USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 431 CYS SG : rot -132:sc= -0.339 USER MOD Set 1.2: A 510 MET CE :methyl 153:sc= -0.309 (180deg=-1.12) USER MOD Single : A 433 TYR OH : rot 165:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 ASN : amide:sc= 0.245 K(o=0.25,f=-2.1!) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 451 LYS NZ :NH3+ -164:sc= -0.0166 (180deg=-0.176) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 459 SER OG : rot -39:sc= 0.482 USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 TYR OH : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 THR OG1 : rot 130:sc= -1.26 USER MOD Single : A 480 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 484 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0511) USER MOD Single : A 489 CYS SG : rot 180:sc= 0 USER MOD Single : A 491 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-4.5!) USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.55) USER MOD Single : A 494 TYR OH : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 164:sc= -2.86 (180deg=-3.7!) USER MOD Single : A 497 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 501 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.5!) USER MOD Single : A 503 HIS : no HE2:sc= -0.694 X(o=-0.69,f=-0.98) USER MOD Single : A 506 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 507 LYS NZ :NH3+ 148:sc= -4.44! (180deg=-6.72!) USER MOD Single : A 508 LYS NZ :NH3+ -114:sc= -1.31 (180deg=-3.26!) USER MOD Single : A 513 LYS NZ :NH3+ -144:sc= -0.632 (180deg=-0.878) USER MOD Single : A 516 MET CE :methyl -144:sc= -0.269 (180deg=-1.49!) USER MOD ----------------------------------------------------------------- ATOM 332 N GLY A 429 -4.716 -14.030 -1.450 1.00 0.00 N ATOM 333 CA GLY A 429 -4.495 -13.623 -0.075 1.00 0.00 C ATOM 334 C GLY A 429 -5.210 -12.332 0.270 1.00 0.00 C ATOM 335 O GLY A 429 -6.063 -11.865 -0.486 1.00 0.00 O ATOM 0 HA2 GLY A 429 -4.836 -14.413 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 429 -3.426 -13.499 0.097 1.00 0.00 H new ATOM 339 N PHE A 430 -4.865 -11.754 1.416 1.00 0.00 N ATOM 340 CA PHE A 430 -5.483 -10.510 1.861 1.00 0.00 C ATOM 341 C PHE A 430 -4.432 -9.423 2.063 1.00 0.00 C ATOM 342 O PHE A 430 -3.756 -9.382 3.092 1.00 0.00 O ATOM 343 CB PHE A 430 -6.256 -10.737 3.162 1.00 0.00 C ATOM 344 CG PHE A 430 -7.059 -12.006 3.169 1.00 0.00 C ATOM 345 CD1 PHE A 430 -8.067 -12.209 2.240 1.00 0.00 C ATOM 346 CD2 PHE A 430 -6.805 -12.997 4.104 1.00 0.00 C ATOM 347 CE1 PHE A 430 -8.808 -13.376 2.245 1.00 0.00 C ATOM 348 CE2 PHE A 430 -7.543 -14.166 4.113 1.00 0.00 C ATOM 349 CZ PHE A 430 -8.544 -14.356 3.181 1.00 0.00 C ATOM 0 H PHE A 430 -4.161 -12.127 2.053 1.00 0.00 H new ATOM 0 HA PHE A 430 -6.177 -10.180 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -5.552 -10.757 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -6.924 -9.893 3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -8.276 -11.447 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -6.022 -12.854 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -9.593 -13.521 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -7.337 -14.930 4.848 1.00 0.00 H new ATOM 0 HZ PHE A 430 -9.120 -15.270 3.184 1.00 0.00 H new ATOM 359 N CYS A 431 -4.300 -8.545 1.075 1.00 0.00 N ATOM 360 CA CYS A 431 -3.330 -7.457 1.143 1.00 0.00 C ATOM 361 C CYS A 431 -3.988 -6.121 0.813 1.00 0.00 C ATOM 362 O CYS A 431 -5.123 -6.076 0.338 1.00 0.00 O ATOM 363 CB CYS A 431 -2.170 -7.720 0.183 1.00 0.00 C ATOM 364 SG CYS A 431 -1.254 -9.240 0.530 1.00 0.00 S ATOM 0 H CYS A 431 -4.852 -8.565 0.218 1.00 0.00 H new ATOM 0 HA CYS A 431 -2.945 -7.409 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 431 -2.558 -7.767 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 431 -1.481 -6.876 0.223 1.00 0.00 H new ATOM 0 HG CYS A 431 0.021 -8.988 0.528 1.00 0.00 H new ATOM 370 N VAL A 432 -3.267 -5.034 1.068 1.00 0.00 N ATOM 371 CA VAL A 432 -3.780 -3.696 0.798 1.00 0.00 C ATOM 372 C VAL A 432 -2.711 -2.816 0.160 1.00 0.00 C ATOM 373 O VAL A 432 -1.564 -2.793 0.606 1.00 0.00 O ATOM 374 CB VAL A 432 -4.286 -3.018 2.086 1.00 0.00 C ATOM 375 CG1 VAL A 432 -5.678 -3.518 2.441 1.00 0.00 C ATOM 376 CG2 VAL A 432 -3.315 -3.261 3.232 1.00 0.00 C ATOM 0 H VAL A 432 -2.326 -5.054 1.461 1.00 0.00 H new ATOM 0 HA VAL A 432 -4.613 -3.811 0.105 1.00 0.00 H new ATOM 0 HB VAL A 432 -4.345 -1.944 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -6.019 -3.028 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -6.366 -3.288 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -5.648 -4.596 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -3.688 -2.775 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.222 -4.332 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -2.339 -2.849 2.975 1.00 0.00 H new ATOM 386 N TYR A 433 -3.096 -2.092 -0.885 1.00 0.00 N ATOM 387 CA TYR A 433 -2.170 -1.211 -1.587 1.00 0.00 C ATOM 388 C TYR A 433 -2.371 0.240 -1.162 1.00 0.00 C ATOM 389 O TYR A 433 -3.381 0.863 -1.495 1.00 0.00 O ATOM 390 CB TYR A 433 -2.355 -1.342 -3.099 1.00 0.00 C ATOM 391 CG TYR A 433 -1.388 -0.502 -3.903 1.00 0.00 C ATOM 392 CD1 TYR A 433 -0.084 -0.302 -3.467 1.00 0.00 C ATOM 393 CD2 TYR A 433 -1.778 0.092 -5.097 1.00 0.00 C ATOM 394 CE1 TYR A 433 0.804 0.465 -4.198 1.00 0.00 C ATOM 395 CE2 TYR A 433 -0.897 0.858 -5.834 1.00 0.00 C ATOM 396 CZ TYR A 433 0.393 1.042 -5.381 1.00 0.00 C ATOM 397 OH TYR A 433 1.273 1.807 -6.112 1.00 0.00 O ATOM 0 H TYR A 433 -4.043 -2.098 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 433 -1.155 -1.510 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 433 -2.236 -2.388 -3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 433 -3.374 -1.055 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 433 0.241 -0.753 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 433 -2.787 -0.048 -5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 433 1.814 0.611 -3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 433 -1.216 1.311 -6.761 1.00 0.00 H new ATOM 0 HH TYR A 433 0.918 1.941 -7.016 1.00 0.00 H new ATOM 407 N LEU A 434 -1.403 0.774 -0.425 1.00 0.00 N ATOM 408 CA LEU A 434 -1.472 2.153 0.046 1.00 0.00 C ATOM 409 C LEU A 434 -0.693 3.083 -0.878 1.00 0.00 C ATOM 410 O LEU A 434 0.451 2.804 -1.238 1.00 0.00 O ATOM 411 CB LEU A 434 -0.924 2.254 1.470 1.00 0.00 C ATOM 412 CG LEU A 434 -1.783 1.622 2.566 1.00 0.00 C ATOM 413 CD1 LEU A 434 -0.949 1.352 3.809 1.00 0.00 C ATOM 414 CD2 LEU A 434 -2.966 2.519 2.900 1.00 0.00 C ATOM 0 H LEU A 434 -0.561 0.273 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 434 -2.518 2.460 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 434 0.061 1.787 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 434 -0.782 3.308 1.710 1.00 0.00 H new ATOM 0 HG LEU A 434 -2.166 0.671 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 434 -1.577 0.902 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 434 -0.136 0.670 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 434 -0.536 2.290 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 434 -3.566 2.054 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 434 -2.603 3.486 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 434 -3.578 2.661 2.009 1.00 0.00 H new ATOM 426 N LYS A 435 -1.319 4.192 -1.257 1.00 0.00 N ATOM 427 CA LYS A 435 -0.684 5.167 -2.136 1.00 0.00 C ATOM 428 C LYS A 435 -0.822 6.578 -1.574 1.00 0.00 C ATOM 429 O LYS A 435 -1.931 7.069 -1.367 1.00 0.00 O ATOM 430 CB LYS A 435 -1.302 5.102 -3.535 1.00 0.00 C ATOM 431 CG LYS A 435 -1.235 3.721 -4.165 1.00 0.00 C ATOM 432 CD LYS A 435 -2.214 3.587 -5.319 1.00 0.00 C ATOM 433 CE LYS A 435 -1.595 4.044 -6.631 1.00 0.00 C ATOM 434 NZ LYS A 435 -2.623 4.244 -7.690 1.00 0.00 N ATOM 0 H LYS A 435 -2.266 4.438 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 435 0.376 4.923 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -2.344 5.416 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -0.790 5.813 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -0.223 3.531 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -1.454 2.965 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.533 2.549 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.106 4.178 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -1.052 4.976 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -0.868 3.305 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -2.161 4.555 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -3.124 3.349 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -3.303 4.968 -7.381 1.00 0.00 H new ATOM 448 N GLY A 436 0.312 7.227 -1.329 1.00 0.00 N ATOM 449 CA GLY A 436 0.295 8.576 -0.794 1.00 0.00 C ATOM 450 C GLY A 436 1.347 8.789 0.276 1.00 0.00 C ATOM 451 O GLY A 436 1.707 9.925 0.586 1.00 0.00 O ATOM 0 H GLY A 436 1.243 6.842 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 436 0.456 9.287 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -0.690 8.786 -0.377 1.00 0.00 H new ATOM 455 N LEU A 437 1.841 7.694 0.844 1.00 0.00 N ATOM 456 CA LEU A 437 2.857 7.766 1.888 1.00 0.00 C ATOM 457 C LEU A 437 3.847 8.892 1.608 1.00 0.00 C ATOM 458 O LEU A 437 4.202 9.169 0.462 1.00 0.00 O ATOM 459 CB LEU A 437 3.601 6.433 1.995 1.00 0.00 C ATOM 460 CG LEU A 437 2.750 5.218 2.366 1.00 0.00 C ATOM 461 CD1 LEU A 437 3.589 3.950 2.335 1.00 0.00 C ATOM 462 CD2 LEU A 437 2.117 5.408 3.737 1.00 0.00 C ATOM 0 H LEU A 437 1.554 6.746 0.599 1.00 0.00 H new ATOM 0 HA LEU A 437 2.357 7.974 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.087 6.233 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 437 4.391 6.539 2.739 1.00 0.00 H new ATOM 0 HG LEU A 437 1.952 5.119 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.967 3.096 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.994 3.806 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 437 4.409 4.039 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.515 4.534 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.900 5.533 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 437 1.482 6.294 3.725 1.00 0.00 H new ATOM 474 N PRO A 438 4.307 9.556 2.678 1.00 0.00 N ATOM 475 CA PRO A 438 5.264 10.661 2.574 1.00 0.00 C ATOM 476 C PRO A 438 6.651 10.189 2.150 1.00 0.00 C ATOM 477 O PRO A 438 6.896 8.989 2.020 1.00 0.00 O ATOM 478 CB PRO A 438 5.304 11.232 3.994 1.00 0.00 C ATOM 479 CG PRO A 438 4.909 10.094 4.870 1.00 0.00 C ATOM 480 CD PRO A 438 3.927 9.280 4.074 1.00 0.00 C ATOM 0 HA PRO A 438 4.967 11.387 1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 438 6.299 11.599 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 438 4.618 12.072 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 438 5.777 9.496 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 438 4.459 10.452 5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 438 4.002 8.218 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 438 2.899 9.579 4.277 1.00 0.00 H new ATOM 488 N PHE A 439 7.555 11.139 1.936 1.00 0.00 N ATOM 489 CA PHE A 439 8.917 10.819 1.526 1.00 0.00 C ATOM 490 C PHE A 439 9.704 10.208 2.682 1.00 0.00 C ATOM 491 O PHE A 439 10.728 9.559 2.474 1.00 0.00 O ATOM 492 CB PHE A 439 9.628 12.076 1.019 1.00 0.00 C ATOM 493 CG PHE A 439 8.952 