USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 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= -0.0593 K(o=-0.21,f=-1.9!) USER MOD Set 1.2: A 477 SER OG : rot 180:sc= -0.15 USER MOD Single : A 439 HIS :FLIP no HD1:sc= -0.47 F(o=-1.3,f=-0.47) USER MOD Single : A 442 HIS :FLIP no HE2:sc= -1.31 F(o=-4.8,f=-1.3) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.0294 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= -0.226 USER MOD Single : A 452 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.6!) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0.441 K(o=0.44,f=-2.3!) 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= -0.458 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -0.52 K(o=-0.52,f=-1.1) USER MOD Single : A 483 GLN : amide:sc= 0.00452 X(o=0.0045,f=-0.28) USER MOD Single : A 485 GLN : amide:sc= -0.855 X(o=-0.86,f=-0.37) USER MOD Single : A 489 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.073) USER MOD Single : A 490 THR OG1 : rot -22:sc= 1.09 USER MOD Single : A 491 SER OG : rot -19:sc= 0.208 USER MOD Single : A 492 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.336) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc=-0.000593 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 500 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.92) USER MOD Single : A 501 THR OG1 : rot 180:sc= -1.01 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 -5.990 8.602 6.182 1.00 0.00 N ATOM 208 CA HIS A 439 -5.063 7.865 5.330 1.00 0.00 C ATOM 209 C HIS A 439 -4.563 6.607 6.033 1.00 0.00 C ATOM 210 O HIS A 439 -4.207 5.622 5.385 1.00 0.00 O ATOM 211 CB HIS A 439 -3.879 8.751 4.942 1.00 0.00 C ATOM 212 CG HIS A 439 -3.333 9.554 6.082 1.00 0.00 C ATOM 213 ND1 HIS A 439 -2.453 9.224 7.056 1.00 0.00 N flip ATOM 214 CD2 HIS A 439 -3.689 10.865 6.317 1.00 0.00 C flip ATOM 215 CE1 HIS A 439 -2.293 10.331 7.853 1.00 0.00 C flip ATOM 216 NE2 HIS A 439 -3.050 11.308 7.386 1.00 0.00 N flip ATOM 0 HA HIS A 439 -5.596 7.568 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.085 8.125 4.536 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.188 9.429 4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -4.382 11.440 5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -1.653 10.393 8.720 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -3.128 12.244 7.783 1.00 0.00 H new ATOM 225 N VAL A 440 -4.539 6.646 7.361 1.00 0.00 N ATOM 226 CA VAL A 440 -4.083 5.509 8.152 1.00 0.00 C ATOM 227 C VAL A 440 -5.144 4.415 8.202 1.00 0.00 C ATOM 228 O VAL A 440 -6.332 4.693 8.364 1.00 0.00 O ATOM 229 CB VAL A 440 -3.729 5.931 9.590 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.149 4.757 10.364 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.758 7.103 9.576 1.00 0.00 C ATOM 0 H VAL A 440 -4.830 7.453 7.912 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.188 5.122 7.664 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.642 6.250 10.092 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.905 5.075 11.378 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.880 3.950 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.245 4.404 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.518 7.389 10.600 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.845 6.813 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.215 7.948 9.061 1.00 0.00 H new ATOM 241 N LEU A 441 -4.706 3.168 8.064 1.00 0.00 N ATOM 242 CA LEU A 441 -5.617 2.029 8.094 1.00 0.00 C ATOM 243 C LEU A 441 -5.137 0.974 9.085 1.00 0.00 C ATOM 244 O LEU A 441 -4.001 0.506 9.009 1.00 0.00 O ATOM 245 CB LEU A 441 -5.744 1.415 6.699 1.00 0.00 C ATOM 246 CG LEU A 441 -5.845 2.403 5.537 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.529 1.712 4.219 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.229 3.034 5.492 1.00 0.00 C ATOM 0 H LEU A 441 -3.726 2.920 7.930 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.595 2.386 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.882 0.771 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.627 0.776 6.684 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.112 3.194 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.606 2.431 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.517 1.309 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.237 0.900 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.283 3.735 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -7.980 2.255 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.417 3.565 6.425 1.00 0.00 H new ATOM 260 N HIS A 442 -6.011 0.602 10.015 1.00 0.00 N ATOM 261 CA HIS A 442 -5.678 -0.401 11.020 1.00 0.00 C ATOM 262 C HIS A 442 -6.040 -1.801 10.533 1.00 0.00 C ATOM 263 O HIS A 442 -7.216 -2.156 10.451 1.00 0.00 O ATOM 264 CB HIS A 442 -6.405 -0.101 12.331 1.00 0.00 C ATOM 265 CG HIS A 442 -5.951 -0.953 13.477 1.00 0.00 C ATOM 266 ND1 HIS A 442 -4.839 -0.884 14.246 1.00 0.00 N flip ATOM 267 CD2 HIS A 442 -6.674 -2.030 13.947 1.00 0.00 C flip ATOM 268 CE1 HIS A 442 -4.910 -1.908 15.158 1.00 0.00 C flip ATOM 269 NE2 HIS A 442 -6.027 -2.584 14.956 1.00 0.00 N flip ATOM 0 H HIS A 442 -6.955 0.980 10.093 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.602 -0.363 11.192 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.256 0.948 12.588 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.476 -0.244 12.184 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -4.088 -0.199 14.163 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -7.621 -2.367 13.552 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -4.173 -2.125 15.917 1.00 0.00 H new ATOM 278 N VAL A 443 -5.022 -2.591 10.209 1.00 0.00 N ATOM 279 CA VAL A 443 -5.233 -3.952 9.729 1.00 0.00 C ATOM 280 C VAL A 443 -4.792 -4.976 10.769 1.00 0.00 C ATOM 281 O VAL A 443 -3.616 -5.047 11.129 1.00 0.00 O ATOM 282 CB VAL A 443 -4.469 -4.209 8.416 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.816 -5.581 7.857 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.773 -3.118 7.401 1.00 0.00 C ATOM 0 H VAL A 443 -4.043 -2.312 10.270 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.302 -4.061 9.546 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.400 -4.189 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.267 -5.745 6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.543 -6.349 8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.887 -5.633 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.225 -3.315 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.843 -3.104 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.470 -2.152 7.804 1.00 0.00 H new ATOM 294 N THR A 444 -5.744 -5.770 11.251 1.00 0.00 N ATOM 295 CA THR A 444 -5.455 -6.790 12.251 1.00 0.00 C ATOM 296 C THR A 444 -5.184 -8.140 11.597 1.00 0.00 C ATOM 297 O THR A 444 -6.108 -8.821 11.151 1.00 0.00 O ATOM 298 CB THR A 444 -6.616 -6.940 13.252 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.868 -6.784 12.576 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.504 -5.913 14.368 1.00 0.00 C ATOM 0 H THR A 444 -6.722 -5.726 10.964 1.00 0.00 H new ATOM 0 HA THR A 444 -4.563 -6.464 12.787 1.00 0.00 H new ATOM 0 HB THR A 444 -6.563 -7.936 13.691 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.601 -6.882 13.219 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.335 -6.038 15.063 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.563 -6.054 14.899 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.534 -4.910 13.943 1.00 0.00 H new ATOM 308 N PHE A 445 -3.913 -8.522 11.542 1.00 0.00 N ATOM 309 CA PHE A 445 -3.521 -9.792 10.941 1.00 0.00 C ATOM 310 C PHE A 445 -2.753 -10.652 11.940 1.00 0.00 C ATOM 311 O PHE A 445 -2.155 -10.155 12.895 1.00 0.00 O ATOM 312 CB PHE A 445 -2.665 -9.549 9.696 1.00 0.00 C ATOM 313 CG PHE A 445 -1.590 -8.520 9.899 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.403 -8.854 10.530 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.767 -7.218 9.458 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.587 -7.909 10.719 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.780 -6.268 9.644 1.00 0.00 C ATOM 318 CZ PHE A 445 0.399 -6.615 10.274 1.00 0.00 C ATOM 0 H PHE A 445 -3.136 -7.970 11.906 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.428 -10.324 10.652 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.204 -10.489 9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.311 -9.232 8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.250 -9.865 10.878 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.687 -6.942 8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.507 -8.182 