 O ATOM 828 CB SER A 477 0.214 5.730 6.975 1.00 0.00 C ATOM 829 OG SER A 477 -0.093 7.081 6.682 1.00 0.00 O ATOM 0 H SER A 477 0.513 3.163 6.728 1.00 0.00 H new ATOM 0 HA SER A 477 -1.760 5.023 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.140 5.562 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.244 5.518 6.689 1.00 0.00 H new ATOM 0 HG SER A 477 -0.947 7.320 7.098 1.00 0.00 H new ATOM 835 N LEU A 478 -1.454 5.729 4.129 1.00 0.00 N ATOM 836 CA LEU A 478 -1.409 5.972 2.692 1.00 0.00 C ATOM 837 C LEU A 478 -1.069 7.429 2.396 1.00 0.00 C ATOM 838 O LEU A 478 -0.973 8.252 3.307 1.00 0.00 O ATOM 839 CB LEU A 478 -2.749 5.609 2.051 1.00 0.00 C ATOM 840 CG LEU A 478 -3.137 4.130 2.097 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.610 3.953 1.762 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.270 3.322 1.142 1.00 0.00 C ATOM 0 H LEU A 478 -2.213 6.208 4.614 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.627 5.342 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.532 6.185 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.728 5.926 1.008 1.00 0.00 H new ATOM 0 HG LEU A 478 -2.970 3.762 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.867 2.894 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.216 4.500 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.804 4.338 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.560 2.272 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.406 3.692 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.223 3.422 1.428 1.00 0.00 H new ATOM 854 N SER A 479 -0.890 7.742 1.117 1.00 0.00 N ATOM 855 CA SER A 479 -0.560 9.100 0.701 1.00 0.00 C ATOM 856 C SER A 479 -1.819 9.954 0.583 1.00 0.00 C ATOM 857 O SER A 479 -1.853 11.094 1.045 1.00 0.00 O ATOM 858 CB SER A 479 0.184 9.080 -0.636 1.00 0.00 C ATOM 859 OG SER A 479 0.441 10.395 -1.096 1.00 0.00 O ATOM 0 H SER A 479 -0.968 7.073 0.351 1.00 0.00 H new ATOM 0 HA SER A 479 0.086 9.539 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 479 1.124 8.540 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.407 8.541 -1.377 1.00 0.00 H new ATOM 0 HG SER A 479 0.918 10.355 -1.951 1.00 0.00 H new ATOM 865 N GLN A 480 -2.851 9.392 -0.038 1.00 0.00 N ATOM 866 CA GLN A 480 -4.112 10.101 -0.218 1.00 0.00 C ATOM 867 C GLN A 480 -5.243 9.396 0.523 1.00 0.00 C ATOM 868 O GLN A 480 -5.205 8.189 0.759 1.00 0.00 O ATOM 869 CB GLN A 480 -4.452 10.213 -1.705 1.00 0.00 C ATOM 870 CG GLN A 480 -3.749 11.364 -2.405 1.00 0.00 C ATOM 871 CD GLN A 480 -4.207 11.543 -3.839 1.00 0.00 C ATOM 872 OE1 GLN A 480 -5.387 11.781 -4.101 1.00 0.00 O ATOM 873 NE2 GLN A 480 -3.275 11.428 -4.778 1.00 0.00 N ATOM 0 H GLN A 480 -2.839 8.448 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 480 -3.999 11.103 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.186 9.280 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.530 10.336 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -3.931 12.286 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -2.673 11.190 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -2.309 11.230 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -3.525 11.538 -5.761 1.00 0.00 H new ATOM 882 N PRO A 481 -6.275 10.166 0.899 1.00 0.00 N ATOM 883 CA PRO A 481 -7.438 9.636 1.618 1.00 0.00 C ATOM 884 C PRO A 481 -8.301 8.737 0.741 1.00 0.00 C ATOM 885 O PRO A 481 -8.816 7.717 1.200 1.00 0.00 O ATOM 886 CB PRO A 481 -8.211 10.895 2.018 1.00 0.00 C ATOM 887 CG PRO A 481 -7.814 11.920 1.012 1.00 0.00 C ATOM 888 CD PRO A 481 -6.387 11.613 0.650 1.00 0.00 C ATOM 0 HA PRO A 481 -7.146 9.012 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.287 10.721 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -7.955 11.212 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.458 11.875 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -7.905 12.926 1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.175 11.859 -0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.686 12.181 1.262 1.00 0.00 H new ATOM 896 N GLU A 482 -8.456 9.121 -0.522 1.00 0.00 N ATOM 897 CA GLU A 482 -9.258 8.348 -1.462 1.00 0.00 C ATOM 898 C GLU A 482 -8.963 6.856 -1.332 1.00 0.00 C ATOM 899 O GLU A 482 -9.873 6.045 -1.164 1.00 0.00 O ATOM 900 CB GLU A 482 -8.989 8.809 -2.897 1.00 0.00 C ATOM 901 CG GLU A 482 -9.510 10.205 -3.195 1.00 0.00 C ATOM 902 CD GLU A 482 -11.024 10.264 -3.246 1.00 0.00 C ATOM 903 OE1 GLU A 482 -11.663 10.046 -2.196 1.00 0.00 O ATOM 904 OE2 GLU A 482 -11.570 10.529 -4.338 1.00 0.00 O ATOM 0 H GLU A 482 -8.037 9.963 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.309 8.515 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.915 8.784 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.449 8.103 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.149 10.894 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -9.105 10.544 -4.148 1.00 0.00 H new ATOM 911 N GLN A 483 -7.684 6.503 -1.412 1.00 0.00 N ATOM 912 CA GLN A 483 -7.268 5.110 -1.305 1.00 0.00 C