USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 489 ASN : amide:sc= -0.658 K(o=-0.68,f=-1.8!) USER MOD Set 1.2: A 492 LYS NZ :NH3+ 156:sc= -0.0258 (180deg=-0.697) USER MOD Set 2.1: A 442 HIS : no HD1:sc= -2.79 K(o=-1.8,f=-7.8!) USER MOD Set 2.2: A 473 SER OG : rot 14:sc= 0.975 USER MOD Single : A 439 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.41) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.042 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 -43:sc= -0.0465! USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -0.747 K(o=-0.75,f=-2.8!) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= -0.388 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= -0.486 K(o=-0.49,f=-3!) USER MOD Single : A 485 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.44) USER MOD Single : A 490 THR OG1 : rot -19:sc= 0.255 USER MOD Single : A 491 SER OG : rot -33:sc= -0.0476 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 : amide:sc= -0.0208 X(o=-0.021,f=-0.23) USER MOD Single : A 501 THR OG1 : rot 180:sc= 0 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 -6.590 9.215 7.327 1.00 0.00 N ATOM 208 CA HIS A 439 -5.864 8.589 6.228 1.00 0.00 C ATOM 209 C HIS A 439 -5.178 7.307 6.690 1.00 0.00 C ATOM 210 O HIS A 439 -4.960 6.388 5.900 1.00 0.00 O ATOM 211 CB HIS A 439 -4.828 9.558 5.656 1.00 0.00 C ATOM 212 CG HIS A 439 -4.078 10.320 6.704 1.00 0.00 C ATOM 213 ND1 HIS A 439 -4.394 11.612 7.066 1.00 0.00 N ATOM 214 CD2 HIS A 439 -3.020 9.964 7.471 1.00 0.00 C ATOM 215 CE1 HIS A 439 -3.563 12.019 8.009 1.00 0.00 C ATOM 216 NE2 HIS A 439 -2.719 11.037 8.273 1.00 0.00 N ATOM 0 HA HIS A 439 -6.582 8.335 5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -4.118 8.999 5.047 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -5.330 10.264 4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -2.508 9.013 7.455 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -3.572 12.989 8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -1.966 11.071 8.961 1.00 0.00 H new ATOM 225 N VAL A 440 -4.839 7.253 7.974 1.00 0.00 N ATOM 226 CA VAL A 440 -4.178 6.083 8.541 1.00 0.00 C ATOM 227 C VAL A 440 -5.144 4.910 8.662 1.00 0.00 C ATOM 228 O VAL A 440 -6.268 5.064 9.142 1.00 0.00 O ATOM 229 CB VAL A 440 -3.586 6.392 9.930 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.015 5.130 10.559 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.522 7.474 9.826 1.00 0.00 C ATOM 0 H VAL A 440 -5.011 8.005 8.641 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.370 5.815 7.860 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.385 6.761 10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.601 5.367 11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.806 4.388 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.228 4.729 9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.115 7.680 10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.722 7.136 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.966 8.383 9.420 1.00 0.00 H new ATOM 241 N LEU A 441 -4.700 3.738 8.224 1.00 0.00 N ATOM 242 CA LEU A 441 -5.525 2.536 8.283 1.00 0.00 C ATOM 243 C LEU A 441 -4.992 1.560 9.326 1.00 0.00 C ATOM 244 O LEU A 441 -3.802 1.563 9.644 1.00 0.00 O ATOM 245 CB LEU A 441 -5.574 1.859 6.912 1.00 0.00 C ATOM 246 CG LEU A 441 -5.846 2.776 5.719 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.516 2.068 4.415 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.296 3.241 5.724 1.00 0.00 C ATOM 0 H LEU A 441 -3.773 3.594 7.824 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.534 2.832 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.624 1.352 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.346 1.090 6.937 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.204 3.652 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.716 2.736 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.463 1.786 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.132 1.174 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.472 3.893 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -7.956 2.376 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.499 3.788 6.645 1.00 0.00 H new ATOM 260 N HIS A 442 -5.879 0.723 9.855 1.00 0.00 N ATOM 261 CA HIS A 442 -5.497 -0.261 10.861 1.00 0.00 C ATOM 262 C HIS A 442 -5.877 -1.670 10.414 1.00 0.00 C ATOM 263 O HIS A 442 -7.054 -2.029 10.393 1.00 0.00 O ATOM 264 CB HIS A 442 -6.164 0.060 12.199 1.00 0.00 C ATOM 265 CG HIS A 442 -5.676 -0.790 13.331 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.289 -1.967 13.707 1.00 0.00 N ATOM 267 CD2 HIS A 442 -4.627 -0.630 14.170 1.00 0.00 C ATOM 268 CE1 HIS A 442 -5.638 -2.493 14.729 1.00 0.00 C ATOM 269 NE2 HIS A 442 -4.625 -1.700 15.030 1.00 0.00 N ATOM 0 H HIS A 442 -6.867 0.707 9.603 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.415 -0.217 10.984 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -5.988 1.108 12.441 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.242 -0.068 12.098 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -3.922 0.188 14.164 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -5.891 -3.414 15.233 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -3.951 -1.857 15.779 1.00 0.00 H new ATOM 278 N VAL A 443 -4.872 -2.463 10.058 1.00 0.00 N ATOM 279 CA VAL A 443 -5.101 -3.833 9.612 1.00 0.00 C ATOM 280 C VAL A 443 -4.682 -4.836 10.681 1.00 0.00 C ATOM 281 O VAL A 443 -3.514 -4.897 11.068 1.00 0.00 O ATOM 282 CB VAL A 443 -4.333 -4.135 8.311 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.780 -5.465 7.724 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.524 -3.009 7.306 1.00 0.00 C ATOM 0 H VAL A 443 -3.892 -2.181 10.069 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.170 -3.931 9.425 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.271 -4.206 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.227 -5.662 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.587 -6.263 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.847 -5.425 7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.975 -3.239 6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.584 -2.904 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.150 -2.076 7.729 1.00 0.00 H new ATOM 294 N THR A 444 -5.643 -5.623 11.155 1.00 0.00 N ATOM 295 CA THR A 444 -5.375 -6.623 12.180 1.00 0.00 C ATOM 296 C THR A 444 -5.113 -7.990 11.559 1.00 0.00 C ATOM 297 O THR A 444 -6.038 -8.665 11.107 1.00 0.00 O ATOM 298 CB THR A 444 -6.547 -6.739 13.173 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.790 -6.567 12.484 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.425 -5.700 14.277 1.00 0.00 C ATOM 0 H THR A 444 -6.614 -5.587 10.845 1.00 0.00 H new ATOM 0 HA THR A 444 -4.485 -6.294 12.717 1.00 0.00 H new ATOM 0 HB THR A 444 -6.516 -7.731 13.624 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.531 -6.644 13.121 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.263 -5.801 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.491 -5.852 14.818 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.433 -4.702 13.840 1.00 0.00 H new ATOM 308 N PHE A 445 -3.847 -8.394 11.539 1.00 0.00 N ATOM 309 CA PHE A 445 -3.464 -9.682 10.973 1.00 0.00 C ATOM 310 C PHE A 445 -2.753 -10.544 12.012 1.00 0.00 C ATOM 311 O PHE A 445 -2.164 -10.045 12.971 1.00 0.00 O ATOM 312 CB PHE A 445 -2.558 -9.478 9.757 1.00 0.00 C ATOM 313 CG PHE A 445 -1.411 -8.543 10.013 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.347 -8.932 10.811 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.397 -7.274 9.456 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.709 -8.073 11.049 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.343 -6.411 9.690 1.00 0.00 C ATOM 318 CZ PHE A 445 0.711 -6.811 10.487 1.00 0.00 C ATOM 0 H PHE A 445 -3.069 -7.848 11.908 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.372 -10.198 10.660 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.165 -10.444 9.441 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.154 -9.091 8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.343 -9.918 11.252 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.219 -6.956 8.832 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.532 -8.388 11.674 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.344 -5.425 9.250 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.536 -6.138 10.671 1.00 0.00 H new ATOM 328 N PRO A 446 -2.809 -11.870 11.819 1.00 0.00 N ATOM 329 CA PRO A 446 -2.176 -12.830 12.728 1.00 0.00 C ATOM 330 C PRO A 446 -0.654 -12.784 12.652 1.00 0.00 C ATOM 