12.711 -0.162 1.00 0.00 C ATOM 494 CD1 PHE A 439 8.875 12.044 -1.374 1.00 0.00 C ATOM 495 CD2 PHE A 439 8.393 13.975 -0.061 1.00 0.00 C ATOM 496 CE1 PHE A 439 8.254 12.627 -2.463 1.00 0.00 C ATOM 497 CE2 PHE A 439 7.771 14.563 -1.146 1.00 0.00 C ATOM 498 CZ PHE A 439 7.701 13.887 -2.349 1.00 0.00 C ATOM 0 H PHE A 439 7.369 12.137 2.040 1.00 0.00 H new ATOM 0 HA PHE A 439 8.864 10.088 0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 439 9.685 12.803 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 439 10.652 11.820 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 439 9.305 11.058 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 439 8.444 14.507 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 439 8.201 12.097 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 439 7.340 15.549 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 439 7.215 14.343 -3.199 1.00 0.00 H new ATOM 508 N GLU A 440 9.216 10.422 3.901 1.00 0.00 N ATOM 509 CA GLU A 440 9.874 9.894 5.090 1.00 0.00 C ATOM 510 C GLU A 440 9.063 8.754 5.699 1.00 0.00 C ATOM 511 O GLU A 440 9.316 8.333 6.827 1.00 0.00 O ATOM 512 CB GLU A 440 10.073 11.003 6.125 1.00 0.00 C ATOM 513 CG GLU A 440 11.248 11.918 5.819 1.00 0.00 C ATOM 514 CD GLU A 440 11.108 13.282 6.466 1.00 0.00 C ATOM 515 OE1 GLU A 440 10.016 13.878 6.366 1.00 0.00 O ATOM 516 OE2 GLU A 440 12.093 13.754 7.072 1.00 0.00 O ATOM 0 H GLU A 440 8.368 10.957 4.090 1.00 0.00 H new ATOM 0 HA GLU A 440 10.848 9.506 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 440 9.164 11.601 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 440 10.221 10.551 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 440 12.169 11.449 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 440 11.338 12.039 4.740 1.00 0.00 H new ATOM 523 N ALA A 441 8.088 8.260 4.943 1.00 0.00 N ATOM 524 CA ALA A 441 7.241 7.168 5.407 1.00 0.00 C ATOM 525 C ALA A 441 8.072 6.066 6.056 1.00 0.00 C ATOM 526 O ALA A 441 9.182 5.772 5.614 1.00 0.00 O ATOM 527 CB ALA A 441 6.425 6.606 4.253 1.00 0.00 C ATOM 0 H ALA A 441 7.865 8.599 4.007 1.00 0.00 H new ATOM 0 HA ALA A 441 6.560 7.564 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 441 5.797 5.791 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 441 5.795 7.392 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 441 7.097 6.231 3.481 1.00 0.00 H new ATOM 533 N GLU A 442 7.526 5.461 7.107 1.00 0.00 N ATOM 534 CA GLU A 442 8.220 4.392 7.816 1.00 0.00 C ATOM 535 C GLU A 442 7.255 3.268 8.184 1.00 0.00 C ATOM 536 O GLU A 442 6.041 3.467 8.228 1.00 0.00 O ATOM 537 CB GLU A 442 8.889 4.939 9.079 1.00 0.00 C ATOM 538 CG GLU A 442 10.111 5.797 8.798 1.00 0.00 C ATOM 539 CD GLU A 442 11.272 4.994 8.244 1.00 0.00 C ATOM 540 OE1 GLU A 442 11.434 3.825 8.652 1.00 0.00 O ATOM 541 OE2 GLU A 442 12.018 5.535 7.401 1.00 0.00 O ATOM 0 H GLU A 442 6.607 5.692 7.485 1.00 0.00 H new ATOM 0 HA GLU A 442 8.986 3.988 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 442 8.163 5.528 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 442 9.181 4.104 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 442 9.845 6.581 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 442 10.422 6.292 9.718 1.00 0.00 H new ATOM 548 N ASN A 443 7.804 2.087 8.448 1.00 0.00 N ATOM 549 CA ASN A 443 6.993 0.931 8.811 1.00 0.00 C ATOM 550 C ASN A 443 6.001 1.287 9.914 1.00 0.00 C ATOM 551 O ASN A 443 4.893 0.753 9.964 1.00 0.00 O ATOM 552 CB ASN A 443 7.888 -0.223 9.267 1.00 0.00 C ATOM 553 CG ASN A 443 9.004 -0.514 8.282 1.00 0.00 C ATOM 554 OD1 ASN A 443 9.982 0.228 8.198 1.00 0.00 O ATOM 555 ND2 ASN A 443 8.861 -1.599 7.530 1.00 0.00 N ATOM 0 H ASN A 443 8.807 1.905 8.417 1.00 0.00 H new ATOM 0 HA ASN A 443 6.432 0.620 7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 443 8.319 0.017 10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 443 7.282 -1.119 9.400 1.00 0.00 H new ATOM 0 HD21 ASN A 443 9.579 -1.846 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 443 8.033 -2.186 7.634 1.00 0.00 H new ATOM 562 N LYS A 444 6.406 2.194 10.796 1.00 0.00 N ATOM 563 CA LYS A 444 5.554 2.624 11.898 1.00 0.00 C ATOM 564 C LYS A 444 4.318 3.351 11.378 1.00 0.00 C ATOM 565 O LYS A 444 3.203 3.112 11.844 1.00 0.00 O ATOM 566 CB LYS A 444 6.334 3.538 12.846 1.00 0.00 C ATOM 567 CG LYS A 444 6.722 4.869 12.227 1.00 0.00 C ATOM 568 CD LYS A 444 7.668 5.648 13.125 1.00 0.00 C ATOM 569 CE LYS A 444 8.595 6.542 12.316 1.00 0.00 C ATOM 570 NZ LYS A 444 9.354 7.484 13.185 1.00 0.00 N ATOM 0 H LYS A 444 7.320 2.646 10.769 1.00 0.00 H new ATOM 0 HA LYS A 444 5.231 1.737 12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 444 5.732 3.723 13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 444 7.237 3.022 13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 444 7.196 4.697 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.825 5.460 12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 444 7.091 6.256 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 444 8.260 4.954 13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 444 9.294 5.925 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 444 8.012 7.108 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 9.974 8.076 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 8.688 8.091 13.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 9.931 6.944 13.862 1.00 0.00 H new ATOM 584 N HIS A 445 4.522 4.237 10.409 1.00 0.00 N ATOM 585 CA HIS A 445 3.422 4.997 9.824 1.00 0.00 C ATOM 586 C HIS A 445 2.372 4.063 9.231 1.00 0.00 C ATOM 587 O HIS A 445 1.174 4.232 9.462 1.00 0.00 O ATOM 588 CB HIS A 445 3.947 5.945 8.745 1.00 0.00 C ATOM 589 CG HIS A 445 4.479 7.235 9.288 1.00 0.00 C ATOM 590 ND1 HIS A 445 5.813 7.580 9.236 1.00 0.00 N ATOM 591 CD2 HIS A 445 3.848 8.267 9.896 1.00 0.00 C ATOM 592 CE1 HIS A 445 5.979 8.768 9.790 1.00 0.00 C ATOM 593 NE2 HIS A 445 4.802 9.207 10.198 1.00 0.00 N ATOM 0 H HIS A 445 5.438 4.447 10.012 1.00 0.00 H new ATOM 0 HA HIS A 445 2.955 5.583 10.616 1.00 0.00 H new ATOM 0 HB2 HIS A 445 4.736 5.443 8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 445 3.144 6.161 8.040 1.00 0.00 H new ATOM 0 HD2 HIS A 445 2.791 8.338 10.105 1.00 0.00 H new ATOM 0 HE1 HIS A 445 6.918 9.291 9.892 1.00 0.00 H new ATOM 0 HE2 HIS A 445 4.630 10.099 10.662 1.00 0.00 H new ATOM 602 N VAL A 446 2.828 3.078 8.464 1.00 0.00 N ATOM 603 CA VAL A 446 1.928 2.117 7.838 1.00 0.00 C ATOM 604 C VAL A 446 1.078 1.399 8.880 1.00 0.00 C ATOM 605 O VAL A 446 -0.062 1.021 8.612 1.00 0.00 O ATOM 606 CB VAL A 446 2.706 1.070 7.018 1.00 0.00 C ATOM 607 CG1 VAL A 446 1.763 0.010 6.471 1.00 0.00 C ATOM 608 CG2 VAL A 446 3.476 1.743 5.891 1.00 0.00 C ATOM 0 H VAL A 446 3.816 2.925 8.261 1.00 0.00 H new ATOM 0 HA VAL A 446 1.278 2.682 7.170 1.00 0.00 H new ATOM 0 HB VAL A 446 3.423 0.578 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 446 2.331 -0.720 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 446 1.261 -0.492 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 446 1.020 0.481 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 446 4.020 0.990 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.779 2.262 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 446 4.181 2.460 6.310 1.00 0.00 H new ATOM 618 N ILE A 447 1.641 1.216 10.070 1.00 0.00 N ATOM 619 CA ILE A 447 0.934 0.546 11.154 1.00 0.00 C ATOM 620 C ILE A 447 -0.141 1.448 11.750 1.00 0.00 C ATOM 621 O ILE A 447 -1.267 1.013 11.992 1.00 0.00 O ATOM 622 CB ILE A 447 1.900 0.109 12.271 1.00 0.00 C ATOM 623 CG1 ILE A 447 2.985 -0.811 11.706 1.00 0.00 C ATOM 624 CG2 ILE A 447 1.137 -0.587 13.389 1.00 0.00 C ATOM 625 CD1 ILE A 447 4.266 -0.798 12.511 1.00 0.00 C ATOM 0 H ILE A 447 2.584 1.522 10.307 1.00 0.00 H new ATOM 0 HA ILE A 447 0.464 -0.339 10.725 1.00 0.00 H new ATOM 0 HB ILE A 447 2.381 0.996 12.683 1.00 0.00 H new ATOM 0 HG12 ILE A 447 2.601 -1.830 11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 447 3.206 -0.512 10.681 1.00 0.00 H new ATOM 0 HG21 ILE A 447 1.833 -0.890 14.171 1.00 0.00 H new ATOM 0 HG22 ILE A 447 0.398 0.097 13.806 1.00 0.00 H new ATOM 0 HG23 ILE A 447 0.632 -1.468 12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 447 4.990 -1.472 12.053 1.00 0.00 H new ATOM 0 HD12 ILE A 447 4.673 0.213 12.531 1.00 0.00 H new ATOM 0 HD13 ILE A 447 4.059 -1.125 13.530 1.00 0.00 H new ATOM 637 N ASP A 448 0.214 2.707 11.984 1.00 0.00 N ATOM 638 CA ASP A 448 -0.721 3.672 12.550 1.00 0.00 C ATOM 639 C ASP A 448 -1.930 3.856 11.638 1.00 0.00 C ATOM 640 O ASP A 448 -3.010 4.236 12.092 1.00 0.00 O ATOM 641 CB ASP A 448 -0.026 5.016 12.773 1.00 0.00 C ATOM 642 CG ASP A 448 -0.780 5.904 13.744 1.00 0.00 C ATOM 643 OD1 ASP A 448 -2.023 5.961 13.651 1.00 0.00 O ATOM 644 OD2 ASP A 448 -0.126 6.542 14.595 1.00 0.00 O ATOM 0 H ASP A 448 1.142 3.083 11.790 1.00 0.00 H new ATOM 0 HA ASP A 448 -1.067 3.287 13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 448 0.981 4.842 13.151 1.00 0.00 H new ATOM 0 HB3 ASP A 448 0.076 5.532 11.818 1.00 0.00 H new ATOM 649 N PHE A 449 -1.741 3.585 10.351 1.00 0.00 N ATOM 650 CA PHE A 449 -2.816 3.722 9.375 1.00 0.00 C ATOM 651 C PHE A 449 -3.818 2.579 9.505 1.00 0.00 C ATOM 652 O PHE A 449 -5.029 2.800 9.532 1.00 0.00 O ATOM 653 CB PHE A 449 -2.244 3.755 7.957 1.00 0.00 C ATOM 654 CG PHE A 449 -3.080 4.546 6.991 1.00 0.00 C ATOM 655 CD1 PHE A 449 -2.956 5.924 6.914 1.00 0.00 C ATOM 656 CD2 PHE A 449 -3.990 3.912 6.161 1.00 0.00 C ATOM 657 CE1 PHE A 449 -3.725 6.654 6.027 1.00 0.00 C ATOM 658 CE2 PHE A 449 -4.761 4.636 5.272 1.00 0.00 C ATOM 659 CZ PHE A 449 -4.627 6.009 5.205 1.00 0.00 C ATOM 0 H PHE A 449 -0.854 3.269 9.959 1.00 0.00 H new ATOM 0 HA PHE A 449 -3.335 4.660 9.572 1.00 0.00 H new ATOM 0 HB2 PHE A 449 -1.240 4.179 7.989 1.00 0.00 H new ATOM 0 HB3 PHE A 449 -2.147 2.734 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 449 -2.251 6.433 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 449 -4.098 2.839 6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 449 -3.620 7.728 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 449 -5.467 4.129 4.631 1.00 0.00 H new ATOM 0 HZ PHE A 449 -5.227 6.577 4.510 1.00 0.00 H new ATOM 669 N PHE A 450 -3.304 1.356 9.585 1.00 0.00 N ATOM 670 CA PHE A 450 -4.153 0.177 9.710 1.00 0.00 C ATOM 671 C PHE A 450 -4.153 -0.343 11.145 1.00 0.00 C ATOM 672 O PHE A 450 -3.976 -1.538 11.385 1.00 0.00 O ATOM 673 CB PHE A 450 -3.679 -0.923 8.758 1.00 0.00 C ATOM 674 CG PHE A 450 -4.021 -0.658 7.319 1.00 0.00 C ATOM 675 CD1 PHE A 450 -5.289 -0.228 6.963 1.00 0.00 C ATOM 676 CD2 PHE A 450 -3.075 -0.841 6.324 1.00 0.00 C ATOM 677 CE1 PHE A 450 -5.607 0.016 5.641 1.00 0.00 C ATOM 678 CE2 PHE A 450 -3.387 -0.597 4.999 1.00 0.00 C ATOM 679 CZ PHE A 450 -4.655 -0.169 4.657 1.00 0.00 C ATOM 0 H PHE A 450 -2.304 1.156 9.565 1.00 0.00 H new ATOM 0 HA PHE A 450 -5.171 0.464 9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 450 -2.599 -1.033 8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 450 -4.124 -1.871 9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 450 -6.037 -0.082 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 450 -2.083 -1.178 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 450 -6.599 0.351 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 450 -2.640 -0.741 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 450 -4.902 0.021 3.623 1.00 0.00 H new ATOM 689 N LYS A 451 -4.352 0.563 12.096 1.00 0.00 N ATOM 690 CA LYS A 451 -4.376 0.199 13.508 1.00 0.00 C ATOM 691 C LYS A 451 -5.606 -0.644 13.831 1.00 0.00 C ATOM 692 O LYS A 451 -6.595 -0.623 13.099 1.00 0.00 O ATOM 693 CB LYS A 451 -4.362 1.456 14.380 1.00 0.00 C ATOM 694 CG LYS A 451 -3.060 2.234 14.305 1.00 0.00 C ATOM 695 CD LYS A 451 -2.069 1.766 15.358 1.00 0.00 C ATOM 696 CE LYS A 451 -2.318 2.441 16.698 1.00 0.00 C ATOM 697 NZ LYS A 451 -1.914 3.874 16.680 1.00 0.00 N ATOM 0 H LYS A 451 -4.499 1.556 11.914 1.00 0.00 H new ATOM 0 HA LYS A 451 -3.486 -0.393 13.721 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -5.182 2.107 14.078 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -4.546 1.171 15.416 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -2.622 2.117 13.314 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -3.262 3.297 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -2.144 0.685 15.475 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -1.054 1.981 15.024 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -3.375 2.365 16.952 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -1.764 1.917 17.