USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=18 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 -121:sc= -0.484 USER MOD Set 1.2: A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 510 MET CE :methyl 157:sc= -0.188 (180deg=-0.656) USER MOD Single : A 433 TYR OH : rot 130:sc= -0.957 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 HIS : no HD1:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 451 LYS NZ :NH3+ -135:sc= 0.416 (180deg=0.00269) USER MOD Single : A 452 LYS NZ :NH3+ 158:sc= -0.0898 (180deg=-0.431) USER MOD Single : A 459 SER OG : rot -48:sc= 0.00538 USER MOD Single : A 461 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 464 TYR OH : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= -0.097 K(o=-0.097,f=-0.89) USER MOD Single : A 469 LYS NZ :NH3+ 158:sc= 0.637 (180deg=0.372) USER MOD Single : A 471 THR OG1 : rot 180:sc= 0 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+ -136:sc= -0.105 (180deg=-0.297) USER MOD Single : A 489 CYS SG : rot 180:sc= 0 USER MOD Single : A 491 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-2.9!) USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.29) USER MOD Single : A 494 TYR OH : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 150:sc= -2.2 (180deg=-3.14!) USER MOD Single : A 497 ASN : amide:sc= -1.01! C(o=-1!,f=-1!) USER MOD Single : A 501 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 503 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.057) USER MOD Single : A 506 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 508 LYS NZ :NH3+ -110:sc= -1.45! (180deg=-3.59!) USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 MET CE :methyl -128:sc= 0 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 332 N GLY A 429 -4.046 -14.039 -0.987 1.00 0.00 N ATOM 333 CA GLY A 429 -4.397 -13.697 0.379 1.00 0.00 C ATOM 334 C GLY A 429 -5.043 -12.330 0.487 1.00 0.00 C ATOM 335 O GLY A 429 -5.671 -11.856 -0.461 1.00 0.00 O ATOM 0 HA2 GLY A 429 -5.079 -14.450 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 429 -3.500 -13.722 0.998 1.00 0.00 H new ATOM 339 N PHE A 430 -4.892 -11.695 1.644 1.00 0.00 N ATOM 340 CA PHE A 430 -5.468 -10.375 1.873 1.00 0.00 C ATOM 341 C PHE A 430 -4.378 -9.309 1.937 1.00 0.00 C ATOM 342 O PHE A 430 -3.567 -9.290 2.863 1.00 0.00 O ATOM 343 CB PHE A 430 -6.281 -10.368 3.170 1.00 0.00 C ATOM 344 CG PHE A 430 -7.332 -11.439 3.224 1.00 0.00 C ATOM 345 CD1 PHE A 430 -8.502 -11.317 2.492 1.00 0.00 C ATOM 346 CD2 PHE A 430 -7.150 -12.568 4.006 1.00 0.00 C ATOM 347 CE1 PHE A 430 -9.472 -12.301 2.541 1.00 0.00 C ATOM 348 CE2 PHE A 430 -8.116 -13.555 4.059 1.00 0.00 C ATOM 349 CZ PHE A 430 -9.278 -13.422 3.325 1.00 0.00 C ATOM 0 H PHE A 430 -4.375 -12.073 2.438 1.00 0.00 H new ATOM 0 HA PHE A 430 -6.128 -10.144 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -5.603 -10.492 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -6.759 -9.395 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -8.658 -10.444 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -6.242 -12.678 4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -10.380 -12.193 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -7.962 -14.429 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 430 -10.034 -14.193 3.364 1.00 0.00 H new ATOM 359 N CYS A 431 -4.365 -8.425 0.946 1.00 0.00 N ATOM 360 CA CYS A 431 -3.374 -7.356 0.888 1.00 0.00 C ATOM 361 C CYS A 431 -4.043 -6.008 0.640 1.00 0.00 C ATOM 362 O CYS A 431 -5.202 -5.943 0.230 1.00 0.00 O ATOM 363 CB CYS A 431 -2.351 -7.641 -0.213 1.00 0.00 C ATOM 364 SG CYS A 431 -1.147 -8.921 0.213 1.00 0.00 S ATOM 0 H CYS A 431 -5.029 -8.427 0.172 1.00 0.00 H new ATOM 0 HA CYS A 431 -2.862 -7.316 1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 431 -2.880 -7.941 -1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 431 -1.818 -6.719 -0.447 1.00 0.00 H new ATOM 0 HG CYS A 431 0.053 -8.426 0.149 1.00 0.00 H new ATOM 370 N VAL A 432 -3.305 -4.932 0.894 1.00 0.00 N ATOM 371 CA VAL A 432 -3.826 -3.584 0.700 1.00 0.00 C ATOM 372 C VAL A 432 -2.782 -2.679 0.055 1.00 0.00 C ATOM 373 O VAL A 432 -1.603 -2.726 0.405 1.00 0.00 O ATOM 374 CB VAL A 432 -4.278 -2.959 2.033 1.00 0.00 C ATOM 375 CG1 VAL A 432 -5.656 -3.472 2.423 1.00 0.00 C ATOM 376 CG2 VAL A 432 -3.262 -3.249 3.128 1.00 0.00 C ATOM 0 H VAL A 432 -2.344 -4.968 1.235 1.00 0.00 H new ATOM 0 HA VAL A 432 -4.687 -3.670 0.038 1.00 0.00 H new ATOM 0 HB VAL A 432 -4.342 -1.878 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -5.959 -3.020 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -6.375 -3.209 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -5.623 -4.556 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -3.597 -2.800 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.164 -4.327 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -2.296 -2.828 2.849 1.00 0.00 H new ATOM 386 N TYR A 433 -3.224 -1.855 -0.889 1.00 0.00 N ATOM 387 CA TYR A 433 -2.328 -0.939 -1.585 1.00 0.00 C ATOM 388 C TYR A 433 -2.528 0.493 -1.099 1.00 0.00 C ATOM 389 O TYR A 433 -3.601 1.074 -1.266 1.00 0.00 O ATOM 390 CB TYR A 433 -2.559 -1.015 -3.095 1.00 0.00 C ATOM 391 CG TYR A 433 -1.653 -0.105 -3.893 1.00 0.00 C ATOM 392 CD1 TYR A 433 -0.473 0.386 -3.346 1.00 0.00 C ATOM 393 CD2 TYR A 433 -1.975 0.264 -5.193 1.00 0.00 C ATOM 394 CE1 TYR A 433 0.358 1.218 -4.071 1.00 0.00 C ATOM 395 CE2 TYR A 433 -1.150 1.094 -5.925 1.00 0.00 C ATOM 396 CZ TYR A 433 0.016 1.568 -5.360 1.00 0.00 C ATOM 397 OH TYR A 433 0.840 2.397 -6.086 1.00 0.00 O ATOM 0 H TYR A 433 -4.197 -1.803 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 433 -1.303 -1.237 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 433 -2.410 -2.043 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 433 -3.597 -0.759 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 433 -0.201 0.112 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 433 -2.887 -0.105 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 433 1.270 1.592 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 433 -1.416 1.371 -6.935 1.00 0.00 H new ATOM 0 HH TYR A 433 1.013 1.999 -6.964 1.00 0.00 H new ATOM 407 N LEU A 434 -1.486 1.058 -0.498 1.00 0.00 N ATOM 408 CA LEU A 434 -1.545 2.423 0.012 1.00 0.00 C ATOM 409 C LEU A 434 -0.785 3.379 -0.902 1.00 0.00 C ATOM 410 O LEU A 434 0.372 3.138 -1.247 1.00 0.00 O ATOM 411 CB LEU A 434 -0.968 2.485 1.427 1.00 0.00 C ATOM 412 CG LEU A 434 -1.805 1.825 2.523 1.00 0.00 C ATOM 413 CD1 LEU A 434 -0.944 1.512 3.737 1.00 0.00 C ATOM 414 CD2 LEU A 434 -2.974 2.719 2.912 1.00 0.00 C ATOM 0 H LEU A 434 -0.591 0.592 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 434 -2.591 2.730 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 434 0.016 2.016 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 434 -0.820 3.532 1.692 1.00 0.00 H new ATOM 0 HG LEU A 434 -2.203 0.888 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 434 -1.557 1.043 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 