331 O PRO A 446 -0.081 -12.589 11.580 1.00 0.00 O ATOM 332 CB PRO A 446 -2.696 -14.182 12.234 1.00 0.00 C ATOM 333 CG PRO A 446 -3.026 -13.960 10.798 1.00 0.00 C ATOM 334 CD PRO A 446 -3.493 -12.534 10.697 1.00 0.00 C ATOM 0 HA PRO A 446 -2.414 -12.622 13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.944 -14.962 12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.574 -14.498 12.798 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.154 -14.131 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.802 -14.649 10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.220 -12.089 9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.577 -12.459 10.786 1.00 0.00 H new ATOM 342 N LYS A 447 -0.003 -12.966 13.796 1.00 0.00 N ATOM 343 CA LYS A 447 1.453 -12.947 13.860 1.00 0.00 C ATOM 344 C LYS A 447 2.059 -13.715 12.689 1.00 0.00 C ATOM 345 O LYS A 447 2.992 -13.242 12.042 1.00 0.00 O ATOM 346 CB LYS A 447 1.934 -13.550 15.182 1.00 0.00 C ATOM 347 CG LYS A 447 1.931 -15.068 15.196 1.00 0.00 C ATOM 348 CD LYS A 447 2.259 -15.615 16.575 1.00 0.00 C ATOM 349 CE LYS A 447 1.881 -17.083 16.698 1.00 0.00 C ATOM 350 NZ LYS A 447 2.121 -17.604 18.072 1.00 0.00 N ATOM 0 H LYS A 447 -0.462 -13.129 14.692 1.00 0.00 H new ATOM 0 HA LYS A 447 1.781 -11.909 13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.944 -13.195 15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.299 -13.187 15.990 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.953 -15.433 14.882 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.657 -15.441 14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 447 3.325 -15.495 16.771 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.729 -15.037 17.332 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.830 -17.210 16.440 1.00 0.00 H new ATOM 0 HE3 LYS A 447 2.458 -17.668 15.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.851 -18.607 18.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.129 -17.506 18.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.551 -17.063 18.753 1.00 0.00 H new ATOM 364 N GLU A 448 1.520 -14.901 12.423 1.00 0.00 N ATOM 365 CA GLU A 448 2.008 -15.733 11.329 1.00 0.00 C ATOM 366 C GLU A 448 2.412 -14.876 10.133 1.00 0.00 C ATOM 367 O GLU A 448 3.389 -15.174 9.445 1.00 0.00 O ATOM 368 CB GLU A 448 0.937 -16.742 10.910 1.00 0.00 C ATOM 369 CG GLU A 448 -0.110 -16.165 9.972 1.00 0.00 C ATOM 370 CD GLU A 448 -1.198 -17.163 9.628 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.495 -18.031 10.474 1.00 0.00 O ATOM 372 OE2 GLU A 448 -1.753 -17.075 8.512 1.00 0.00 O ATOM 0 H GLU A 448 0.746 -15.307 12.949 1.00 0.00 H new ATOM 0 HA GLU A 448 2.887 -16.273 11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.419 -17.590 10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.442 -17.125 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.561 -15.286 10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.374 -15.830 9.055 1.00 0.00 H new ATOM 379 N TRP A 449 1.653 -13.814 9.891 1.00 0.00 N ATOM 380 CA TRP A 449 1.931 -12.914 8.777 1.00 0.00 C ATOM 381 C TRP A 449 3.360 -12.385 8.848 1.00 0.00 C ATOM 382 O TRP A 449 4.071 -12.618 9.826 1.00 0.00 O ATOM 383 CB TRP A 449 0.942 -11.747 8.778 1.00 0.00 C ATOM 384 CG TRP A 449 -0.387 -12.096 8.180 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.038 -13.293 8.271 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.226 -11.238 7.398 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.232 -13.231 7.592 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.371 -11.982 7.049 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.123 -9.915 6.961 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.402 -11.444 6.282 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.147 -9.383 6.200 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.274 -10.146 5.868 1.00 0.00 C ATOM 0 H TRP A 449 0.841 -13.555 10.450 1.00 0.00 H new ATOM 0 HA TRP A 449 1.817 -13.477 7.851 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.793 -11.407 9.803 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.374 -10.913 8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.669 -14.160 8.798 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.905 -13.992 7.507 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.259 -9.319 7.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.271 -12.030 6.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -2.077 -8.362 5.856 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -4.058 -9.701 5.273 1.00 0.00 H new ATOM 403 N LYS A 450 3.775 -11.673 7.806 1.00 0.00 N ATOM 404 CA LYS A 450 5.119 -11.110 7.750 1.00 0.00 C ATOM 405 C LYS A 450 5.136 -9.826 6.926 1.00 0.00 C ATOM 406 O LYS A 450 4.238 -9.581 6.120 1.00 0.00 O ATOM 407 CB LYS A 450 6.095 -12.125 7.153 1.00 0.00 C ATOM 408 CG LYS A 450 6.217 -13.403 7.966 1.00 0.00 C ATOM 409 CD LYS A 450 7.112 -13.209 9.178 1.00 0.00 C ATOM 410 CE LYS A 450 8.582 -13.334 8.811 1.00 0.00 C ATOM 411 NZ LYS A 450 9.455 -13.358 10.018 1.00 0.00 N ATOM 0 H LYS A 450 3.200 -11.472 6.988 1.00 0.00 H new ATOM 0 HA LYS A 450 5.430 -10.873 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.772 -12.376 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.079 -11.664 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 450 5.227 -13.724 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 450 6.620 -14.198 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 450 6.927 -12.228 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 450 6.862 -13.949 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 450 8.736 -14.245 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 450 8.869 -12.499 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 10.449 -13.444 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 9.327 -12.477 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 9.198 -14.169 10.616 1.00 0.00 H new ATOM 425 N THR A 451 6.165 -9.010 7.132 1.00 0.00 N ATOM 426 CA THR A 451 6.300 -7.752 6.408 1.00 0.00 C ATOM 427 C THR A 451 6.062 -7.949 4.915 1.00 0.00 C ATOM 428 O THR A 451 5.165 -7.339 4.335 1.00 0.00 O ATOM 429 CB THR A 451 7.694 -7.131 6.617 1.00 0.00 C ATOM 430 OG1 THR A 451 7.901 -6.846 8.005 1.00 0.00 O ATOM 431 CG2 THR A 451 7.845 -5.854 5.803 1.00 0.00 C ATOM 0 H THR A 451 6.917 -9.198 7.795 1.00 0.00 H new ATOM 0 HA THR A 451 5.545 -7.074 6.807 1.00 0.00 H new ATOM 0 HB THR A 451 8.442 -7.849 6.279 1.00 0.00 H new ATOM 0 HG1 THR A 451 7.090 -6.446 8.381 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.837 -5.433 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.717 -6.080 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.089 -5.133 6.114 1.00 0.00 H new ATOM 439 N SER A 452 6.871 -8.805 4.299 1.00 0.00 N ATOM 440 CA SER A 452 6.750 -9.080 2.872 1.00 0.00 C ATOM 441 C SER A 452 5.285 -9.209 2.466 1.00 0.00 C ATOM 442 O SER A 452 4.868 -8.688 1.432 1.00 0.00 O ATOM 443 CB SER A 452 7.506 -10.360 2.512 1.00 0.00 C ATOM 444 OG SER A 452 8.901 -10.199 2.701 1.00 0.00 O ATOM 0 H SER A 452 7.617 -9.320 4.766 1.00 0.00 H new ATOM 0 HA SER A 452 7.187 -8.243 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.145 -11.184 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 452 7.305 -10.625 1.474 1.00 0.00 H new ATOM 0 HG SER A 452 9.361 -11.032 2.466 1.00 0.00 H new ATOM 450 N ASP A 453 4.509 -9.906 3.289 1.00 0.00 N ATOM 451 CA ASP A 453 3.090 -10.104 3.018 1.00 0.00 C ATOM 452 C ASP A 453 2.352 -8.769 2.988 1.00 0.00 C ATOM 453 O ASP A 453 1.591 -8.489 2.060 1.00 0.00 O ATOM 454 CB ASP A 453 2.470 -11.020 4.073 1.00 0.00 C ATOM 455 CG ASP A 453 1.312 -11.832 3.528 1.00 0.00 C ATOM 456 OD1 ASP A 453 1.567 -12.820 2.808 1.00 0.00 O ATOM 457 OD2 ASP A 453 0.150 -11.478 3.819 1.00 0.00 O ATOM 0 H ASP A 453 4.839 -10.343 4.149 1.00 0.00 H new ATOM 0 HA ASP A 453 2.994 -10.574 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 453 3.234 -11.696 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 453 2.124 -10.419 4.914 1.00 0.00 H new ATOM 462 N LEU A 454 2.580 -7.950 4.008 1.00 0.00 N ATOM 463 CA LEU A 454 1.935 -6.644 4.099 1.00 0.00 C ATOM 464 C LEU A 454 2.211 -5.812 2.851 1.00 0.00 C ATOM 465 O LEU A 454 1.285 -5.393 2.155 1.00 0.00 O ATOM 466 CB LEU A 454 2.425 -5.898 5.341 1.00 0.00 C ATOM 467 CG LEU A 454 1.705 -6.227 6.650 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.205 -6.027 6.499 1.00 0.00 C ATOM 469 CD2 LEU A 454 2.013 -7.653 7.084 1.00 0.00 C ATOM 0 H LEU A 454 3.206 -8.166 4.784 1.00 0.00 H new ATOM 0 HA LEU A 454 0.859 -6.802 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.487 -6.108 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.332 -4.828 5.158 1.00 0.00 H new ATOM 0 HG LEU A 454 2.066 -5.547 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.290 -6.266 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.001 -4.989 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.172 -6.682 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.493 -7.870 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.680 -8.348 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.087 -7.764 7.233 1.00 0.00 H new ATOM 481 N TYR A 455 3.488 -5.579 2.572 1.00 0.00 N ATOM 482 CA TYR A 455 3.885 -4.797 1.407 1.00 0.00 C ATOM 483 C TYR A 455 3.207 -5.318 0.144 1.00 0.00 C ATOM 484 O TYR A 455 2.562 -4.562 -0.583 1.00 0.00 O ATOM 485 CB TYR A 455 5.405 -4.834 1.235 1.00 0.00 C ATOM 486 CG TYR A 455 6.127 -3.744 1.994 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.756 -2.412 1.856 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.180 -4.045 2.849 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.414 -1.412 2.546 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.842 -3.052 3.544 1.00 0.00 C ATOM 491 CZ TYR A 455 7.456 -1.737 3.390 1.00 0.00 C ATOM 492 OH TYR A 455 8.113 -0.745 4.080 1.00 0.00 O ATOM 0 H TYR A 455 4.266 -5.920 3.136 1.00 0.00 H new ATOM 0 HA TYR A 455 3.569 -3.766 1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.776 -5.803 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.645 -4.747 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.939 -2.154 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.486 -5.073 2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 455 6.114 -0.381 2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.658 -3.304 4.205 1.00 0.00 H new ATOM 0 HH TYR A 455 8.820 -1.142 4.631 1.00 0.00 H new ATOM 502 N GLN A 456 3.357 -6.614 -0.109 1.00 0.00 N ATOM 503 CA GLN A 456 2.759 -7.237 -1.284 1.00 0.00 C ATOM 504 C GLN A 456 1.260 -6.962 -1.342 1.00 0.00 C ATOM 505 O GLN A 456 0.726 -6.596 -2.390 1.00 0.00 O ATOM 506 CB GLN A 456 3.013 -8.745 -1.273 1.00 0.00 C ATOM 507 CG GLN A 456 4.462 -9.120 -1.536 1.00 0.00 C ATOM 508 CD GLN A 456 4.959 -8.623 -2.879 1.00 0.00 C ATOM 509 OE1 GLN A 456 4.178 -8.155 -3.708 1.00 0.00 O ATOM 510 NE2 GLN A 456 6.264 -8.722 -3.102 1.00 0.00 N ATOM 0 H GLN A 456 3.887 -7.253 0.484 1.00 0.00 H new ATOM 0 HA GLN A 456 3.224 -6.804 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.712 -9.149 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.382 -9.217 -2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 456 5.089 -8.708 -0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.566 -10.204 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 456 6.875 -9.116 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 456 6.656 -8.404 -3.988 1.00 0.00 H new ATOM 519 N LEU A 457 0.586 -7.141 -0.212 1.00 0.00 N ATOM 520 CA LEU A 457 -0.852 -6.912 -0.134 1.00 0.00 C ATOM 521 C LEU A 457 -1.198 -5.479 -0.525 1.00 0.00 C ATOM 522 O LEU A 457 -1.951 -5.248 -1.472 1.00 0.00 O ATOM 523 CB LEU A 457 -1.359 -7.203 1.280 1.00 0.00 C ATOM 524 CG LEU A 457 -2.877 -7.279 1.447 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.378 -8.683 1.148 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.281 -6.854 2.851 1.00 0.00 C ATOM 0 H LEU A 457 1.012 -7.444 0.664 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.341 -7.588 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.930 -8.149 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.979 -6.429 1.947 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.336 -6.593 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.460 -8.717 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.122 -8.950 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.912 -9.390 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.365 -6.914 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.811 -7.514 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.957 -5.829 3.028 1.00 0.00 H new ATOM 538 N PHE A 458 -0.642 -4.520 0.208 1.00 0.00 N ATOM 539 CA PHE A 458 -0.890 -3.109 -0.064 1.00 0.00 C ATOM 540 C PHE A 458 -0.145 -2.657 -1.316 1.00 0.00 C ATOM 541 O PHE A 458 -0.348 -1.546 -1.805 1.00 0.00 O ATOM 542 CB PHE A 458 -0.465 -2.256 1.133 1.00 0.00 C ATOM 543 CG PHE A 458 -1.540 -2.101 2.171 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.517 -1.128 2.035 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.573 -2.928 3.281 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.508 -0.983 2.988 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.561 -2.788 4.237 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.529 -1.814 4.091 1.00 0.00 C ATOM 0 H PHE A 458 -0.017 -4.694 0.995 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.959 -2.979 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.413 -2.706 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.168 -1.269 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.504 -0.475 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.818 -3.691 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.264 -0.221 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.576 -3.440 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.301 -1.702 4.838 1.00 0.00 H new ATOM 558 N SER A 459 0.720 -3.526 -1.829 1.00 0.00 N ATOM 559 CA SER A 459 1.500 -3.216 -3.022 1.00 0.00 C ATOM 560 C SER A 459 0.627 -2.557 -4.085 1.00 0.00 C ATOM 561 O SER A 459 1.047 -1.610 -4.749 1.00 0.00 O ATOM 562 CB SER A 459 2.138 -4.487 -3.585 1.00 0.00 C ATOM 563 OG SER A 459 3.043 -4.182 -4.632 1.00 0.00 O ATOM 0 H SER A 459 0.899 -4.451 -1.437 1.00 0.00 H new ATOM 0 HA SER A 459 2.288 -2.518 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.662 -5.018 -2.790 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.360 -5.155 -3.955 1.00 0.00 H new ATOM 0 HG SER A 459 3.439 -5.011 -4.974 1.00 0.00 H new ATOM 569 N ALA A 460 -0.591 -3.065 -4.240 1.00 0.00 N ATOM 570 CA ALA A 460 -1.525 -2.526 -5.221 1.00 0.00 C ATOM 571 C ALA A 460 -1.352 -1.018 -5.373 1.00 0.00 C ATOM 572 O ALA A 460 -1.386 -0.488 -6.483 1.00 0.00 O ATOM 573 CB ALA A 460 -2.956 -2.858 -4.825 1.00 0.00 C ATOM 0 H ALA A 460 -0.954 -3.849 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.310 -2.989 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.643 -2.449 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.078 -3.940 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.174 -2.423 -3.850 1.00 0.00 H new ATOM 579 N PHE A 461 -1.167 -0.333 -4.249 1.00 0.00 N ATOM 580 CA PHE A 461 -0.990 1.115 -4.258 1.00 0.00 C ATOM 581 C PHE A 461 0.459 1.484 -4.564 1.00 0.00 C ATOM 582 O PHE A 461 0.733 2.256 -5.481 1.00 0.00 O ATOM 583 CB PHE A 461 -1.406 1.708 -2.910 1.00 0.00 C ATOM 584 CG PHE A 461 -2.748 1.232 -2.434 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.914 1.764 -2.961 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.845 0.253 -1.458 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.151 1.328 -2.526 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.079 -0.188 -1.019 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.233 0.351 -1.552 1.00 0.00 C ATOM 0 H PHE A 461 -1.136 -0.756 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.625 1.530 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.654 1.455 -2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.422 2.795 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.855 2.529 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.946 -0.170 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -6.052 1.750 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.141 -0.954 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.198 0.010 -1.208 1.00 0.00 H new ATOM 599 N GLY A 462 1.382 0.927 -3.786 1.00 0.00 N ATOM 600 CA GLY A 462 2.791 1.209 -3.989 1.00 0.00 C ATOM 601 C GLY A 462 3.532 1.425 -2.684 1.00 0.00 C ATOM 602 O GLY A 462 3.090 0.972 -1.629 1.00 0.00 O ATOM 0 H GLY A 462 1.179 0.286 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.250 0.382 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.895 2.096 -4.614 1.00 0.00 H new ATOM 606 N ASN A 463 4.665 2.116 -2.756 1.00 0.00 N ATOM 607 CA ASN A 463 5.471 2.389 -1.571 1.00 0.00 C ATOM 608 C ASN A 463 4.592 2.828 -0.404 1.00 0.00 C ATOM 609 O ASN A 463 3.830 3.789 -0.516 1.00 0.00 O ATOM 610 CB ASN A 463 6.512 3.468 -1.875 1.00 0.00 C ATOM 611 CG ASN A 463 7.088 4.086 -0.615 1.00 0.00 C ATOM 612 OD1 ASN A 463 8.011 3.543 -0.009 1.00 0.00 O ATOM 613 ND2 ASN A 463 6.542 5.229 -0.214 1.00 0.00 N ATOM 0 H ASN A 