ATOM 913 C GLN A 483 -8.045 4.393 -0.206 1.00 0.00 C ATOM 914 O GLN A 483 -8.508 3.268 -0.391 1.00 0.00 O ATOM 915 CB GLN A 483 -5.767 5.024 -1.023 1.00 0.00 C ATOM 916 CG GLN A 483 -4.906 5.135 -2.271 1.00 0.00 C ATOM 917 CD GLN A 483 -5.320 6.287 -3.165 1.00 0.00 C ATOM 918 OE1 GLN A 483 -5.323 7.445 -2.744 1.00 0.00 O ATOM 919 NE2 GLN A 483 -5.673 5.977 -4.407 1.00 0.00 N ATOM 0 H GLN A 483 -6.918 7.162 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.481 4.620 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.490 5.818 -0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.553 4.077 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -3.864 5.263 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -4.967 4.203 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -5.656 5.005 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -5.961 6.711 -5.054 1.00 0.00 H new ATOM 928 N VAL A 484 -8.185 5.053 0.940 1.00 0.00 N ATOM 929 CA VAL A 484 -8.907 4.479 2.069 1.00 0.00 C ATOM 930 C VAL A 484 -10.139 3.712 1.602 1.00 0.00 C ATOM 931 O VAL A 484 -10.238 2.501 1.794 1.00 0.00 O ATOM 932 CB VAL A 484 -9.342 5.567 3.069 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.204 4.968 4.170 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.125 6.268 3.655 1.00 0.00 C ATOM 0 H VAL A 484 -7.808 5.985 1.110 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.222 3.792 2.566 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.939 6.308 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.501 5.752 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -11.093 4.516 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.636 4.206 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.450 7.034 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.500 5.540 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.552 6.733 2.853 1.00 0.00 H new ATOM 944 N GLN A 485 -11.076 4.427 0.986 1.00 0.00 N ATOM 945 CA GLN A 485 -12.302 3.814 0.491 1.00 0.00 C ATOM 946 C GLN A 485 -11.996 2.542 -0.294 1.00 0.00 C ATOM 947 O GLN A 485 -12.404 1.448 0.096 1.00 0.00 O ATOM 948 CB GLN A 485 -13.070 4.799 -0.392 1.00 0.00 C ATOM 949 CG GLN A 485 -14.570 4.552 -0.418 1.00 0.00 C ATOM 950 CD GLN A 485 -15.196 4.615 0.961 1.00 0.00 C ATOM 951 OE1 GLN A 485 -15.242 5.675 1.587 1.00 0.00 O ATOM 952 NE2 GLN A 485 -15.681 3.477 1.444 1.00 0.00 N ATOM 0 H GLN A 485 -11.009 5.431 0.818 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.919 3.550 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.883 5.813 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.683 4.740 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -15.045 5.292 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.766 3.574 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -15.622 2.622 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -16.113 3.458 2.368 1.00 0.00 H new ATOM 961 N ILE A 486 -11.277 2.694 -1.400 1.00 0.00 N ATOM 962 CA ILE A 486 -10.916 1.558 -2.239 1.00 0.00 C ATOM 963 C ILE A 486 -10.453 0.376 -1.393 1.00 0.00 C ATOM 964 O ILE A 486 -10.970 -0.733 -1.523 1.00 0.00 O ATOM 965 CB ILE A 486 -9.804 1.926 -3.239 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.300 2.994 -4.216 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.336 0.689 -3.990 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.058 4.409 -3.739 1.00 0.00 C ATOM 0 H ILE A 486 -10.933 3.593 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.812 1.278 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.957 2.332 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.805 2.854 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.368 2.853 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.550 0.966 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.948 -0.042 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.174 0.256 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.435 5.113 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.576 4.568 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -8.989 4.568 -3.599 1.00 0.00 H new ATOM 980 N ALA A 487 -9.478 0.622 -0.526 1.00 0.00 N ATOM 981 CA ALA A 487 -8.947 -0.420 0.344 1.00 0.00 C ATOM 982 C ALA A 487 -10.057 -1.065 1.167 1.00 0.00 C ATOM 983 O ALA A 487 -10.196 -2.288 1.191 1.00 0.00 O ATOM 984 CB ALA A 487 -7.874 0.151 1.259 1.00 0.00 C ATOM 0 H ALA A 487 -9.039 1.535 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.500 -1.190 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.487 -0.639 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.062 0.559 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.303 0.942 1.874 1.00 0.00 H new ATOM 990 N VAL A 488 -10.846 -0.235 1.843 1.00 0.00 N ATOM 991 CA VAL A 488 -11.944 -0.725 2.667 1.00 0.00 C ATOM 992 C VAL A 488 -12.888 -1.607 1.858 1.00 0.00 C ATOM 993 O VAL A 488 -13.239 -2.708 2.279 1.00 0.00 O ATOM 994 CB VAL A 488 -12.746 0.438 3.282 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.948 -0.090 4.050 