USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 Single : A 462 SER OG : rot -20:sc= -0.698 USER MOD Single : A 463 LYS NZ :NH3+ 158:sc= -0.0547 (180deg=-0.331) USER MOD Single : A 468 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.37) USER MOD Single : A 472 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.51) USER MOD Single : A 474 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.16) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot -105:sc= 0.0118 USER MOD Single : A 514 LYS NZ :NH3+ -155:sc= -1.07 (180deg=-1.74!) USER MOD Single : A 515 GLN : amide:sc= -0.0017 X(o=-0.0017,f=-0.0092) USER MOD Single : A 518 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0566) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= -6.83! C(o=-6.8!,f=-7.5!) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 526 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 527 SER OG : rot 45:sc= 0.862 USER MOD Single : A 528 THR OG1 : rot 54:sc= 0.0118 USER MOD Single : A 529 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.16) USER MOD Single : A 531 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 6.012 0.435 -7.216 1.00 0.00 N ATOM 203 CA SER A 462 5.967 -0.083 -5.854 1.00 0.00 C ATOM 204 C SER A 462 4.883 0.620 -5.042 1.00 0.00 C ATOM 205 O SER A 462 5.129 1.653 -4.419 1.00 0.00 O ATOM 206 CB SER A 462 7.326 0.094 -5.173 1.00 0.00 C ATOM 207 OG SER A 462 8.226 -0.930 -5.558 1.00 0.00 O ATOM 0 HA SER A 462 5.729 -1.146 -5.903 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.743 1.066 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.198 0.082 -4.091 1.00 0.00 H new ATOM 0 HG SER A 462 7.722 -1.694 -5.908 1.00 0.00 H new ATOM 213 N LYS A 463 3.682 0.051 -5.053 1.00 0.00 N ATOM 214 CA LYS A 463 2.559 0.619 -4.317 1.00 0.00 C ATOM 215 C LYS A 463 1.701 -0.480 -3.700 1.00 0.00 C ATOM 216 O LYS A 463 1.020 -1.221 -4.410 1.00 0.00 O ATOM 217 CB LYS A 463 1.705 1.490 -5.242 1.00 0.00 C ATOM 218 CG LYS A 463 2.166 2.935 -5.313 1.00 0.00 C ATOM 219 CD LYS A 463 1.519 3.781 -4.229 1.00 0.00 C ATOM 220 CE LYS A 463 1.499 5.253 -4.609 1.00 0.00 C ATOM 221 NZ LYS A 463 0.574 5.520 -5.746 1.00 0.00 N ATOM 0 H LYS A 463 3.462 -0.804 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 463 2.959 1.237 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.719 1.063 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.671 1.464 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.250 2.977 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 463 1.922 3.348 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.500 3.435 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.063 3.653 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.195 5.847 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 463 2.506 5.573 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.297 6.523 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 1.052 5.298 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.274 4.926 -5.650 1.00 0.00 H new ATOM 235 N ILE A 464 1.736 -0.579 -2.376 1.00 0.00 N ATOM 236 CA ILE A 464 0.959 -1.587 -1.664 1.00 0.00 C ATOM 237 C ILE A 464 -0.255 -0.964 -0.984 1.00 0.00 C ATOM 238 O ILE A 464 -0.119 -0.163 -0.058 1.00 0.00 O ATOM 239 CB ILE A 464 1.811 -2.312 -0.606 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.012 -2.993 -1.266 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.967 -3.328 0.148 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.879 -3.763 -0.294 1.00 0.00 C ATOM 0 H ILE A 464 2.294 0.026 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 464 0.625 -2.311 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 464 2.182 -1.576 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.654 -3.673 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.620 -2.237 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.583 -3.832 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.142 -2.818 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.570 -4.063 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.711 -4.219 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.266 -3.084 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.285 -4.542 0.185 1.00 0.00 H new ATOM 254 N LEU A 465 -1.443 -1.339 -1.447 1.00 0.00 N ATOM 255 CA LEU A 465 -2.683 -0.819 -0.882 1.00 0.00 C ATOM 256 C LEU A 465 -3.405 -1.893 -0.073 1.00 0.00 C ATOM 257 O LEU A 465 -3.990 -2.819 -0.635 1.00 0.00 O ATOM 258 CB LEU A 465 -3.597 -0.302 -1.994 1.00 0.00 C ATOM 259 CG LEU A 465 -5.063 -0.092 -1.616 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.205 1.088 -0.667 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.911 0.118 -2.862 1.00 0.00 C ATOM 0 H LEU A 465 -1.573 -2.001 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.431 0.005 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.197 0.645 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.555 -1.004 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.419 -0.987 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.255 1.223 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.630 0.897 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.832 1.991 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.952 0.266 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.555 0.997 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.834 -0.758 -3.506 1.00 0.00 H new ATOM 273 N VAL A 466 -3.361 -1.760 1.249 1.00 0.00 N ATOM 274 CA VAL A 466 -4.014 -2.717 2.135 1.00 0.00 C ATOM 275 C VAL A 466 -5.439 -2.284 2.457 1.00 0.00 C ATOM 276 O VAL A 466 -5.662 -1.206 3.007 1.00 0.00 O ATOM 277 CB VAL A 466 -3.231 -2.888 3.451 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.849 -1.532 4.025 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.045 -3.690 4.454 1.00 0.00 C ATOM 0 H VAL A 466 -2.880 -1.000 1.730 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.038 -3.671 1.608 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.314 -3.438 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.297 -1.673 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.225 -0.997 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.751 -0.954 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.477 -3.801 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -4.980 -3.170 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.263 -4.675 4.041 1.00 0.00 H new ATOM 289 N ARG A 467 -6.402 -3.132 2.110 1.00 0.00 N ATOM 290 CA ARG A 467 -7.808 -2.837 2.361 1.00 0.00 C ATOM 291 C ARG A 467 -8.378 -3.771 3.425 1.00 0.00 C ATOM 292 O ARG A 467 -7.714 -4.712 3.859 1.00 0.00 O ATOM 293 CB ARG A 467 -8.616 -2.964 1.069 1.00 0.00 C ATOM 294 CG ARG A 467 -8.656 -1.685 0.247 1.00 0.00 C ATOM 295 CD ARG A 467 -9.594 -1.817 -0.942 1.00 0.00 C ATOM 296 NE ARG A 467 -9.584 -0.622 -1.782 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.237 -0.528 -2.935 1.00 0.00 C ATOM 298 NH1 ARG A 467 -10.948 -1.554 -3.382 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.179 0.592 -3.642 1.00 0.00 N ATOM 0 H ARG A 467 -6.234 -4.029 1.654 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.879 -1.812 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.191 -3.763 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.636 -3.259 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -8.979 -0.856 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.652 -1.445 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.304 -2.682 -1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.607 -2.001 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 467 -9.046 0.185 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.994 -2.417 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -11.449 -1.480 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.633 1.383 -3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -10.681 0.663 -4.527 1.00 0.00 H new ATOM 313 N ASN A 468 -9.611 -3.503 3.840 1.00 0.00 N ATOM 314 CA ASN A 468 -10.270 -4.319 4.854 1.00 0.00 C ATOM 315 C ASN A 468 -9.466 -4.331 6.150 1.00 0.00 C ATOM 316 O ASN A 468 -9.265 -5.383 6.758 1.00 0.00 O ATOM 317 CB ASN A 468 -10.458 -5.749 4.344 1.00 0.00 C ATOM 318 CG ASN A 468 -11.671 -6.426 4.953 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.763 -5.858 4.982 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.484 -7.645 5.444 1.00 0.00 N ATOM 0 H ASN A 468 -10.174 -2.728 3.491 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.247 -3.881 5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.560 -5.734 3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.567 -6.333 4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.263 -8.150 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.561 -8.077 5.398 1.00 0.00 H new ATOM 327 N ILE A 469 -9.009 -3.155 6.567 1.00 0.00 N ATOM 328 CA ILE A 469 -8.228 -3.031 7.792 1.00 0.00 C ATOM 329 C ILE A 469 -9.134 -2.857 9.006 1.00 0.00 C ATOM 330 O ILE A 469 -10.095 -2.087 8.990 1.00 0.00 O ATOM 331 CB ILE A 469 -7.253 -1.841 7.719 