463 5.046 2.497 -3.622 1.00 0.00 H new ATOM 0 HA ASN A 463 5.983 1.469 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 463 7.319 3.034 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.055 4.249 -2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 463 6.887 5.691 0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 463 5.778 5.644 -0.747 1.00 0.00 H new ATOM 620 N ILE A 464 4.704 2.118 0.713 1.00 0.00 N ATOM 621 CA ILE A 464 3.921 2.436 1.901 1.00 0.00 C ATOM 622 C ILE A 464 4.759 2.291 3.167 1.00 0.00 C ATOM 623 O ILE A 464 5.852 1.728 3.137 1.00 0.00 O ATOM 624 CB ILE A 464 2.679 1.532 2.015 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.098 0.081 2.261 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.830 1.637 0.757 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.998 -0.775 2.848 1.00 0.00 C ATOM 0 H ILE A 464 5.329 1.319 0.821 1.00 0.00 H new ATOM 0 HA ILE A 464 3.598 3.472 1.798 1.00 0.00 H new ATOM 0 HB ILE A 464 2.081 1.867 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.426 -0.359 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.955 0.068 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.956 0.992 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.507 2.669 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.418 1.325 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.366 -1.790 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.686 -0.360 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.148 -0.793 2.166 1.00 0.00 H new ATOM 639 N GLN A 465 4.237 2.802 4.277 1.00 0.00 N ATOM 640 CA GLN A 465 4.937 2.729 5.554 1.00 0.00 C ATOM 641 C GLN A 465 4.219 1.788 6.515 1.00 0.00 C ATOM 642 O GLN A 465 3.200 2.147 7.106 1.00 0.00 O ATOM 643 CB GLN A 465 5.053 4.121 6.176 1.00 0.00 C ATOM 644 CG GLN A 465 5.917 4.158 7.427 1.00 0.00 C ATOM 645 CD GLN A 465 6.015 5.547 8.028 1.00 0.00 C ATOM 646 OE1 GLN A 465 7.017 6.241 7.856 1.00 0.00 O ATOM 647 NE2 GLN A 465 4.971 5.961 8.737 1.00 0.00 N ATOM 0 H GLN A 465 3.332 3.271 4.318 1.00 0.00 H new ATOM 0 HA GLN A 465 5.937 2.337 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.468 4.807 5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 465 4.055 4.484 6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.505 3.474 8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.917 3.800 7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 465 4.161 5.353 8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 465 4.980 6.887 9.164 1.00 0.00 H new ATOM 656 N ILE A 466 4.756 0.582 6.666 1.00 0.00 N ATOM 657 CA ILE A 466 4.166 -0.411 7.556 1.00 0.00 C ATOM 658 C ILE A 466 4.699 -0.261 8.977 1.00 0.00 C ATOM 659 O ILE A 466 5.863 -0.557 9.249 1.00 0.00 O ATOM 660 CB ILE A 466 4.444 -1.844 7.064 1.00 0.00 C ATOM 661 CG1 ILE A 466 4.013 -1.997 5.604 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.723 -2.854 7.944 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.633 -3.192 4.914 1.00 0.00 C ATOM 0 H ILE A 466 5.598 0.269 6.184 1.00 0.00 H new ATOM 0 HA ILE A 466 3.090 -0.237 7.554 1.00 0.00 H new ATOM 0 HB ILE A 466 5.515 -2.034 7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.927 -2.086 5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.281 -1.093 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.929 -3.862 7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.073 -2.757 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.650 -2.668 7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.283 -3.239 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.719 -3.096 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.344 -4.104 5.436 1.00 0.00 H new ATOM 675 N SER A 467 3.840 0.199 9.880 1.00 0.00 N ATOM 676 CA SER A 467 4.225 0.391 11.274 1.00 0.00 C ATOM 677 C SER A 467 3.770 -0.788 12.129 1.00 0.00 C ATOM 678 O SER A 467 2.574 -1.031 12.285 1.00 0.00 O ATOM 679 CB SER A 467 3.626 1.690 11.816 1.00 0.00 C ATOM 680 OG SER A 467 4.506 2.782 11.610 1.00 0.00 O ATOM 0 H SER A 467 2.872 0.446 9.672 1.00 0.00 H new ATOM 0 HA SER A 467 5.312 0.454 11.321 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.674 1.888 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.418 1.582 12.881 1.00 0.00 H new ATOM 0 HG SER A 467 4.100 3.601 11.963 1.00 0.00 H new ATOM 686 N TRP A 468 4.734 -1.516 12.681 1.00 0.00 N ATOM 687 CA TRP A 468 4.434 -2.670 13.522 1.00 0.00 C ATOM 688 C TRP A 468 4.111 -2.236 14.947 1.00 0.00 C ATOM 689 O TRP A 468 4.994 -1.807 15.690 1.00 0.00 O ATOM 690 CB TRP A 468 5.614 -3.643 13.527 1.00 0.00 C ATOM 691 CG TRP A 468 5.830 -4.323 12.209 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.527 -3.836 11.140 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.344 -5.612 11.820 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.503 -4.745 10.110 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.784 -5.843 10.502 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.581 -6.594 12.457 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.485 -7.015 9.812 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.284 -7.756 11.771 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.737 -7.959 10.460 1.00 0.00 C ATOM 0 H TRP A 468 5.729 -1.328 12.562 1.00 0.00 H new ATOM 0 HA TRP A 468 3.559 -3.172 13.109 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.520 -3.103 13.801 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.449 -4.399 14.295 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.024 -2.878 11.109 1.00 0.00 H new ATOM 0 HE1 TRP A 468 6.948 -4.622 9.201 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.230 -6.447 13.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 5.831 -7.173 8.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.693 -8.521 12.253 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.490 -8.879 9.951 1.00 0.00 H new ATOM 710 N ILE A 469 2.841 -2.350 15.321 1.00 0.00 N ATOM 711 CA ILE A 469 2.402 -1.970 16.659 1.00 0.00 C ATOM 712 C ILE A 469 2.514 -3.142 17.627 1.00 0.00 C ATOM 713 O ILE A 469 3.334 -3.126 18.546 1.00 0.00 O ATOM 714 CB ILE A 469 0.949 -1.461 16.651 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.729 -0.496 15.484 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.618 -0.785 17.973 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.686 -0.505 14.951 1.00 0.00 C ATOM 0 H ILE A 469 2.098 -2.702 14.717 1.00 0.00 H new ATOM 0 HA ILE A 469 3.058 -1.165 16.990 1.00 0.00 H new ATOM 0 HB ILE A 469 0.282 -2.314 16.523 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.981 0.514 15.806 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.414 -0.753 14.676 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.412 -0.430 17.952 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.740 -1.499 18.787 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.289 0.060 18.128 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.768 0.202 14.126 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.935 -1.506 14.598 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.376 -0.218 15.745 1.00 0.00 H new ATOM 729 N ASP A 470 1.685 -4.158 17.415 1.00 0.00 N ATOM 730 CA ASP A 470 1.692 -5.341 18.268 1.00 0.00 C ATOM 731 C ASP A 470 1.936 -6.603 17.445 1.00 0.00 C ATOM 732 O ASP A 470 2.189 -6.532 16.242 1.00 0.00 O ATOM 733 CB ASP A 470 0.367 -5.459 19.023 1.00 0.00 C ATOM 734 CG ASP A 470 0.513 -6.204 20.336 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.551 -6.024 21.008 1.00 0.00 O ATOM 736 OD2 ASP A 470 -0.409 -6.966 20.691 1.00 0.00 O ATOM 0 H ASP A 470 1.000 -4.186 16.660 1.00 0.00 H new ATOM 0 HA ASP A 470 2.504 -5.235 18.988 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.028 -4.462 19.217 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -0.361 -5.974 18.396 1.00 0.00 H new ATOM 741 N ASP A 471 1.861 -7.755 18.102 1.00 0.00 N ATOM 742 CA ASP A 471 2.074 -9.032 17.431 1.00 0.00 C ATOM 743 C ASP A 471 0.987 -9.289 16.392 1.00 0.00 C ATOM 744 O ASP A 471 1.213 -9.978 15.397 1.00 0.00 O ATOM 745 CB ASP A 471 2.100 -10.170 18.453 1.00 0.00 C ATOM 746 CG ASP A 471 2.985 -11.321 18.016 1.00 0.00 C ATOM 747 OD1 ASP A 471 4.063 -11.055 17.444 1.00 0.00 O ATOM 748 OD2 ASP A 471 2.600 -12.487 18.245 1.00 0.00 O ATOM 0 H ASP A 471 1.654 -7.831 19.098 1.00 0.00 H new ATOM 0 HA ASP A 471 3.036 -8.990 16.920 1.00 0.00 H new ATOM 0 HB2 ASP A 471 2.454 -9.787 19.410 1.00 0.00 H new ATOM 0 HB3 ASP A 471 1.085 -10.535 18.611 1.00 0.00 H new ATOM 753 N THR A 472 -0.196 -8.731 16.631 1.00 0.00 N ATOM 754 CA THR A 472 -1.319 -8.901 15.717 1.00 0.00 C ATOM 755 C THR A 472 -1.934 -7.557 15.346 1.00 