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -1.840 4.226 17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -0.993 3.969 16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -2.627 4.429 16.165 1.00 0.00 H new ATOM 711 N LYS A 452 -5.537 -1.383 14.933 1.00 0.00 N ATOM 712 CA LYS A 452 -6.645 -2.232 15.356 1.00 0.00 C ATOM 713 C LYS A 452 -6.804 -3.426 14.420 1.00 0.00 C ATOM 714 O LYS A 452 -7.895 -3.982 14.286 1.00 0.00 O ATOM 715 CB LYS A 452 -7.945 -1.425 15.396 1.00 0.00 C ATOM 716 CG LYS A 452 -8.936 -1.919 16.436 1.00 0.00 C ATOM 717 CD LYS A 452 -8.494 -1.553 17.844 1.00 0.00 C ATOM 718 CE LYS A 452 -8.832 -0.108 18.176 1.00 0.00 C ATOM 719 NZ LYS A 452 -8.538 0.217 19.599 1.00 0.00 N ATOM 0 H LYS A 452 -4.725 -1.411 15.550 1.00 0.00 H new ATOM 0 HA LYS A 452 -6.424 -2.604 16.356 1.00 0.00 H new ATOM 0 HB2 LYS A 452 -7.708 -0.381 15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 452 -8.415 -1.460 14.413 1.00 0.00 H new ATOM 0 HG2 LYS A 452 -9.918 -1.489 16.238 1.00 0.00 H new ATOM 0 HG3 LYS A 452 -9.040 -3.001 16.356 1.00 0.00 H new ATOM 0 HD2 LYS A 452 -8.978 -2.215 18.562 1.00 0.00 H new ATOM 0 HD3 LYS A 452 -7.419 -1.708 17.941 1.00 0.00 H new ATOM 0 HE2 LYS A 452 -8.262 0.557 17.526 1.00 0.00 H new ATOM 0 HE3 LYS A 452 -9.887 0.074 17.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 -8.782 1.211 19.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 -9.100 -0.400 20.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 -7.526 0.068 19.787 1.00 0.00 H new ATOM 733 N LEU A 453 -5.710 -3.816 13.776 1.00 0.00 N ATOM 734 CA LEU A 453 -5.728 -4.946 12.853 1.00 0.00 C ATOM 735 C LEU A 453 -4.450 -5.769 12.976 1.00 0.00 C ATOM 736 O LEU A 453 -3.482 -5.342 13.606 1.00 0.00 O ATOM 737 CB LEU A 453 -5.894 -4.453 11.415 1.00 0.00 C ATOM 738 CG LEU A 453 -6.928 -3.348 11.199 1.00 0.00 C ATOM 739 CD1 LEU A 453 -6.859 -2.822 9.774 1.00 0.00 C ATOM 740 CD2 LEU A 453 -8.327 -3.858 11.514 1.00 0.00 C ATOM 0 H LEU A 453 -4.800 -3.367 13.876 1.00 0.00 H new ATOM 0 HA LEU A 453 -6.575 -5.582 13.112 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -4.928 -4.093 11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -6.165 -5.304 10.790 1.00 0.00 H new ATOM 0 HG LEU A 453 -6.700 -2.527 11.878 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -7.602 -2.036 9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -5.865 -2.417 9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -7.060 -3.635 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -9.050 -3.058 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -8.564 -4.697 10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -8.370 -4.184 12.553 1.00 0.00 H new ATOM 752 N ASP A 454 -4.452 -6.951 12.369 1.00 0.00 N ATOM 753 CA ASP A 454 -3.292 -7.833 12.407 1.00 0.00 C ATOM 754 C ASP A 454 -2.446 -7.674 11.147 1.00 0.00 C ATOM 755 O ASP A 454 -2.809 -8.167 10.079 1.00 0.00 O ATOM 756 CB ASP A 454 -3.736 -9.289 12.558 1.00 0.00 C ATOM 757 CG ASP A 454 -4.142 -9.626 13.979 1.00 0.00 C ATOM 758 OD1 ASP A 454 -3.242 -9.801 14.827 1.00 0.00 O ATOM 759 OD2 ASP A 454 -5.359 -9.716 14.243 1.00 0.00 O ATOM 0 H ASP A 454 -5.245 -7.320 11.844 1.00 0.00 H new ATOM 0 HA ASP A 454 -2.684 -7.556 13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 454 -4.574 -9.481 11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 454 -2.924 -9.947 12.249 1.00 0.00 H new ATOM 764 N ILE A 455 -1.320 -6.982 11.280 1.00 0.00 N ATOM 765 CA ILE A 455 -0.424 -6.758 10.153 1.00 0.00 C ATOM 766 C ILE A 455 0.952 -7.360 10.416 1.00 0.00 C ATOM 767 O ILE A 455 1.571 -7.094 11.446 1.00 0.00 O ATOM 768 CB ILE A 455 -0.265 -5.257 9.849 1.00 0.00 C ATOM 769 CG1 ILE A 455 -1.605 -4.656 9.419 1.00 0.00 C ATOM 770 CG2 ILE A 455 0.788 -5.043 8.772 1.00 0.00 C ATOM 771 CD1 ILE A 455 -1.645 -3.146 9.501 1.00 0.00 C ATOM 0 H ILE A 455 -1.006 -6.567 12.157 1.00 0.00 H new ATOM 0 HA ILE A 455 -0.874 -7.249 9.290 1.00 0.00 H new ATOM 0 HB ILE A 455 0.064 -4.751 10.757 1.00 0.00 H new ATOM 0 HG12 ILE A 455 -1.819 -4.962 8.395 1.00 0.00 H new ATOM 0 HG13 ILE A 455 -2.396 -5.067 10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 455 0.889 -3.977 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 455 1.744 -5.439 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 455 0.487 -5.560 7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 455 -2.624 -2.790 9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 455 -1.463 -2.832 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 455 -0.877 -2.726 8.852 1.00 0.00 H new ATOM 783 N VAL A 456 1.426 -8.173 9.477 1.00 0.00 N ATOM 784 CA VAL A 456 2.731 -8.811 9.605 1.00 0.00 C ATOM 785 C VAL A 456 3.857 -7.806 9.394 1.00 0.00 C ATOM 786 O VAL A 456 4.242 -7.519 8.261 1.00 0.00 O ATOM 787 CB VAL A 456 2.892 -9.966 8.598 1.00 0.00 C ATOM 788 CG1 VAL A 456 4.095 -10.825 8.959 1.00 0.00 C ATOM 789 CG2 VAL A 456 1.625 -10.805 8.542 1.00 0.00 C ATOM 0 H VAL A 456 0.926 -8.405 8.619 1.00 0.00 H new ATOM 0 HA VAL A 456 2.790 -9.211 10.617 1.00 0.00 H new ATOM 0 HB VAL A 456 3.062 -9.541 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 456 4.193 -11.636 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 456 4.997 -10.213 8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 456 3.958 -11.242 9.957 1.00 0.00 H new ATOM 0 HG21 VAL A 456 1.757 -11.616 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 456 1.421 -11.222 9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 456 0.788 -10.180 8.232 1.00 0.00 H new ATOM 799 N GLU A 457 4.383 -7.275 10.494 1.00 0.00 N ATOM 800 CA GLU A 457 5.467 -6.302 10.429 1.00 0.00 C ATOM 801 C GLU A 457 6.424 -6.629 9.287 1.00 0.00 C ATOM 802 O GLU A 457 7.014 -5.733 8.681 1.00 0.00 O ATOM 803 CB GLU A 457 6.230 -6.265 11.755 1.00 0.00 C ATOM 804 CG GLU A 457 5.478 -5.560 12.871 1.00 0.00 C ATOM 805 CD GLU A 457 6.109 -5.784 14.231 1.00 0.00 C ATOM 806 OE1 GLU A 457 6.648 -6.887 14.460 1.00 0.00 O ATOM 807 OE2 GLU A 457 6.065 -4.857 15.067 1.00 0.00 O ATOM 0 H GLU A 457 4.076 -7.502 11.440 1.00 0.00 H new ATOM 0 HA GLU A 457 5.029 -5.321 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.451 -7.286 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.186 -5.765 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 457 5.444 -4.491 12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 457 4.447 -5.914 12.890 1.00 0.00 H new ATOM 814 N ASP A 458 6.574 -7.917 8.999 1.00 0.00 N ATOM 815 CA ASP A 458 7.459 -8.363 7.929 1.00 0.00 C ATOM 816 C ASP A 458 6.850 -8.070 6.562 1.00 0.00 C ATOM 817 O ASP A 458 7.521 -7.548 5.671 1.00 0.00 O ATOM 818 CB ASP A 458 7.743 -9.860 8.065 1.00 0.00 C ATOM 819 CG ASP A 458 8.858 -10.151 9.050 1.00 0.00 C ATOM 820 OD1 ASP A 458 9.975 -9.630 8.851 1.00 0.00 O ATOM 821 OD2 ASP A 458 8.614 -10.901 10.018 1.00 0.00 O ATOM 0 H ASP A 458 6.094 -8.671 9.491 1.00 0.00 H new ATOM 0 HA ASP A 458 8.397 -7.814 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 458 6.836 -10.371 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.009 -10.266 7.089 1.00 0.00 H new ATOM 826 N SER A 459 5.575 -8.410 6.402 1.00 0.00 N ATOM 827 CA SER A 459 4.877 -8.188 5.142 1.00 0.00 C ATOM 828 C SER A 459 4.969 -6.725 4.720 1.00 0.00 C ATOM 829 O SER A 459 5.220 -6.419 3.554 1.00 0.00 O ATOM 830 CB SER A 459 3.409 -8.603 5.267 1.00 0.00 C ATOM 831 OG SER A 459 2.721 -7.771 6.184 1.00 0.00 O ATOM 0 H SER A 459 5.005 -8.840 7.130 1.00 0.00 H new ATOM 0 HA SER A 459 5.356 -8.800 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.928 -8.549 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 459 3.348 -9.640 5.596 1.00 0.00 H new ATOM 0 HG SER A 459 3.304 -7.573 6.947 1.00 0.00 H new ATOM 837 N ILE A 460 4.763 -5.826 5.677 1.00 0.00 N ATOM 838 CA ILE A 460 4.824 -4.395 5.406 1.00 0.00 C ATOM 839 C ILE A 460 5.997 -4.058 4.492 1.00 0.00 C ATOM 840 O ILE A 460 7.158 -4.184 4.882 1.00 0.00 O ATOM 841 CB ILE A 460 4.951 -3.581 6.707 1.00 0.00 C ATOM 842 CG1 ILE A 460 3.978 -4.110 7.762 1.00 0.00 C ATOM 843 CG2 ILE A 460 4.695 -2.106 6.435 1.00 0.00 C ATOM 844 CD1 ILE A 460 3.661 -3.107 8.849 1.00 0.00 C ATOM 0 H ILE A 460 4.553 -6.063 6.646 1.00 0.00 H new ATOM 0 HA ILE A 460 3.891 -4.128 4.909 1.00 0.00 H new ATOM 0 HB ILE A 460 5.966 -3.690 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 460 3.051 -4.408 7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 460 4.400 -5.006 8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 460 4.788 -1.543 7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 460 5.423 -1.737 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 460 3.690 -1.979 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 460 2.966 -3.550 9.562 1.00 0.00 H new ATOM 0 HD12 ILE A 460 4.580 -2.827 9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 460 3.209 -2.220 8.405 1.00 0.00 H new ATOM 856 N TYR A 461 5.687 -3.628 3.274 1.00 0.00 N ATOM 857 CA TYR A 461 6.715 -3.273 2.304 1.00 0.00 C ATOM 858 C TYR A 461 6.542 -1.833 1.828 1.00 0.00 C ATOM 859 O TYR A 461 5.441 -1.414 1.473 1.00 0.00 O ATOM 860 CB TYR A 461 6.669 -4.225 1.108 1.00 0.00 C ATOM 861 CG TYR A 461 7.873 -4.117 0.200 1.00 0.00 C ATOM 862 CD1 TYR A 461 8.119 -2.958 -0.525 1.00 0.00 C ATOM 863 CD2 TYR A 461 8.765 -5.174 0.068 1.00 0.00 C ATOM 864 CE1 TYR A 461 9.217 -2.855 -1.357 1.00 0.00 C ATOM 865 CE2 TYR A 461 9.867 -5.079 -0.760 1.00 0.00 C ATOM 866 CZ TYR A 461 10.089 -3.918 -1.470 1.00 0.00 C ATOM 867 OH TYR A 461 11.185 -3.819 -2.296 1.00 0.00 O ATOM 0 H TYR A 461 4.731 -3.517 2.935 1.00 0.00 H new ATOM 0 HA TYR A 461 7.685 -3.361 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 461 6.590 -5.249 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 461 5.768 -4.023 0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 461 7.440 -2.123 -0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 461 8.594 -6.085 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 461 9.392 -1.947 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 