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.856 1.281 4.182 1.00 0.00 C ATOM 0 H VAL A 488 -10.745 0.780 1.836 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.499 -1.314 3.469 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.111 1.072 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.502 0.746 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.596 -0.647 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.608 -0.747 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.439 2.098 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.459 0.661 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -11.031 1.690 3.598 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.295 -1.115 0.692 1.00 0.00 N ATOM 1007 CA ASN A 489 -14.198 -1.859 -0.178 1.00 0.00 C ATOM 1008 C ASN A 489 -13.727 -3.300 -0.347 1.00 0.00 C ATOM 1009 O ASN A 489 -14.490 -4.244 -0.138 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.298 -1.179 -1.545 1.00 0.00 C ATOM 1011 CG ASN A 489 -14.781 -2.126 -2.627 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -15.551 -3.049 -2.362 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.330 -1.899 -3.856 1.00 0.00 N ATOM 0 H ASN A 489 -13.014 -0.205 0.328 1.00 0.00 H new ATOM 0 HA ASN A 489 -15.184 -1.870 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.980 -0.331 -1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.322 -0.782 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -14.621 -2.502 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.693 -1.122 -4.030 1.00 0.00 H new ATOM 1020 N THR A 490 -12.464 -3.463 -0.727 1.00 0.00 N ATOM 1021 CA THR A 490 -11.890 -4.788 -0.925 1.00 0.00 C ATOM 1022 C THR A 490 -11.703 -5.511 0.404 1.00 0.00 C ATOM 1023 O THR A 490 -11.622 -6.738 0.448 1.00 0.00 O ATOM 1024 CB THR A 490 -10.533 -4.710 -1.650 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.615 -3.919 -0.887 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.694 -4.111 -3.039 1.00 0.00 C ATOM 0 H THR A 490 -11.819 -2.693 -0.904 1.00 0.00 H new ATOM 0 HA THR A 490 -12.592 -5.347 -1.543 1.00 0.00 H new ATOM 0 HB THR A 490 -10.142 -5.722 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 490 -10.100 -3.450 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.722 -4.066 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 490 -11.370 -4.732 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 490 -11.105 -3.105 -2.956 1.00 0.00 H new ATOM 1034 N SER A 491 -11.635 -4.741 1.486 1.00 0.00 N ATOM 1035 CA SER A 491 -11.454 -5.309 2.817 1.00 0.00 C ATOM 1036 C SER A 491 -12.759 -5.906 3.334 1.00 0.00 C ATOM 1037 O SER A 491 -12.754 -6.809 4.172 1.00 0.00 O ATOM 1038 CB SER A 491 -10.950 -4.238 3.787 1.00 0.00 C ATOM 1039 OG SER A 491 -11.151 -4.634 5.132 1.00 0.00 O ATOM 0 H SER A 491 -11.702 -3.723 1.467 1.00 0.00 H new ATOM 0 HA SER A 491 -10.712 -6.105 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 491 -9.890 -4.055 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 491 -11.470 -3.299 3.599 1.00 0.00 H new ATOM 0 HG SER A 491 -11.607 -3.916 5.620 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.877 -5.396 2.830 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.191 -5.878 3.238 1.00 0.00 C ATOM 1047 C LYS A 492 -15.296 -7.390 3.058 1.00 0.00 C ATOM 1048 O LYS A 492 -15.429 -8.132 4.031 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.287 -5.181 2.429 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.446 -3.708 2.765 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.804 -3.180 2.331 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.863 -2.964 0.827 1.00 0.00 C ATOM 1053 NZ LYS A 492 -19.233 -2.596 0.373 1.00 0.00 N ATOM 0 H LYS A 492 -13.899 -4.648 2.137 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.324 -5.645 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -16.063 -5.281 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.235 -5.690 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -16.325 -3.564 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -15.658 -3.135 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -18.581 -3.883 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -18.011 -2.240 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -17.163 -2.177 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -17.543 -3.872 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -19.232 -2.457 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -19.897 -3.358 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.529 -1.715 0.840 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.235 -7.838 1.809 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.325 -9.260 1.503 1.00 0.00 C ATOM 1069 C TYR A 493 -14.172 -10.029 2.142 1.00 0.00 C ATOM 1070 O TYR A 493 -14.370 -11.092 2.728 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.320 -9.478 -0.011 1.00 0.00 C ATOM 1072 CG TYR A 493 -13.948 -9.362 -0.636 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.067 -10.437 -0.629 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.532 -8.178 -1.231 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.812 -10.335 -1.198 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.279 -8.068 -1.803 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.423 -9.149 -1.784 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.174 -9.043 -2.352 1.00 0.00 O ATOM 0 H TYR A 493 -15.124 -7.237 0.993 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.261 -9.636 1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.727 -10.466 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -15.985 -8.750 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.368 -11.368 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.199 -7.329 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.139 -11.180 -1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -11.972 -7.140 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.058 -8.143 -2.722 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.967 -9.481 2.024 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.782 -10.112 2.592 1.00 0.00 C ATOM 1090 C ALA A 494 -12.068 -10.663 3.985 1.00 0.00 C ATOM 1091 O ALA A 494 -12.385 -9.911 4.906 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.628 -9.122 2.640 1.00 0.00 C ATOM 0 H ALA A 494 -12.786 -8.602 1.540 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.502 -10.947 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.750 -9.607 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.399 -8.780 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.907 -8.268 3.258 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.953 -11.979 4.132 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.200 -12.629 5.413 1.00 0.00 C ATOM 1100 C GLU A 495 -10.891 -12.903 6.146 1.00 0.00 C ATOM 1101 O GLU A 495 -10.784 -12.682 7.353 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.966 -13.938 5.207 1.00 0.00 C ATOM 1103 CG GLU A 495 -14.471 -13.754 5.113 1.00 0.00 C ATOM 1104 CD GLU A 495 -15.228 -15.059 5.264 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -15.482 -15.467 6.417 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -15.567 -15.673 4.230 1.00 0.00 O ATOM 0 H GLU A 495 -11.690 -12.616 3.380 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.803 -11.956 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.610 -14.418 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -12.742 -14.614 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -14.797 -13.057 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -14.719 -13.303 4.152 1.00 0.00 H new ATOM 1113 N SER A 496 -9.896 -13.386 5.409 1.00 0.00 N ATOM 1114 CA SER A 496 -8.594 -13.694 5.989 1.00 0.00 C ATOM 1115 C SER A 496 -8.028 -12.485 6.728 1.00 0.00 C ATOM 1116 O SER A 496 -7.581 -12.595 7.869 1.00 0.00 O ATOM 1117 CB SER A 496 -7.619 -14.141 4.897 1.00 0.00 C ATOM 1118 OG SER A 496 -8.128 -15.255 4.184 1.00 0.00 O ATOM 0 H SER A 496 -9.967 -13.573 4.409 1.00 0.00 H new ATOM 0 HA SER A 496 -8.725 -14.506 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.437 -13.316 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 496 -6.660 -14.400 5.345 1.00 0.00 H new ATOM 0 HG SER A 496 -7.488 -15.520 3.491 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.052 -11.333 6.068 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.539 -10.103 6.660 1.00 0.00 C ATOM 1126 C TYR A 497 -8.658 -9.083 6.853 1.00 0.00 C ATOM 1127 O TYR A 497 -9.596 -9.017 6.058 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.438 -9.508 5.780 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.956 -8.871 4.510 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.728 -7.717 4.554 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.675 -9.424 3.267 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.204 -7.131 3.396 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.145 -8.845 2.105 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.909 -7.699 2.174 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.381 -7.120 1.019 1.00 0.00 O ATOM 0 H TYR A 497 -8.421 -11.225 5.123 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.122 -10.347 7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -5.890 -8.761 6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.729 -10.293 5.519 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.960 -7.270 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.079 -10.322 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.803 -6.234 3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.915 -9.287 1.147 1.00 0.00 H new ATOM 0 HH TYR A 497 -8.083 -7.643 0.246 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.550 -8.290 7.913 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.551 -7.273 8.212 1.00 0.00 C ATOM 1147 C ARG A 498 -8.919 -5.886 8.266 1.00 0.00 C ATOM 1148 O ARG A 498 -7.914 -5.677 8.946 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.242 -7.583 9.541 