434 -0.141 0.833 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 434 -0.516 2.435 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 434 -3.559 2.234 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 434 -2.596 3.672 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 434 -3.605 2.892 2.041 1.00 0.00 H new ATOM 426 N LYS A 435 -1.443 4.466 -1.290 1.00 0.00 N ATOM 427 CA LYS A 435 -0.829 5.462 -2.161 1.00 0.00 C ATOM 428 C LYS A 435 -0.939 6.857 -1.555 1.00 0.00 C ATOM 429 O LYS A 435 -2.018 7.284 -1.146 1.00 0.00 O ATOM 430 CB LYS A 435 -1.492 5.440 -3.541 1.00 0.00 C ATOM 431 CG LYS A 435 -1.432 4.084 -4.223 1.00 0.00 C ATOM 432 CD LYS A 435 -2.169 4.096 -5.552 1.00 0.00 C ATOM 433 CE LYS A 435 -1.250 4.497 -6.695 1.00 0.00 C ATOM 434 NZ LYS A 435 -1.994 5.174 -7.794 1.00 0.00 N ATOM 0 H LYS A 435 -2.402 4.680 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 435 0.227 5.214 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -2.535 5.740 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.009 6.180 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -0.391 3.803 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -1.868 3.328 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.585 3.108 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.008 4.790 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -0.472 5.162 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -0.750 3.611 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -1.332 5.432 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.719 4.531 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -2.450 6.033 -7.426 1.00 0.00 H new ATOM 448 N GLY A 436 0.186 7.565 -1.502 1.00 0.00 N ATOM 449 CA GLY A 436 0.193 8.905 -0.945 1.00 0.00 C ATOM 450 C GLY A 436 1.128 9.034 0.242 1.00 0.00 C ATOM 451 O GLY A 436 1.351 10.135 0.748 1.00 0.00 O ATOM 0 H GLY A 436 1.092 7.234 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 436 0.491 9.615 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -0.818 9.173 -0.638 1.00 0.00 H new ATOM 455 N LEU A 437 1.674 7.909 0.688 1.00 0.00 N ATOM 456 CA LEU A 437 2.589 7.901 1.824 1.00 0.00 C ATOM 457 C LEU A 437 3.578 9.059 1.736 1.00 0.00 C ATOM 458 O LEU A 437 3.911 9.542 0.653 1.00 0.00 O ATOM 459 CB LEU A 437 3.346 6.573 1.885 1.00 0.00 C ATOM 460 CG LEU A 437 2.544 5.365 2.369 1.00 0.00 C ATOM 461 CD1 LEU A 437 3.313 4.077 2.116 1.00 0.00 C ATOM 462 CD2 LEU A 437 2.208 5.505 3.847 1.00 0.00 C ATOM 0 H LEU A 437 1.499 6.990 0.281 1.00 0.00 H new ATOM 0 HA LEU A 437 2.000 8.019 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 437 3.733 6.352 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 437 4.207 6.699 2.541 1.00 0.00 H new ATOM 0 HG LEU A 437 1.611 5.324 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.726 3.228 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.503 3.970 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 437 4.262 4.109 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.637 4.636 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.130 5.572 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 437 1.616 6.407 4.002 1.00 0.00 H new ATOM 474 N PRO A 438 4.060 9.515 2.901 1.00 0.00 N ATOM 475 CA PRO A 438 5.020 10.620 2.982 1.00 0.00 C ATOM 476 C PRO A 438 6.396 10.233 2.451 1.00 0.00 C ATOM 477 O PRO A 438 6.656 9.064 2.165 1.00 0.00 O ATOM 478 CB PRO A 438 5.091 10.920 4.481 1.00 0.00 C ATOM 479 CG PRO A 438 4.708 9.641 