461 10.551 -5.910 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 461 11.697 -4.654 -2.261 1.00 0.00 H new ATOM 877 N ILE A 462 7.638 -1.082 1.825 1.00 0.00 N ATOM 878 CA ILE A 462 7.609 0.309 1.393 1.00 0.00 C ATOM 879 C ILE A 462 8.687 0.583 0.349 1.00 0.00 C ATOM 880 O ILE A 462 9.830 0.151 0.494 1.00 0.00 O ATOM 881 CB ILE A 462 7.804 1.272 2.579 1.00 0.00 C ATOM 882 CG1 ILE A 462 6.665 1.109 3.588 1.00 0.00 C ATOM 883 CG2 ILE A 462 7.881 2.710 2.087 1.00 0.00 C ATOM 884 CD1 ILE A 462 7.036 1.536 4.991 1.00 0.00 C ATOM 0 H ILE A 462 8.557 -1.414 2.117 1.00 0.00 H new ATOM 0 HA ILE A 462 6.627 0.482 0.953 1.00 0.00 H new ATOM 0 HB ILE A 462 8.743 1.028 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 462 5.808 1.693 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 462 6.352 0.065 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 462 8.019 3.378 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 462 8.722 2.816 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 462 6.957 2.967 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 462 6.182 1.393 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 462 7.873 0.935 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 462 7.321 2.588 4.988 1.00 0.00 H new ATOM 896 N ALA A 463 8.314 1.305 -0.703 1.00 0.00 N ATOM 897 CA ALA A 463 9.249 1.640 -1.770 1.00 0.00 C ATOM 898 C ALA A 463 10.064 2.879 -1.416 1.00 0.00 C ATOM 899 O ALA A 463 9.508 3.930 -1.098 1.00 0.00 O ATOM 900 CB ALA A 463 8.503 1.853 -3.079 1.00 0.00 C ATOM 0 H ALA A 463 7.371 1.669 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 463 9.939 0.805 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 463 9.214 2.102 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 463 7.970 0.941 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 463 7.790 2.669 -2.963 1.00 0.00 H new ATOM 906 N TYR A 464 11.385 2.748 -1.473 1.00 0.00 N ATOM 907 CA TYR A 464 12.277 3.857 -1.155 1.00 0.00 C ATOM 908 C TYR A 464 13.109 4.252 -2.371 1.00 0.00 C ATOM 909 O TYR A 464 13.958 3.490 -2.831 1.00 0.00 O ATOM 910 CB TYR A 464 13.198 3.481 0.007 1.00 0.00 C ATOM 911 CG TYR A 464 12.467 3.255 1.310 1.00 0.00 C ATOM 912 CD1 TYR A 464 11.742 4.278 1.909 1.00 0.00 C ATOM 913 CD2 TYR A 464 12.502 2.019 1.944 1.00 0.00 C ATOM 914 CE1 TYR A 464 11.073 4.076 3.101 1.00 0.00 C ATOM 915 CE2 TYR A 464 11.834 1.808 3.135 1.00 0.00 C ATOM 916 CZ TYR A 464 11.122 2.839 3.710 1.00 0.00 C ATOM 917 OH TYR A 464 10.457 2.634 4.897 1.00 0.00 O ATOM 0 H TYR A 464 11.861 1.885 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 464 11.665 4.710 -0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 464 13.747 2.576 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 464 13.935 4.272 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 464 11.701 5.247 1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 464 13.061 1.209 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 464 10.515 4.882 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 464 11.869 0.840 3.613 1.00 0.00 H new ATOM 0 HH TYR A 464 10.592 1.709 5.192 1.00 0.00 H new ATOM 927 N GLY A 465 12.858 5.452 -2.887 1.00 0.00 N ATOM 928 CA GLY A 465 13.592 5.930 -4.045 1.00 0.00 C ATOM 929 C GLY A 465 15.084 5.695 -3.923 1.00 0.00 C ATOM 930 O GLY A 465 15.609 5.451 -2.836 1.00 0.00 O ATOM 0 H GLY A 465 12.160 6.101 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 465 13.220 5.429 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 465 13.405 6.996 -4.176 1.00 0.00 H new ATOM 934 N PRO A 466 15.794 5.768 -5.059 1.00 0.00 N ATOM 935 CA PRO A 466 17.245 5.564 -5.100 1.00 0.00 C ATOM 936 C PRO A 466 18.010 6.703 -4.435 1.00 0.00 C ATOM 937 O PRO A 466 19.176 6.552 -4.074 1.00 0.00 O ATOM 938 CB PRO A 466 17.553 5.516 -6.599 1.00 0.00 C ATOM 939 CG PRO A 466 16.454 6.292 -7.237 1.00 0.00 C ATOM 940 CD PRO A 466 15.234 6.055 -6.390 1.00 0.00 C ATOM 0 HA PRO A 466 17.546 4.667 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 466 18.526 5.956 -6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 466 17.577 4.490 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 466 16.699 7.353 -7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 466 16.287 5.962 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 466 14.582 6.928 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 466 14.640 5.221 -6.765 1.00 0.00 H new ATOM 948 N ASN A 467 17.345 7.842 -4.275 1.00 0.00 N ATOM 949 CA ASN A 467 17.963 9.007 -3.653 1.00 0.00 C ATOM 950 C ASN A 467 17.793 8.969 -2.137 1.00 0.00 C ATOM 951 O ASN A 467 18.317 9.821 -1.421 1.00 0.00 O ATOM 952 CB ASN A 467 17.354 10.294 -4.213 1.00 0.00 C ATOM 953 CG ASN A 467 17.189 10.248 -5.720 1.00 0.00 C ATOM 954 OD1 ASN A 467 16.071 10.201 -6.232 1.00 0.00 O ATOM 955 ND2 ASN A 467 18.306 10.259 -6.438 1.00 0.00 N ATOM 0 H ASN A 467 16.378 7.983 -4.567 1.00 0.00 H new ATOM 0 HA ASN A 467 19.028 8.987 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 467 16.383 10.465 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 467 17.988 11.139 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 467 18.258 10.228 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 467 19.212 10.299 -5.971 1.00 0.00 H new ATOM 962 N GLY A 468 17.055 7.973 -1.655 1.00 0.00 N ATOM 963 CA GLY A 468 16.829 7.842 -0.228 1.00 0.00 C ATOM 964 C GLY A 468 15.569 8.551 0.228 1.00 0.00 C ATOM 965 O GLY A 468 15.560 9.211 1.267 1.00 0.00 O ATOM 0 H GLY A 468 16.610 7.255 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 468 16.761 6.785 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 468 17.685 8.247 0.311 1.00 0.00 H new ATOM 969 N LYS A 469 14.502 8.418 -0.553 1.00 0.00 N ATOM 970 CA LYS A 469 13.230 9.051 -0.226 1.00 0.00 C ATOM 971 C LYS A 469 12.059 8.164 -0.635 1.00 0.00 C ATOM 972 O LYS A 469 11.965 7.736 -1.785 1.00 0.00 O ATOM 973 CB LYS A 469 13.121 10.411 -0.920 1.00 0.00 C ATOM 974 CG LYS A 469 14.198 11.396 -0.500 1.00 0.00 C ATOM 975 CD LYS A 469 13.783 12.184 0.731 1.00 0.00 C ATOM 976 CE LYS A 469 13.000 13.433 0.357 1.00 0.00 C ATOM 977 NZ LYS A 469 12.736 14.298 1.540 1.00 0.00 N ATOM 0 H LYS A 469 14.493 7.877 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 469 13.192 9.196 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 469 13.175 10.264 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 469 12.143 10.842 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 469 15.124 10.859 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 469 14.404 12.083 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 469 13.175 11.553 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 469 14.669 12.466 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 469 13.556 14.000 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 469 12.054 13.145 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 12.200 15.138 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 12.184 13.766 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 13.639 14.594 1.962 1.00 0.00 H new ATOM 991 N ALA A 470 11.168 7.893 0.313 1.00 0.00 N ATOM 992 CA ALA A 470 10.002 7.059 0.049 1.00 0.00 C ATOM 993 C ALA A 470 9.311 7.476 -1.244 1.00 0.00 C ATOM 994 O ALA A 470 8.972 8.645 -1.432 1.00 0.00 O ATOM 995 CB ALA A 470 9.028 7.130 1.217 1.00 0.00 C ATOM 0 H ALA A 470 11.231 8.239 1.270 1.00 0.00 H new ATOM 0 HA ALA A 470 10.340 6.029 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 470 8.162 6.503 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 470 9.520 6.777 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 470 8.704 8.161 1.358 1.00 0.00 H new ATOM 1001 N THR A 471 9.104 6.512 -2.136 1.00 0.00 N ATOM 1002 CA THR A 471 8.454 6.779 -3.414 1.00 0.00 C ATOM 1003 C THR A 471 6.981 7.120 -3.221 1.00 0.00 C ATOM 1004 O THR A 471 6.417 7.923 -3.963 1.00 0.00 O ATOM 1005 CB THR A 471 8.571 5.574 -4.366 1.00 0.00 C ATOM 1006 OG1 THR A 471 7.633 4.560 -3.990 1.00 0.00 O ATOM 1007 CG2 THR A 471 9.981 5.003 -4.345 1.00 0.00 C ATOM 0 H THR A 471 9.377 5.539 -1.997 1.00 0.00 H new ATOM 0 HA THR A 471 8.966 7.633 -3.857 1.00 0.00 H new ATOM 0 HB THR A 471 8.350 5.915 -5.378 1.00 0.00 H new ATOM 0 HG1 THR A 471 7.124 4.277 -4.778 1.00 0.00 H new ATOM 0 HG21 THR A 471 10.039 4.153 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 471 10.689 5.770 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 471 10.226 4.677 -3.334 1.00 0.00 H new ATOM 1015 N GLY A 472 6.362 6.503 -2.219 1.00 0.00 N ATOM 1016 CA GLY A 472 4.959 6.754 -1.947 1.00 0.00 C ATOM 1017 C GLY A 472 4.084 5.557 -2.261 1.00 0.00 C ATOM 1018 O GLY A 472 2.906 5.709 -2.583 1.00 0.00 O ATOM 0 H GLY A 472 6.807 5.834 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 472 4.838 7.023 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 472 4.625 7.608 -2.536 1.00 0.00 H new ATOM 1022 N GLU A 473 4.661 4.363 -2.168 1.00 0.00 N ATOM 1023 CA GLU A 473 3.925 3.136 -2.448 1.00 0.00 C ATOM 1024 C GLU A 473 4.198 2.082 -1.378 1.00 0.00 C ATOM 1025 O GLU A 473 5.304 1.552 -1.281 1.00 0.00 O ATOM 1026 CB GLU A 473 4.305 2.590 -3.826 1.00 0.00 C ATOM 1027 CG GLU A 473 4.063 3.574 -4.958 1.00 0.00 C ATOM 1028 CD GLU A 473 4.763 3.170 -6.241 1.00 0.00 C ATOM 1029 OE1 GLU A 473 5.936 3.556 -6.423 1.00 0.00 O ATOM 1030 OE2 GLU A 473 4.137 2.469 -7.064 1.00 0.00 O ATOM 0 H GLU A 473 5.635 4.220 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 473 2.861 3.371 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 473 5.358 2.309 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.734 1.681 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.992 3.654 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 473 4.409 4.562 -4.655 1.00 0.00 H new ATOM 1037 N GLY A 474 3.180 1.783 -0.576 1.00 0.00 N ATOM 1038 CA GLY A 474 3.330 0.795 0.476 1.00 0.00 C ATOM 1039 C GLY A 474 2.371 -0.368 0.320 1.00 0.00 C ATOM 1040 O GLY A 474 1.353 -0.255 -0.364 1.00 0.00 O ATOM 0 H GLY A 474 2.255 2.208 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 474 4.354 0.420 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 474 3.165 1.270 1.443 1.00 0.00 H new ATOM 1044 N PHE A 475 2.696 -1.490 0.954 1.00 0.00 N ATOM 1045 CA PHE A 475 1.856 -2.680 0.880 1.00 0.00 C ATOM 1046 C PHE A 475 1.798 -3.389 2.230 1.00 0.00 C ATOM 1047 O PHE A 475 2.801 -3.483 2.938 1.00 0.00 O ATOM 1048 CB PHE A 475 2.385 -3.638 -0.189 1.00 0.00 C ATOM 1049 CG PHE A 475 2.587 -2.989 -1.529 1.00 0.00 C ATOM 1050 CD1 PHE A 475 1.546 -2.912 -2.440 1.00 0.00 C ATOM 1051 CD2 PHE A 475 3.817 -2.455 -1.876 1.00 0.00 C ATOM 1052 CE1 PHE A 475 1.729 -2.315 -3.673 1.00 0.00 C ATOM 1053 CE2 PHE A 475 4.006 -1.857 -3.108 1.00 0.00 C ATOM 1054 CZ PHE A 475 2.960 -1.786 -4.007 1.00 0.00 C ATOM 0 H PHE A 475 3.534 -1.600 1.524 1.00 0.00 H new ATOM 0 HA PHE A 475 0.848 -2.366 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.332 -4.059 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 475 1.688 -4.469 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.581 -3.323 -2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 475 4.638 -2.506 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 475 0.910 -2.262 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 475 4.970 -1.446 -3.367 1.00 0.00 H