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.381 -6.632 9.871 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.621 -6.941 9.047 1.00 0.00 C ATOM 1152 NE ARG A 498 -13.128 -8.287 9.303 1.00 0.00 N ATOM 1153 CZ ARG A 498 -14.378 -8.661 9.057 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -15.245 -7.795 8.551 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -14.764 -9.904 9.317 1.00 0.00 N ATOM 0 H ARG A 498 -7.779 -8.332 8.580 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.293 -7.284 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.628 -8.602 9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.504 -7.545 10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.621 -6.704 10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -11.065 -5.606 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -13.398 -6.212 9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.387 -6.837 7.987 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.486 -8.978 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -14.952 -6.839 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -16.205 -8.085 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -14.100 -10.573 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -15.725 -10.190 9.128 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.513 -4.942 7.544 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.008 -3.575 7.510 1.00 0.00 C ATOM 1171 C ILE A 499 -10.084 -2.581 7.934 1.00 0.00 C ATOM 1172 O ILE A 499 -11.256 -2.737 7.592 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.500 -3.197 6.107 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.393 -4.156 5.666 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -7.999 -1.760 6.094 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.069 -4.069 4.191 1.00 0.00 C ATOM 0 H ILE A 499 -10.345 -5.099 6.975 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.176 -3.528 8.213 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.328 -3.279 5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.491 -3.945 6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.692 -5.177 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.643 -1.508 5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.812 -1.089 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.182 -1.653 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.276 -4.777 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.958 -4.309 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.739 -3.058 3.950 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.677 -1.558 8.678 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.606 -0.537 9.148 1.00 0.00 C ATOM 1190 C GLN A 500 -9.943 0.836 9.168 1.00 0.00 C ATOM 1191 O GLN A 500 -8.749 0.965 8.894 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.120 -0.889 10.545 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.029 -0.929 11.602 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.507 -1.522 12.913 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -10.180 -0.861 14.017 1.00 0.00 O flip ATOM 1196 NE2 GLN A 500 -11.164 -2.564 12.933 1.00 0.00 N flip ATOM 0 H GLN A 500 -8.710 -1.414 8.968 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.448 -0.503 8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -11.874 -0.159 10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.614 -1.860 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.188 -1.513 11.229 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -9.662 0.082 11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -11.393 -3.039 12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -11.479 -2.951 13.822 1.00 0.00 H new ATOM 1205 N THR A 501 -10.724 1.861 9.494 1.00 0.00 N ATOM 1206 CA THR A 501 -10.213 3.224 9.548 1.00 0.00 C ATOM 1207 C THR A 501 -9.768 3.589 10.960 1.00 0.00 C ATOM 1208 O THR A 501 -10.362 3.145 11.943 1.00 0.00 O ATOM 1209 CB THR A 501 -11.271 4.240 9.077 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.510 4.008 9.756 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.484 4.141 7.574 1.00 0.00 C ATOM 0 H THR A 501 -11.714 1.772 9.725 1.00 0.00 H new ATOM 0 HA THR A 501 -9.355 3.266 8.877 1.00 0.00 H new ATOM 0 HB THR A 501 -10.911 5.242 9.312 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.176 4.659 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.235 4.868 7.264 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.546 4.347 7.059 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.824 3.137 7.320 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.721 4.401 11.054 1.00 0.00 N ATOM 1220 CA TYR A 502 -8.195 4.824 12.347 1.00 0.00 C ATOM 1221 C TYR A 502 -9.327 5.070 13.340 1.00 0.00 C ATOM 1222 O TYR A 502 -9.350 4.493 14.427 1.00 0.00 O ATOM 1223 CB TYR A 502 -7.355 6.092 12.189 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.621 6.493 13.449 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -5.472 5.821 13.850 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -7.076 