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.290 -2.014 6.543 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.484 -1.706 9.024 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.532 -0.753 6.191 1.00 0.00 C ATOM 0 H ILE A 469 -9.166 -2.275 6.075 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.657 -3.953 7.897 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.828 -0.928 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.576 -2.802 6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.852 -2.346 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.799 -0.861 8.957 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.184 -1.542 9.843 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.917 -2.619 9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.869 -0.950 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.238 0.032 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.943 -0.431 7.050 1.00 0.00 H new ATOM 346 N PRO A 470 -8.822 -3.588 10.086 1.00 0.00 N ATOM 347 CA PRO A 470 -9.595 -3.531 11.331 1.00 0.00 C ATOM 348 C PRO A 470 -9.423 -2.202 12.059 1.00 0.00 C ATOM 349 O PRO A 470 -8.363 -1.579 11.993 1.00 0.00 O ATOM 350 CB PRO A 470 -9.012 -4.676 12.163 1.00 0.00 C ATOM 351 CG PRO A 470 -7.629 -4.857 11.642 1.00 0.00 C ATOM 352 CD PRO A 470 -7.692 -4.527 10.176 1.00 0.00 C ATOM 0 HA PRO A 470 -10.666 -3.620 11.151 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.006 -4.430 13.225 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.600 -5.587 12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -6.928 -4.202 12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.284 -5.879 11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.764 -4.074 9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.860 -5.418 9.571 1.00 0.00 H new ATOM 360 N PHE A 471 -10.471 -1.774 12.754 1.00 0.00 N ATOM 361 CA PHE A 471 -10.435 -0.518 13.495 1.00 0.00 C ATOM 362 C PHE A 471 -9.252 -0.488 14.458 1.00 0.00 C ATOM 363 O PHE A 471 -8.613 0.548 14.639 1.00 0.00 O ATOM 364 CB PHE A 471 -11.741 -0.321 14.269 1.00 0.00 C ATOM 365 CG PHE A 471 -11.635 0.689 15.376 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.678 2.046 15.100 1.00 0.00 C ATOM 367 CD2 PHE A 471 -11.493 0.281 16.692 1.00 0.00 C ATOM 368 CE1 PHE A 471 -11.580 2.977 16.117 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.395 1.207 17.713 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.440 2.557 17.425 1.00 0.00 C ATOM 0 H PHE A 471 -11.356 -2.278 12.820 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.318 0.295 12.778 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.521 -0.008 13.575 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.053 -1.277 14.689 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -11.789 2.380 14.079 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -11.458 -0.773 16.923 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -11.613 4.032 15.889 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -11.283 0.876 18.735 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.366 3.283 18.221 1.00 0.00 H new ATOM 380 N GLN A 472 -8.966 -1.631 15.072 1.00 0.00 N ATOM 381 CA GLN A 472 -7.861 -1.735 16.016 1.00 0.00 C ATOM 382 C GLN A 472 -6.536 -1.386 15.345 1.00 0.00 C ATOM 383 O GLN A 472 -5.763 -0.579 15.859 1.00 0.00 O ATOM 384 CB GLN A 472 -7.793 -3.147 16.601 1.00 0.00 C ATOM 385 CG GLN A 472 -9.030 -3.538 17.394 1.00 0.00 C ATOM 386 CD GLN A 472 -9.212 -2.698 18.642 1.00 0.00 C ATOM 387 OE1 GLN A 472 -9.621 -1.538 18.570 1.00 0.00 O ATOM 388 NE2 GLN A 472 -8.910 -3.279 19.797 1.00 0.00 N ATOM 0 H GLN A 472 -9.485 -2.498 14.932 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.038 -1.023 16.822 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -7.651 -3.861 15.790 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -6.919 -3.222 17.248 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -9.911 -3.436 16.760 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -8.960 -4.589 17.675 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -8.574 -4.242 19.811 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -9.014 -2.762 20.670 1.00 0.00 H new ATOM 397 N ALA A 473 -6.282 -2.000 14.194 1.00 0.00 N ATOM 398 CA ALA A 473 -5.053 -1.752 13.451 1.00 0.00 C ATOM 399 C ALA A 473 -4.862 -0.263 13.186 1.00 0.00 C ATOM 400 O ALA A 473 -5.724 0.388 12.597 1.00 0.00 O ATOM 401 CB ALA A 473 -5.062 -2.526 12.142 1.00 0.00 C ATOM 0 H ALA A 473 -6.911 -2.673 13.756 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.216 -2.096 14.058 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.138 -2.331 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.142 -3.593 12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -5.912 -2.210 11.538 1.00 0.00 H new ATOM 407 N ASN A 474 -3.727 0.272 13.627 1.00 0.00 N ATOM 408 CA ASN A 474 -3.424 1.686 13.438 1.00 0.00 C ATOM 409 C ASN A 474 -2.225 1.866 12.512 1.00 0.00 C ATOM 410 O ASN A 474 -1.613 0.891 12.077 1.00 0.00 O ATOM 411 CB ASN A 474 -3.147 2.354 14.786 1.00 0.00 C ATOM 412 CG ASN A 474 -4.089 1.875 15.873 1.00 0.00 C ATOM 413 OD1 ASN A 474 -3.661 1.289 16.868 1.00 0.00 O ATOM 414 ND2 ASN A 474 -5.381 2.122 15.688 1.00 0.00 N ATOM 0 H ASN A 474 -3.003 -0.253 14.117 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.291 2.160 12.977 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.119 2.151 15.085 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -3.240 3.435 14.679 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -6.062 1.823 16.386 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -5.692 2.611 14.848 1.00 0.00 H new ATOM 421 N GLN A 475 -1.896 3.119 12.217 1.00 0.00 N ATOM 422 CA GLN A 475 -0.770 3.427 11.343 1.00 0.00 C ATOM 423 C GLN A 475 0.470 2.639 11.754 1.00 0.00 C ATOM 424 O GLN A 475 1.091 1.967 10.930 1.00 0.00 O ATOM 425 CB GLN A 475 -0.468 4.926 11.373 1.00 0.00 C ATOM 426 CG GLN A 475 0.755 5.317 10.559 1.00 0.00 C ATOM 427 CD GLN A 475 1.460 6.539 11.116 1.00 0.00 C ATOM 428 OE1 GLN A 475 2.628 6.475 11.500 1.00 0.00 O ATOM 429 NE2 GLN A 475 0.752 7.661 11.162 1.00 0.00 N ATOM 0 H GLN A 475 -2.393 3.937 12.570 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.042 3.139 10.328 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.334 5.470 10.996 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.321 5.238 12.407 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.453 4.480 10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.454 5.513 9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.213 7.669 10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.173 8.515 11.526 1.00 0.00 H new ATOM 438 N ARG A 476 0.824 2.726 13.031 1.00 0.00 N ATOM 439 CA ARG A 476 1.990 2.023 13.551 1.00 0.00 C ATOM 440 C ARG A 476 1.937 0.541 13.189 1.00 0.00 C ATOM 441 O ARG A 476 2.862 0.009 12.577 1.00 0.00 O ATOM 442 CB ARG A 476 2.076 2.185 15.070 1.00 0.00 C ATOM 443 CG ARG A 476 2.675 3.512 15.507 1.00 0.00 C ATOM 444 CD ARG A 476 4.141 3.616 15.118 1.00 0.00 C ATOM 445 NE ARG A 476 4.889 4.478 16.029 1.00 0.00 N ATOM 446 CZ ARG A 476 5.242 4.119 17.258 1.00 0.00 C ATOM 447 NH1 ARG A 476 4.917 2.919 17.721 1.00 0.00 N ATOM 448 NH2 ARG A 476 5.922 4.959 18.028 1.00 0.00 N ATOM 0 H ARG A 476 0.320 3.277 13.726 1.00 0.00 H new ATOM 0 HA ARG A 476 2.879 2.460 13.096 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.077 2.090 15.494 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.676 1.372 15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 476 2.118 4.331 15.053 1.00 0.00 H new ATOM 0 HG3 ARG A 476 2.575 3.619 16.587 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.586 2.621 15.113 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.220 4.006 14.103 1.00 0.00 H new ATOM 0 HE ARG A 476 5.155 5.407 15.703 1.00 0.00 H new ATOM 0 HH11 ARG A 476 4.395 2.270 17.133 1.00 0.00 H new ATOM 0 HH12 ARG A 476 5.189 2.646 18.665 1.00 0.00 H new ATOM 0 HH21 ARG A 476 6.175 5.883 17.676 1.00 0.00 H new ATOM 0 HH22 ARG A 476 6.192 4.681 18.972 1.00 0.00 H new ATOM 462 N GLU A 477 0.848 -0.118 13.574 1.00 0.00 N ATOM 463 CA GLU A 477 0.676 -1.538 13.291 1.00 0.00 C ATOM 464 C GLU A 477 1.081 -1.860 11.856 1.00 0.00 C ATOM 465 O GLU A 477 1.873 -2.772 11.613 1.00 0.00 O ATOM 466 CB GLU A 477 -0.777 -1.955 13.528 1.00 0.00 C ATOM 467 CG GLU A 477 -1.068 -2.361 14.963 1.00 0.00 C ATOM 468 CD GLU A 477 -1.145 -1.172 15.901 1.00 0.00 C ATOM 469 OE1 GLU A 477 -1.522 -0.075 15.438 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.827 -1.338 17.097 1.00 0.00 O ATOM 0 H GLU A 477 0.073 0.308 14.082 1.00 0.00 H new ATOM 0 HA GLU A 477 1.323 -2.098 13.967 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.433 -1.129 13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.019 -2.788 12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.010 -2.908 14.998 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -0.291 -3.042 15.309 1.00 0.00 H new ATOM 477 N ILE A 478 0.533 -1.106 10.909 1.00 0.00 N ATOM 478 CA ILE