new ATOM 0 HZ PHE A 475 3.105 -1.318 -4.969 1.00 0.00 H new ATOM 1064 N VAL A 476 0.616 -3.886 2.581 1.00 0.00 N ATOM 1065 CA VAL A 476 0.426 -4.587 3.845 1.00 0.00 C ATOM 1066 C VAL A 476 -0.459 -5.815 3.664 1.00 0.00 C ATOM 1067 O VAL A 476 -1.281 -5.871 2.750 1.00 0.00 O ATOM 1068 CB VAL A 476 -0.202 -3.667 4.908 1.00 0.00 C ATOM 1069 CG1 VAL A 476 -0.790 -4.488 6.045 1.00 0.00 C ATOM 1070 CG2 VAL A 476 0.828 -2.677 5.431 1.00 0.00 C ATOM 0 H VAL A 476 -0.224 -3.816 2.007 1.00 0.00 H new ATOM 0 HA VAL A 476 1.413 -4.901 4.185 1.00 0.00 H new ATOM 0 HB VAL A 476 -1.011 -3.103 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.229 -3.821 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.560 -5.153 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.003 -5.080 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 476 0.367 -2.035 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 476 1.660 -3.220 5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 476 1.196 -2.066 4.607 1.00 0.00 H new ATOM 1080 N GLU A 477 -0.286 -6.798 4.543 1.00 0.00 N ATOM 1081 CA GLU A 477 -1.069 -8.026 4.480 1.00 0.00 C ATOM 1082 C GLU A 477 -1.651 -8.371 5.848 1.00 0.00 C ATOM 1083 O GLU A 477 -0.949 -8.341 6.859 1.00 0.00 O ATOM 1084 CB GLU A 477 -0.205 -9.183 3.974 1.00 0.00 C ATOM 1085 CG GLU A 477 -0.864 -10.544 4.122 1.00 0.00 C ATOM 1086 CD GLU A 477 0.052 -11.683 3.718 1.00 0.00 C ATOM 1087 OE1 GLU A 477 0.976 -12.004 4.494 1.00 0.00 O ATOM 1088 OE2 GLU A 477 -0.155 -12.252 2.626 1.00 0.00 O ATOM 0 H GLU A 477 0.389 -6.767 5.307 1.00 0.00 H new ATOM 0 HA GLU A 477 -1.893 -7.866 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 477 0.032 -9.016 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 477 0.740 -9.185 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.175 -10.682 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.767 -10.575 3.512 1.00 0.00 H new ATOM 1095 N PHE A 478 -2.939 -8.697 5.871 1.00 0.00 N ATOM 1096 CA PHE A 478 -3.617 -9.047 7.114 1.00 0.00 C ATOM 1097 C PHE A 478 -3.817 -10.556 7.219 1.00 0.00 C ATOM 1098 O PHE A 478 -4.463 -11.168 6.369 1.00 0.00 O ATOM 1099 CB PHE A 478 -4.968 -8.335 7.201 1.00 0.00 C ATOM 1100 CG PHE A 478 -4.880 -6.851 6.981 1.00 0.00 C ATOM 1101 CD1 PHE A 478 -4.403 -6.017 7.980 1.00 0.00 C ATOM 1102 CD2 PHE A 478 -5.273 -6.291 5.776 1.00 0.00 C ATOM 1103 CE1 PHE A 478 -4.321 -4.652 7.780 1.00 0.00 C ATOM 1104 CE2 PHE A 478 -5.192 -4.926 5.571 1.00 0.00 C ATOM 1105 CZ PHE A 478 -4.715 -4.106 6.575 1.00 0.00 C ATOM 0 H PHE A 478 -3.534 -8.726 5.043 1.00 0.00 H new ATOM 0 HA PHE A 478 -2.989 -8.723 7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 478 -5.644 -8.764 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 478 -5.406 -8.523 8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 478 -4.092 -6.438 8.925 1.00 0.00 H new ATOM 0 HD2 PHE A 478 -5.647 -6.928 4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 478 -3.949 -4.012 8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 478 -5.501 -4.502 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 478 -4.650 -3.040 6.417 1.00 0.00 H new ATOM 1115 N ARG A 479 -3.257 -11.149 8.268 1.00 0.00 N ATOM 1116 CA ARG A 479 -3.371 -12.586 8.484 1.00 0.00 C ATOM 1117 C ARG A 479 -4.815 -13.049 8.311 1.00 0.00 C ATOM 1118 O ARG A 479 -5.128 -13.808 7.395 1.00 0.00 O ATOM 1119 CB ARG A 479 -2.871 -12.955 9.882 1.00 0.00 C ATOM 1120 CG ARG A 479 -1.383 -13.259 9.936 1.00 0.00 C ATOM 1121 CD ARG A 479 -1.017 -14.031 11.194 1.00 0.00 C ATOM 1122 NE ARG A 479 0.408 -13.932 11.502 1.00 0.00 N ATOM 1123 CZ ARG A 479 1.336 -14.698 10.940 1.00 0.00 C ATOM 1124 NH1 ARG A 479 0.992 -15.614 10.046 1.00 0.00 N ATOM 1125 NH2 ARG A 479 2.612 -14.548 11.272 1.00 0.00 N ATOM 0 H ARG A 479 -2.720 -10.656 8.982 1.00 0.00 H new ATOM 0 HA ARG A 479 -2.754 -13.089 7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 479 -3.091 -12.135 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 479 -3.424 -13.824 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 479 -1.097 -13.837 9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 479 -0.819 -12.327 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 479 -1.597 -13.650 12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 479 -1.289 -15.079 11.068 1.00 0.00 H new ATOM 0 HE ARG A 479 0.706 -13.237 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 479 0.012 -15.732 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 479 1.707 -16.201 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 479 2.881 -13.844 11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 479 3.324 -15.137 10.840 1.00 0.00 H new ATOM 1139 N ASN A 480 -5.690 -12.586 9.198 1.00 0.00 N ATOM 1140 CA ASN A 480 -7.100 -12.952 9.144 1.00 0.00 C ATOM 1141 C ASN A 480 -7.797 -12.264 7.974 1.00 0.00 C ATOM 1142 O ASN A 480 -7.285 -11.292 7.420 1.00 0.00 O ATOM 1143 CB ASN A 480 -7.796 -12.583 10.455 1.00 0.00 C ATOM 1144 CG ASN A 480 -7.265 -13.375 11.634 1.00 0.00 C ATOM 1145 OD1 ASN A 480 -7.802 -14.427 11.981 1.00 0.00 O ATOM 1146 ND2 ASN A 480 -6.206 -12.871 12.257 1.00 0.00 N ATOM 0 H ASN A 480 -5.447 -11.956 9.963 1.00 0.00 H new ATOM 0 HA ASN A 480 -7.163 -14.030 8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 480 -7.663 -11.518 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 480 -8.867 -12.758 10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 480 -5.805 -13.359 13.058 1.00 0.00 H new ATOM 0 HD22 ASN A 480 -5.793 -11.996 11.935 1.00 0.00 H new ATOM 1153 N GLU A 481 -8.967 -12.775 7.605 1.00 0.00 N ATOM 1154 CA GLU A 481 -9.734 -12.209 6.501 1.00 0.00 C ATOM 1155 C GLU A 481 -10.794 -11.240 7.015 1.00 0.00 C ATOM 1156 O GLU A 481 -11.204 -10.320 6.309 1.00 0.00 O ATOM 1157 CB GLU A 481 -10.396 -13.323 5.687 1.00 0.00 C ATOM 1158 CG GLU A 481 -11.201 -12.814 4.503 1.00 0.00 C ATOM 1159 CD GLU A 481 -12.287 -13.783 4.076 1.00 0.00 C ATOM 1160 OE1 GLU A 481 -11.946 -14.904 3.645 1.00 0.00 O ATOM 1161 OE2 GLU A 481 -13.478 -13.420 4.175 1.00 0.00 O ATOM 0 H GLU A 481 -9.405 -13.580 8.054 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.046 -11.659 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -9.626 -14.005 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -11.051 -13.899 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -11.654 -11.857 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -10.530 -12.633 3.663 1.00 0.00 H new ATOM 1168 N ALA A 482 -11.235 -11.456 8.251 1.00 0.00 N ATOM 1169 CA ALA A 482 -12.246 -10.602 8.861 1.00 0.00 C ATOM 1170 C ALA A 482 -11.703 -9.198 9.108 1.00 0.00 C ATOM 1171 O ALA A 482 -12.424 -8.210 8.968 1.00 0.00 O ATOM 1172 CB ALA A 482 -12.740 -11.215 10.163 1.00 0.00 C ATOM 0 H ALA A 482 -10.908 -12.215 8.849 1.00 0.00 H new ATOM 0 HA ALA A 482 -13.084 -10.523 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 482 -13.495 -10.566 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 482 -13.176 -12.194 9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 482 -11.904 -11.325 10.854 1.00 0.00 H new ATOM 1178 N ASP A 483 -10.429 -9.118 9.476 1.00 0.00 N ATOM 1179 CA ASP A 483 -9.789 -7.835 9.743 1.00 0.00 C ATOM 1180 C ASP A 483 -9.394 -7.144 8.441 1.00 0.00 C ATOM 1181 O ASP A 483 -9.374 -5.916 8.360 1.00 0.00 O ATOM 1182 CB ASP A 483 -8.556 -8.030 10.626 1.00 0.00 C ATOM 1183 CG ASP A 483 -7.357 -8.530 9.844 1.00 0.00 C ATOM 1184 OD1 ASP A 483 -7.555 -9.309 8.888 1.00 0.00 O ATOM 1185 OD2 ASP A 483 -6.221 -8.142 10.188 1.00 0.00 O ATOM 0 H ASP A 483 -9.819 -9.927 9.596 1.00 0.00 H new ATOM 0 HA ASP A 483 -10.505 -7.202 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 483 -8.304 -7.085 11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 483 -8.790 -8.739 11.420 1.00 0.00 H new ATOM 1190 N TYR A 484 -9.080 -7.941 7.426 1.00 0.00 N ATOM 1191 CA TYR A 484 -8.682 -7.407 6.129 1.00 0.00 C ATOM 1192 C TYR A 484 -9.775 -6.514 5.549 1.00 0.00 C ATOM 1193 O TYR A 484 -9.501 -5.428 5.038 1.00 0.00 O ATOM 1194 CB TYR A 484 -8.371 -8.547 5.158 1.00 0.00 C ATOM 1195 CG TYR A 484 -8.613 -8.190 3.709 1.00 0.00 C ATOM 1196 CD1 TYR A 484 -7.878 -7.189 3.087 1.00 0.00 C ATOM 1197 CD2 TYR A 484 -9.576 -8.857 2.961 1.00 0.00 C ATOM 1198 CE1 TYR A 484 -8.096 -6.860 1.763 1.00 0.00 C ATOM 1199 CE2 TYR A 484 -9.800 -8.535 1.636 1.00 0.00 C ATOM 1200 CZ TYR A 484 -9.058 -7.536 1.042 1.00 0.00 C ATOM 1201 OH TYR A 484 -9.278 -7.212 -0.277 1.00 0.00 O ATOM 0 H TYR A 484 -9.093 -8.960 7.476 1.00 0.00 H new ATOM 0 HA TYR A 484 -7.784 -6.806 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 484 -7.330 -8.844 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 484 -8.982 -9.411 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 484 -7.123 -6.659 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 484 -10.159 -9.640 3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 484 -7.516 -6.078 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 484 -10.552 -9.063 1.069 1.00 0.00 H new ATOM 0 HH TYR A 484 -9.987 -7.782 -0.640 1.00 0.00 H new ATOM 1211 N LYS A 485 -11.017 -6.980 5.634 1.00 0.00 N ATOM 1212 CA LYS A 485 -12.154 -6.225 5.120 1.00 0.00 C ATOM 1213 C LYS A 485 -12.227 -4.845 5.765 1.00 0.00 C ATOM 1214 O LYS A 485 -12.389 -3.836 5.079 1.00 0.00 O ATOM 1215 CB LYS A 485 -13.456 -6.988 5.375 1.00 0.00 C ATOM 1216 CG LYS A 485 -13.591 -8.254 4.546 1.00 0.00 C ATOM 1217 CD LYS A 485 -14.785 -9.084 4.986 1.00 0.00 C ATOM 1218 CE LYS A 485 -15.141 -10.141 3.951 1.00 0.00 C ATOM 1219 NZ LYS A 485 -15.820 -9.549 2.765 1.00 0.00 N ATOM 0 H LYS A 485 -11.262 -7.877 6.054 1.00 0.00 H new ATOM 0 HA LYS A 485 -12.018 -6.098 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 485 -13.514 -7.248 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 485 -14.300 -6.332 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 485 -13.697 -7.991 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 485 -12.681 -8.848 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 485 -14.563 -9.566 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 485 -15.642 -8.431 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 485 -14.235 -10.656 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 485 -15.790 -10.890 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 -16.211 -10.310 2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 -16.590 -8.926 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 -15.134 -8.998 2.211 1.00 0.00 H new ATOM 1233 N ALA A 486 -12.105 -4.808 7.088 1.00 0.00 N ATOM 1234 CA ALA A 486 -12.154 -3.551 7.825 1.00 0.00 C ATOM 1235 C ALA A 486 -11.174 -2.536 7.246 1.00 0.00 C ATOM 1236 O ALA A 486 -11.500 -1.359 7.098 1.00 0.00 O ATOM 1237 CB ALA A 486 -11.859 -3.791 9.298 1.00 0.00 C ATOM 0 H ALA A 486 -11.972 -5.634 7.671 1.00 0.00 H new ATOM 0 HA ALA A 486 -13.160 -3.141 7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 486 -11.899 -2.844 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 486 -12.601 -4.475 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 486 -10.866 -4.227 9.404 1.00 0.00 H new ATOM 1243 N ALA A 487 -9.972 -3.001 6.920 1.00 0.00 N ATOM 1244 CA ALA A 487 -8.945 -2.134 6.356 1.00 0.00 C ATOM 1245 C ALA A 487 -9.524 -1.233 5.270 1.00 0.00 C ATOM 1246 O ALA A 487 -9.248 -0.033 5.233 1.00 