7.541 14.238 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.799 6.183 15.001 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -6.408 7.911 15.389 1.00 0.00 C ATOM 1229 CZ TYR A 502 -5.270 7.229 15.767 1.00 0.00 C ATOM 1230 OH TYR A 502 -4.603 7.593 16.914 1.00 0.00 O ATOM 0 H TYR A 502 -8.220 4.780 10.250 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.563 4.024 12.734 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.630 5.940 11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -8.004 6.912 11.880 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -5.099 5.003 13.252 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.968 8.076 13.947 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.909 5.650 15.300 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -6.775 8.730 15.990 1.00 0.00 H new ATOM 0 HH TYR A 502 -5.065 8.348 17.335 1.00 0.00 H new ATOM 1240 N ALA A 503 -10.264 5.931 12.958 1.00 0.00 N ATOM 1241 CA ALA A 503 -11.400 6.253 13.813 1.00 0.00 C ATOM 1242 C ALA A 503 -11.985 4.995 14.445 1.00 0.00 C ATOM 1243 O ALA A 503 -12.228 4.951 15.651 1.00 0.00 O ATOM 1244 CB ALA A 503 -12.466 6.991 13.017 1.00 0.00 C ATOM 0 H ALA A 503 -10.259 6.418 12.062 1.00 0.00 H new ATOM 0 HA ALA A 503 -11.048 6.901 14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -13.309 7.225 13.667 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.048 7.915 12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.807 6.362 12.194 1.00 0.00 H new ATOM 1250 N GLU A 504 -12.209 3.974 13.623 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.767 2.716 14.104 1.00 0.00 C ATOM 1252 C GLU A 504 -11.874 2.099 15.176 1.00 0.00 C ATOM 1253 O GLU A 504 -12.361 1.580 16.182 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.943 1.734 12.943 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.063 2.113 11.990 1.00 0.00 C ATOM 1256 CD GLU A 504 -14.596 0.924 11.214 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -14.750 -0.158 11.817 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -14.858 1.076 10.002 1.00 0.00 O ATOM 0 H GLU A 504 -12.013 3.994 12.622 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.742 2.925 14.545 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -12.008 1.672 12.386 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -13.140 0.740 13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.877 2.568 12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -13.700 2.866 11.290 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.566 2.157 14.954 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.604 1.602 15.898 1.00 0.00 C ATOM 1267 C TYR A 505 -9.692 2.312 17.246 1.00 0.00 C ATOM 1268 O TYR A 505 -9.965 1.690 18.272 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.185 1.717 15.340 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.112 1.310 16.325 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -6.687 -0.009 16.415 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.523 2.247 17.166 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -5.708 -0.385 17.314 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.542 1.881 18.067 1.00 0.00 C ATOM 1275 CZ TYR A 505 -5.138 0.564 18.138 1.00 0.00 C ATOM 1276 OH TYR A 505 -4.162 0.194 19.034 1.00 0.00 O ATOM 0 H TYR A 505 -10.147 2.583 14.127 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.844 0.549 16.046 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.103 1.095 14.448 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -8.009 2.746 15.028 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.130 -0.754 15.771 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.838 3.279 17.114 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -5.390 -1.416 17.372 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -5.094 2.622 18.712 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.865 0.981 19.537 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.458 3.621 17.234 1.00 0.00 N ATOM 1287 CA VAL A 506 -9.512 4.418 18.453 1.00 0.00 C ATOM 1288 C VAL A 506 -10.840 4.227 19.177 1.00 0.00 C ATOM 1289 O VAL A 506 -10.888 4.174 20.405 1.00 0.00 O ATOM 1290 CB VAL A 506 -9.314 5.916 18.154 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.866 6.200 17.783 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -10.255 6.366 17.046 1.00 0.00 C ATOM 0 H VAL A 506 -9.229 4.151 16.393 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.700 4.072 19.093 1.00 0.00 H new ATOM 0 HB VAL A 506 -9.551 6.483 19.054 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -7.745 7.263 17.575 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -7.216 5.916 18.611 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.598 5.624 16.897 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -10.102 7.427 16.847 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -10.051 5.794 16.141 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -11.287 6.200 17.355 1.00 0.00 H new