A 478 0.838 -1.310 9.498 1.00 0.00 C ATOM 479 C ILE A 478 2.322 -1.098 9.220 1.00 0.00 C ATOM 480 O ILE A 478 2.980 -1.950 8.623 1.00 0.00 O ATOM 481 CB ILE A 478 0.018 -0.363 8.602 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.479 -0.603 8.805 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.398 -0.555 7.142 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.914 -2.015 8.483 1.00 0.00 C ATOM 0 H ILE A 478 -0.125 -0.348 11.093 1.00 0.00 H new ATOM 0 HA ILE A 478 0.571 -2.340 9.263 1.00 0.00 H new ATOM 0 HB ILE A 478 0.243 0.666 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.737 -0.379 9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.038 0.092 8.179 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.190 0.121 6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.458 -0.339 7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.198 -1.585 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.987 -2.112 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.687 -2.237 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.382 -2.715 9.127 1.00 0.00 H new ATOM 496 N ARG A 479 2.843 0.043 9.659 1.00 0.00 N ATOM 497 CA ARG A 479 4.250 0.368 9.457 1.00 0.00 C ATOM 498 C ARG A 479 5.140 -0.813 9.835 1.00 0.00 C ATOM 499 O ARG A 479 6.024 -1.204 9.074 1.00 0.00 O ATOM 500 CB ARG A 479 4.636 1.596 10.285 1.00 0.00 C ATOM 501 CG ARG A 479 5.836 2.348 9.735 1.00 0.00 C ATOM 502 CD ARG A 479 6.087 3.635 10.505 1.00 0.00 C ATOM 503 NE ARG A 479 6.772 3.391 11.771 1.00 0.00 N ATOM 504 CZ ARG A 479 8.046 3.025 11.860 1.00 0.00 C ATOM 505 NH1 ARG A 479 8.770 2.862 10.761 1.00 0.00 N ATOM 506 NH2 ARG A 479 8.598 2.821 13.049 1.00 0.00 N ATOM 0 H ARG A 479 2.312 0.758 10.157 1.00 0.00 H new ATOM 0 HA ARG A 479 4.398 0.590 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.784 2.274 10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.851 1.282 11.306 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.720 1.713 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.671 2.579 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.684 4.312 9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 479 5.137 4.133 10.697 1.00 0.00 H new ATOM 0 HE ARG A 479 6.243 3.508 12.635 1.00 0.00 H new ATOM 0 HH11 ARG A 479 8.349 3.018 9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 479 9.748 2.581 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 479 8.044 2.945 13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 479 9.576 2.540 13.116 1.00 0.00 H new ATOM 520 N GLU A 480 4.899 -1.375 11.015 1.00 0.00 N ATOM 521 CA GLU A 480 5.680 -2.510 11.494 1.00 0.00 C ATOM 522 C GLU A 480 5.294 -3.787 10.752 1.00 0.00 C ATOM 523 O GLU A 480 6.132 -4.659 10.518 1.00 0.00 O ATOM 524 CB GLU A 480 5.476 -2.700 12.998 1.00 0.00 C ATOM 525 CG GLU A 480 4.115 -3.271 13.361 1.00 0.00 C ATOM 526 CD GLU A 480 4.100 -3.914 14.734 1.00 0.00 C ATOM 527 OE1 GLU A 480 4.311 -3.191 15.730 1.00 0.00 O ATOM 528 OE2 GLU A 480 3.875 -5.140 14.812 1.00 0.00 O ATOM 0 H GLU A 480 4.170 -1.063 11.657 1.00 0.00 H new ATOM 0 HA GLU A 480 6.732 -2.301 11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.252 -3.363 13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.602 -1.739 13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.371 -2.475 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 480 3.824 -4.010 12.614 1.00 0.00 H new ATOM 535 N LEU A 481 4.022 -3.889 10.385 1.00 0.00 N ATOM 536 CA LEU A 481 3.524 -5.059 9.670 1.00 0.00 C ATOM 537 C LEU A 481 4.273 -5.254 8.356 1.00 0.00 C ATOM 538 O LEU A 481 4.516 -6.383 7.929 1.00 0.00 O ATOM 539 CB LEU A 481 2.025 -4.916 9.398 1.00 0.00 C ATOM 540 CG LEU A 481 1.305 -6.178 8.925 1.00 0.00 C ATOM 541 CD1 LEU A 481 0.994 -7.089 10.102 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.030 -5.816 8.177 1.00 0.00 C ATOM 0 H LEU A 481 3.316 -3.176 10.570 1.00 0.00 H new ATOM 0 HA LEU A 481 3.692 -5.935 10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.542 -4.567 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.885 -4.139 8.647 1.00 0.00 H new ATOM 0 HG LEU A 481 1.964 -6.714 8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.481 -7.982 9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.923 -7.376 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.355 -6.562 10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.470 -6.727 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.633 -5.257 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.278 -5.204 7.310 1.00 0.00 H new ATOM 554 N PHE A 482 4.640 -4.146 7.719 1.00 0.00 N ATOM 555 CA PHE A 482 5.364 -4.195 6.454 1.00 0.00 C ATOM 556 C PHE A 482 6.863 -4.019 6.678 1.00 0.00 C ATOM 557 O PHE A 482 7.678 -4.702 6.059 1.00 0.00 O ATOM 558 CB PHE A 482 4.847 -3.112 5.505 1.00 0.00 C ATOM 559 CG PHE A 482 3.508 -3.431 4.905 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.415 -4.164 3.732 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.341 -2.997 5.513 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.184 -4.457 3.178 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.106 -3.288 4.963 1.00 0.00 C ATOM 564 CZ PHE A 482 1.028 -4.020 3.794 1.00 0.00 C ATOM 0 H PHE A 482 4.448 -3.204 8.058 1.00 0.00 H new ATOM 0 HA PHE A 482 5.195 -5.173 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.778 -2.168 6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.571 -2.967 4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.315 -4.510 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.397 -2.425 6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.126 -5.028 2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.204 -2.944 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.065 -4.250 3.363 1.00 0.00 H new ATOM 574 N SER A 483 7.218 -3.097 7.567 1.00 0.00 N ATOM 575 CA SER A 483 8.618 -2.826 7.870 1.00 0.00 C ATOM 576 C SER A 483 9.386 -4.125 8.094 1.00 0.00 C ATOM 577 O SER A 483 10.459 -4.333 7.525 1.00 0.00 O ATOM 578 CB SER A 483 8.731 -1.935 9.109 1.00 0.00 C ATOM 579 OG SER A 483 10.086 -1.663 9.420 1.00 0.00 O ATOM 0 H SER A 483 6.555 -2.525 8.090 1.00 0.00 H new ATOM 0 HA SER A 483 9.055 -2.307 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.199 -0.999 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.251 -2.424 9.957 1.00 0.00 H new ATOM 0 HG SER A 483 10.131 -1.091 10.214 1.00 0.00 H new ATOM 585 N THR A 484 8.830 -4.999 8.927 1.00 0.00 N ATOM 586 CA THR A 484 9.461 -6.278 9.228 1.00 0.00 C ATOM 587 C THR A 484 10.098 -6.883 7.982 1.00 0.00 C ATOM 588 O THR A 484 11.059 -7.648 8.072 1.00 0.00 O ATOM 589 CB THR A 484 8.449 -7.281 9.811 1.00 0.00 C ATOM 590 OG1 THR A 484 9.104 -8.518 10.115 1.00 0.00 O ATOM 591 CG2 THR A 484 7.310 -7.531 8.834 1.00 0.00 C ATOM 0 H THR A 484 7.943 -4.844 9.406 1.00 0.00 H new ATOM 0 HA THR A 484 10.235 -6.081 9.970 1.00 0.00 H new ATOM 0 HB THR A 484 8.035 -6.855 10.725 1.00 0.00 H new ATOM 0 HG1 THR A 484 8.454 -9.150 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 484 6.608 -8.243 9.268 1.00 0.00 H new ATOM 0 HG22 THR A 484 6.795 -6.593 8.628 1.00 0.00 H new ATOM 0 HG23 THR A 484 7.710 -7.937 7.905 1.00 0.00 H new ATOM 599 N PHE A 485 9.559 -6.534 6.818 1.00 0.00 N ATOM 600 CA PHE A 485 10.075 -7.044 5.553 1.00 0.00 C ATOM 601 C PHE A 485 11.229 -6.182 5.050 1.00 0.00 C ATOM 602 O PHE A 485 12.224 -6.694 4.538 1.00 0.00 O ATOM 603 CB PHE A 485 8.962 -7.087 4.504 1.00 0.00 C ATOM 604 CG PHE A 485 8.021 -8.246 4.677 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.904 -8.133 5.489 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.253 -9.447 4.026 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.037 -9.197 5.650 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.390 -10.514 4.183 1.00 0.00 C ATOM 609 CZ PHE A 485 6.280 -10.389 4.995 1.00 0.00 C ATOM 0 H PHE A 485 8.765 -5.900 6.725 1.00 0.00 H new ATOM 0 HA PHE A 485 10.446 -8.055 5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.394 -6.158 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.410 -7.138 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.709 -7.203 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.119 -9.550 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.171 -9.097 6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.583 -11.445 3.671 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.603 -11.222 5.118 1.00 0.00 H new ATOM 619 N GLY A 486 11.088 -4.868 5.200 1.00 0.00 N ATOM 620 CA GLY A 486 12.125 -3.955 4.756 1.00 0.00 C ATOM 621 C GLY A 486 11.802 -2.510 5.077 1.00 0.00 C ATOM 622 O GLY A 486 10.734 -2.210 5.610 1.00 0.00 O ATOM 0 H GLY A 486 10.274 -4.420 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.070 -4.226 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.263 -4.063 3.680 1.00 0.00 H new ATOM 626 N GLU A 487 12.727 -1.612 4.754 1.00 0.00 N ATOM 627 CA GLU A 487 12.535 -0.190 5.014 1.00 0.00 C ATOM 628 C GLU A 487 11.359 0.357 4.209 1.00 0.00 C ATOM 629 O GLU A 487 11.222 0.073 3.018 1.00 0.00 O ATOM 630 