0.00 O ATOM 1247 CB ALA A 487 -7.800 -2.966 5.799 1.00 0.00 C ATOM 0 H ALA A 487 -9.686 -3.973 7.037 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.562 -1.498 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.040 -2.306 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.362 -3.563 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.177 -3.626 5.018 1.00 0.00 H new ATOM 1253 N LEU A 488 -10.325 -1.818 4.387 1.00 0.00 N ATOM 1254 CA LEU A 488 -10.942 -1.068 3.299 1.00 0.00 C ATOM 1255 C LEU A 488 -11.790 0.079 3.840 1.00 0.00 C ATOM 1256 O LEU A 488 -11.904 1.131 3.210 1.00 0.00 O ATOM 1257 CB LEU A 488 -11.805 -1.994 2.439 1.00 0.00 C ATOM 1258 CG LEU A 488 -11.049 -2.953 1.519 1.00 0.00 C ATOM 1259 CD1 LEU A 488 -9.876 -2.246 0.859 1.00 0.00 C ATOM 1260 CD2 LEU A 488 -10.572 -4.171 2.295 1.00 0.00 C ATOM 0 H LEU A 488 -10.563 -2.810 4.403 1.00 0.00 H new ATOM 0 HA LEU A 488 -10.146 -0.648 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 488 -12.441 -2.582 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 488 -12.464 -1.379 1.827 1.00 0.00 H new ATOM 0 HG LEU A 488 -11.730 -3.289 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 488 -9.350 -2.944 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 488 -10.243 -1.406 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 488 -9.193 -1.880 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 488 -10.036 -4.843 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 488 -9.907 -3.853 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -11.431 -4.691 2.719 1.00 0.00 H new ATOM 1272 N CYS A 489 -12.381 -0.131 5.011 1.00 0.00 N ATOM 1273 CA CYS A 489 -13.218 0.885 5.639 1.00 0.00 C ATOM 1274 C CYS A 489 -12.409 2.141 5.947 1.00 0.00 C ATOM 1275 O CYS A 489 -12.969 3.217 6.155 1.00 0.00 O ATOM 1276 CB CYS A 489 -13.844 0.339 6.923 1.00 0.00 C ATOM 1277 SG CYS A 489 -15.267 1.287 7.512 1.00 0.00 S ATOM 0 H CYS A 489 -12.296 -0.996 5.545 1.00 0.00 H new ATOM 0 HA CYS A 489 -14.012 1.148 4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -14.153 -0.692 6.754 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -13.085 0.320 7.705 1.00 0.00 H new ATOM 0 HG CYS A 489 -15.728 0.747 8.601 1.00 0.00 H new ATOM 1283 N ARG A 490 -11.088 1.995 5.976 1.00 0.00 N ATOM 1284 CA ARG A 490 -10.202 3.117 6.262 1.00 0.00 C ATOM 1285 C ARG A 490 -9.689 3.747 4.970 1.00 0.00 C ATOM 1286 O ARG A 490 -8.517 4.112 4.868 1.00 0.00 O ATOM 1287 CB ARG A 490 -9.023 2.657 7.121 1.00 0.00 C ATOM 1288 CG ARG A 490 -9.440 1.928 8.388 1.00 0.00 C ATOM 1289 CD ARG A 490 -8.413 2.103 9.495 1.00 0.00 C ATOM 1290 NE ARG A 490 -8.359 3.480 9.979 1.00 0.00 N ATOM 1291 CZ ARG A 490 -7.502 3.902 10.902 1.00 0.00 C ATOM 1292 NH1 ARG A 490 -6.632 3.058 11.438 1.00 0.00 N ATOM 1293 NH2 ARG A 490 -7.514 5.171 11.290 1.00 0.00 N ATOM 0 H ARG A 490 -10.608 1.111 5.805 1.00 0.00 H new ATOM 0 HA ARG A 490 -10.772 3.867 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 490 -8.386 2.001 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 490 -8.422 3.525 7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 490 -10.406 2.304 8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 490 -9.568 0.867 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 490 -8.656 1.437 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 490 -7.430 1.809 9.127 1.00 0.00 H new ATOM 0 HE ARG A 490 -9.016 4.155 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 490 -6.619 2.082 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 490 -5.975 3.384 12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 490 -8.182 5.824 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 490 -6.855 5.494 11.999 1.00 0.00 H new ATOM 1307 N HIS A 491 -10.573 3.871 3.986 1.00 0.00 N ATOM 1308 CA HIS A 491 -10.210 4.457 2.701 1.00 0.00 C ATOM 1309 C HIS A 491 -10.346 5.977 2.738 1.00 0.00 C ATOM 1310 O HIS A 491 -11.068 6.526 3.571 1.00 0.00 O ATOM 1311 CB HIS A 491 -11.087 3.883 1.588 1.00 0.00 C ATOM 1312 CG HIS A 491 -10.909 4.571 0.269 1.00 0.00 C ATOM 1313 ND1 HIS A 491 -9.785 4.417 -0.514 1.00 0.00 N ATOM 1314 CD2 HIS A 491 -11.722 5.419 -0.404 1.00 0.00 C ATOM 1315 CE1 HIS A 491 -9.913 5.142 -1.611 1.00 0.00 C ATOM 1316 NE2 HIS A 491 -11.080 5.759 -1.569 1.00 0.00 N ATOM 0 H HIS A 491 -11.546 3.573 4.054 1.00 0.00 H new ATOM 0 HA HIS A 491 -9.168 4.207 2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 491 -10.861 2.823 1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 491 -12.133 3.954 1.887 1.00 0.00 H new ATOM 0 HD2 HIS A 491 -12.694 5.764 -0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 491 -9.187 5.217 -2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 491 -11.445 6.386 -2.286 1.00 0.00 H new ATOM 1325 N LYS A 492 -9.646 6.651 1.832 1.00 0.00 N ATOM 1326 CA LYS A 492 -9.688 8.107 1.760 1.00 0.00 C ATOM 1327 C LYS A 492 -9.301 8.729 3.098 1.00 0.00 C ATOM 1328 O LYS A 492 -9.989 9.616 3.602 1.00 0.00 O ATOM 1329 CB LYS A 492 -11.086 8.578 1.352 1.00 0.00 C ATOM 1330 CG LYS A 492 -11.282 8.670 -0.151 1.00 0.00 C ATOM 1331 CD LYS A 492 -10.898 10.041 -0.681 1.00 0.00 C ATOM 1332 CE LYS A 492 -12.023 11.047 -0.491 1.00 0.00 C ATOM 1333 NZ LYS A 492 -11.696 12.366 -1.101 1.00 0.00 N ATOM 0 H LYS A 492 -9.042 6.212 1.137 1.00 0.00 H new ATOM 0 HA LYS A 492 -8.969 8.430 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -11.826 7.893 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -11.275 9.556 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -10.680 7.907 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -12.324 8.463 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -10.003 10.393 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -10.650 9.967 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -12.938 10.657 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -12.218 11.177 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -12.487 13.024 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -10.837 12.750 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -11.535 12.246 -2.121 1.00 0.00 H new ATOM 1347 N GLN A 493 -8.196 8.258 3.667 1.00 0.00 N ATOM 1348 CA GLN A 493 -7.718 8.770 4.946 1.00 0.00 C ATOM 1349 C GLN A 493 -6.434 9.573 4.765 1.00 0.00 C ATOM 1350 O GLN A 493 -5.740 9.434 3.758 1.00 0.00 O ATOM 1351 CB GLN A 493 -7.480 7.617 5.923 1.00 0.00 C ATOM 1352 CG GLN A 493 -8.754 7.093 6.567 1.00 0.00 C ATOM 1353 CD GLN A 493 -9.649 8.204 7.078 1.00 0.00 C ATOM 1354 OE1 GLN A 493 -9.340 8.857 8.075 1.00 0.00 O ATOM 1355 NE2 GLN A 493 -10.767 8.425 6.397 1.00 0.00 N ATOM 0 H GLN A 493 -7.615 7.523 3.263 1.00 0.00 H new ATOM 0 HA GLN A 493 -8.483 9.431 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 493 -6.987 6.800 5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 493 -6.797 7.949 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 493 -9.304 6.494 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 493 -8.493 6.432 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 493 -10.984 7.860 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 493 -11.409 9.160 6.695 1.00 0.00 H new ATOM 1364 N TYR A 494 -6.124 10.411 5.748 1.00 0.00 N ATOM 1365 CA TYR A 494 -4.924 11.239 5.696 1.00 0.00 C ATOM 1366 C TYR A 494 -3.894 10.769 6.718 1.00 0.00 C ATOM 1367 O TYR A 494 -4.233 10.461 7.861 1.00 0.00 O ATOM 1368 CB TYR A 494 -5.279 12.705 5.950 1.00 0.00 C ATOM 1369 CG TYR A 494 -5.845 13.409 4.738 1.00 0.00 C ATOM 1370 CD1 TYR A 494 -7.022 12.972 4.142 1.00 0.00 C ATOM 1371 CD2 TYR A 494 -5.204 14.513 4.189 1.00 0.00 C ATOM 1372 CE1 TYR A 494 -7.542 13.612 3.034 1.00 0.00 C ATOM 1373 CE2 TYR A 494 -5.718 15.160 3.082 1.00 0.00 C ATOM 1374 CZ TYR A 494 -6.887 14.706 2.508 1.00 0.00 C ATOM 1375 OH TYR A 494 -7.403 15.347 1.405 1.00 0.00 O ATOM 0 H TYR A 494 -6.686 10.535 6.590 1.00 0.00 H new ATOM 0 HA TYR A 494 -4.491 11.145 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 494 -6.003 12.759 6.763 1.00 0.00 H new ATOM 0 HB3 TYR A 494 -4.386 13.234 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 494 -7.539 12.117 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 494 -4.288 14.871 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 494 -8.457 13.258 2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 494 -5.207 16.017 2.668 1.00 0.00 H new ATOM 0 HH TYR A 494 -6.822 16.098 1.162 1.00 0.00 H new ATOM 1385 N MET A 495 -2.634 10.717 6.298 1.00 0.00 N ATOM 1386 CA MET A 495 -1.553 10.287 7.177 1.00 0.00 C ATOM 1387 C MET A 495 -0.859 11.487 7.814 1.00 0.00 C ATOM 1388 O MET A 495 0.153 11.971 7.309 1.00 0.00 O ATOM 1389 CB MET A 495 -0.537 9.450 6.399 1.00 0.00 C ATOM 1390 CG MET A 495 0.574 8.881 7.267 1.00 0.00 C ATOM 1391 SD MET A 495 0.045 7.446 8.222 1.00 0.00 S ATOM 1392 CE MET A 495 0.441 6.119 7.086 1.00 0.00 C ATOM 0 H MET A 495 -2.337 10.967 5.355 1.00 0.00 H new ATOM 0 HA MET A 495 -1.985 9.677 7.970 1.00 0.00 H new ATOM 0 HB2 MET A 495 -1.057 8.629 5.905 1.00 0.00 H new ATOM 0 HB3 MET A 495 -0.095 10.066 5.615 1.00 0.00 H new ATOM 0 HG2 MET A 495 1.416 8.601 6.634 1.00 0.00 H new ATOM 0 HG3 MET A 495 0.930 9.654 7.948 1.00 0.00 H new ATOM 0 HE1 MET A 495 0.443 5.170 7.622 1.00 0.00 H new ATOM 0 HE2 MET A 495 -0.305 6.086 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 495 1.426 6.293 6.652 1.00 0.00 H new ATOM 1402 N GLY A 496 -1.411 11.964 8.925 1.00 0.00 N ATOM 1403 CA GLY A 496 -0.832 13.104 9.612 1.00 0.00 C ATOM 1404 C GLY A 496 -1.051 14.404 8.863 1.00 0.00 C ATOM 1405 O GLY A 496 -1.952 15.174 9.192 1.00 0.00 O ATOM 0 H GLY A 496 -2.249 11.581 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -1.268 13.184 10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 496 0.237 12.940 9.744 1.00 0.00 H new ATOM 1409 N ASN A 497 -0.223 14.649 7.852 1.00 0.00 N ATOM 1410 CA ASN A 497 -0.328 15.866 7.056 1.00 0.00 C ATOM 1411 C ASN A 497 -0.461 15.536 5.572 1.00 0.00 C ATOM 1412 O ASN A 497 -0.795 16.400 4.761 1.00 0.00 O ATOM 1413 CB ASN A 497 0.894 16.758 7.284 1.00 0.00 C ATOM 1414 CG ASN A 497 1.163 17.005 8.756 1.00 0.00 C ATOM 1415 OD1 ASN A 497 2.037 16.377 9.353 1.00 0.00 O ATOM 1416 ND2 ASN A 497 0.410 17.925 9.348 1.00 0.00 N ATOM 0 H ASN A 497 0.528 14.021 7.565 1.00 0.00 H new ATOM 0 HA ASN A 497 -1.223 16.401 7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 497 1.769 16.293 6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 497 0.743 17.713 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 497 0.545 18.135 10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 497 -0.303 18.421 8.814 1.00 0.00 H new ATOM 1423 N ARG A 498 -0.198 14.280 5.226 1.00 0.00 N ATOM 1424 CA ARG A 498 -0.288 13.835 3.840 1.00 0.00 C ATOM 1425 C ARG A 498 -1.595 13.088 3.593 1.00 0.00 C ATOM 1426 O ARG A 498 -2.413 12.930 4.499 1.00 0.00 O ATOM 1427 CB ARG A 498 0.900 12.936 3.493 1.00 0.00 C ATOM 1428 CG ARG A 498 2.178 13.703 3.197 1.00 0.00 C ATOM 1429 CD ARG A 498 2.088 14.446 1.873 1.00 0.00 C ATOM 1430 NE ARG A 498 1.457 15.754 2.022 1.00 0.00 N ATOM 1431 CZ ARG A 498 2.097 16.834 2.456 1.00 0.00 C ATOM 1432 NH1 ARG A 498 3.380 16.762 2.782 1.00 0.00 N ATOM 1433 NH2 ARG A 498 1.454 17.990 2.564 1.00 0.00 N ATOM 0 H ARG A 498 0.079 13.553 5.886 1.00 0.00 H new ATOM 0 HA ARG A 498 -0.267 14.716 