0.00 C ATOM 756 O THR A 472 -3.088 -7.487 14.922 1.00 0.00 O ATOM 757 CB THR A 472 -2.410 -9.800 16.330 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.841 -9.262 17.585 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.894 -11.217 16.530 1.00 0.00 C ATOM 0 H THR A 472 -0.401 -8.158 17.449 1.00 0.00 H new ATOM 0 HA THR A 472 -0.927 -9.378 14.819 1.00 0.00 H new ATOM 0 HB THR A 472 -3.254 -9.831 15.640 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.536 -9.838 17.967 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.682 -11.833 16.964 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.595 -11.634 15.569 1.00 0.00 H new ATOM 0 HG23 THR A 472 -1.035 -11.200 17.201 1.00 0.00 H new ATOM 767 N SER A 473 -1.156 -6.491 15.507 1.00 0.00 N ATOM 768 CA SER A 473 -1.626 -5.147 15.191 1.00 0.00 C ATOM 769 C SER A 473 -0.592 -4.390 14.363 1.00 0.00 C ATOM 770 O SER A 473 0.601 -4.417 14.665 1.00 0.00 O ATOM 771 CB SER A 473 -1.931 -4.375 16.476 1.00 0.00 C ATOM 772 OG SER A 473 -2.809 -3.291 16.224 1.00 0.00 O ATOM 0 H SER A 473 -0.198 -6.532 15.854 1.00 0.00 H new ATOM 0 HA SER A 473 -2.540 -5.238 14.604 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.378 -5.046 17.210 1.00 0.00 H new ATOM 0 HB3 SER A 473 -1.003 -4.002 16.909 1.00 0.00 H new ATOM 0 HG SER A 473 -3.203 -3.390 15.332 1.00 0.00 H new ATOM 778 N ALA A 474 -1.058 -3.716 13.317 1.00 0.00 N ATOM 779 CA ALA A 474 -0.176 -2.951 12.446 1.00 0.00 C ATOM 780 C ALA A 474 -0.840 -1.655 11.993 1.00 0.00 C ATOM 781 O ALA A 474 -2.026 -1.434 12.240 1.00 0.00 O ATOM 782 CB ALA A 474 0.232 -3.786 11.241 1.00 0.00 C ATOM 0 H ALA A 474 -2.043 -3.685 13.052 1.00 0.00 H new ATOM 0 HA ALA A 474 0.718 -2.692 13.014 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.891 -3.201 10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.755 -4.681 11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.657 -4.075 10.681 1.00 0.00 H new ATOM 788 N PHE A 475 -0.069 -0.801 11.328 1.00 0.00 N ATOM 789 CA PHE A 475 -0.582 0.474 10.842 1.00 0.00 C ATOM 790 C PHE A 475 -0.201 0.693 9.380 1.00 0.00 C ATOM 791 O PHE A 475 0.892 0.325 8.951 1.00 0.00 O ATOM 792 CB PHE A 475 -0.047 1.624 11.697 1.00 0.00 C ATOM 793 CG PHE A 475 -0.930 1.965 12.863 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.300 2.086 12.700 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.389 2.166 14.123 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.116 2.400 13.770 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.200 2.480 15.198 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.564 2.598 15.021 1.00 0.00 C ATOM 0 H PHE A 475 0.914 -0.969 11.113 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.669 0.450 10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.944 1.361 12.067 1.00 0.00 H new ATOM 0 HB3 PHE A 475 0.071 2.508 11.070 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.736 1.933 11.724 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.678 2.076 14.267 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.183 2.490 13.629 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.767 2.633 16.175 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.199 2.845 15.859 1.00 0.00 H new ATOM 808 N VAL A 476 -1.112 1.293 8.621 1.00 0.00 N ATOM 809 CA VAL A 476 -0.873 1.561 7.208 1.00 0.00 C ATOM 810 C VAL A 476 -1.268 2.988 6.845 1.00 0.00 C ATOM 811 O VAL A 476 -2.452 3.301 6.716 1.00 0.00 O ATOM 812 CB VAL A 476 -1.650 0.580 6.310 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.463 0.935 4.843 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.212 -0.851 6.581 1.00 0.00 C ATOM 0 H VAL A 476 -2.022 1.603 8.961 1.00 0.00 H new ATOM 0 HA VAL A 476 0.195 1.428 7.037 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.711 0.662 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.019 0.231 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.831 1.945 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.404 0.884 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.771 -1.531 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.146 -0.951 6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.404 -1.099 7.625 1.00 0.00 H new ATOM 824 N SER A 477 -0.270 3.849 6.680 1.00 0.00 N ATOM 825 CA SER A 477 -0.513 5.245 6.334 1.00 0.00 C ATOM 826 C SER A 477 -0.441 5.451 4.824 1.00 0.00 C ATOM 827 O SER A 477 0.532 5.061 4.178 1.00 0.00 O ATOM 828 CB SER A 477 0.503 6.150 7.033 1.00 0.00 C ATOM 829 OG SER A 477 0.298 6.161 8.435 1.00 0.00 O ATOM 0 H SER A 477 0.715 3.605 6.780 1.00 0.00 H new ATOM 0 HA SER A 477 -1.515 5.508 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 477 1.513 5.805 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 477 0.420 7.164 6.642 1.00 0.00 H new ATOM 0 HG SER A 477 0.961 6.745 8.858 1.00 0.00 H new ATOM 835 N LEU A 478 -1.478 6.067 4.268 1.00 0.00 N ATOM 836 CA LEU A 478 -1.535 6.326 2.833 1.00 0.00 C ATOM 837 C LEU A 478 -1.296 7.803 2.537 1.00 0.00 C ATOM 838 O LEU A 478 -1.250 8.630 3.448 1.00 0.00 O ATOM 839 CB LEU A 478 -2.890 5.894 2.270 1.00 0.00 C ATOM 840 CG LEU A 478 -3.132 4.386 2.186 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.545 4.098 1.706 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.110 3.733 1.267 1.00 0.00 C ATOM 0 H LEU A 478 -2.291 6.397 4.789 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.747 5.746 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.674 6.334 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.997 6.315 1.270 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.017 3.962 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.699 3.020 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.262 4.532 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.690 4.535 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.297 2.660 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.193 4.161 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.107 3.909 1.655 1.00 0.00 H new ATOM 854 N SER A 479 -1.147 8.129 1.257 1.00 0.00 N ATOM 855 CA SER A 479 -0.912 9.506 0.840 1.00 0.00 C ATOM 856 C SER A 479 -2.214 10.301 0.833 1.00 0.00 C ATOM 857 O SER A 479 -2.281 11.407 1.370 1.00 0.00 O ATOM 858 CB SER A 479 -0.273 9.539 -0.549 1.00 0.00 C ATOM 859 OG SER A 479 1.060 9.060 -0.509 1.00 0.00 O ATOM 0 H SER A 479 -1.185 7.457 0.490 1.00 0.00 H new ATOM 0 HA SER A 479 -0.230 9.965 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.860 8.931 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.285 10.559 -0.934 1.00 0.00 H new ATOM 0 HG SER A 479 1.445 9.090 -1.410 1.00 0.00 H new ATOM 865 N GLN A 480 -3.245 9.730 0.220 1.00 0.00 N ATOM 866 CA GLN A 480 -4.546 10.385 0.142 1.00 0.00 C ATOM 867 C GLN A 480 -5.625 9.534 0.803 1.00 0.00 C ATOM 868 O GLN A 480 -5.564 8.305 0.809 1.00 0.00 O ATOM 869 CB GLN A 480 -4.916 10.657 -1.317 1.00 0.00 C ATOM 870 CG GLN A 480 -4.057 11.725 -1.974 1.00 0.00 C ATOM 871 CD GLN A 480 -4.589 12.151 -3.328 1.00 0.00 C ATOM 872 OE1 GLN A 480 -4.438 11.436 -4.320 1.00 0.00 O ATOM 873 NE2 GLN A 480 -5.217 13.320 -3.378 1.00 0.00 N ATOM 0 H GLN A 480 -3.205 8.815 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.480 11.333 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.826 9.731 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.961 10.962 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -4.002 12.595 -1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -3.041 11.348 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -5.320 13.880 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -5.597 13.658 -4.262 1.00 0.00 H new ATOM 882 N PRO A 481 -6.638 10.202 1.375 1.00 0.00 N ATOM 883 CA PRO A 481 -7.750 9.527 2.050 1.00 0.00 C ATOM 884 C PRO A 481 -8.659 8.789 1.072 1.00 0.00 C ATOM 885 O PRO A 481 -9.420 7.905 1.465 1.00 0.00 O ATOM 886 CB PRO A 481 -8.508 10.675 2.721 1.00 0.00 C ATOM 887 CG PRO A 481 -8.180 11.875 1.902 1.00 0.00 C ATOM 888 CD PRO A 481 -6.776 11.668 1.407 1.00 0.00 C ATOM 0 HA PRO A 481 -7.401 8.764 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.581 10.486 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.194 10.805 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.876 11.981 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.254 12.785 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.629 12.107 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.044 12.126 2.072 1.00 0.00 H new ATOM 896 N GLU A 482 -8.574 9.159 -0.202 1.00 0.00 N ATOM 897 CA GLU A 482 -9.390 8.531 -1.235 1.00 0.00 C ATOM 898 C GLU A 482 -9.150 7.025 -1.277 1.00 0.00 C ATOM 899 O GLU A 