11.214 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.931 -5.256 9.297 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.173 -5.876 10.419 1.00 0.00 H new ATOM 328 N PRO A 446 -2.769 -11.974 11.717 1.00 0.00 N ATOM 329 CA PRO A 446 -2.079 -12.932 12.586 1.00 0.00 C ATOM 330 C PRO A 446 -0.562 -12.832 12.470 1.00 0.00 C ATOM 331 O PRO A 446 -0.024 -12.622 11.382 1.00 0.00 O ATOM 332 CB PRO A 446 -2.566 -14.290 12.075 1.00 0.00 C ATOM 333 CG PRO A 446 -2.943 -14.046 10.654 1.00 0.00 C ATOM 334 CD PRO A 446 -3.461 -12.636 10.599 1.00 0.00 C ATOM 0 HA PRO A 446 -2.296 -12.755 13.640 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.785 -15.046 12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.416 -14.649 12.654 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.084 -14.172 9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.703 -14.754 10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.231 -12.160 9.646 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.544 -12.601 10.719 1.00 0.00 H new ATOM 342 N LYS A 447 0.125 -12.983 13.598 1.00 0.00 N ATOM 343 CA LYS A 447 1.581 -12.912 13.623 1.00 0.00 C ATOM 344 C LYS A 447 2.186 -13.740 12.494 1.00 0.00 C ATOM 345 O LYS A 447 3.194 -13.355 11.902 1.00 0.00 O ATOM 346 CB LYS A 447 2.113 -13.403 14.971 1.00 0.00 C ATOM 347 CG LYS A 447 2.121 -14.916 15.107 1.00 0.00 C ATOM 348 CD LYS A 447 0.724 -15.461 15.357 1.00 0.00 C ATOM 349 CE LYS A 447 0.749 -16.959 15.619 1.00 0.00 C ATOM 350 NZ LYS A 447 -0.434 -17.404 16.406 1.00 0.00 N ATOM 0 H LYS A 447 -0.304 -13.155 14.507 1.00 0.00 H new ATOM 0 HA LYS A 447 1.871 -11.871 13.482 1.00 0.00 H new ATOM 0 HB2 LYS A 447 3.127 -13.029 15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.504 -12.978 15.769 1.00 0.00 H new ATOM 0 HG2 LYS A 447 2.529 -15.362 14.200 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.778 -15.205 15.928 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.280 -14.949 16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.091 -15.252 14.495 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.775 -17.493 14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.661 -17.219 16.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.380 -18.431 16.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.446 -16.913 17.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.304 -17.180 15.882 1.00 0.00 H new ATOM 364 N GLU A 448 1.563 -14.877 12.200 1.00 0.00 N ATOM 365 CA GLU A 448 2.041 -15.757 11.140 1.00 0.00 C ATOM 366 C GLU A 448 2.474 -14.952 9.918 1.00 0.00 C ATOM 367 O GLU A 448 3.286 -15.412 9.115 1.00 0.00 O ATOM 368 CB GLU A 448 0.951 -16.757 10.747 1.00 0.00 C ATOM 369 CG GLU A 448 -0.257 -16.112 10.088 1.00 0.00 C ATOM 370 CD GLU A 448 -1.519 -16.937 10.251 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.714 -17.513 11.342 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.312 -17.006 9.289 1.00 0.00 O ATOM 0 H GLU A 448 0.727 -15.210 12.680 1.00 0.00 H new ATOM 0 HA GLU A 448 2.905 -16.303 11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.375 -17.495 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.625 -17.295 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.416 -15.123 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -0.055 -15.970 9.026 1.00 0.00 H new ATOM 379 N TRP A 449 1.925 -13.751 9.784 1.00 0.00 N ATOM 380 CA TRP A 449 2.253 -12.882 8.659 1.00 0.00 C ATOM 381 C TRP A 449 3.672 -12.338 8.788 1.00 0.00 C ATOM 382 O TRP A 449 4.404 -12.697 9.710 1.00 0.00 O ATOM 383 CB TRP A 449 1.256 -11.725 8.574 1.00 0.00 C ATOM 384 CG TRP A 449 -0.054 -12.114 7.959 1.00 0.00 C ATOM 385 CD1 TRP A 449 -0.760 -13.259 8.191 1.00 0.00 C ATOM 386 CD2 TRP A 449 -0.812 -11.358 7.008 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.912 -13.261 7.442 1.00 0.00 N ATOM 388 CE2 TRP A 449 -1.968 -12.106 6.709 1.00 0.00 C ATOM 389 CE3 TRP A 449 -0.628 -10.122 6.382 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.932 -11.656 5.811 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -1.586 -9.678 5.491 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.727 -10.443 5.212 1.00 0.00 C ATOM 0 H TRP A 449 1.251 -13.356 10.440 1.00 0.00 H new ATOM 0 HA TRP A 449 2.192 -13.473 7.745 1.00 0.00 H new ATOM 0 HB2 TRP A 449 1.077 -11.335 9.576 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.697 -10.917 7.991 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.458 -14.047 8.864 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.612 -14.003 7.433 1.00 0.00 H new ATOM 0 HE3 TRP A 449 0.247 -9.525 6.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -3.812 -12.244 5.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.453 -8.725 5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.458 -10.068 4.511 1.00 0.00 H new ATOM 403 N LYS A 450 4.055 -11.470 7.858 1.00 0.00 N ATOM 404 CA LYS A 450 5.386 -10.874 7.867 1.00 0.00 C ATOM 405 C LYS A 450 5.401 -9.563 7.088 1.00 0.00 C ATOM 406 O LYS A 450 4.521 -9.307 6.265 1.00 0.00 O ATOM 407 CB LYS A 450 6.406 -11.846 7.270 1.00 0.00 C ATOM 408 CG LYS A 450 6.801 -12.969 8.214 1.00 0.00 C ATOM 409 CD LYS A 450 8.073 -13.662 7.754 1.00 0.00 C ATOM 410 CE LYS A 450 9.313 -12.889 8.176 1.00 0.00 C ATOM 411 NZ LYS A 450 9.717 -13.209 9.573 1.00 0.00 N ATOM 0 H LYS A 450 3.462 -11.163 7.087 1.00 0.00 H new ATOM 0 HA LYS A 450 5.656 -10.664 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.994 -12.277 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.300 -11.291 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.946 -12.568 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.991 -13.696 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 450 8.111 -14.669 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 450 8.060 -13.766 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 450 10.134 -13.122 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.121 -11.819 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 10.566 -12.662 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 8.943 -12.964 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 9.925 -14.225 9.650 1.00 0.00 H new ATOM 425 N THR A 451 6.407 -8.735 7.352 1.00 0.00 N ATOM 426 CA THR A 451 6.537 -7.450 6.676 1.00 0.00 C ATOM 427 C THR A 451 6.179 -7.568 5.198 1.00 0.00 C ATOM 428 O THR A 451 5.336 -6.827 4.693 1.00 0.00 O ATOM 429 CB THR A 451 7.966 -6.890 6.803 1.00 0.00 C ATOM 430 OG1 THR A 451 8.316 -6.751 8.185 1.00 0.00 O ATOM 431 CG2 THR A 451 8.084 -5.543 6.106 1.00 0.00 C ATOM 0 H THR A 451 7.144 -8.932 8.029 1.00 0.00 H new ATOM 0 HA THR A 451 5.842 -6.765 7.162 1.00 0.00 H new ATOM 0 HB THR A 451 8.651 -7.589 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.226 -6.396 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 451 9.102 -5.168 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.845 -5.658 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.389 -4.836 6.560 1.00 0.00 H new ATOM 439 N SER A 452 6.825 -8.505 4.511 1.00 0.00 N ATOM 440 CA SER A 452 6.577 -8.717 3.090 1.00 0.00 C ATOM 441 C SER A 452 5.084 -8.876 2.817 1.00 0.00 C ATOM 442 O SER A 452 4.485 -8.074 2.100 1.00 0.00 O ATOM 443 CB SER A 452 7.331 -9.954 2.598 1.00 0.00 C ATOM 444 OG SER A 452 7.070 -11.074 3.427 1.00 0.00 O ATOM 0 H SER A 452 7.523 -9.129 4.915 1.00 0.00 H new ATOM 0 HA SER A 452 6.937 -7.842 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.036 -10.180 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 452 8.402 -9.750 2.584 1.00 0.00 H new ATOM 0 HG SER A 452 7.562 -11.852 3.090 1.00 0.00 H new ATOM 450 N ASP A 453 4.491 -9.915 3.393 1.00 0.00 N ATOM 451 CA ASP A 453 3.068 -10.180 3.214 1.00 0.00 C ATOM 452 C ASP A 453 2.270 -8.880 3.212 1.00 0.00 C ATOM 453 O ASP A 453 1.379 -8.688 2.384 1.00 0.00 O ATOM 454 CB ASP A 453 2.557 -11.106 4.319 1.00 0.00 C ATOM 455 CG ASP A 453 1.277 -11.820 3.929 1.00 0.00 C ATOM 456 OD1 ASP A 453 0.555 -11.306 3.049 1.00 0.00 O ATOM 457 OD2 ASP A 453 0.999 -12.893 4.504 1.00 0.00 O ATOM 0 H ASP A 453 4.973 -10.588 3.988 1.00 0.00 H new ATOM 0 HA ASP A 453 2.933 -10.670 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 453 3.324 -11.844 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 453 2.384 -10.525 5.225 1.00 0.00 H new ATOM 462 N LEU A 454 2.594 -7.992 4.145 1.00 0.00 N ATOM 463 CA LEU A 454 1.906 -6.710 4.252 1.00 0.00 C ATOM 464 C LEU A 454 2.148 -5.856 3.011 1.00 0.00 C ATOM 465 O LEU A 454 1.205 -5.448 2.333 1.00 0.00 O ATOM 466 CB LEU A 454 2.376 -5.960 5.500 1.00 0.00 C ATOM 467 CG LEU A 454 1.646 -6.297 6.801 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.140 -6.238 6.598 1.00 0.00 C ATOM 469 CD2 LEU A 454 2.065 -7.670 7.306 1.00 0.00 C ATOM 0 H LEU A 454 3.328 -8.136 4.838 1.00 0.00 H new ATOM 0 HA LEU A 454 0.837 -6.905 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.438 -6.160 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.274 -4.890 5.316 1.00 0.00 H new ATOM 0 HG LEU A 454 1.920 -5.556 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.363 -6.481 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -0.146 -5.235 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.152 -6.956 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.536 -7.894 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.820 -8.423 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.139 -7.678 7.491 1.00 0.00 H new ATOM 481 N TYR A 455 3.417 -5.593 2.719 1.00 0.00 N ATOM 482 CA TYR A 455 3.783 -4.788 1.559 1.00 0.00 C ATOM 483 C TYR A 455 3.076 -5.290 0.303 1.00 0.00 C ATOM 484 O TYR A 455 2.169 -4.638 -0.213 1.00 0.00 O ATOM 485 CB TYR A 455 5.298 -4.816 1.351 1.00 0.00 C ATOM 486 CG TYR A 455 6.032 -3.732 2.107 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.637 -2.403 2.014 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.122 -4.036 2.913 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.305 -1.409 2.703 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.796 -3.049 3.606 1.00 0.00 C ATOM 491 CZ TYR A 455 7.384 -1.737 3.498 1.00 0.00 C ATOM 492 OH TYR A 455 8.053 -0.751 4.185 1.00 0.00 O ATOM 0 H TYR A 455 4.209 -5.925 3.269 1.00 0.00 H new ATOM 0 HA TYR A 455 3.467 -3.762 1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.681 -5.788 1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.512 -4.715 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.793 -2.143 1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.448 -5.062 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.984 -0.381 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.641 -3.303 4.229 1.00 0.00 H new ATOM 0 HH TYR A 455 8.786 -1.150 4.698 1.00 0.00 H new ATOM 502 N GLN A 456 3.499 -6.453 -0.181 1.00 0.00 N ATOM 503 CA GLN A 456 2.908 -7.043 -1.376 1.00 0.00 C ATOM 504 C GLN A 456 1.394 -6.854 -1.384 1.00 0.00 C ATOM 505 O GLN A 456 0.831 -6.308 -2.333 1.00 0.00 O ATOM 506 CB GLN A 456 3.248 -8.532 -1.458 1.00 0.00 C ATOM 507 CG GLN A 456 3.475 -9.179 -0.102 1.00 0.00 C ATOM 508 CD GLN A 456 3.088 -10.645 -0.083 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.936 -11.520 0.094 1.00 0.00 O ATOM 510 NE2 GLN A 456 1.802 -10.921 -0.266 1.00 0.00 N ATOM 0 H GLN A 456 4.248 -7.005 0.236 1.00 0.00 H new ATOM 0 HA GLN A 456 3.325 -6.535 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.439 -9.053 -1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 456 4.143 -8.659 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 456 4.525 -9.081 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 456 2.898 -8.645 0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 456 1.133 -10.164 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 456 1.483 -11.890 -0.263 1.00 0.00 H new ATOM 519 N LEU A 457 0.741 -7.310 -0.321 1.00 0.00 N ATOM 520 CA LEU A 457 -0.709 -7.192 -0.206 1.00 0.00 C ATOM 521 C LEU A 457 -1.159 -5.755 -0.446 1.00 0.00 C ATOM 522 O LEU A 457 -2.170 -5.512 -1.107 1.00 0.00 O ATOM 523 CB LEU A 457 -1.170 -7.659 1.176 1.00 0.00 C ATOM 524 CG LEU A 457 -2.679 -7.651 1.419 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.290 -8.987 1.024 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.984 -7.333 2.875 1.00 0.00 C ATOM 0 H LEU A 457 1.192 -7.765 0.473 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.162 -7.827 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.802 -8.672 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.698 -7.026 1.927 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.123 -6.873 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.365 -8.963 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.103 -9.174 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.840 -9.783 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.063 -7.332 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.527 -8.087 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.581 -6.352 3.125 1.00 0.00 H new ATOM 538 N PHE A 458 -0.401 -4.805 0.092 1.00 0.00 N ATOM 539 CA PHE A 458 -0.722 -3.391 -0.065 1.00 0.00 C ATOM 540 C PHE A 458 -0.082 -2.826 -1.330 1.00 0.00 C ATOM 541 O PHE A 458 -0.363 -1.696 -1.729 1.00 0.00 O ATOM 542 CB PHE A 458 -0.249 -2.601 1.156 1.00 0.00 C ATOM 543 CG PHE A 458 -1.273 -2.522 2.252 1.00 0.00 C ATOM 544 CD1 PHE A 458 -1.383 -3.537 3.190 1.00 0.00 C ATOM 545 CD2 PHE A 458 -2.125 -1.433 2.346 1.00 0.00 C ATOM 546 CE1 PHE A 458 -2.325 -3.467 4.198 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.068 -1.358 3.353 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.168 -2.376 4.281 1.00 0.00 C ATOM 0 H PHE A 458 0.439 -4.989 0.640 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.804 -3.297 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.657 -3.062 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 458 0.017 -1.591 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -0.725 -4.392 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -2.051 -0.634 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.402 -4.265 4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.726 -0.504 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 458 -3.904 -2.319 5.070 1.00 0.00 H new ATOM 558 N SER A 459 0.782 -3.620 -1.955 1.00 0.00 N ATOM 559 CA SER A 459 1.466 -3.199 -3.172 1.00 0.00 C ATOM 560 C SER A 459 0.479 -2.605 -4.172 1.00 0.00 C ATOM 561 O SER A 459 0.861 -1.846 -5.062 1.00 0.00 O ATOM 562 CB SER A 459 2.201 -4.381 -3.805 1.00 0.00 C ATOM 563 OG SER A 459 2.909 -3.980 -4.965 1.00 0.00 O ATOM 0 H SER A 459 1.025 -4.559 -1.638 1.00 0.00 H new ATOM 0 HA SER A 459 2.192 -2.431 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.895 -4.811 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.486 -5.162 -4.064 1.00 0.00 H new ATOM 0 HG SER A 459 3.371 -4.754 -5.350 1.00 0.00 H new ATOM 569 N ALA A 460 -0.794 -2.957 -4.018 1.00 0.00 N ATOM 570 CA ALA A 460 -1.837 -2.458 -4.906 1.00 0.00 C ATOM 571 C ALA A 460 -1.721 -0.949 -5.095 1.00 0.00 C ATOM 572 O ALA A 460 -1.896 -0.437 -6.201 1.00 0.00 O ATOM 573 CB ALA A 460 -3.211 -2.819 -4.361 1.00 0.00 C ATOM 0 H ALA A 460 -1.127 -3.585 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.708 -2.931 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.980 -2.440 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.298 -3.903 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.340 -2.373 -3.375 1.00 0.00 H new ATOM 579 N PHE A 461 -1.426 -0.242 -4.010 1.00 0.00 N ATOM 580 CA PHE A 461 -1.289 1.209 -4.057 1.00 0.00 C ATOM 581 C PHE A 461 0.148 1.609 -4.382 1.00 0.00 C ATOM 582 O PHE A 461 0.396 2.359 -5.325 1.00 0.00 O ATOM 583 CB PHE A 461 -1.712 1.826 -2.723 1.00 0.00 C ATOM 584 CG PHE A 461 -3.039 1.327 -2.225 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.129 0.126 -1.539 1.00 0.00 C ATOM 586 CD2 PHE A 461 -4.195 2.058 -2.444 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.348 -0.336 -1.081 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.418 1.601 -1.988 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.494 0.403 -1.305 1.00 0.00 C ATOM 0 H PHE A 461 -1.277 -0.650 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.940 1.585 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.949 1.612 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.758 2.910 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -2.236 -0.455 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.141 2.996 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.405 -1.274 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -6.312 2.180 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.448 0.044 -0.947 1.00 0.00 H new ATOM 599 N GLY A 462 1.090 1.103 -3.593 1.00 0.00 N ATOM 600 CA GLY A 462 2.489 1.418 -3.811 1.00 0.00 C ATOM 601 C GLY A 462 3.246 1.626 -2.514 1.00 0.00 C ATOM 602 O GLY A 462 2.900 1.047 -1.486 1.00 0.00 O ATOM 0 H GLY A 462 0.909 0.480 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.956 0.611 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.565 2.318 -4.421 1.00 0.00 H new ATOM 606 N ASN A 463 4.284 2.455 -2.563 1.00 0.00 N ATOM 607 CA ASN A 463 5.094 2.736 -1.384 1.00 0.00 C ATOM 608 C ASN A 463 4.212 3.100 -0.193 1.00 0.00 C ATOM 609 O ASN A 463 3.388 4.012 -0.274 1.00 0.00 O ATOM 610 CB ASN A 463 6.076 3.874 -1.672 1.00 0.00 C ATOM 611 CG