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 498 1.081 12.251 4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 498 0.643 12.327 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 498 2.372 14.413 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 498 3.021 13.012 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 498 3.088 14.571 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 498 1.520 13.849 1.160 1.00 0.00 H new ATOM 0 HE ARG A 498 0.470 15.843 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 498 3.878 15.876 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 498 3.869 17.593 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 498 0.467 18.050 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 498 1.947 18.818 2.897 1.00 0.00 H new ATOM 1447 N PHE A 499 -1.785 12.631 2.359 1.00 0.00 N ATOM 1448 CA PHE A 499 -2.993 11.902 1.992 1.00 0.00 C ATOM 1449 C PHE A 499 -2.645 10.557 1.359 1.00 0.00 C ATOM 1450 O PHE A 499 -1.812 10.481 0.456 1.00 0.00 O ATOM 1451 CB PHE A 499 -3.839 12.730 1.023 1.00 0.00 C ATOM 1452 CG PHE A 499 -5.034 11.993 0.489 1.00 0.00 C ATOM 1453 CD1 PHE A 499 -6.046 11.579 1.340 1.00 0.00 C ATOM 1454 CD2 PHE A 499 -5.145 11.713 -0.863 1.00 0.00 C ATOM 1455 CE1 PHE A 499 -7.147 10.900 0.853 1.00 0.00 C ATOM 1456 CE2 PHE A 499 -6.244 11.035 -1.357 1.00 0.00 C ATOM 1457 CZ PHE A 499 -7.245 10.627 -0.498 1.00 0.00 C ATOM 0 H PHE A 499 -1.118 12.753 1.597 1.00 0.00 H new ATOM 0 HA PHE A 499 -3.567 11.719 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 499 -4.177 13.634 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 499 -3.215 13.047 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 499 -5.974 11.789 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 499 -4.364 12.028 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 499 -7.929 10.583 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 499 -6.319 10.825 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 499 -8.103 10.095 -0.881 1.00 0.00 H new ATOM 1467 N ILE A 500 -3.290 9.500 1.841 1.00 0.00 N ATOM 1468 CA ILE A 500 -3.050 8.158 1.323 1.00 0.00 C ATOM 1469 C ILE A 500 -4.359 7.470 0.952 1.00 0.00 C ATOM 1470 O ILE A 500 -5.379 7.657 1.614 1.00 0.00 O ATOM 1471 CB ILE A 500 -2.297 7.287 2.346 1.00 0.00 C ATOM 1472 CG1 ILE A 500 -0.825 7.701 2.416 1.00 0.00 C ATOM 1473 CG2 ILE A 500 -2.422 5.815 1.981 1.00 0.00 C ATOM 1474 CD1 ILE A 500 -0.607 9.049 3.067 1.00 0.00 C ATOM 0 H ILE A 500 -3.982 9.546 2.589 1.00 0.00 H new ATOM 0 HA ILE A 500 -2.435 8.269 0.430 1.00 0.00 H new ATOM 0 HB ILE A 500 -2.744 7.437 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 500 -0.269 6.945 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 500 -0.414 7.723 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 500 -1.885 5.212 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 500 -3.474 5.529 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 500 -1.997 5.648 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 500 0.459 9.278 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 500 -1.135 9.816 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 500 -0.988 9.026 4.088 1.00 0.00 H new ATOM 1486 N GLN A 501 -4.321 6.672 -0.110 1.00 0.00 N ATOM 1487 CA GLN A 501 -5.504 5.955 -0.569 1.00 0.00 C ATOM 1488 C GLN A 501 -5.360 4.456 -0.328 1.00 0.00 C ATOM 1489 O GLN A 501 -4.268 3.899 -0.448 1.00 0.00 O ATOM 1490 CB GLN A 501 -5.745 6.223 -2.056 1.00 0.00 C ATOM 1491 CG GLN A 501 -6.591 7.458 -2.322 1.00 0.00 C ATOM 1492 CD GLN A 501 -6.436 7.977 -3.738 1.00 0.00 C ATOM 1493 OE1 GLN A 501 -5.381 7.828 -4.354 1.00 0.00 O ATOM 1494 NE2 GLN A 501 -7.491 8.589 -4.263 1.00 0.00 N ATOM 0 H GLN A 501 -3.484 6.506 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 501 -6.360 6.316 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -4.784 6.337 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -6.234 5.355 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -7.639 7.222 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -6.313 8.243 -1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -8.346 8.690 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -7.446 8.958 -5.213 1.00 0.00 H new ATOM 1503 N VAL A 502 -6.468 3.807 0.014 1.00 0.00 N ATOM 1504 CA VAL A 502 -6.465 2.372 0.272 1.00 0.00 C ATOM 1505 C VAL A 502 -7.221 1.617 -0.815 1.00 0.00 C ATOM 1506 O VAL A 502 -8.417 1.831 -1.019 1.00 0.00 O ATOM 1507 CB VAL A 502 -7.094 2.046 1.640 1.00 0.00 C ATOM 1508 CG1 VAL A 502 -7.337 0.550 1.774 1.00 0.00 C ATOM 1509 CG2 VAL A 502 -6.209 2.554 2.768 1.00 0.00 C ATOM 0 H VAL A 502 -7.380 4.252 0.119 1.00 0.00 H new ATOM 0 HA VAL A 502 -5.423 2.053 0.274 1.00 0.00 H new ATOM 0 HB VAL A 502 -8.056 2.553 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 502 -7.782 0.339 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 502 -8.014 0.219 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 502 -6.390 0.018 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 502 -6.669 2.315 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 502 -5.231 2.077 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 502 -6.092 3.634 2.681 1.00 0.00 H new ATOM 1519 N HIS A 503 -6.516 0.731 -1.512 1.00 0.00 N ATOM 1520 CA HIS A 503 -7.121 -0.058 -2.580 1.00 0.00 C ATOM 1521 C HIS A 503 -6.804 -1.540 -2.405 1.00 0.00 C ATOM 1522 O HIS A 503 -5.662 -1.932 -2.163 1.00 0.00 O ATOM 1523 CB HIS A 503 -6.625 0.425 -3.943 1.00 0.00 C ATOM 1524 CG HIS A 503 -7.030 1.830 -4.265 1.00 0.00 C ATOM 1525 ND1 HIS A 503 -7.970 2.140 -5.226 1.00 0.00 N ATOM 1526 CD2 HIS A 503 -6.620 3.011 -3.747 1.00 0.00 C ATOM 1527 CE1 HIS A 503 -8.118 3.452 -5.285 1.00 0.00 C ATOM 1528 NE2 HIS A 503 -7.311 4.003 -4.398 1.00 0.00 N ATOM 0 H HIS A 503 -5.526 0.541 -1.357 1.00 0.00 H new ATOM 0 HA HIS A 503 -8.202 0.073 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -5.538 0.354 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -7.008 -0.241 -4.716 1.00 0.00 H new ATOM 0 HD1 HIS A 503 -8.472 1.463 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -5.886 3.148 -2.967 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -8.786 3.983 -5.947 1.00 0.00 H new ATOM 1537 N PRO A 504 -7.838 -2.385 -2.531 1.00 0.00 N ATOM 1538 CA PRO A 504 -7.695 -3.837 -2.391 1.00 0.00 C ATOM 1539 C PRO A 504 -6.921 -4.458 -3.549 1.00 0.00 C ATOM 1540 O PRO A 504 -7.288 -4.292 -4.712 1.00 0.00 O ATOM 1541 CB PRO A 504 -9.142 -4.337 -2.385 1.00 0.00 C ATOM 1542 CG PRO A 504 -9.906 -3.294 -3.125 1.00 0.00 C ATOM 1543 CD PRO A 504 -9.227 -1.988 -2.819 1.00 0.00 C ATOM 0 HA PRO A 504 -7.133 -4.107 -1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 504 -9.227 -5.309 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 504 -9.516 -4.455 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 504 -9.902 -3.494 -4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 504 -10.949 -3.275 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 504 -9.282 -1.299 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 504 -9.686 -1.486 -1.967 1.00 0.00 H new ATOM 1551 N ILE A 505 -5.851 -5.174 -3.222 1.00 0.00 N ATOM 1552 CA ILE A 505 -5.027 -5.821 -4.236 1.00 0.00 C ATOM 1553 C ILE A 505 -4.679 -7.250 -3.832 1.00 0.00 C ATOM 1554 O ILE A 505 -4.326 -7.514 -2.682 1.00 0.00 O ATOM 1555 CB ILE A 505 -3.724 -5.038 -4.485 1.00 0.00 C ATOM 1556 CG1 ILE A 505 -3.069 -5.497 -5.789 1.00 0.00 C ATOM 1557 CG2 ILE A 505 -2.767 -5.216 -3.315 1.00 0.00 C ATOM 1558 CD1 ILE A 505 -2.148 -4.464 -6.399 1.00 0.00 C ATOM 0 H ILE A 505 -5.534 -5.321 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 505 -5.613 -5.838 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 505 -3.966 -3.979 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 505 -2.504 -6.410 -5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 505 -3.848 -5.748 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 505 -1.851 -4.657 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 505 -3.235 -4.846 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 505 -2.529 -6.273 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 505 -1.719 -4.858 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 505 -2.713 -3.558 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 505 -1.347 -4.231 -5.697 1.00 0.00 H new ATOM 1570 N THR A 506 -4.780 -8.169 -4.787 1.00 0.00 N ATOM 1571 CA THR A 506 -4.476 -9.572 -4.532 1.00 0.00 C ATOM 1572 C THR A 506 -2.996 -9.766 -4.222 1.00 0.00 C ATOM 1573 O THR A 506 -2.142 -9.053 -4.749 1.00 0.00 O ATOM 1574 CB THR A 506 -4.858 -10.457 -5.734 1.00 0.00 C ATOM 1575 OG1 THR A 506 -4.093 -10.078 -6.884 1.00 0.00 O ATOM 1576 CG2 THR A 506 -6.342 -10.336 -6.045 1.00 0.00 C ATOM 0 H THR A 506 -5.070 -7.967 -5.744 1.00 0.00 H new ATOM 0 HA THR A 506 -5.068 -9.872 -3.667 1.00 0.00 H new ATOM 0 HB THR A 506 -4.640 -11.494 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 506 -4.340 -10.646 -7.643 1.00 0.00 H new ATOM 0 HG21 THR A 506 -6.588 -10.970 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 506 -6.922 -10.652 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 506 -6.581 -9.299 -6.283 1.00 0.00 H new ATOM 1584 N LYS A 507 -2.699 -10.736 -3.365 1.00 0.00 N ATOM 1585 CA LYS A 507 -1.321 -11.027 -2.985 1.00 0.00 C ATOM 1586 C LYS A 507 -0.389 -10.907 -4.187 1.00 0.00 C ATOM 1587 O LYS A 507 0.645 -10.242 -4.119 1.00 0.00 O ATOM 1588 CB LYS A 507 -1.221 -12.432 -2.388 1.00 0.00 C ATOM 1589 CG LYS A 507 -0.115 -12.577 -1.356 1.00 0.00 C ATOM 1590 CD LYS A 507 1.255 -12.624 -2.010 1.00 0.00 C ATOM 1591 CE LYS A 507 2.246 -13.418 -1.172 1.00 0.00 C ATOM 1592 NZ LYS A 507 3.640 -12.925 -1.346 1.00 0.00 N ATOM 0 H LYS A 507 -3.394 -11.335 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 507 -1.015 -10.297 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -2.174 -12.690 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -1.052 -13.148 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -0.157 -11.742 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -0.274 -13.486 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 507 1.172 -13.073 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 507 1.627 -11.609 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 507 1.966 -13.353 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 507 2.196 -14.471 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 4.168 -13.057 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 4.104 -13.459 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 3.623 -11.915 -1.592 1.00 0.00 H new ATOM 1606 N LYS A 508 -0.762 -11.553 -5.286 1.00 0.00 N ATOM 1607 CA LYS A 508 0.039 -11.516 -6.505 1.00 0.00 C ATOM 1608 C LYS A 508 0.208 -10.084 -7.001 1.00 0.00 C ATOM 1609 O LYS A 508 1.324 -9.632 -7.253 1.00 0.00 O ATOM 1610 CB LYS A 508 -0.613 -12.371 -7.594 1.00 0.00 C ATOM 1611 CG LYS A 508 0.371 -12.899 -8.623 1.00 0.00 C ATOM 1612 CD LYS A 508 1.137 -14.101 -8.097 1.00 0.00 C ATOM 1613 CE LYS A 508 0.212 -15.278 -7.830 1.00 0.00 C ATOM 1614 NZ LYS A 508 -0.317 -15.263 -6.438 1.00 0.00 N ATOM 0 H LYS A 508 -1.614 -12.109 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 508 1.025 -11.921 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -1.123 -13.213 