5.142 1.00 0.00 C ATOM 480 CD PRO A 438 3.707 8.987 4.229 1.00 0.00 C ATOM 0 HA PRO A 438 4.711 11.472 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 438 6.093 11.233 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 438 4.411 11.727 4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 438 5.578 9.002 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 438 4.277 9.824 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.783 7.900 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 438 2.684 9.244 4.505 1.00 0.00 H new ATOM 488 N PHE A 439 7.275 11.222 2.321 1.00 0.00 N ATOM 489 CA PHE A 439 8.625 10.984 1.824 1.00 0.00 C ATOM 490 C PHE A 439 9.459 10.230 2.854 1.00 0.00 C ATOM 491 O PHE A 439 10.325 9.430 2.501 1.00 0.00 O ATOM 492 CB PHE A 439 9.303 12.311 1.474 1.00 0.00 C ATOM 493 CG PHE A 439 8.796 12.926 0.201 1.00 0.00 C ATOM 494 CD1 PHE A 439 7.578 13.587 0.172 1.00 0.00 C ATOM 495 CD2 PHE A 439 9.536 12.842 -0.967 1.00 0.00 C ATOM 496 CE1 PHE A 439 7.109 14.154 -0.998 1.00 0.00 C ATOM 497 CE2 PHE A 439 9.072 13.408 -2.140 1.00 0.00 C ATOM 498 CZ PHE A 439 7.857 14.064 -2.155 1.00 0.00 C ATOM 0 H PHE A 439 7.076 12.195 2.553 1.00 0.00 H new ATOM 0 HA PHE A 439 8.552 10.372 0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 439 9.152 13.014 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 439 10.377 12.149 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 439 6.989 13.660 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 439 10.486 12.329 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 439 6.159 14.667 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 439 9.659 13.337 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 439 7.492 14.506 -3.070 1.00 0.00 H new ATOM 508 N GLU A 440 9.192 10.492 4.130 1.00 0.00 N ATOM 509 CA GLU A 440 9.919 9.839 5.212 1.00 0.00 C ATOM 510 C GLU A 440 9.108 8.685 5.794 1.00 0.00 C ATOM 511 O GLU A 440 9.342 8.256 6.923 1.00 0.00 O ATOM 512 CB GLU A 440 10.254 10.848 6.313 1.00 0.00 C ATOM 513 CG GLU A 440 11.227 11.929 5.872 1.00 0.00 C ATOM 514 CD GLU A 440 12.662 11.440 5.828 1.00 0.00 C ATOM 515 OE1 GLU A 440 13.193 11.062 6.893 1.00 0.00 O ATOM 516 OE2 GLU A 440 13.252 11.435 4.727 1.00 0.00 O ATOM 0 H GLU A 440 8.478 11.152 4.439 1.00 0.00 H new ATOM 0 HA GLU A 440 10.846 9.438 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 440 9.332 11.318 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 440 10.677 10.316 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 440 10.940 12.290 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 440 11.157 12.776 6.554 1.00 0.00 H new ATOM 523 N ALA A 441 8.153 8.188 5.014 1.00 0.00 N ATOM 524 CA ALA A 441 7.308 7.084 5.451 1.00 0.00 C ATOM 525 C ALA A 441 8.133 5.996 6.129 1.00 0.00 C ATOM 526 O ALA A 441 9.321 5.840 5.848 1.00 0.00 O ATOM 527 CB ALA A 441 6.540 6.509 4.270 1.00 0.00 C ATOM 0 H ALA A 441 7.946 8.533 4.077 1.00 0.00 H new ATOM 0 HA ALA A 441 6.596 7.470 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 441 5.913 5.685 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 441 5.913 7.285 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 441 7.243 6.144 3.521 1.00 0.00 H new ATOM 533 N GLU A 442 7.496 5.247 7.023 1.00 0.00 N ATOM 534 CA GLU A 442 8.173 4.174 7.742 1.00 0.00 C ATOM 535 C GLU A 442 7.175 3.119 8.211 1.00 0.00 C ATOM 536 O GLU A 442 6.007 3.418 8.451 1.00 0.00 O ATOM 537 CB GLU A 442 8.938 4.737 8.941 1.00 0.00 C ATOM 538 CG GLU A 442 10.228 