ASN A 463 6.662 3.791 -3.068 1.00 0.00 C ATOM 612 OD1 ASN A 463 6.000 4.123 -4.052 1.00 0.00 O ATOM 613 ND2 ASN A 463 7.910 3.346 -3.160 1.00 0.00 N ATOM 0 H ASN A 463 4.584 2.944 -3.407 1.00 0.00 H new ATOM 0 HA ASN A 463 5.656 1.835 -1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 463 5.566 4.830 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.883 3.848 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.358 3.268 -4.073 1.00 0.00 H new ATOM 0 HD22 ASN A 463 8.421 3.082 -2.317 1.00 0.00 H new ATOM 620 N ILE A 464 4.392 2.383 0.911 1.00 0.00 N ATOM 621 CA ILE A 464 3.614 2.631 2.118 1.00 0.00 C ATOM 622 C ILE A 464 4.485 2.522 3.365 1.00 0.00 C ATOM 623 O ILE A 464 5.649 2.130 3.288 1.00 0.00 O ATOM 624 CB ILE A 464 2.435 1.648 2.241 1.00 0.00 C ATOM 625 CG1 ILE A 464 2.948 0.239 2.547 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.608 1.651 0.964 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.870 -0.704 3.034 1.00 0.00 C ATOM 0 H ILE A 464 5.070 1.626 0.994 1.00 0.00 H new ATOM 0 HA ILE A 464 3.223 3.645 2.038 1.00 0.00 H new ATOM 0 HB ILE A 464 1.797 1.969 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.404 -0.176 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.732 0.302 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.778 0.951 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.218 2.653 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.234 1.351 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.305 -1.684 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.430 -0.311 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.097 -0.797 2.272 1.00 0.00 H new ATOM 639 N GLN A 465 3.912 2.869 4.513 1.00 0.00 N ATOM 640 CA GLN A 465 4.636 2.809 5.777 1.00 0.00 C ATOM 641 C GLN A 465 3.982 1.816 6.732 1.00 0.00 C ATOM 642 O GLN A 465 2.944 2.105 7.328 1.00 0.00 O ATOM 643 CB GLN A 465 4.693 4.194 6.423 1.00 0.00 C ATOM 644 CG GLN A 465 5.737 4.310 7.522 1.00 0.00 C ATOM 645 CD GLN A 465 5.446 5.443 8.487 1.00 0.00 C ATOM 646 OE1 GLN A 465 4.440 6.141 8.357 1.00 0.00 O ATOM 647 NE2 GLN A 465 6.327 5.632 9.462 1.00 0.00 N ATOM 0 H GLN A 465 2.949 3.195 4.594 1.00 0.00 H new ATOM 0 HA GLN A 465 5.651 2.471 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 465 4.904 4.936 5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.713 4.433 6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.784 3.371 8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.717 4.464 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 465 7.147 5.030 9.532 1.00 0.00 H new ATOM 0 HE22 GLN A 465 6.184 6.380 10.141 1.00 0.00 H new ATOM 656 N ILE A 466 4.595 0.645 6.872 1.00 0.00 N ATOM 657 CA ILE A 466 4.072 -0.389 7.756 1.00 0.00 C ATOM 658 C ILE A 466 4.561 -0.189 9.186 1.00 0.00 C ATOM 659 O ILE A 466 5.695 -0.533 9.519 1.00 0.00 O ATOM 660 CB ILE A 466 4.479 -1.796 7.278 1.00 0.00 C ATOM 661 CG1 ILE A 466 4.040 -2.012 5.828 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.875 -2.858 8.184 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.702 -3.202 5.168 1.00 0.00 C ATOM 0 H ILE A 466 5.454 0.389 6.385 1.00 0.00 H new ATOM 0 HA ILE A 466 2.985 -0.305 7.732 1.00 0.00 H new ATOM 0 HB ILE A 466 5.565 -1.881 7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.959 -2.146 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.265 -1.115 5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 466 4.171 -3.847 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.232 -2.712 9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.788 -2.777 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.344 -3.295 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.783 -3.061 5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.456 -4.108 5.721 1.00 0.00 H new ATOM 675 N SER A 467 3.697 0.367 10.029 1.00 0.00 N ATOM 676 CA SER A 467 4.041 0.615 11.424 1.00 0.00 C ATOM 677 C SER A 467 3.689 -0.590 12.292 1.00 0.00 C ATOM 678 O SER A 467 2.519 -0.940 12.443 1.00 0.00 O ATOM 679 CB SER A 467 3.313 1.858 11.938 1.00 0.00 C ATOM 680 OG SER A 467 4.087 3.026 11.727 1.00 0.00 O ATOM 0 H SER A 467 2.753 0.654 9.770 1.00 0.00 H new ATOM 0 HA SER A 467 5.116 0.783 11.483 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.353 1.957 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.101 1.746 13.001 1.00 0.00 H new ATOM 0 HG SER A 467 3.599 3.807 12.063 1.00 0.00 H new ATOM 686 N TRP A 468 4.711 -1.219 12.861 1.00 0.00 N ATOM 687 CA TRP A 468 4.511 -2.385 13.715 1.00 0.00 C ATOM 688 C TRP A 468 4.127 -1.965 15.129 1.00 0.00 C ATOM 689 O TRP A 468 4.955 -1.448 15.879 1.00 0.00 O ATOM 690 CB TRP A 468 5.779 -3.240 13.750 1.00 0.00 C ATOM 691 CG TRP A 468 6.054 -3.949 12.459 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.711 -3.446 11.372 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.679 -5.288 12.119 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.766 -4.392 10.377 1.00 0.00 N ATOM 695 CE2 TRP A 468 6.141 -5.531 10.811 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.999 -6.305 12.794 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.943 -6.749 10.166 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.803 -7.514 12.152 1.00 0.00 C ATOM 699 CH2 TRP A 468 5.274 -7.728 10.850 1.00 0.00 C ATOM 0 H TRP A 468 5.686 -0.942 12.747 1.00 0.00 H new ATOM 0 HA TRP A 468 3.695 -2.975 13.297 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.630 -2.605 13.996 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.690 -3.976 14.549 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.126 -2.451 11.305 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.202 -4.266 9.463 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.633 -6.150 13.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.304 -6.915 9.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 4.278 -8.307 12.663 1.00 0.00 H new ATOM 0 HH2 TRP A 468 5.106 -8.684 10.377 1.00 0.00 H new ATOM 710 N ILE A 469 2.867 -2.189 15.486 1.00 0.00 N ATOM 711 CA ILE A 469 2.374 -1.834 16.811 1.00 0.00 C ATOM 712 C ILE A 469 2.532 -2.996 17.786 1.00 0.00 C ATOM 713 O ILE A 469 3.366 -2.952 18.691 1.00 0.00 O ATOM 714 CB ILE A 469 0.893 -1.413 16.768 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.647 -0.457 15.599 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.487 -0.767 18.083 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.750 -0.551 15.026 1.00 0.00 C ATOM 0 H ILE A 469 2.169 -2.615 14.876 1.00 0.00 H new ATOM 0 HA ILE A 469 2.973 -0.990 17.154 1.00 0.00 H new ATOM 0 HB ILE A 469 0.281 -2.303 16.620 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.826 0.565 15.932 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.370 -0.667 14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.562 -0.475 18.036 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.630 -1.478 18.897 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.102 0.116 18.260 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.853 0.154 14.201 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.927 -1.563 14.662 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.478 -0.312 15.801 1.00 0.00 H new ATOM 729 N ASP A 470 1.729 -4.036 17.593 1.00 0.00 N ATOM 730 CA ASP A 470 1.781 -5.213 18.453 1.00 0.00 C ATOM 731 C ASP A 470 2.061 -6.471 17.637 1.00 0.00 C ATOM 732 O ASP A 470 2.303 -6.400 16.432 1.00 0.00 O ATOM 733 CB ASP A 470 0.466 -5.369 19.219 1.00 0.00 C ATOM 734 CG ASP A 470 0.176 -4.185 20.119 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.123 -3.677 20.756 1.00 0.00 O ATOM 736 OD2 ASP A 470 -0.998 -3.765 20.188 1.00 0.00 O ATOM 0 H ASP A 470 1.034 -4.088 16.848 1.00 0.00 H new ATOM 0 HA ASP A 470 2.594 -5.076 19.166 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.352 -5.491 18.509 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.505 -6.278 19.820 1.00 0.00 H new ATOM 741 N ASP A 471 2.028 -7.620 18.301 1.00 0.00 N ATOM 742 CA ASP A 471 2.278 -8.895 17.638 1.00 0.00 C ATOM 743 C ASP A 471 1.225 -9.167 16.568 1.00 0.00 C ATOM 744 O ASP A 471 1.526 -9.723 15.511 1.00 0.00 O ATOM 745 CB ASP A 471 2.291 -10.032 18.660 1.00 0.00 C ATOM 746 CG ASP A 471 3.197 -9.741 19.839 1.00 0.00 C ATOM 747 OD1 ASP A 471 2.751 -9.041 20.771 1.00 0.00 O ATOM 748 OD2 ASP A 471 4.354 -10.213 19.830 1.00 0.00 O ATOM 0 H ASP A 471 1.830 -7.696 19.299 1.00 0.00 H new ATOM 0 HA ASP A 471 3.254 -8.840 17.156 1.00 0.00 H new ATOM 0 HB2 ASP A 471 1.277 -10.205 19.019 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.618 -10.951 18.173 1.00 0.00 H new ATOM 753 N THR A 472 -0.013 -8.771 16.849 1.00 0.00 N ATOM 754 CA THR A 472 -1.112 -8.974 15.913 1.00 0.00 C ATOM 755 C THR A 472 -1.769 -7.650 15.542 1.00 0.00 C ATOM 756 O THR A 472 -2.906 -7.620 15.071 1.00 0.00 O ATOM 757 CB THR A 472 -2.180 -9.918 16.497 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.524 -9.507 17.825 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.679 -11.354 16.518 1.00 0.00 C ATOM 0 H THR A 472 -0.279 -8.308 17.718 1.00 0.00 H new ATOM 0 HA THR A 472 -0.686 -9.429 15.019 1.00 0.00 H new ATOM 0 HB THR A 472 -3.064 -9.868 15.862 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.205 -10.111 18.188 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.450 -12.002 16.934 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.446 -11.673 15.502 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.781 -11.417 17.133 1.00 0.00 H new ATOM 767 N SER A 473 -1.046 -6.555 15.755 1.00 0.00 N ATOM 768 CA SER A 473 -1.560 -5.226 15.445 1.00 0.00 C ATOM 769 C SER A 473 -0.540 -4.421 14.646 1.00 0.00 C ATOM 770 O SER A 473 0.627 -4.328 15.024 1.00 0.00 O ATOM 771 CB SER A 473 -1.919 -4.482 16.733 1.00 0.00 C ATOM 772 OG SER A 473 -2.517 -5.353 17.676 1.00 0.00 O ATOM 0 H SER A 473 -0.102 -6.562 16.141 1.00 0.00 H new ATOM 0 HA SER A 473 -2.458 -5.343 14.839 1.00 0.00 H new ATOM 0 HB2 SER A 473 -1.021 -4.038 17.162 1.00 0.00 H new ATOM 0 HB3 SER A 473 -2.602 -3.663 16.505 1.00 0.00 H new ATOM 0 HG SER A 473 -2.735 -4.853 18.490 1.00 0.00 H new ATOM 778 N ALA A 474 -0.990 -3.841 13.538 1.00 0.00 N ATOM 779 CA ALA A 474 -0.118 -3.042 12.686 1.00 0.00 C ATOM 780 C ALA A 474 -0.855 -1.827 12.133 1.00 0.00 C ATOM 781 O ALA A 474 -2.059 -1.672 12.338 1.00 0.00 O ATOM 782 CB ALA A 474 0.430 -3.891 11.549 1.00 0.00 C ATOM 0 H ALA A 474 -1.953 -3.910 13.210 1.00 0.00 H new ATOM 0 HA ALA A 474 0.714 -2.685 13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 474 1.080 -3.282 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 474 1.000 -4.725 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.396 -4.276 10.951 1.00 0.00 H new ATOM 788 N PHE A 475 -0.124 -0.966 11.433 1.00 0.00 N ATOM 789 CA PHE A 475 -0.708 0.237 10.852 1.00 0.00 C ATOM 790 C PHE A 475 -0.249 0.422 9.408 1.00 0.00 C ATOM 791 O PHE A 475 0.876 0.071 9.053 1.00 0.00 O ATOM 792 CB PHE A 475 -0.328 1.466 11.681 1.00 0.00 C ATOM 793 CG PHE A 475 -1.312 1.781 12.771 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.673 1.776 12.516 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.875 2.083 14.051 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.582 2.065 13.517 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.778 2.373 15.056 1.00 0.00 C ATOM 798 CZ PHE A 475 -3.133 2.365 14.788 1.00 0.00 C ATOM 0 H PHE A 475 0.874 -1.079 11.254 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.792 0.124 10.859 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.655 1.305 12.125 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.242 2.328 11.020 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -3.029 1.544 11.523 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.183 2.092 14.266 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.641 2.056 13.305 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.425 2.606 16.050 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.840 2.593 15.572 1.00 0.00 H new ATOM 808 N VAL A 476 -1.129 0.976 8.580 1.00 0.00 N ATOM 809 CA VAL A 476 -0.815 1.209 7.176 1.00 0.00 C ATOM 810 C VAL A 476 -1.162 2.635 6.764 1.00 0.00 C ATOM 811 O VAL A 476 -2.317 3.053 6.847 1.00 0.00 O ATOM 812 CB VAL A 476 -1.569 0.225 6.262 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.194 0.454 4.805 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.284 -1.211 6.675 1.00 0.00 C ATOM 0 H VAL A 476 -2.065 1.272 8.858 1.00 0.00 H new ATOM 0 HA VAL A 476 0.257 1.052 7.061 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.639 0.404 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.737 -0.250 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.454 1.473 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.122 0.304 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.825 -1.893 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.214 -1.406 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.608 -1.365 7.704 1.00 0.00 H new ATOM 824 N SER A 477 -0.153 3.379 6.319 1.00 0.00 N ATOM 825 CA SER A 477 -0.351 4.761 5.898 1.00 0.00 C ATOM 826 C SER A 477 -0.291 4.878 4.378 1.00 0.00 C ATOM 827 O SER A 477 0.524 4.225 3.724 1.00 0.00 O ATOM 828 CB SER A 477 0.707 5.666 6.533 1.00 0.00 C ATOM 829 OG SER A 477 1.898 5.674 5.766 1.00 0.00 O ATOM 0 H SER A 477 0.809 3.048 6.241 1.00 0.00 H new ATOM 0 HA SER A 477 -1.339 5.080 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.318 6.681 6.618 1.00 0.00 H new ATOM 0 HB3 SER A 477 0.924 5.322 7.544 1.00 0.00 H new ATOM 0 HG SER A 477 2.557 6.261 6.192 1.00 0.00 H new ATOM 835 N LEU A 478 -1.159 5.716 3.821 1.00 0.00 N ATOM 836 CA LEU A 478 -1.206 5.921 2.377 1.00 0.00 C ATOM 837 C LEU A 478 -0.810 7.349 2.017 1.00 0.00 C ATOM 838 O LEU A 478 -0.513 8.161 2.893 1.00 0.00 O ATOM 839 CB LEU A 478 -2.608 5.618 1.845 1.00 0.00 C ATOM 840 CG LEU A 478 -3.109 4.188 2.049 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.592 4.091 1.726 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.310 3.216 1.194 1.00 0.00 C ATOM 0 H LEU A 478 -1.839 6.264 4.347 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.493 5.239 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.311 6.300 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.625 5.839 0.778 1.00 0.00 H new ATOM 0 HG LEU A 478 -2.968 3.920 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.931 3.066 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.152 4.758 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.758 4.379 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.680 2.203 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.419 3.482 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.258 3.265 1.474 1.00 0.00 H new ATOM 854 N SER A 479 -0.811 7.649 0.722 1.00 0.00 N ATOM 855 CA SER A 479 -0.450 8.979 0.245 1.00 0.00 C ATOM 856 C SER A 479 -1.697 9.800 -0.069 1.00 0.00 C ATOM 857 O SER A 479 -1.666 11.030 -0.041 1.00 0.00 O ATOM 858 CB SER A 479 0.433 8.876 -1.000 1.00 0.00 C ATOM 859 OG SER A 479 -0.318 8.453 -2.125 1.00 0.00 O ATOM 0 H SER A 479 -1.058 6.989 -0.016 1.00 0.00 H new ATOM 0 HA SER A 479 0.107 9.483 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 479 0.890 9.844 -1.207 1.00 0.00 H new ATOM 0 HB3 SER A 479 1.246 8.173 -0.816 1.00 0.00 H new ATOM 0 HG SER A 479 0.269 8.397 -2.908 1.00 0.00 H new ATOM 865 N GLN A 480 -2.793 9.109 -0.368 1.00 0.00 N ATOM 866 CA GLN A 480 -4.051 9.774 -0.689 1.00 0.00 C ATOM 867 C GLN A 480 -5.192 9.213 0.153 1.00 0.00 C ATOM 868 O GLN A 480 -5.256 8.018 0.439 1.00 0.00 O ATOM 869 CB GLN A 480 -4.372 9.615 -2.176 1.00 0.00 C ATOM 870 CG GLN A 480 -3.772 10.706 -3.048 1.00 0.00 C ATOM 871 CD GLN A 480 -4.637 11.949 -3.105 1.00 0.00 C ATOM 872 OE1 GLN A 480 -5.848 11.868 -3.315 1.00 0.00 O ATOM 873 NE2 GLN A 480 -4.020 13.110 -2.917 1.00 0.00 N ATOM 0 H GLN A 480 -2.835 8.090 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 480 -3.942 10.834 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.006 8.647 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.454 9.611 -2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -2.787 10.971 -2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -3.629 10.321 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -3.015 13.131 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -4.551 13.980 -2.944 1.00 0.00 H new ATOM 882 N PRO A 481 -6.117 10.096 0.560 1.00 0.00 N ATOM 883 CA PRO A 481 -7.274 9.712 1.374 1.00 0.00 C ATOM 884 C PRO A 481 -8.278 8.871 0.594 1.00 0.00 C ATOM 885 O PRO A 481 -8.888 7.952 1.140 1.00 0.00 O ATOM 886 CB PRO A 481 -7.893 11.056 1.767 1.00 0.00 C ATOM 887 CG PRO A 481 -7.467 11.997 0.694 1.00 0.00 C ATOM 888 CD PRO A 481 -6.105 11.537 0.255 1.00 0.00 C ATOM 0 HA PRO A 481 -6.987 9.094 2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -8.979 10.989 1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -7.540 11.384 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.170 11.983 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -7.432 13.021 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.941 11.722 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.312 12.055 0.795 1.00 0.00 H new ATOM 896 N GLU A 482 -8.445 9.191 -0.685 1.00 0.00 N ATOM 897 CA GLU A 482 -9.377 8.464 -1.539 1.00 0.00 C ATOM 898 C GLU A 482 -9.122 6.961 -1.466 