482 -10.081 6.234 -1.125 1.00 0.00 O ATOM 900 CB GLU A 482 -9.083 9.146 -2.602 1.00 0.00 C ATOM 901 CG GLU A 482 -9.445 10.618 -2.702 1.00 0.00 C ATOM 902 CD GLU A 482 -10.893 10.889 -2.340 1.00 0.00 C ATOM 903 OE1 GLU A 482 -11.786 10.400 -3.062 1.00 0.00 O ATOM 904 OE2 GLU A 482 -11.132 11.589 -1.334 1.00 0.00 O ATOM 0 H GLU A 482 -7.949 9.889 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.438 8.708 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -8.021 9.027 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.626 8.594 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -8.796 11.194 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -9.257 10.966 -3.718 1.00 0.00 H new ATOM 911 N GLN A 483 -7.896 6.637 -1.485 1.00 0.00 N ATOM 912 CA GLN A 483 -7.534 5.226 -1.549 1.00 0.00 C ATOM 913 C GLN A 483 -8.302 4.419 -0.507 1.00 0.00 C ATOM 914 O GLN A 483 -8.774 3.316 -0.785 1.00 0.00 O ATOM 915 CB GLN A 483 -6.029 5.053 -1.336 1.00 0.00 C ATOM 916 CG GLN A 483 -5.183 5.709 -2.415 1.00 0.00 C ATOM 917 CD GLN A 483 -5.016 4.831 -3.640 1.00 0.00 C ATOM 918 OE1 GLN A 483 -5.936 4.113 -4.033 1.00 0.00 O ATOM 919 NE2 GLN A 483 -3.838 4.883 -4.250 1.00 0.00 N ATOM 0 H GLN A 483 -7.114 7.280 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.799 4.854 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.757 5.472 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.795 3.989 -1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.643 6.652 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -4.201 5.947 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -3.104 5.492 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -3.667 4.314 -5.079 1.00 0.00 H new ATOM 928 N VAL A 484 -8.424 4.976 0.694 1.00 0.00 N ATOM 929 CA VAL A 484 -9.136 4.309 1.777 1.00 0.00 C ATOM 930 C VAL A 484 -10.352 3.553 1.253 1.00 0.00 C ATOM 931 O VAL A 484 -10.433 2.331 1.371 1.00 0.00 O ATOM 932 CB VAL A 484 -9.593 5.314 2.851 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.429 4.617 3.914 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.393 6.009 3.476 1.00 0.00 C ATOM 0 H VAL A 484 -8.039 5.888 0.941 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.438 3.602 2.225 1.00 0.00 H new ATOM 0 HB VAL A 484 -10.214 6.072 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.743 5.343 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -11.309 4.171 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.835 3.837 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.735 6.715 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.743 5.267 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.839 6.544 2.704 1.00 0.00 H new ATOM 944 N GLN A 485 -11.294 4.290 0.674 1.00 0.00 N ATOM 945 CA GLN A 485 -12.507 3.688 0.131 1.00 0.00 C ATOM 946 C GLN A 485 -12.204 2.340 -0.515 1.00 0.00 C ATOM 947 O GLN A 485 -12.866 1.342 -0.228 1.00 0.00 O ATOM 948 CB GLN A 485 -13.151 4.624 -0.893 1.00 0.00 C ATOM 949 CG GLN A 485 -14.118 5.624 -0.280 1.00 0.00 C ATOM 950 CD GLN A 485 -13.505 6.399 0.870 1.00 0.00 C ATOM 951 OE1 GLN A 485 -13.057 7.533 0.701 1.00 0.00 O ATOM 952 NE2 GLN A 485 -13.483 5.789 2.050 1.00 0.00 N ATOM 0 H GLN A 485 -11.241 5.303 0.569 1.00 0.00 H new ATOM 0 HA GLN A 485 -13.203 3.527 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.367 5.166 -1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -13.681 4.027 -1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.448 6.323 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -15.004 5.097 0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -13.866 4.848 2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -13.084 6.261 2.861 1.00 0.00 H new ATOM 961 N ILE A 486 -11.202 2.319 -1.386 1.00 0.00 N ATOM 962 CA ILE A 486 -10.811 1.093 -2.072 1.00 0.00 C ATOM 963 C ILE A 486 -10.302 0.050 -1.084 1.00 0.00 C ATOM 964 O ILE A 486 -10.924 -0.995 -0.893 1.00 0.00 O ATOM 965 CB ILE A 486 -9.722 1.361 -3.127 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.241 2.324 -4.196 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.266 0.054 -3.760 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.143 3.780 -3.796 1.00 0.00 C ATOM 0 H ILE A 486 -10.645 3.137 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.702 0.712 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.866 1.823 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.678 2.170 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.282 2.085 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.496 0.259 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.861 -0.602 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.114 -0.433 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.529 4.405 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.729 3.949 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.101 4.036 -3.606 1.00 0.00 H new ATOM 980 N ALA A 487 -9.167 0.341 -0.456 1.00 0.00 N ATOM 981 CA ALA A 487 -8.575 -0.570 0.515 1.00 0.00 C ATOM 982 C ALA A 487 -9.649 -1.226 1.377 1.00 0.00 C ATOM 983 O ALA A 487 -9.594 -2.425 1.649 1.00 0.00 O ATOM 984 CB ALA A 487 -7.572 0.168 1.389 1.00 0.00 C ATOM 0 H ALA A 487 -8.639 1.201 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.054 -1.356 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.138 -0.525 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.782 0.584 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.077 0.975 1.920 1.00 0.00 H new ATOM 990 N VAL A 488 -10.624 -0.431 1.806 1.00 0.00 N ATOM 991 CA VAL A 488 -11.711 -0.934 2.637 1.00 0.00 C ATOM 992 C VAL A 488 -12.662 -1.809 1.828 1.00 0.00 C ATOM 993 O VAL A 488 -13.042 -2.896 2.261 1.00 0.00 O ATOM 994 CB VAL A 488 -12.509 0.218 3.277 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.563 -0.326 4.228 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.573 1.177 3.996 1.00 0.00 C ATOM 0 H VAL A 488 -10.683 0.564 1.592 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.255 -1.532 3.426 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.019 0.768 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.116 0.502 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.251 -0.970 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.079 -0.901 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.153 1.985 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.034 0.642 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.860 1.593 3.284 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.042 -1.327 0.650 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.950 -2.065 -0.221 1.00 0.00 C ATOM 1008 C ASN A 489 -13.478 -3.504 -0.405 1.00 0.00 C ATOM 1009 O ASN A 489 -14.262 -4.447 -0.291 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.058 -1.374 -1.582 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.019 -2.085 -2.516 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -15.611 -3.104 -2.159 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -15.179 -1.548 -3.720 1.00 0.00 N ATOM 0 H ASN A 489 -12.736 -0.429 0.276 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.933 -2.081 0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.389 -0.345 -1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.072 -1.331 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -15.813 -1.981 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -14.668 -0.702 -3.973 1.00 0.00 H new ATOM 1020 N THR A 490 -12.189 -3.667 -0.689 1.00 0.00 N ATOM 1021 CA THR A 490 -11.612 -4.990 -0.888 1.00 0.00 C ATOM 1022 C THR A 490 -11.483 -5.739 0.433 1.00 0.00 C ATOM 1023 O THR A 490 -11.489 -6.969 0.463 1.00 0.00 O ATOM 1024 CB THR A 490 -10.225 -4.903 -1.553 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.306 -4.233 -0.683 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.306 -4.163 -2.880 1.00 0.00 C ATOM 0 H THR A 490 -11.525 -2.899 -0.786 1.00 0.00 H new ATOM 0 HA THR A 490 -12.290 -5.534 -1.546 1.00 0.00 H new ATOM 0 HB THR A 490 -9.873 -5.917 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.804 -3.714 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.315 -4.114 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.984 -4.691 -3.550 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.678 -3.152 -2.711 1.00 0.00 H new ATOM 1034 N SER A 491 -11.368 -4.989 1.524 1.00 0.00 N ATOM 1035 CA SER A 491 -11.235 -5.583 2.850 1.00 0.00 C ATOM 1036 C SER A 491 -12.576 -6.120 3.341 1.00 0.00 C ATOM 1037 O SER A 491 -12.636 -7.138 4.030 1.00 0.00 O ATOM 1038 CB SER A 491 -10.691 -4.552 3.841 1.00 0.00 C ATOM 1039 OG SER A 491 -11.691 -3.614 4.201 1.00 0.00 