CB GLU A 487 13.807 0.590 4.674 1.00 0.00 C ATOM 631 CG GLU A 487 13.721 2.070 5.009 1.00 0.00 C ATOM 632 CD GLU A 487 15.081 2.741 5.038 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.587 3.100 3.954 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.639 2.906 6.142 1.00 0.00 O ATOM 0 H GLU A 487 13.617 -1.844 4.312 1.00 0.00 H new ATOM 0 HA GLU A 487 12.315 -0.068 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.647 0.152 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.018 0.478 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 487 13.089 2.569 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.239 2.192 5.979 1.00 0.00 H new ATOM 641 N LEU A 488 10.514 1.141 4.867 1.00 0.00 N ATOM 642 CA LEU A 488 9.348 1.728 4.215 1.00 0.00 C ATOM 643 C LEU A 488 9.569 3.212 3.937 1.00 0.00 C ATOM 644 O LEU A 488 10.097 3.940 4.778 1.00 0.00 O ATOM 645 CB LEU A 488 8.104 1.540 5.083 1.00 0.00 C ATOM 646 CG LEU A 488 7.656 0.095 5.310 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.394 0.054 6.158 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.429 -0.608 3.979 1.00 0.00 C ATOM 0 H LEU A 488 10.614 1.386 5.852 1.00 0.00 H new ATOM 0 HA LEU A 488 9.199 1.217 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.290 1.998 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.280 2.087 4.625 1.00 0.00 H new ATOM 0 HG LEU A 488 8.446 -0.430 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.090 -0.982 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.590 0.519 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.596 0.595 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.111 -1.635 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.657 -0.082 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.356 -0.611 3.406 1.00 0.00 H new ATOM 660 N LYS A 489 9.159 3.654 2.754 1.00 0.00 N ATOM 661 CA LYS A 489 9.308 5.052 2.365 1.00 0.00 C ATOM 662 C LYS A 489 8.404 5.949 3.205 1.00 0.00 C ATOM 663 O LYS A 489 8.849 6.958 3.754 1.00 0.00 O ATOM 664 CB LYS A 489 8.981 5.228 0.881 1.00 0.00 C ATOM 665 CG LYS A 489 10.179 5.030 -0.033 1.00 0.00 C ATOM 666 CD LYS A 489 10.028 5.811 -1.327 1.00 0.00 C ATOM 667 CE LYS A 489 11.154 5.499 -2.301 1.00 0.00 C ATOM 668 NZ LYS A 489 10.789 5.850 -3.702 1.00 0.00 N ATOM 0 H LYS A 489 8.720 3.064 2.047 1.00 0.00 H new ATOM 0 HA LYS A 489 10.344 5.343 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.201 4.519 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.575 6.227 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.086 5.348 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.295 3.970 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.070 5.571 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 489 10.019 6.879 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.049 6.049 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.400 4.439 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 11.582 5.622 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 9.950 5.306 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 10.579 6.867 -3.762 1.00 0.00 H new ATOM 682 N THR A 490 7.132 5.575 3.302 1.00 0.00 N ATOM 683 CA THR A 490 6.166 6.346 4.075 1.00 0.00 C ATOM 684 C THR A 490 4.834 5.611 4.180 1.00 0.00 C ATOM 685 O THR A 490 4.339 5.060 3.197 1.00 0.00 O ATOM 686 CB THR A 490 5.926 7.733 3.451 1.00 0.00 C ATOM 687 OG1 THR A 490 5.178 8.554 4.355 1.00 0.00 O ATOM 688 CG2 THR A 490 5.178 7.612 2.132 1.00 0.00 C ATOM 0 H THR A 490 6.747 4.743 2.855 1.00 0.00 H new ATOM 0 HA THR A 490 6.588 6.473 5.072 1.00 0.00 H new ATOM 0 HB THR A 490 6.896 8.193 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 490 5.031 9.435 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.020 8.605 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.763 7.011 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.214 7.133 2.303 1.00 0.00 H new ATOM 696 N VAL A 491 4.258 5.607 5.378 1.00 0.00 N ATOM 697 CA VAL A 491 2.982 4.941 5.611 1.00 0.00 C ATOM 698 C VAL A 491 1.832 5.942 5.612 1.00 0.00 C ATOM 699 O VAL A 491 1.921 7.004 6.229 1.00 0.00 O ATOM 700 CB VAL A 491 2.984 4.176 6.947 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.581 3.700 7.292 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.954 3.005 6.889 1.00 0.00 C ATOM 0 H VAL A 491 4.655 6.058 6.202 1.00 0.00 H new ATOM 0 HA VAL A 491 2.841 4.232 4.795 1.00 0.00 H new ATOM 0 HB VAL A 491 3.315 4.854 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.602 3.161 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.916 4.559 7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.218 3.038 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.943 2.476 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.655 2.324 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.960 3.375 6.692 1.00 0.00 H new ATOM 712 N ARG A 492 0.753 5.596 4.919 1.00 0.00 N ATOM 713 CA ARG A 492 -0.415 6.465 4.840 1.00 0.00 C ATOM 714 C ARG A 492 -1.671 5.731 5.303 1.00 0.00 C ATOM 715 O ARG A 492 -1.997 4.656 4.797 1.00 0.00 O ATOM 716 CB ARG A 492 -0.606 6.969 3.408 1.00 0.00 C ATOM 717 CG ARG A 492 0.413 8.017 2.991 1.00 0.00 C ATOM 718 CD ARG A 492 -0.061 8.804 1.779 1.00 0.00 C ATOM 719 NE ARG A 492 -0.851 9.972 2.159 1.00 0.00 N ATOM 720 CZ ARG A 492 -1.398 10.806 1.282 1.00 0.00 C ATOM 721 NH1 ARG A 492 -1.243 10.601 -0.019 1.00 0.00 N ATOM 722 NH2 ARG A 492 -2.104 11.847 1.705 1.00 0.00 N ATOM 0 H ARG A 492 0.663 4.720 4.404 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.248 7.317 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.546 6.123 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.607 7.388 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.595 8.700 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.362 7.532 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.802 9.124 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.658 8.156 1.137 1.00 0.00 H new ATOM 0 HE ARG A 492 -0.990 10.157 3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 492 -0.703 9.801 -0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 492 -1.664 11.243 -0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -2.227 12.007 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -2.524 12.487 1.030 1.00 0.00 H new ATOM 736 N LEU A 493 -2.370 6.318 6.268 1.00 0.00 N ATOM 737 CA LEU A 493 -3.590 5.721 6.800 1.00 0.00 C ATOM 738 C LEU A 493 -4.647 6.788 7.068 1.00 0.00 C ATOM 739 O LEU A 493 -4.343 7.909 7.474 1.00 0.00 O ATOM 740 CB LEU A 493 -3.286 4.954 8.088 1.00 0.00 C ATOM 741 CG LEU A 493 -2.830 3.505 7.915 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.322 3.438 7.728 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.258 2.665 9.110 1.00 0.00 C ATOM 0 H LEU A 493 -2.113 7.207 6.698 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.981 5.028 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.513 5.494 8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.181 4.960 8.711 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.305 3.100 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.016 2.399 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.040 4.005 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.828 3.862 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.925 1.637 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.812 3.070 10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.344 2.686 9.199 1.00 0.00 H new ATOM 899 N ARG A 504 -11.440 4.371 7.801 1.00 0.00 N ATOM 900 CA ARG A 504 -11.849 3.497 6.708 1.00 0.00 C ATOM 901 C ARG A 504 -10.864 2.343 6.537 1.00 0.00 C ATOM 902 O ARG A 504 -9.673 2.485 6.811 1.00 0.00 O ATOM 903 CB ARG A 504 -11.954 4.290 5.404 1.00 0.00 C ATOM 904 CG ARG A 504 -13.162 5.210 5.347 1.00 0.00 C ATOM 905 CD ARG A 504 -12.862 6.562 5.974 1.00 0.00 C ATOM 906 NE ARG A 504 -13.724 7.615 5.443 1.00 0.00 N ATOM 907 CZ ARG A 504 -13.597 8.122 4.222 1.00 0.00 C ATOM 908 NH1 ARG A 504 -12.650 7.675 3.410 1.00 0.00 N ATOM 909 NH2 ARG A 504 -14.420 9.078 3.811 1.00 0.00 N ATOM 0 HA ARG A 504 -12.827 3.084 6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -11.049 4.884 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.999 3.593 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -13.467 5.348 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -14.000 4.745 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -12.992 6.497 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -11.819 6.822 5.793 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.464 7.981 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -12.016 6.939 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -12.555 8.066 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.151 9.424 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -14.322 9.467 2.873 1.00 0.00 H new ATOM 923 N GLY A 505 -11.371 1.201 6.082 1.00 0.00 N ATOM 924 CA GLY A 505 -10.524 0.040 5.883 1.00 0.00 C ATOM 925 C GLY A 505 -9.672 0.152 4.634 1.00 0.00 C ATOM 926 O GLY A 