1.00 0.00 C ATOM 899 O GLU A 482 -10.046 6.174 -1.266 1.00 0.00 O ATOM 900 CB GLU A 482 -9.256 8.943 -2.987 1.00 0.00 C ATOM 901 CG GLU A 482 -10.049 10.206 -3.278 1.00 0.00 C ATOM 902 CD GLU A 482 -10.410 10.343 -4.745 1.00 0.00 C ATOM 903 OE1 GLU A 482 -9.587 9.949 -5.597 1.00 0.00 O ATOM 904 OE2 GLU A 482 -11.516 10.844 -5.040 1.00 0.00 O ATOM 0 H GLU A 482 -7.947 9.949 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.388 8.662 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -8.205 9.123 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.595 8.150 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -10.962 10.203 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -9.468 11.075 -2.968 1.00 0.00 H new ATOM 911 N GLN A 483 -7.861 6.572 -1.631 1.00 0.00 N ATOM 912 CA GLN A 483 -7.485 5.164 -1.585 1.00 0.00 C ATOM 913 C GLN A 483 -8.076 4.482 -0.355 1.00 0.00 C ATOM 914 O GLN A 483 -8.423 3.302 -0.394 1.00 0.00 O ATOM 915 CB GLN A 483 -5.962 5.021 -1.580 1.00 0.00 C ATOM 916 CG GLN A 483 -5.293 5.589 -2.821 1.00 0.00 C ATOM 917 CD GLN A 483 -6.087 5.322 -4.085 1.00 0.00 C ATOM 918 OE1 GLN A 483 -6.607 6.246 -4.712 1.00 0.00 O ATOM 919 NE2 GLN A 483 -6.185 4.054 -4.466 1.00 0.00 N ATOM 0 H GLN A 483 -7.084 7.211 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.886 4.678 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.561 5.523 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.705 3.966 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.162 6.664 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -4.298 5.156 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -5.738 3.320 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -6.707 3.814 -5.309 1.00 0.00 H new ATOM 928 N VAL A 484 -8.187 5.233 0.736 1.00 0.00 N ATOM 929 CA VAL A 484 -8.736 4.702 1.977 1.00 0.00 C ATOM 930 C VAL A 484 -10.014 3.911 1.719 1.00 0.00 C ATOM 931 O VAL A 484 -10.073 2.709 1.975 1.00 0.00 O ATOM 932 CB VAL A 484 -9.037 5.827 2.985 1.00 0.00 C ATOM 933 CG1 VAL A 484 -9.639 5.256 4.260 1.00 0.00 C ATOM 934 CG2 VAL A 484 -7.775 6.620 3.290 1.00 0.00 C ATOM 0 H VAL A 484 -7.904 6.212 0.785 1.00 0.00 H new ATOM 0 HA VAL A 484 -7.980 4.039 2.399 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.766 6.504 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -9.845 6.066 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.568 4.737 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -8.937 4.556 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.006 7.411 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.022 5.956 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.392 7.062 2.370 1.00 0.00 H new ATOM 944 N GLN A 485 -11.033 4.595 1.209 1.00 0.00 N ATOM 945 CA GLN A 485 -12.310 3.955 0.916 1.00 0.00 C ATOM 946 C GLN A 485 -12.106 2.666 0.127 1.00 0.00 C ATOM 947 O GLN A 485 -12.619 1.611 0.500 1.00 0.00 O ATOM 948 CB GLN A 485 -13.214 4.909 0.133 1.00 0.00 C ATOM 949 CG GLN A 485 -14.646 4.417 -0.001 1.00 0.00 C ATOM 950 CD GLN A 485 -15.173 3.799 1.278 1.00 0.00 C ATOM 951 OE1 GLN A 485 -15.745 2.708 1.265 1.00 0.00 O ATOM 952 NE2 GLN A 485 -14.983 4.494 2.394 1.00 0.00 N ATOM 0 H GLN A 485 -10.999 5.591 0.990 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.789 3.707 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -13.217 5.881 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.795 5.058 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -15.287 5.251 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.700 3.682 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -14.504 5.394 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -15.316 4.128 3.286 1.00 0.00 H new ATOM 961 N ILE A 486 -11.353 2.760 -0.964 1.00 0.00 N ATOM 962 CA ILE A 486 -11.080 1.601 -1.805 1.00 0.00 C ATOM 963 C ILE A 486 -10.563 0.430 -0.976 1.00 0.00 C ATOM 964 O ILE A 486 -11.092 -0.679 -1.052 1.00 0.00 O ATOM 965 CB ILE A 486 -10.052 1.931 -2.903 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.694 2.795 -3.990 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.486 0.652 -3.500 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.725 4.269 -3.652 1.00 0.00 C ATOM 0 H ILE A 486 -10.921 3.626 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 486 -12.024 1.323 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 486 -9.232 2.493 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -10.148 2.656 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.713 2.449 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.761 0.902 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.996 0.071 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.295 0.065 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -11.194 4.820 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -11.297 4.420 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.707 4.631 -3.508 1.00 0.00 H new ATOM 980 N ALA A 487 -9.528 0.685 -0.183 1.00 0.00 N ATOM 981 CA ALA A 487 -8.942 -0.347 0.663 1.00 0.00 C ATOM 982 C ALA A 487 -10.001 -1.004 1.541 1.00 0.00 C ATOM 983 O ALA A 487 -10.022 -2.225 1.699 1.00 0.00 O ATOM 984 CB ALA A 487 -7.833 0.242 1.522 1.00 0.00 C ATOM 0 H ALA A 487 -9.078 1.597 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.517 -1.114 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.404 -0.540 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.057 0.658 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.242 1.030 2.154 1.00 0.00 H new ATOM 990 N VAL A 488 -10.880 -0.187 2.112 1.00 0.00 N ATOM 991 CA VAL A 488 -11.943 -0.689 2.975 1.00 0.00 C ATOM 992 C VAL A 488 -12.948 -1.517 2.183 1.00 0.00 C ATOM 993 O VAL A 488 -13.356 -2.595 2.613 1.00 0.00 O ATOM 994 CB VAL A 488 -12.685 0.463 3.679 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.781 -0.082 4.583 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.709 1.321 4.469 1.00 0.00 C ATOM 0 H VAL A 488 -10.877 0.826 1.993 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.469 -1.320 3.727 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.152 1.090 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.294 0.746 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.495 -0.651 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.340 -0.732 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.250 2.130 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.212 0.708 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.964 1.741 3.793 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.343 -1.006 1.021 1.00 0.00 N ATOM 1007 CA ASN A 489 -14.301 -1.699 0.168 1.00 0.00 C ATOM 1008 C ASN A 489 -13.856 -3.135 -0.096 1.00 0.00 C ATOM 1009 O ASN A 489 -14.666 -4.062 -0.074 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.468 -0.953 -1.158 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.227 -1.767 -2.188 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -16.448 -1.660 -2.303 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.506 -2.587 -2.943 1.00 0.00 N ATOM 0 H ASN A 489 -13.014 -0.115 0.649 1.00 0.00 H new ATOM 0 HA ASN A 489 -15.259 -1.724 0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.994 -0.015 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.485 -0.697 -1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -14.962 -3.160 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.496 -2.644 -2.813 1.00 0.00 H new ATOM 1020 N THR A 490 -12.562 -3.311 -0.345 1.00 0.00 N ATOM 1021 CA THR A 490 -12.009 -4.632 -0.614 1.00 0.00 C ATOM 1022 C THR A 490 -11.925 -5.462 0.662 1.00 0.00 C ATOM 1023 O THR A 490 -12.061 -6.685 0.628 1.00 0.00 O ATOM 1024 CB THR A 490 -10.607 -4.536 -1.244 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.703 -3.899 -0.334 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.652 -3.758 -2.550 1.00 0.00 C ATOM 0 H THR A 490 -11.878 -2.555 -0.366 1.00 0.00 H new ATOM 0 HA THR A 490 -12.683 -5.120 -1.318 1.00 0.00 H new ATOM 0 HB THR A 490 -10.258 -5.547 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 490 -10.211 -3.364 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.650 -3.704 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 490 -11.317 -4.262 -3.251 1.00 0.00 H new ATOM 0 HG23 THR A 490 -11.021 -2.750 -2.360 1.00 0.00 H new ATOM 1034 N SER A 491 -11.700 -4.790 1.786 1.00 0.00 N ATOM 1035 CA SER A 491 -11.594 -5.467 3.073 1.00 0.00 C ATOM 1036 C SER A 491 -12.958 -5.972 3.535 1.00 0.00 C ATOM 1037 O SER A 491 -13.054 -6.783 4.456 1.00 0.00 O ATOM 1038 CB SER A 491 -11.005 -4.523 4.123 1.00 0.00 C ATOM 1039 OG SER A 491 -11.881 -3.440 4.383 1.00 0.00 O ATOM 0 H SER A 491 -11.588 -3.777 1.832 1.00 0.00 H new ATOM 0 HA SER A 491 -10.931 -6.323 2.952 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.817 -5.072 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 491 -10.044 -4.143 3.777 1.00 0.00 H new ATOM 0 HG SER A 491 -12.523 -3.354 3.647 1.00 0.00 H new ATOM 1045 N LYS A 492 -14.012 -5.486 2.888 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.371 -5.887 3.229 1.00 0.00 C ATOM 1047 C LYS A 492 -15.552 -7.392 3.064 1.00 0.00 C ATOM 1048 O LYS A 492 -15.947 -8.087 4.001 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.380 -5.142 2.351 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.601 -3.699 2.770 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.248 -2.889 1.659 1.00 0.00 C ATOM 1052 CE LYS A 492 -18.764 -3.004 1.696 1.00 0.00 C ATOM 1053 NZ LYS A 492 -19.251 -4.171 0.910 1.00 0.00 N ATOM 0 H LYS A 492 -13.950 -4.813 2.124 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.548 -5.630 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -16.035 -5.163 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.333 -5.670 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -17.232 -3.670 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -15.647 -3.248 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -16.959 -1.842 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -16.879 -3.235 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -19.096 -3.099 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -19.207 -2.090 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -20.223 -3.990 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -18.633 -4.317 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.238 -5.022 1.508 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.261 -7.891 1.868 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.392 -9.314 1.580 1.00 0.00 C ATOM 1069 C TYR A 493 -14.179 -10.087 2.089 1.00 0.00 C ATOM 1070 O TYR A 493 -14.310 -11.191 2.616 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.560 -9.538 0.076 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.261 -9.464 -0.696 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.446 -10.581 -0.830 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.850 -8.277 -1.289 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -12.259 -10.518 -1.534 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.665 -8.205 -1.995 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.873 -9.328 -2.115 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.691 -9.260 -2.816 1.00 0.00 O ATOM 0 H TYR A 493 -14.933 -7.330 1.082 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.278 -9.683 2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -16.016 -10.514 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.251 -8.793 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.745 -11.514 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.467 -7.396 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.637 -11.396 -1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -12.360 -7.274 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.568 -8.351 -3.162 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.999 -9.498 1.926 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.763 -10.128 2.371 1.00 0.00 C ATOM 1090 C ALA A 494 -11.925 -10.735 3.761 1.00 0.00 C ATOM 1091 O ALA A 494 -12.167 -10.022 4.734 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.624 -9.120 2.363 1.00 0.00 C ATOM 0 H ALA A 494 -12.873 -8.585 1.489 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.525 -10.934 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.707 -9.605 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.484 -8.737 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.864 -8.295 3.033 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.790 -12.055 3.845 1.00 0.00 N ATOM 1099 CA GLU A 495 -11.923 -12.756 5.116 1.00 0.00 C ATOM 1100 C GLU A 495 -10.554 -13.042 5.726 1.00 0.00 C ATOM 1101 O GLU A 495 -10.372 -12.950 6.940 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.691 -14.066 4.923 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.256 -15.172 5.869 1.00 0.00 C ATOM 1104 CD GLU A 495 -13.393 -16.103 6.242 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -13.702 -17.010 5.441 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -13.975 -15.924 7.332 1.00 0.00 O ATOM 0 H GLU A 495 -11.589 -12.660 3.048 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.479 -12.114 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -13.755 -13.877 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -12.560 -14.406 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.457 -15.749 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.843 -14.728 6.775 1.00 0.00 H new ATOM 1113 N SER A 496 -9.594 -13.390 4.874 1.00 0.00 N ATOM 1114 CA SER A 496 -8.243 -13.694 5.329 1.00 0.00 C ATOM 1115 C SER A 496 -7.733 -12.614 6.278 1.00 0.00 C ATOM 1116 O SER A 496 -7.153 -12.913 7.322 1.00 0.00 O ATOM 1117 CB SER A 496 -7.297 -13.826 4.133 1.00 0.00 C ATOM 1118 OG SER A 496 -7.311 -12.650 3.341 1.00 0.00 O ATOM 0 H SER A 496 -9.727 -13.468 3.866 1.00 0.00 H new ATOM 0 HA SER A 496 -8.272 -14.642 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 496 -6.284 -14.019 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 496 -7.591 -14.682 3.525 1.00 0.00 H new ATOM 0 HG SER A 496 -6.698 -12.758 2.584 1.00 0.00 H new ATOM 1124 N TYR A 497 -7.954 -11.358 5.908 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.515 -10.232 6.724 1.00 0.00 C ATOM 1126 C TYR A 497 -8.683 -9.304 7.045 1.00 0.00 C ATOM 1127 O TYR A 497 -9.775 -9.450 6.495 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.412 -9.453 6.005 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.861 -8.831 4.702 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.794 -7.802 4.686 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.354 -9.274 3.487 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.208 -7.231 3.498 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -6.761 -8.709 2.294 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.688 -7.688 2.305 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.097 -7.123 1.119 1.00 0.00 O ATOM 0 H TYR A 497 -8.435 -11.094 5.048 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.120 -10.627 7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.044 -8.668 6.665 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.575 -10.123 5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -8.203 -7.442 5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -5.629 -10.074 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.934 -6.432 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.356 -9.065 1.358 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.635 -7.558 0.373 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.443 -8.350 7.938 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.474 -7.398 8.334 1.00 0.00 C ATOM 1147 C ARG A 498 -8.908 -5.983 8.406 1.00 0.00 C ATOM 1148 O ARG A 498 -8.028 -5.696 9.218 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.068 -7.790 9.688 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.354 -7.052 10.026 1.00 0.00 C ATOM 1151 CD ARG A 498 -11.724 -7.221 11.491 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.311 -8.531 11.760 1.00 0.00 N ATOM 1153 CZ ARG A 498 -13.101 -8.782 12.798 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -13.398 -7.819 13.658 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -13.597 -10.000 12.975 1.00 0.00 N ATOM 0 H ARG A 498 -7.544 -8.216 8.401 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.261 -7.419 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.262 -8.862 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.332 -7.596 10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.237 -5.992 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.164 -7.425 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -10.834 -7.089 12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.430 -6.442 11.779 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.103 -9.294 11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -13.020 -6.881 13.524 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -14.005 -8.015 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -13.372 -10.743 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -14.204 -10.193 13.772 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.418 -5.103 7.551 1.00 0.00 N ATOM 1170 CA ILE A 499 -8.964 -3.718 7.518 1.00 0.00 C ATOM 1171 C ILE A 499 -10.055 -2.770 8.003 1.00 0.00 C ATOM 1172 O ILE A 499 -11.236 -2.970 7.719 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.530 -3.301 6.100 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.497 -4.286 5.549 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -7.969 -1.887 6.113 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.068 -3.981 4.131 1.00 0.00 C ATOM 0 H ILE A 499 -10.146 -5.324 6.872 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.105 -3.652 8.186 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.403 -3.318 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.619 -4.279 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.912 -5.293 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.667 -1.606 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.733 -1.196 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.105 -1.845 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.335 -4.719 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.936 -4.017 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.623 -2.987 4.091 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.652 -1.737 8.735 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.596 -0.756 9.258 1.00 0.00 C ATOM 1190 C GLN A 500 -9.937 0.611 9.402 1.00 0.00 C ATOM 1191 O GLN A 500 -8.711 0.721 9.448 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.144 -1.216 10.610 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.125 -1.143 11.737 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.501 -2.010 12.921 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -11.129 -1.545 13.872 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.118 -3.281 12.870 1.00 0.00 N ATOM 0 H GLN A 500 -8.678 -1.557 8.980 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.420 -0.668 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -12.006 -0.602 10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.499 -2.242 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.150 -1.452 11.360 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -10.026 -0.109 12.066 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.599 -3.625 12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.343 -3.913 13.639 1.00 0.00 H new ATOM 1205 N THR A 501 -10.758 1.654 9.473 1.00 0.00 N ATOM 1206 CA THR A 501 -10.255 3.015 9.610 1.00 0.00 C ATOM 1207 C THR A 501 -9.692 3.255 11.006 1.00 0.00 C ATOM 1208 O THR A 501 -10.200 2.720 11.992 1.00 0.00 O ATOM 1209 CB THR A 501 -11.359 4.053 9.329 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.515 3.766 10.123 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.737 4.055 7.855 1.00 0.00 C ATOM 0 H THR A 501 -11.775 1.582 9.438 1.00 0.00 H new ATOM 0 HA THR A 501 -9.459 3.133 8.875 1.00 0.00 H new ATOM 0 HB THR A 501 -10.975 5.039 9.591 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.211 4.431 9.940 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.518 4.795 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.861 4.303 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 501 -12.103 3.068 7.572 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.640 4.063 11.083 1.00 0.00 N ATOM 1220 CA TYR A 502 -8.007 4.373 12.360 1.00 0.00 C ATOM 1221 C TYR A 502 -9.049 4.752 13.407 1.00 0.00 C ATOM 1222 O TYR A 502 -9.078 4.190 14.502 1.00 0.00 O ATOM 1223 CB TYR A 502 -7.000 5.512 12.190 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.197 5.801 13.438 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -6.685 6.657 14.418 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -4.952 5.218 13.638 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -5.954 6.925 15.560 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -4.216 5.479 14.777 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.721 6.334 15.735 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.991 6.597 16.871 1.00 0.00 O ATOM 0 H TYR A 502 -8.208 4.515 10.277 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.483 3.481 12.703 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.317 5.264 11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.533 6.416 11.893 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -7.651 7.120 14.285 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -4.553 4.549 12.890 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -6.347 7.594 16.311 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -3.250 5.016 14.917 1.00 0.00 H new ATOM 0 HH TYR A 502 -3.147 6.101 16.839 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.903 5.710 13.063 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.949 6.164 13.971 1.00 0.00 C ATOM 1242 C ALA A 503 -11.815 4.998 14.437 1.00 0.00 C ATOM 1243 O ALA A 503 -12.179 4.914 15.610 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.807 7.226 13.300 1.00 0.00 C ATOM 0 H ALA A 503 -9.891 6.187 12.162 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.470 6.601 14.848 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.584 7.556 13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.183 8.076 13.023 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.269 6.808 12.406 1.00 0.00 H new ATOM 1250 N GLU A 504 -12.142 4.102 13.511 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.967 2.943 13.828 1.00 0.00 C ATOM 1252 C GLU A 504 -12.286 2.059 14.869 1.00 0.00 C ATOM 1253 O GLU A 504 -12.918 1.606 15.824 1.00 0.00 O ATOM 1254 CB GLU A 504 -13.254 2.131 12.563 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.510 2.571 11.830 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.775 2.271 12.609 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -16.025 2.956 13.623 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.517 1.351 12.204 1.00 0.00 O ATOM 0 H GLU A 504 -11.848 4.157 12.536 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.909 3.303 14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -12.402 2.212 11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -13.349 1.079 12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.455 3.642 11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.556 2.070 10.863 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.994 1.817 14.677 1.00 0.00 N ATOM 1266 CA TYR A 505 -10.227 0.985 15.596 1.00 0.00 C ATOM 1267 C TYR A 505 -10.169 1.617 16.984 1.00 0.00 C ATOM 1268 O TYR A 505 -10.579 1.009 17.973 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.810 0.771 15.062 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.829 0.307 16.115 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -7.953 -0.945 16.705 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.778 1.120 16.520 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -7.060 -1.372 17.668 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.879 0.701 17.482 1.00 0.00 C ATOM 1275 CZ TYR A 505 -6.025 -0.546 18.053 1.00 0.00 C ATOM 1276 OH TYR A 505 -5.132 -0.969 19.011 1.00 0.00 O ATOM 0 H TYR A 505 -10.456 2.185 13.893 1.00 0.00 H new ATOM 0 HA TYR A 505 -10.728 0.020 15.676 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.841 0.036 14.258 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -8.450 1.704 14.628 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -8.762 -1.595 16.405 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.661 2.097 16.075 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -7.172 -2.348 18.117 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -5.067 1.346 17.785 1.00 0.00 H new ATOM 0 HH TYR A 505 -4.463 -0.270 19.167 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.658 2.842 17.048 1.00 0.00 N ATOM 1287 CA VAL A 506 -9.547 3.559 18.313 1.00 0.00 C ATOM 1288 C VAL A 506 -10.913 3.732 18.968 1.00 0.00 C ATOM 1289 O VAL A 506 -11.048 3.617 20.185 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.905 4.945 18.118 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.471 4.805 17.630 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.727 5.782 17.150 1.00 0.00 C ATOM 0 H VAL A 506 -9.314 3.359 16.239 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.909 2.959 18.962 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.888 5.457 19.080 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -7.033 5.795 17.498 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.890 4.246 18.364 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.461 4.274 16.678 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -9.258 6.758 17.024 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.778 5.277 16.185 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.734 5.911 17.546 1.00 0.00 H new