5.445 8.563 1.00 0.00 C ATOM 539 CD GLU A 442 11.089 5.773 9.767 1.00 0.00 C ATOM 540 OE1 GLU A 442 10.906 6.862 10.349 1.00 0.00 O ATOM 541 OE2 GLU A 442 11.946 4.939 10.128 1.00 0.00 O ATOM 0 H GLU A 442 6.512 5.363 7.267 1.00 0.00 H new ATOM 0 HA GLU A 442 8.879 3.703 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 442 8.294 5.435 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 442 9.168 3.923 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 442 10.795 4.816 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 442 9.990 6.365 8.030 1.00 0.00 H new ATOM 548 N ASN A 443 7.647 1.883 8.339 1.00 0.00 N ATOM 549 CA ASN A 443 6.797 0.782 8.778 1.00 0.00 C ATOM 550 C ASN A 443 5.807 1.250 9.840 1.00 0.00 C ATOM 551 O ASN A 443 4.656 0.813 9.868 1.00 0.00 O ATOM 552 CB ASN A 443 7.651 -0.361 9.329 1.00 0.00 C ATOM 553 CG ASN A 443 8.836 -0.680 8.437 1.00 0.00 C ATOM 554 OD1 ASN A 443 9.989 -0.527 8.840 1.00 0.00 O ATOM 555 ND2 ASN A 443 8.556 -1.124 7.218 1.00 0.00 N ATOM 0 H ASN A 443 8.613 1.619 8.145 1.00 0.00 H new ATOM 0 HA ASN A 443 6.235 0.423 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 443 8.009 -0.096 10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 443 7.033 -1.252 9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 443 9.312 -1.354 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 443 7.585 -1.236 6.926 1.00 0.00 H new ATOM 562 N LYS A 444 6.262 2.141 10.713 1.00 0.00 N ATOM 563 CA LYS A 444 5.418 2.671 11.778 1.00 0.00 C ATOM 564 C LYS A 444 4.195 3.378 11.201 1.00 0.00 C ATOM 565 O LYS A 444 3.067 3.141 11.634 1.00 0.00 O ATOM 566 CB LYS A 444 6.214 3.641 12.654 1.00 0.00 C ATOM 567 CG LYS A 444 6.699 4.874 11.911 1.00 0.00 C ATOM 568 CD LYS A 444 7.488 5.799 12.823 1.00 0.00 C ATOM 569 CE LYS A 444 8.965 5.434 12.842 1.00 0.00 C ATOM 570 NZ LYS A 444 9.671 6.045 14.003 1.00 0.00 N ATOM 0 H LYS A 444 7.212 2.512 10.705 1.00 0.00 H new ATOM 0 HA LYS A 444 5.079 1.834 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 444 5.592 3.954 13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 444 7.074 3.118 13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 444 7.323 4.571 11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.845 5.410 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 444 7.371 6.830 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 444 7.085 5.745 13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 444 9.071 4.350 12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 444 9.434 5.766 11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 10.675 5.773 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 9.591 7.081 13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 9.240 5.708 14.888 1.00 0.00 H new ATOM 584 N HIS A 445 4.426 4.246 10.221 1.00 0.00 N ATOM 585 CA HIS A 445 3.343 4.986 9.583 1.00 0.00 C ATOM 586 C HIS A 445 2.285 4.033 9.033 1.00 0.00 C ATOM 587 O HIS A 445 1.088 4.228 9.247 1.00 0.00 O ATOM 588 CB HIS A 445 3.890 5.864 8.458 1.00 0.00 C ATOM 589 CG HIS A 445 4.623 7.076 8.946 1.00 0.00 C ATOM 590 ND1 HIS A 445 5.983 7.092 9.170 1.00 0.00 N ATOM 591 CD2 HIS A 445 4.177 8.316 9.252 1.00 0.00 C ATOM 592 CE1 HIS A 445 6.342 8.291 9.594 1.00 0.00 C ATOM 593 NE2 HIS A 445 5.265 9.053 9.653 1.00 0.00 N ATOM 0 H HIS A 445 5.354 4.454 9.851 1.00 0.00 H new ATOM 0 HA HIS A 445 2.878 5.622 10.336 1.00 0.00 H new ATOM 0 HB2 HIS A 445 4.561 5.269 7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 445 3.064 6.181 