O ATOM 0 H SER A 491 -11.364 -3.969 1.516 1.00 0.00 H new ATOM 0 HA SER A 491 -10.534 -6.415 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.325 -5.059 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.841 -4.031 3.399 1.00 0.00 H new ATOM 0 HG SER A 491 -12.290 -3.466 3.439 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.651 -5.427 2.982 1.00 0.00 N ATOM 1046 CA LYS A 492 -14.993 -5.833 3.384 1.00 0.00 C ATOM 1047 C LYS A 492 -15.183 -7.336 3.206 1.00 0.00 C ATOM 1048 O LYS A 492 -15.397 -8.063 4.176 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.043 -5.075 2.568 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.262 -3.647 3.035 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.685 -3.185 2.771 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.828 -2.581 1.383 1.00 0.00 C ATOM 1053 NZ LYS A 492 -17.806 -3.623 0.319 1.00 0.00 N ATOM 0 H LYS A 492 -13.619 -4.581 2.413 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.118 -5.591 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.739 -5.063 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -16.989 -5.614 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -16.047 -3.575 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -15.563 -2.985 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -18.367 -4.029 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -17.974 -2.449 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -18.762 -2.022 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -17.020 -1.870 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -18.293 -3.265 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -16.821 -3.854 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -18.289 -4.478 0.661 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.102 -7.795 1.962 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.266 -9.211 1.658 1.00 0.00 C ATOM 1069 C TYR A 493 -14.137 -10.034 2.270 1.00 0.00 C ATOM 1070 O TYR A 493 -14.368 -11.105 2.830 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.307 -9.427 0.144 1.00 0.00 C ATOM 1072 CG TYR A 493 -13.941 -9.431 -0.505 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.130 -10.557 -0.454 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.462 -8.307 -1.167 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.881 -10.564 -1.045 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.215 -8.306 -1.761 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.428 -9.437 -1.697 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.185 -9.439 -2.287 1.00 0.00 O ATOM 0 H TYR A 493 -14.924 -7.207 1.148 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.209 -9.543 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.802 -10.375 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -15.913 -8.643 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.481 -11.442 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.075 -7.419 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.263 -11.448 -0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -11.858 -7.424 -2.273 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.020 -8.568 -2.704 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.915 -9.525 2.158 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.749 -10.210 2.703 1.00 0.00 C ATOM 1090 C ALA A 494 -12.036 -10.758 4.097 1.00 0.00 C ATOM 1091 O ALA A 494 -12.312 -10.000 5.026 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.553 -9.270 2.739 1.00 0.00 C ATOM 0 H ALA A 494 -12.706 -8.641 1.695 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.516 -11.052 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.690 -9.795 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.326 -8.931 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.785 -8.410 3.367 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.969 -12.078 4.234 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.223 -12.727 5.515 1.00 0.00 C ATOM 1100 C GLU A 495 -10.915 -13.021 6.245 1.00 0.00 C ATOM 1101 O GLU A 495 -10.800 -12.797 7.450 1.00 0.00 O ATOM 1102 CB GLU A 495 -13.008 -14.024 5.309 1.00 0.00 C ATOM 1103 CG GLU A 495 -14.397 -13.809 4.730 1.00 0.00 C ATOM 1104 CD GLU A 495 -15.041 -15.100 4.265 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -15.181 -16.024 5.094 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -15.404 -15.187 3.074 1.00 0.00 O ATOM 0 H GLU A 495 -11.741 -12.719 3.474 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.815 -12.046 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.444 -14.679 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.098 -14.540 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -15.032 -13.341 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -14.334 -13.116 3.891 1.00 0.00 H new ATOM 1113 N SER A 496 -9.933 -13.526 5.505 1.00 0.00 N ATOM 1114 CA SER A 496 -8.634 -13.856 6.082 1.00 0.00 C ATOM 1115 C SER A 496 -8.107 -12.702 6.929 1.00 0.00 C ATOM 1116 O SER A 496 -7.701 -12.894 8.075 1.00 0.00 O ATOM 1117 CB SER A 496 -7.632 -14.191 4.975 1.00 0.00 C ATOM 1118 OG SER A 496 -6.315 -14.277 5.490 1.00 0.00 O ATOM 0 H SER A 496 -10.012 -13.716 4.506 1.00 0.00 H new ATOM 0 HA SER A 496 -8.760 -14.727 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.905 -15.136 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 496 -7.673 -13.427 4.199 1.00 0.00 H new ATOM 0 HG SER A 496 -5.693 -14.493 4.764 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.117 -11.504 6.357 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.637 -10.318 7.057 1.00 0.00 C ATOM 1126 C TYR A 497 -8.760 -9.301 7.238 1.00 0.00 C ATOM 1127 O TYR A 497 -9.808 -9.396 6.598 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.476 -9.682 6.292 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.857 -9.187 4.915 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.600 -8.023 4.755 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.476 -9.883 3.774 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -7.951 -7.567 3.499 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -6.822 -9.433 2.515 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.559 -8.275 2.382 1.00 0.00 C ATOM 1135 OH TYR A 497 -7.907 -7.825 1.129 1.00 0.00 O ATOM 0 H TYR A 497 -8.452 -11.328 5.410 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.287 -10.626 8.042 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.083 -8.848 6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.672 -10.411 6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.908 -7.466 5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -5.900 -10.791 3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.529 -6.661 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.517 -9.985 1.639 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.552 -8.437 0.451 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.532 -8.327 8.113 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.524 -7.292 8.379 1.00 0.00 C ATOM 1147 C ARG A 498 -8.875 -5.911 8.397 1.00 0.00 C ATOM 1148 O ARG A 498 -7.852 -5.703 9.050 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.223 -7.556 9.714 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.434 -6.670 9.953 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.350 -7.254 11.018 1.00 0.00 C ATOM 1152 NE ARG A 498 -13.730 -6.803 10.860 1.00 0.00 N ATOM 1153 CZ ARG A 498 -14.755 -7.326 11.524 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -14.555 -8.312 12.387 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -15.982 -6.861 11.326 1.00 0.00 N ATOM 0 H ARG A 498 -7.670 -8.233 8.649 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.264 -7.318 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.534 -8.600 9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.509 -7.407 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.105 -5.677 10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -11.987 -6.549 9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -12.316 -8.342 10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -11.986 -6.969 12.005 1.00 0.00 H new ATOM 0 HE ARG A 498 -13.917 -6.045 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -13.613 -8.671 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -15.343 -8.712 12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -16.139 -6.101 10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -16.768 -7.263 11.836 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.478 -4.971 7.675 1.00 0.00 N ATOM 1170 CA ILE A 499 -8.959 -3.610 7.609 1.00 0.00 C ATOM 1171 C ILE A 