505 -9.868 -0.590 3.672 1.00 0.00 O ATOM 0 H GLY A 505 -12.354 1.060 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.877 -0.087 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.146 -0.853 5.816 1.00 0.00 H new ATOM 930 N PHE A 506 -8.724 1.084 4.648 1.00 0.00 N ATOM 931 CA PHE A 506 -7.840 1.292 3.506 1.00 0.00 C ATOM 932 C PHE A 506 -6.547 1.977 3.938 1.00 0.00 C ATOM 933 O PHE A 506 -6.558 2.875 4.779 1.00 0.00 O ATOM 934 CB PHE A 506 -8.543 2.130 2.437 1.00 0.00 C ATOM 935 CG PHE A 506 -8.335 3.609 2.601 1.00 0.00 C ATOM 936 CD1 PHE A 506 -7.230 4.232 2.044 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.244 4.375 3.313 1.00 0.00 C ATOM 938 CE1 PHE A 506 -7.036 5.592 2.195 1.00 0.00 C ATOM 939 CE2 PHE A 506 -9.055 5.736 3.466 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.950 6.345 2.906 1.00 0.00 C ATOM 0 H PHE A 506 -8.548 1.707 5.437 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.591 0.317 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -8.182 1.827 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.612 1.916 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -6.513 3.649 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.110 3.903 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -6.170 6.066 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -9.771 6.322 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.800 7.408 3.024 1.00 0.00 H new ATOM 950 N GLY A 507 -5.433 1.547 3.354 1.00 0.00 N ATOM 951 CA GLY A 507 -4.147 2.128 3.690 1.00 0.00 C ATOM 952 C GLY A 507 -3.125 1.954 2.585 1.00 0.00 C ATOM 953 O GLY A 507 -3.178 0.985 1.827 1.00 0.00 O ATOM 0 H GLY A 507 -5.398 0.806 2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.275 3.190 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.771 1.667 4.604 1.00 0.00 H new ATOM 957 N PHE A 508 -2.192 2.896 2.489 1.00 0.00 N ATOM 958 CA PHE A 508 -1.154 2.844 1.466 1.00 0.00 C ATOM 959 C PHE A 508 0.221 2.646 2.096 1.00 0.00 C ATOM 960 O PHE A 508 0.535 3.239 3.128 1.00 0.00 O ATOM 961 CB PHE A 508 -1.166 4.127 0.632 1.00 0.00 C ATOM 962 CG PHE A 508 -2.185 4.115 -0.471 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.539 4.155 -0.182 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.788 4.065 -1.798 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.479 4.144 -1.195 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.723 4.054 -2.816 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.070 4.095 -2.514 1.00 0.00 C ATOM 0 H PHE A 508 -2.134 3.705 3.108 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.362 1.994 0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.362 4.975 1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.177 4.280 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.864 4.195 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.736 4.034 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.532 4.174 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.401 4.013 -3.846 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.803 4.089 -3.308 1.00 0.00 H new ATOM 977 N VAL A 509 1.038 1.807 1.467 1.00 0.00 N ATOM 978 CA VAL A 509 2.381 1.530 1.964 1.00 0.00 C ATOM 979 C VAL A 509 3.410 1.611 0.842 1.00 0.00 C ATOM 980 O VAL A 509 3.287 0.932 -0.177 1.00 0.00 O ATOM 981 CB VAL A 509 2.460 0.138 2.619 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.811 -0.060 3.290 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.327 -0.046 3.617 1.00 0.00 C ATOM 0 H VAL A 509 0.793 1.307 0.612 1.00 0.00 H new ATOM 0 HA VAL A 509 2.605 2.290 2.713 1.00 0.00 H new ATOM 0 HB VAL A 509 2.354 -0.618 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.849 -1.049 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.603 0.026 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 509 3.951 0.701 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.398 -1.035 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.399 0.715 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.370 0.050 3.103 1.00 0.00 H new ATOM 993 N ASP A 510 4.424 2.447 1.037 1.00 0.00 N ATOM 994 CA ASP A 510 5.477 2.616 0.042 1.00 0.00 C ATOM 995 C ASP A 510 6.797 2.039 0.544 1.00 0.00 C ATOM 996 O ASP A 510 7.136 2.168 1.721 1.00 0.00 O ATOM 997 CB ASP A 510 5.651 4.097 -0.300 1.00 0.00 C ATOM 998 CG ASP A 510 4.367 4.730 -0.798 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.627 4.060 -1.550 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.101 5.895 -0.436 1.00 0.00 O ATOM 0 H ASP A 510 4.539 3.018 1.874 1.00 0.00 H new ATOM 0 HA ASP A 510 5.183 2.075 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 510 5.998 4.633 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.424 4.203 -1.061 1.00 0.00 H new ATOM 1005 N PHE A 511 7.539 1.402 -0.356 1.00 0.00 N ATOM 1006 CA PHE A 511 8.821 0.803 -0.004 1.00 0.00 C ATOM 1007 C PHE A 511 9.972 1.554 -0.666 1.00 0.00 C ATOM 1008 O PHE A 511 9.769 2.306 -1.620 1.00 0.00 O ATOM 1009 CB PHE A 511 8.852 -0.669 -0.419 1.00 0.00 C ATOM 1010 CG PHE A 511 8.146 -1.579 0.545 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.767 -1.535 0.678 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.861 -2.479 1.319 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.116 -2.370 1.565 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.215 -3.318 2.207 1.00 0.00 C ATOM 1015 CZ PHE A 511 6.840 -3.264 2.330 1.00 0.00 C ATOM 0 H PHE A 511 7.274 1.287 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 511 8.940 0.871 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.395 -0.770 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.889 -0.989 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.195 -0.840 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 511 9.936 -2.525 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.041 -2.324 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 511 8.784 -4.015 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.332 -3.919 3.023 1.00 0.00 H new ATOM 1025 N ILE A 512 11.180 1.346 -0.153 1.00 0.00 N ATOM 1026 CA ILE A 512 12.363 2.002 -0.694 1.00 0.00 C ATOM 1027 C ILE A 512 12.765 1.394 -2.034 1.00 0.00 C ATOM 1028 O ILE A 512 13.088 2.110 -2.982 1.00 0.00 O ATOM 1029 CB ILE A 512 13.554 1.907 0.278 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.135 2.357 1.678 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.718 2.746 -0.228 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.635 3.784 1.730 1.00 0.00 C ATOM 0 H ILE A 512 11.365 0.728 0.637 1.00 0.00 H new ATOM 0 HA ILE A 512 12.104 3.051 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 512 13.877 0.868 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.353 1.693 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.984 2.253 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.552 2.669 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.029 2.383 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.408 3.788 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.356 4.035 2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.423 4.458 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.766 3.889 1.081 1.00 0.00 H new ATOM 1044 N THR A 513 12.741 0.067 -2.106 1.00 0.00 N ATOM 1045 CA THR A 513 13.101 -0.639 -3.329 1.00 0.00 C ATOM 1046 C THR A 513 11.894 -1.349 -3.931 1.00 0.00 C ATOM 1047 O THR A 513 10.787 -1.276 -3.396 1.00 0.00 O ATOM 1048 CB THR A 513 14.216 -1.671 -3.074 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.683 -2.806 -2.381 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.346 -1.058 -2.261 1.00 0.00 C ATOM 0 H THR A 513 12.476 -0.541 -1.331 1.00 0.00 H new ATOM 0 HA THR A 513 13.464 0.111 -4.031 1.00 0.00 H new ATOM 0 HB THR A 513 14.615 -1.988 -4.038 1.00 0.00 H new ATOM 0 HG1 THR A 513 13.963 -2.777 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.121 -1.806 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.768 -0.213 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 513 14.959 -0.715 -1.301 1.00 0.00 H new ATOM 1058 N LYS A 514 12.113 -2.037 -5.046 1.00 0.00 N ATOM 1059 CA LYS A 514 11.044 -2.763 -5.721 1.00 0.00 C ATOM 1060 C LYS A 514 10.911 -4.177 -5.165 1.00 0.00 C ATOM 1061 O LYS A 514 9.804 -4.658 -4.926 1.00 0.00 O ATOM 1062 CB LYS A 514 11.308 -2.818 -7.227 1.00 0.00 C ATOM 1063 CG LYS A 514 10.749 -1.627 -7.987 1.00 0.00 C ATOM 1064 CD LYS A 514 11.741 -0.476 -8.026 1.00 0.00 C ATOM 1065 CE LYS A 514 12.690 -0.599 -9.208 1.00 0.00 C ATOM 1066 NZ LYS A 514 13.666 -1.708 -9.023 1.00 0.00 N ATOM 0 H LYS A 514 13.023 -2.107 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 514 10.109 -2.232 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 514 12.383 -2.875 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.873 -3.732 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 514 10.499 -1.928 -9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.824 -1.295 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 514 11.201 0.469 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 