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -1.374 -11.779 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -0.165 -13.177 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 508 1.072 -12.110 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 508 1.899 -14.393 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 508 1.656 -13.829 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -0.619 -15.254 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 508 0.750 -16.210 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 0.055 -16.082 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -0.020 -14.386 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -1.356 -15.310 -6.461 1.00 0.00 H new ATOM 1628 N GLY A 509 -0.908 -9.374 -7.139 1.00 0.00 N ATOM 1629 CA GLY A 509 -0.860 -8.000 -7.604 1.00 0.00 C ATOM 1630 C GLY A 509 0.012 -7.122 -6.729 1.00 0.00 C ATOM 1631 O GLY A 509 0.648 -6.187 -7.214 1.00 0.00 O ATOM 0 H GLY A 509 -1.844 -9.726 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 509 -0.482 -7.979 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 509 -1.871 -7.593 -7.629 1.00 0.00 H new ATOM 1635 N MET A 510 0.041 -7.422 -5.434 1.00 0.00 N ATOM 1636 CA MET A 510 0.841 -6.651 -4.489 1.00 0.00 C ATOM 1637 C MET A 510 2.329 -6.794 -4.794 1.00 0.00 C ATOM 1638 O MET A 510 3.077 -5.816 -4.762 1.00 0.00 O ATOM 1639 CB MET A 510 0.556 -7.107 -3.057 1.00 0.00 C ATOM 1640 CG MET A 510 1.316 -6.315 -2.005 1.00 0.00 C ATOM 1641 SD MET A 510 1.336 -7.134 -0.399 1.00 0.00 S ATOM 1642 CE MET A 510 2.244 -8.627 -0.792 1.00 0.00 C ATOM 0 H MET A 510 -0.480 -8.193 -5.016 1.00 0.00 H new ATOM 0 HA MET A 510 0.567 -5.601 -4.590 1.00 0.00 H new ATOM 0 HB2 MET A 510 -0.513 -7.021 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 510 0.813 -8.162 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 510 2.341 -6.160 -2.342 1.00 0.00 H new ATOM 0 HG3 MET A 510 0.863 -5.329 -1.900 1.00 0.00 H new ATOM 0 HE1 MET A 510 2.750 -8.991 0.102 1.00 0.00 H new ATOM 0 HE2 MET A 510 1.553 -9.388 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 510 2.983 -8.411 -1.564 1.00 0.00 H new ATOM 1652 N LEU A 511 2.753 -8.018 -5.089 1.00 0.00 N ATOM 1653 CA LEU A 511 4.152 -8.289 -5.400 1.00 0.00 C ATOM 1654 C LEU A 511 4.533 -7.702 -6.755 1.00 0.00 C ATOM 1655 O LEU A 511 5.657 -7.239 -6.947 1.00 0.00 O ATOM 1656 CB LEU A 511 4.414 -9.796 -5.393 1.00 0.00 C ATOM 1657 CG LEU A 511 4.148 -10.518 -4.071 1.00 0.00 C ATOM 1658 CD1 LEU A 511 3.965 -12.009 -4.304 1.00 0.00 C ATOM 1659 CD2 LEU A 511 5.282 -10.265 -3.088 1.00 0.00 C ATOM 0 H LEU A 511 2.148 -8.839 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 511 4.766 -7.816 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.797 -10.255 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.454 -9.965 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 511 3.227 -10.123 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 511 3.777 -12.506 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.119 -12.172 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 511 4.868 -12.420 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 511 5.076 -10.786 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 511 6.218 -10.632 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 511 5.365 -9.195 -2.896 1.00 0.00 H new ATOM 1671 N GLU A 512 3.588 -7.722 -7.690 1.00 0.00 N ATOM 1672 CA GLU A 512 3.825 -7.190 -9.026 1.00 0.00 C ATOM 1673 C GLU A 512 4.571 -5.860 -8.958 1.00 0.00 C ATOM 1674 O GLU A 512 5.543 -5.642 -9.682 1.00 0.00 O ATOM 1675 CB GLU A 512 2.500 -7.006 -9.769 1.00 0.00 C ATOM 1676 CG GLU A 512 2.032 -8.255 -10.497 1.00 0.00 C ATOM 1677 CD GLU A 512 2.770 -8.479 -11.803 1.00 0.00 C ATOM 1678 OE1 GLU A 512 2.754 -7.568 -12.656 1.00 0.00 O ATOM 1679 OE2 GLU A 512 3.361 -9.566 -11.972 1.00 0.00 O ATOM 0 H GLU A 512 2.652 -8.101 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 512 4.442 -7.906 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 512 1.733 -6.702 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 512 2.606 -6.194 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 512 2.172 -9.122 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 512 0.963 -8.176 -10.697 1.00 0.00 H new ATOM 1686 N LYS A 513 4.109 -4.974 -8.083 1.00 0.00 N ATOM 1687 CA LYS A 513 4.731 -3.666 -7.917 1.00 0.00 C ATOM 1688 C LYS A 513 6.102 -3.794 -7.260 1.00 0.00 C ATOM 1689 O LYS A 513 7.112 -3.372 -7.824 1.00 0.00 O ATOM 1690 CB LYS A 513 3.834 -2.754 -7.077 1.00 0.00 C ATOM 1691 CG LYS A 513 2.639 -2.207 -7.838 1.00 0.00 C ATOM 1692 CD LYS A 513 1.446 -3.145 -7.752 1.00 0.00 C ATOM 1693 CE LYS A 513 0.241 -2.582 -8.490 1.00 0.00 C ATOM 1694 NZ LYS A 513 -0.297 -1.364 -7.824 1.00 0.00 N ATOM 0 H LYS A 513 3.305 -5.138 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 513 4.861 -3.226 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 513 3.478 -3.308 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 513 4.428 -1.920 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 513 2.366 -1.232 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 513 2.910 -2.056 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.712 -4.114 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 513 1.188 -3.313 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 513 0.523 -2.341 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 513 -0.539 -3.341 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -1.334 -1.353 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 -0.029 -1.371 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 0.096 -0.516 -8.281 1.00 0.00 H new ATOM 1708 N ILE A 514 6.129 -4.379 -6.068 1.00 0.00 N ATOM 1709 CA ILE A 514 7.376 -4.564 -5.336 1.00 0.00 C ATOM 1710 C ILE A 514 8.506 -4.978 -6.273 1.00 0.00 C ATOM 1711 O ILE A 514 9.674 -4.683 -6.020 1.00 0.00 O ATOM 1712 CB ILE A 514 7.227 -5.625 -4.229 1.00 0.00 C ATOM 1713 CG1 ILE A 514 6.148 -5.203 -3.230 1.00 0.00 C ATOM 1714 CG2 ILE A 514 8.556 -5.842 -3.522 1.00 0.00 C ATOM 1715 CD1 ILE A 514 5.619 -6.346 -2.394 1.00 0.00 C ATOM 0 H ILE A 514 5.302 -4.733 -5.588 1.00 0.00 H new ATOM 0 HA ILE A 514 7.619 -3.605 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 514 6.923 -6.567 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 514 6.556 -4.438 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 514 5.320 -4.747 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 514 8.435 -6.594 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 514 9.300 -6.182 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 514 8.887 -4.905 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 514 4.858 -5.974 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 514 5.181 -7.102 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 514 6.436 -6.788 -1.824 1.00 0.00 H new ATOM 1727 N ASP A 515 8.150 -5.661 -7.355 1.00 0.00 N ATOM 1728 CA ASP A 515 9.134 -6.113 -8.332 1.00 0.00 C ATOM 1729 C ASP A 515 9.688 -4.937 -9.129 1.00 0.00 C ATOM 1730 O ASP A 515 10.902 -4.771 -9.245 1.00 0.00 O ATOM 1731 CB ASP A 515 8.509 -7.138 -9.280 1.00 0.00 C ATOM 1732 CG ASP A 515 9.528 -8.119 -9.825 1.00 0.00 C ATOM 1733 OD1 ASP A 515 10.332 -8.645 -9.027 1.00 0.00 O ATOM 1734 OD2 ASP A 515 9.522 -8.361 -11.050 1.00 0.00 O ATOM 0 H ASP A 515 7.187 -5.914 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 515 9.956 -6.583 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 515 7.727 -7.686 -8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 515 8.031 -6.617 -10.109 1.00 0.00 H new ATOM 1739 N MET A 516 8.791 -4.124 -9.677 1.00 0.00 N ATOM 1740 CA MET A 516 9.191 -2.963 -10.463 1.00 0.00 C ATOM 1741 C MET A 516 9.995 -1.982 -9.614 1.00 0.00 C ATOM 1742 O MET A 516 10.853 -1.263 -10.126 1.00 0.00 O ATOM 1743 CB MET A 516 7.960 -2.264 -11.043 1.00 0.00 C ATOM 1744 CG MET A 516 7.159 -1.489 -10.010 1.00 0.00 C ATOM 1745 SD MET A 516 6.239 -0.115 -10.731 1.00 0.00 S ATOM 1746 CE MET A 516 4.576 -0.780 -10.724 1.00 0.00 C ATOM 0 H MET A 516 7.782 -4.248 -9.591 1.00 0.00 H new ATOM 0 HA MET A 516 9.822 -3.310 -11.281 1.00 0.00 H new ATOM 0 HB2 MET A 516 8.277 -1.582 -11.831 1.00 0.00 H new ATOM 0 HB3 MET A 516 7.314 -3.009 -11.507 1.00 0.00 H new ATOM 0 HG2 MET A 516 6.464 -2.166 -9.513 1.00 0.00 H new ATOM 0 HG3 MET A 516 7.834 -1.107 -9.244 1.00 0.00 H new ATOM 0 HE1 MET A 516 4.045 -0.440 -11.613 1.00 0.00 H new ATOM 0 HE2 MET A 516 4.620 -1.869 -10.721 1.00 0.00 H new ATOM 0 HE3 MET A 516 4.050 -0.436 -9.833 1.00 0.00 H new ATOM 1756 N ILE A 517 9.710 -1.959 -8.316 1.00 0.00 N ATOM 1757 CA ILE A 517 10.407 -1.067 -7.398 1.00 0.00 C ATOM 1758 C ILE A 517 11.840 -1.533 -7.160 1.00 0.00 C ATOM 1759 O ILE A 517 12.773 -0.731 -7.165 1.00 0.00 O ATOM 1760 CB ILE A 517 9.679 -0.972 -6.044 1.00 0.00 C ATOM 1761 CG1 ILE A 517 8.305 -0.324 -6.224 1.00 0.00 C ATOM 1762 CG2 ILE A 517 10.515 -0.184 -5.047 1.00 0.00 C ATOM 1763 CD1 ILE A 517 7.315 -0.697 -5.143 1.00 0.00 C ATOM 0 H ILE A 517 9.002 -2.547 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 517 10.420 -0.082 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 517 9.537 -1.980 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 517 8.422 0.760 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 517 7.899 -0.615 -7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 517 9.987 -0.126 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 517 11.473 -0.683 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 517 10.685 0.822 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 517 6.363 -0.202 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 517 7.168 -1.777 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 517 7.699 -0.381 -4.173 1.00 0.00 H new ATOM 1775 N ARG A 518 12.006 -2.836 -6.954 1.00 0.00 N ATOM 1776 CA ARG A 518 13.325 -3.409 -6.715 1.00 0.00 C ATOM 1777 C ARG A 518 14.327 -2.921 -7.757 1.00 0.00 C ATOM 1778 O ARG A 518 15.415 -2.455 -7.418 1.00 0.00 O ATOM 1779 CB ARG A 518 13.252 -4.937 -6.738 1.00 0.00 C ATOM 1780 CG ARG A 518 12.806 -5.546 -5.419 1.00 0.00 C ATOM 1781 CD ARG A 518 12.586 -7.045 -5.543 1.00 0.00 C ATOM 1782 NE ARG A 518 13.843 -7.770 -5.712 1.00 0.00 N ATOM 1783 CZ ARG A 518 13.927 -9.095 -5.752 1.00 0.00 C ATOM 1784 NH1 ARG A 518 12.833 -9.836 -5.636 1.00 0.00 N ATOM 1785 NH2 ARG A 518 15.107 -9.682 -5.909 1.00 0.00 N ATOM 0 H ARG A 518 11.244 -3.514 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 518 13.663 -3.083 -5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 518 12.563 -5.247 -7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 518 14.233 -5.335 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 518 13.557 -5.350 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 518 11.883 -5.068 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 518 12.073 -7.411 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 518 11.934 -7.247 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 518 14.703 -7.229 -5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 518 11.924 -9.389 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 518 12.900 -10.853 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 518 15.950 -9.116 -5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 518 15.170 -10.700 -5.940 1.00 0.00 H new