499 -10.009 -2.600 8.058 1.00 0.00 C ATOM 1172 O ILE A 499 -11.195 -2.753 7.768 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.496 -3.253 6.184 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.382 -4.201 5.734 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.024 -1.808 6.127 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.051 -4.089 4.263 1.00 0.00 C ATOM 0 H ILE A 499 -10.325 -5.127 7.129 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.103 -3.565 8.282 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.341 -3.366 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.484 -3.996 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.678 -5.227 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.700 -1.571 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.843 -1.146 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.191 -1.670 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.254 -4.789 4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.936 -4.323 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.724 -3.073 4.040 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.563 -1.567 8.766 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.465 -0.530 9.254 1.00 0.00 C ATOM 1190 C GLN A 500 -9.757 0.820 9.321 1.00 0.00 C ATOM 1191 O GLN A 500 -8.565 0.923 9.031 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.007 -0.904 10.634 1.00 0.00 C ATOM 1193 CG GLN A 500 -9.922 -1.095 11.682 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.316 -2.092 12.754 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -10.753 -3.204 12.454 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.162 -1.700 14.013 1.00 0.00 N ATOM 0 H GLN A 500 -8.584 -1.426 9.014 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.297 -0.449 8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -11.692 -0.125 10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.586 -1.824 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.007 -1.433 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -9.699 -0.135 12.148 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.796 -0.770 14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.409 -2.329 14.777 1.00 0.00 H new ATOM 1205 N THR A 501 -10.500 1.853 9.705 1.00 0.00 N ATOM 1206 CA THR A 501 -9.945 3.197 9.808 1.00 0.00 C ATOM 1207 C THR A 501 -9.276 3.412 11.161 1.00 0.00 C ATOM 1208 O THR A 501 -9.589 2.727 12.135 1.00 0.00 O ATOM 1209 CB THR A 501 -11.030 4.271 9.608 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.032 4.150 10.624 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.675 4.140 8.236 1.00 0.00 C ATOM 0 H THR A 501 -11.488 1.785 9.950 1.00 0.00 H new ATOM 0 HA THR A 501 -9.201 3.293 9.017 1.00 0.00 H new ATOM 0 HB THR A 501 -10.557 5.251 9.678 1.00 0.00 H new ATOM 0 HG1 THR A 501 -12.718 4.838 10.491 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.438 4.909 8.118 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.915 4.261 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 501 -12.134 3.156 8.142 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.355 4.368 11.215 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.641 4.673 12.449 1.00 0.00 C ATOM 1221 C TYR A 502 -8.617 4.916 13.597 1.00 0.00 C ATOM 1222 O TYR A 502 -8.439 4.395 14.698 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.747 5.899 12.257 1.00 0.00 C ATOM 1224 CG TYR A 502 -5.966 6.279 13.494 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.720 5.719 13.752 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.473 7.197 14.406 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.003 6.063 14.881 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.762 7.547 15.537 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.527 6.977 15.770 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.817 7.323 16.897 1.00 0.00 O ATOM 0 H TYR A 502 -8.085 4.945 10.418 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.019 3.814 12.700 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.049 5.705 11.442 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.364 6.744 11.954 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.306 5.003 13.058 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.440 7.644 14.227 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.037 5.618 15.067 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -6.170 8.263 16.235 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.327 7.979 17.416 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.648 5.710 13.330 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.654 6.021 14.339 1.00 0.00 C ATOM 1242 C ALA A 503 -11.306 4.751 14.873 1.00 0.00 C ATOM 1243 O ALA A 503 -11.515 4.609 16.077 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.707 6.956 13.762 1.00 0.00 C ATOM 0 H ALA A 503 -9.809 6.150 12.424 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.158 6.520 15.171 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.452 7.180 14.525 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.232 7.881 13.435 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.192 6.477 12.911 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.626 3.830 13.969 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.257 2.572 14.352 1.00 0.00 C ATOM 1252 C GLU A 504 -11.420 1.840 15.397 1.00 0.00 C ATOM 1253 O GLU A 504 -11.950 1.324 16.381 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.453 1.680 13.124 1.00 0.00 C ATOM 1255 CG GLU A 504 -13.679 2.039 12.301 1.00 0.00 C ATOM 1256 CD GLU A 504 -14.947 1.400 12.833 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.506 1.923 13.819 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -15.379 0.377 12.263 1.00 0.00 O ATOM 0 H GLU A 504 -11.459 3.931 12.968 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.231 2.800 14.786 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.568 1.748 12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.534 0.642 13.448 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -13.800 3.122 12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -13.524 1.725 11.269 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.111 1.799 15.176 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.201 1.128 16.096 1.00 0.00 C ATOM 1267 C TYR A 505 -9.109 1.883 17.419 1.00 0.00 C ATOM 1268 O TYR A 505 -9.505 1.373 18.467 1.00 0.00 O ATOM 1269 CB TYR A 505 -7.811 1.002 15.470 1.00 0.00 C ATOM 1270 CG TYR A 505 -6.739 0.589 16.454 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -6.788 -0.647 17.086 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -5.677 1.435 16.750 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -5.812 -1.028 17.986 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -4.696 1.062 17.647 1.00 0.00 C ATOM 1275 CZ TYR A 505 -4.767 -0.170 18.263 1.00 0.00 C ATOM 1276 OH TYR A 505 -3.792 -0.547 19.158 1.00 0.00 O ATOM 0 H TYR A 505 -9.656 2.223 14.367 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.595 0.131 16.294 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -7.851 0.272 14.661 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.535 1.957 15.024 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.603 -1.322 16.870 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -5.618 2.401 16.270 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -5.866 -1.992 18.470 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -3.877 1.732 17.865 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.128 0.169 19.240 1.00 0.00 H new ATOM 1286 N VAL A 506 -8.584 3.103 17.361 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.441 3.930 18.553 1.00 0.00 C ATOM 1288 C VAL A 506 -9.755 4.019 19.321 1.00 0.00 C ATOM 1289 O VAL A 506 -9.764 4.102 20.548 1.00 0.00 O ATOM 1290 CB VAL A 506 -7.971 5.353 18.195 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -6.590 5.314 17.558 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -8.974 6.029 17.274 1.00 0.00 C ATOM 0 H VAL A 506 -8.251 3.540 16.502 1.00 0.00 H new ATOM 0 HA VAL A 506 -7.688 3.453 19.181 1.00 0.00 H new ATOM 0 HB VAL A 506 -7.905 5.937 19.113 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.274 6.328 17.312 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -5.879 4.872 18.257 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -6.626 4.714 16.649 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.626 7.033 17.031 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.075 5.448 16.357 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -9.941 6.091 17.772 1.00 0.00 H new