514 12.314 -0.456 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.116 -0.769 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 514 13.228 0.340 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 14.520 -1.516 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 13.922 -1.781 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 13.239 -2.603 -9.338 1.00 0.00 H new ATOM 1080 N GLN A 515 12.047 -4.836 -4.960 1.00 0.00 N ATOM 1081 CA GLN A 515 12.057 -6.195 -4.432 1.00 0.00 C ATOM 1082 C GLN A 515 11.239 -6.285 -3.147 1.00 0.00 C ATOM 1083 O GLN A 515 10.241 -7.003 -3.084 1.00 0.00 O ATOM 1084 CB GLN A 515 13.492 -6.653 -4.169 1.00 0.00 C ATOM 1085 CG GLN A 515 14.290 -6.912 -5.438 1.00 0.00 C ATOM 1086 CD GLN A 515 15.629 -7.567 -5.162 1.00 0.00 C ATOM 1087 OE1 GLN A 515 15.695 -8.648 -4.576 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.705 -6.914 -5.583 1.00 0.00 N ATOM 0 H GLN A 515 12.972 -4.451 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 515 11.605 -6.850 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.004 -5.895 -3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.470 -7.564 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 515 13.709 -7.549 -6.104 1.00 0.00 H new ATOM 0 HG3 GLN A 515 14.452 -5.969 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.603 -6.021 -6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.633 -7.306 -5.425 1.00 0.00 H new ATOM 1097 N ASP A 516 11.669 -5.553 -2.126 1.00 0.00 N ATOM 1098 CA ASP A 516 10.976 -5.549 -0.843 1.00 0.00 C ATOM 1099 C ASP A 516 9.476 -5.352 -1.035 1.00 0.00 C ATOM 1100 O ASP A 516 8.665 -5.943 -0.323 1.00 0.00 O ATOM 1101 CB ASP A 516 11.536 -4.449 0.060 1.00 0.00 C ATOM 1102 CG ASP A 516 12.929 -4.768 0.566 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.188 -5.946 0.890 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.761 -3.840 0.637 1.00 0.00 O ATOM 0 H ASP A 516 12.494 -4.955 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 516 11.139 -6.516 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.559 -3.508 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 516 10.868 -4.305 0.909 1.00 0.00 H new ATOM 1109 N ALA A 517 9.113 -4.516 -2.003 1.00 0.00 N ATOM 1110 CA ALA A 517 7.711 -4.241 -2.290 1.00 0.00 C ATOM 1111 C ALA A 517 7.023 -5.464 -2.888 1.00 0.00 C ATOM 1112 O ALA A 517 5.845 -5.713 -2.634 1.00 0.00 O ATOM 1113 CB ALA A 517 7.588 -3.052 -3.231 1.00 0.00 C ATOM 0 H ALA A 517 9.771 -4.017 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 517 7.214 -4.000 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.535 -2.858 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 517 8.035 -2.173 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.106 -3.272 -4.165 1.00 0.00 H new ATOM 1119 N LYS A 518 7.767 -6.225 -3.684 1.00 0.00 N ATOM 1120 CA LYS A 518 7.230 -7.423 -4.319 1.00 0.00 C ATOM 1121 C LYS A 518 7.134 -8.571 -3.320 1.00 0.00 C ATOM 1122 O LYS A 518 6.059 -9.131 -3.103 1.00 0.00 O ATOM 1123 CB LYS A 518 8.107 -7.834 -5.503 1.00 0.00 C ATOM 1124 CG LYS A 518 7.866 -7.008 -6.755 1.00 0.00 C ATOM 1125 CD LYS A 518 8.217 -7.786 -8.012 1.00 0.00 C ATOM 1126 CE LYS A 518 8.348 -6.867 -9.217 1.00 0.00 C ATOM 1127 NZ LYS A 518 9.617 -6.089 -9.187 1.00 0.00 N ATOM 0 H LYS A 518 8.744 -6.033 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 518 6.227 -7.195 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.155 -7.746 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.926 -8.885 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.820 -6.703 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.463 -6.097 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 518 9.153 -8.323 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.448 -8.534 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 518 8.307 -7.459 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 518 7.502 -6.180 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 9.750 -5.606 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 9.574 -5.383 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 10.415 -6.733 -9.017 1.00 0.00 H new ATOM 1141 N LYS A 519 8.264 -8.917 -2.712 1.00 0.00 N ATOM 1142 CA LYS A 519 8.308 -9.996 -1.733 1.00 0.00 C ATOM 1143 C LYS A 519 7.286 -9.768 -0.625 1.00 0.00 C ATOM 1144 O LYS A 519 6.670 -10.712 -0.131 1.00 0.00 O ATOM 1145 CB LYS A 519 9.711 -10.111 -1.133 1.00 0.00 C ATOM 1146 CG LYS A 519 10.225 -8.812 -0.536 1.00 0.00 C ATOM 1147 CD LYS A 519 11.219 -9.068 0.585 1.00 0.00 C ATOM 1148 CE LYS A 519 12.360 -9.962 0.124 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.443 -9.182 -0.537 1.00 0.00 N ATOM 0 H LYS A 519 9.163 -8.465 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 519 8.061 -10.927 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.705 -10.879 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.402 -10.444 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.700 -8.215 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.387 -8.229 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.620 -8.119 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 519 10.707 -9.534 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.769 -10.499 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 519 11.977 -10.711 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.202 -9.827 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 13.058 -8.690 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.826 -8.484 0.132 1.00 0.00 H new ATOM 1163 N ALA A 520 7.110 -8.508 -0.239 1.00 0.00 N ATOM 1164 CA ALA A 520 6.160 -8.156 0.809 1.00 0.00 C ATOM 1165 C ALA A 520 4.724 -8.258 0.305 1.00 0.00 C ATOM 1166 O ALA A 520 3.900 -8.961 0.889 1.00 0.00 O ATOM 1167 CB ALA A 520 6.441 -6.753 1.326 1.00 0.00 C ATOM 0 H ALA A 520 7.613 -7.715 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 520 6.281 -8.865 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.724 -6.503 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.451 -6.711 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.349 -6.039 0.508 1.00 0.00 H new ATOM 1173 N PHE A 521 4.432 -7.552 -0.782 1.00 0.00 N ATOM 1174 CA PHE A 521 3.094 -7.562 -1.363 1.00 0.00 C ATOM 1175 C PHE A 521 2.541 -8.983 -1.428 1.00 0.00 C ATOM 1176 O PHE A 521 1.451 -9.259 -0.928 1.00 0.00 O ATOM 1177 CB PHE A 521 3.119 -6.948 -2.764 1.00 0.00 C ATOM 1178 CG PHE A 521 1.785 -6.971 -3.453 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.313 -8.133 -4.041 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.001 -5.829 -3.510 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.086 -8.156 -4.676 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.228 -5.847 -4.144 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.686 -7.012 -4.726 1.00 0.00 C ATOM 0 H PHE A 521 5.103 -6.966 -1.278 1.00 0.00 H new ATOM 0 HA PHE A 521 2.443 -6.966 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.465 -5.917 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 521 3.844 -7.486 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 521 1.911 -9.032 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.354 -4.916 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -0.269 -9.068 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.829 -4.950 -4.184 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.646 -7.029 -5.220 1.00 0.00 H new ATOM 1193 N ASN A 522 3.300 -9.879 -2.050 1.00 0.00 N ATOM 1194 CA ASN A 522 2.885 -11.271 -2.182 1.00 0.00 C ATOM 1195 C ASN A 522 2.930 -11.983 -0.833 1.00 0.00 C ATOM 1196 O ASN A 522 2.009 -12.717 -0.477 1.00 0.00 O ATOM 1197 CB ASN A 522 3.782 -11.999 -3.185 1.00 0.00 C ATOM 1198 CG ASN A 522 5.166 -12.274 -2.630 1.00 0.00 C ATOM 1199 OD1 ASN A 522 6.146 -11.650 -3.037 1.00 0.00 O ATOM 1200 ND2 ASN A 522 5.253 -13.214 -1.695 1.00 0.00 N ATOM 0 H ASN A 522 4.205 -9.667 -2.470 1.00 0.00 H new ATOM 0 HA ASN A 522 1.858 -11.285 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 522 3.314 -12.941 -3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 522 3.870 -11.400 -4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 522 6.158 -13.443 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 522 4.414 -13.706 -1.387 1.00 0.00 H new ATOM 1207 N ALA A 523 4.007 -11.759 -0.088 1.00 0.00 N ATOM 1208 CA ALA A 523 4.171 -12.376 1.222 1.00 0.00 C ATOM 1209 C ALA A 523 2.894 -12.259 2.048 1.00 0.00 C ATOM 1210 O ALA A 523 2.367 -13.258 2.539 1.00 0.00 O ATOM 1211 CB ALA A 523 5.340 -11.742 1.962 1.00 0.00 C ATOM 0 H ALA A 523 4.779 -11.155 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 523 4.381 -13.435 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.451 -12.213 2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.255 -11.882 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.153 -10.676 2.092 1.00 0.00 H new ATOM 1217 N LEU A 524 2.402 -11.035 2.197 1.00 0.00 N ATOM 1218 CA LEU A 524 1.186 -10.787 2.964 1.00 0.00 C ATOM 1219 C LEU A 524 -0.052 -11.172 2.161 1.00 0.00 C ATOM 1220 O LEU A 524 -0.882 -11.957 2.620 1.00 0.00 O ATOM 1221 CB LEU A 524 1.107 -9.314 3.371 1.00 0.00 C ATOM 1222 CG LEU A 524 2.027 -8.884 4.515 1.00 0.00 C ATOM 1223 CD1 LEU A 524 3.470 -8.811 4.041 1.00 0.00 C ATOM 1224 CD2 LEU A 524 1.581 -7.544 5.081 1.00 0.00 C ATOM 0 H LEU A 524 2.826 -10.198 1.797 1.00 0.00 H new ATOM 0 HA LEU A 524 1.220 -11.404 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.336 -8.704 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.079 -9.091 3.655 1.00 0.00 H new ATOM 0 HG LEU A 524 1.964 -9.630 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 524 4.110 -8.504 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 524 3.785 -9.791 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 524 3.551 -8.086 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 524 2.246 -7.253 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.615 -6.788 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 524 0.562 -7.630 5.459 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.168 -10.615 0.961 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.305 -10.901 0.093 1.00 0.00 C ATOM 1238 C CYS A 525 -1.766 -12.346 0.258 1.00 0.00 C ATOM 1239 O CYS A 525 -2.942 -12.608 0.511 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.938 -10.634 -1.368 1.00 0.00 C ATOM 1241 SG CYS A 525 -2.225 -11.099 -2.549 1.00 0.00 S ATOM 0 H CYS A 525 0.510 -9.963 0.567 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.124 -10.242 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.716 -9.574 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.025 -11.180 -1.608 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.823 -10.833 -3.756 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.832 -13.280 0.112 1.00 0.00 N ATOM 1248 CA HIS A 526 -1.142 -14.699 0.244 1.00 0.00 C ATOM 1249 C HIS A 526 -2.166 -14.930 1.352 1.00 0.00 C ATOM 1250 O HIS A 526 -3.288 -15.363 1.092 1.00 0.00 O ATOM 1251 CB HIS A 526 0.130 -15.496 0.535 1.00 0.00 C ATOM 1252 CG HIS A 526 -0.029 -16.972 0.333 1.00 0.00 C ATOM 1253 ND1 HIS A 526 -0.332 -17.536 -0.888 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.077 -18.001 1.206 1.00 0.00 C ATOM 1255 CE1 HIS A 526 -0.407 -18.848 -0.757 1.00 0.00 C ATOM 1256 NE2 HIS A 526 -0.162 -19.156 0.504 1.00 0.00 N ATOM 0 H HIS A 526 0.146 -13.080 -0.098 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.568 -15.042 -0.699 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.931 -15.134 -0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.439 -15.309 1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 526 0.307 -17.927 2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 526 -0.631 -19.550 -1.547 1.00 0.00 H new ATOM 0 HE2 HIS A 526 -0.152 -20.099 0.893 1.00 0.00 H new ATOM 1264 N SER A 527 -1.770 -14.640 2.587 1.00 0.00 N ATOM 1265 CA SER A 527 -2.651 -14.820 3.735 1.00 0.00 C ATOM 1266 C SER A 527 -2.249 -13.896 4.880 1.00 0.00 C ATOM 1267 O SER A 527 -1.228 -14.108 5.536 1.00 0.00 O ATOM 1268 CB SER A 527 -2.620 -16.276 4.204 1.00 0.00 C ATOM 1269 OG SER A 527 -1.319 -16.648 4.626 1.00 0.00 O ATOM 0 H SER A 527 -0.844 -14.279 2.818 1.00 0.00 H new ATOM 0 HA SER A 527 -3.665 -14.566 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.325 -16.412 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 527 -2.944 -16.929 3.394 1.00 0.00 H new ATOM 0 HG SER A 527 -0.943 -15.940 5.190 1.00 0.00 H new ATOM 1275 N THR A 528 -3.059 -12.868 5.115 1.00 0.00 N ATOM 1276 CA THR A 528 -2.788 -11.910 6.179 1.00 0.00 C ATOM 1277 C THR A 528 -3.982 -11.779 7.118 1.00 0.00 C ATOM 1278 O THR A 528 -4.998 -11.180 6.767 1.00 0.00 O ATOM 1279 CB THR A 528 -2.444 -10.520 5.609 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.421 -10.639 4.614 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.978 -9.583 6.713 1.00 0.00 C ATOM 0 H THR A 528 -3.908 -12.678 4.582 1.00 0.00 H new ATOM 0 HA THR A 528 -1.931 -12.290 6.735 1.00 0.00 H new ATOM 0 HB THR A 528 -3.344 -10.104 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.696 -11.294 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.741 -8.608 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.769 -9.472 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 528 -1.089 -9.996 7.190 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.852 -12.344 8.314 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.921 -12.290 9.306 1.00 0.00 C ATOM 1291 C HIS A 529 -4.567 -11.325 10.433 1.00 0.00 C ATOM 1292 O HIS A 529 -3.557 -11.497 11.117 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.188 -13.683 9.875 1.00 0.00 C ATOM 1294 CG HIS A 529 -6.011 -14.551 8.975 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.732 -14.724 7.635 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -7.111 -15.299 9.228 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.626 -15.539 7.104 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -7.473 -15.903 8.049 1.00 0.00 N ATOM 0 H HIS A 529 -3.018 -12.844 8.620 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.824 -11.929 8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.235 -14.176 10.069 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.696 -13.583 10.834 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -7.611 -15.402 10.180 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.658 -15.854 6.072 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -8.267 -16.531 7.924 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.403 -10.310 10.621 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.179 -9.317 11.666 1.00 0.00 C ATOM 1308 C LEU A 530 -6.463 -9.042 12.441 1.00 0.00 C ATOM 1309 O LEU A 530 -7.475 -8.644 11.863 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.649 -8.018 11.056 1.00 0.00 C ATOM 1311 CG LEU A 530 -3.958 -7.056 12.024 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.626 -7.627 12.484 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.761 -5.695 11.372 1.00 0.00 C ATOM 0 H LEU A 530 -6.242 -10.153 10.063 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.438 -9.715 12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.945 -8.273 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.482 -7.494 10.587 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.596 -6.929 12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.149 -6.929 13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.793 -8.578 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.980 -7.784 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.268 -5.023 12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.143 -5.805 10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.730 -5.281 11.093 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.415 -9.254 13.751 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.575 -9.029 14.605 1.00 0.00 C ATOM 1327 C TYR A 531 -8.784 -9.810 14.099 1.00 0.00 C ATOM 1328 O TYR A 531 -9.922 -9.360 14.219 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.907 -7.537 14.668 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.817 -6.700 15.298 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.539 -6.794 16.656 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.064 -5.815 14.535 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.544 -6.031 17.236 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.067 -5.049 15.107 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.811 -5.160 16.457 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.819 -4.399 17.031 1.00 0.00 O ATOM 0 H TYR A 531 -5.585 -9.582 14.245 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.331 -9.382 15.607 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.096 -7.172 13.658 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.829 -7.402 15.233 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.111 -7.475 17.269 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.262 -5.725 13.477 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.341 -6.116 18.293 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.491 -4.367 14.500 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.116 -4.225 16.370 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.526 -10.985 13.533 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.602 -11.812 13.017 1.00 0.00 C ATOM 1348 C GLY A 532 -10.169 -11.280 11.716 1.00 0.00 C ATOM 1349 O GLY A 532 -11.373 -11.366 11.474 1.00 0.00 O ATOM 0 H GLY A 532 -7.592 -11.379 13.422 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.234 -12.826 12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.398 -11.872 13.759 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.300 -10.726 10.876 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.721 -10.176 9.594 1.00 0.00 C ATOM 1355 C ARG A 533 -8.696 -10.484 8.506 1.00 0.00 C ATOM 1356 O ARG A 533 -7.492 -10.514 8.765 1.00 0.00 O ATOM 1357 CB ARG A 533 -9.923 -8.664 9.705 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.124 -8.270 10.550 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.723 -6.952 10.087 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.063 -6.740 10.627 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.648 -5.549 10.696 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.013 -4.469 10.261 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.870 -5.436 11.201 1.00 0.00 N ATOM 0 H ARG A 533 -8.300 -10.647 11.061 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.667 -10.643 9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.026 -8.217 10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.041 -8.247 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.880 -9.053 10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.824 -8.187 11.595 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.075 -6.131 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -11.764 -6.935 8.998 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.578 -7.551 10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -12.074 -4.552 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -13.464 -3.556 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.362 -6.264 11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.318 -4.521 11.253 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.180 -10.712 7.290 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.307 -11.019 6.164 1.00 0.00 C ATOM 1379 C ARG A 534 -8.053 -9.775 5.318 1.00 0.00 C ATOM 1380 O ARG A 534 -8.880 -9.397 4.487 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.922 -12.121 5.300 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.208 -12.323 3.973 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.862 -13.004 4.163 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.484 -13.804 3.000 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.039 -14.973 2.701 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.991 -15.476 3.475 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -6.642 -15.642 1.626 1.00 0.00 N ATOM 0 H ARG A 534 -10.173 -10.690 7.059 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.353 -11.368 6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -8.908 -13.058 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.967 -11.880 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.831 -12.924 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.064 -11.359 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.097 -12.250 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.900 -13.643 5.045 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.754 -13.445 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.299 -14.965 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -8.416 -16.374 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.910 -15.259 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -7.069 -16.540 1.397 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.905 -9.142 5.534 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.542 -7.940 4.792 1.00 0.00 C ATOM 1403 C LEU A 535 -6.302 -8.261 3.320 1.00 0.00 C ATOM 1404 O LEU A 535 -5.794 -9.330 2.981 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.291 -7.301 5.397 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.286 -7.144 6.918 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.040 -6.401 7.374 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.541 -6.420 7.383 1.00 0.00 C ATOM 0 H LEU A 535 -6.209 -9.441 6.217 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.371 -7.236 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.427 -7.900 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.158 -6.316 4.950 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.276 -8.137 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.054 -6.299 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.153 -6.959 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -4.018 -5.412 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.521 -6.317 8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.581 -5.432 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.421 -6.992 7.089 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.670 -7.327 2.448 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.492 -7.509 1.013 1.00 0.00 C ATOM 1422 C VAL A 536 -5.436 -6.555 0.465 1.00 0.00 C ATOM 1423 O VAL A 536 -5.524 -5.341 0.650 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.812 -7.288 0.251 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.598 -7.447 -1.247 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -8.882 -8.248 0.750 1.00 0.00 C ATOM 0 H VAL A 536 -7.093 -6.437 2.711 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.162 -8.537 0.863 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.153 -6.270 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.542 -7.287 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.866 -6.716 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.233 -8.452 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.808 -8.078 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.551 -9.275 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.055 -8.080 1.813 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.437 -7.112 -0.211 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.363 -6.311 -0.788 1.00 0.00 C ATOM 1438 C LEU A 537 -3.536 -6.174 -2.297 1.00 0.00 C ATOM 1439 O LEU A 537 -3.677 -7.169 -3.007 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.005 -6.941 -0.473 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.408 -6.603 0.893 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.083 -7.416 1.987 1.00 0.00 C ATOM 1443 CD2 LEU A 537 0.094 -6.846 0.895 1.00 0.00 C ATOM 0 H LEU A 537 -4.348 -8.115 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.406 -5.316 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.104 -8.024 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.297 -6.633 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.584 -5.546 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.645 -7.162 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.149 -7.191 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.939 -8.479 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.501 -6.600 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.293 -7.894 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.565 -6.218 0.139 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.521 -4.936 -2.779 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.674 -4.670 -4.205 1.00 0.00 C ATOM 1457 C GLU A 538 -2.723 -3.566 -4.658 1.00 0.00 C ATOM 1458 O GLU A 538 -2.431 -2.636 -3.906 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.118 -4.275 -4.520 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.117 -5.400 -4.307 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.534 -4.997 -4.666 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -7.867 -3.802 -4.517 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.311 -5.876 -5.095 1.00 0.00 O ATOM 0 H GLU A 538 -3.405 -4.102 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.428 -5.583 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.399 -3.428 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.176 -3.940 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.824 -6.260 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.086 -5.716 -3.264 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.243 -3.676 -5.891 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.324 -2.688 -6.445 1.00 0.00 C ATOM 1472 C TRP A 539 -2.073 -1.437 -6.890 1.00 0.00 C ATOM 1473 O TRP A 539 -2.677 -1.413 -7.962 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.553 -3.283 -7.625 1.00 0.00 C ATOM 1475 CG TRP A 539 0.318 -4.441 -7.242 1.00 0.00 C ATOM 1476 CD1 TRP A 539 0.028 -5.768 -7.384 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.621 -4.374 -6.653 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.072 -6.530 -6.919 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.062 -5.699 -6.465 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.459 -3.325 -6.267 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.302 -5.999 -5.908 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.690 -3.624 -5.713 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.102 -4.952 -5.539 1.00 0.00 C ATOM 0 H TRP A 539 -2.475 -4.439 -6.527 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.618 -2.407 -5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.262 -3.607 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.065 -2.506 -8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.888 -6.161 -7.801 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.105 -7.549 -6.913 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.151 -2.298 -6.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.621 -7.022 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.345 -2.821 -5.409 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.070 -5.153 -5.105 1.00 0.00 H new