7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 445 3.156 8.662 9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 445 7.346 8.596 9.849 1.00 0.00 H new ATOM 0 HE2 HIS A 445 5.244 10.029 9.948 1.00 0.00 H new ATOM 602 N VAL A 446 2.735 3.003 8.323 1.00 0.00 N ATOM 603 CA VAL A 446 1.827 2.021 7.743 1.00 0.00 C ATOM 604 C VAL A 446 0.959 1.374 8.815 1.00 0.00 C ATOM 605 O VAL A 446 -0.208 1.060 8.578 1.00 0.00 O ATOM 606 CB VAL A 446 2.599 0.921 6.990 1.00 0.00 C ATOM 607 CG1 VAL A 446 1.636 0.006 6.248 1.00 0.00 C ATOM 608 CG2 VAL A 446 3.606 1.538 6.031 1.00 0.00 C ATOM 0 H VAL A 446 3.722 2.827 8.136 1.00 0.00 H new ATOM 0 HA VAL A 446 1.190 2.556 7.039 1.00 0.00 H new ATOM 0 HB VAL A 446 3.145 0.321 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 446 2.199 -0.765 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 446 0.957 -0.463 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 446 1.061 0.589 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 446 4.142 0.746 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 446 3.083 2.162 5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 446 4.315 2.148 6.591 1.00 0.00 H new ATOM 618 N ILE A 447 1.535 1.176 9.996 1.00 0.00 N ATOM 619 CA ILE A 447 0.813 0.568 11.106 1.00 0.00 C ATOM 620 C ILE A 447 -0.148 1.563 11.749 1.00 0.00 C ATOM 621 O ILE A 447 -1.298 1.233 12.039 1.00 0.00 O ATOM 622 CB ILE A 447 1.778 0.036 12.182 1.00 0.00 C ATOM 623 CG1 ILE A 447 2.745 -0.981 11.572 1.00 0.00 C ATOM 624 CG2 ILE A 447 0.999 -0.589 13.330 1.00 0.00 C ATOM 625 CD1 ILE A 447 4.017 -1.159 12.371 1.00 0.00 C ATOM 0 H ILE A 447 2.500 1.428 10.208 1.00 0.00 H new ATOM 0 HA ILE A 447 0.246 -0.266 10.693 1.00 0.00 H new ATOM 0 HB ILE A 447 2.358 0.871 12.574 1.00 0.00 H new ATOM 0 HG12 ILE A 447 2.241 -1.944 11.487 1.00 0.00 H new ATOM 0 HG13 ILE A 447 3.002 -0.665 10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 447 1.695 -0.960 14.082 1.00 0.00 H new ATOM 0 HG22 ILE A 447 0.347 0.161 13.778 1.00 0.00 H new ATOM 0 HG23 ILE A 447 0.397 -1.416 12.953 1.00 0.00 H new ATOM 0 HD11 ILE A 447 4.655 -1.894 11.880 1.00 0.00 H new ATOM 0 HD12 ILE A 447 4.543 -0.206 12.434 1.00 0.00 H new ATOM 0 HD13 ILE A 447 3.771 -1.505 13.375 1.00 0.00 H new ATOM 637 N ASP A 448 0.331 2.783 11.966 1.00 0.00 N ATOM 638 CA ASP A 448 -0.486 3.828 12.572 1.00 0.00 C ATOM 639 C ASP A 448 -1.759 4.058 11.764 1.00 0.00 C ATOM 640 O ASP A 448 -2.748 4.580 12.281 1.00 0.00 O ATOM 641 CB ASP A 448 0.310 5.131 12.675 1.00 0.00 C ATOM 642 CG ASP A 448 -0.478 6.238 13.347 1.00 0.00 C ATOM 643 OD1 ASP A 448 -0.624 6.195 14.587 1.00 0.00 O ATOM 644 OD2 ASP A 448 -0.949 7.148 12.633 1.00 0.00 O ATOM 0 H ASP A 448 1.280 3.073 11.731 1.00 0.00 H new ATOM 0 HA ASP A 448 -0.766 3.502 13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 448 1.227 4.950 13.235 1.00 0.00 H new ATOM 0 HB3 ASP A 448 0.605 5.453 11.676 1.00 0.00 H new ATOM 649 N PHE A 449 -1.728 3.667 10.495 1.00 0.00 N ATOM 650 CA PHE A 449 -2.880 3.833 9.615 1.00 0.00 C ATOM 651 C PHE A 449 -3.904 2.726 9.847 1.00 0.00 C ATOM 652 O PHE A 449 -5.089 2.994 10.050 1.00 0.00 O ATOM 653 CB PHE A 449 -2.434 3.832 8.151 1.00 0.00 C ATOM 654 CG PHE A 449 -3.527 4.209 7.192 1.00 0.00 C ATOM 655 CD1 PHE A 449 -3.750 5.536 6.862 1.00 0.00 C ATOM 656 CD2 PHE A 449 -4.330 3.235 6.620 1.00 0.00 C ATOM 657 CE1 PHE A 449 -4.756 5.885 5.981 1.00 0.00 C ATOM 658 CE2 PHE A 449 -5.337 3.578 5.737 1.00 0.00 C ATOM 659 CZ PHE A 449 -5.549 4.905 5.416 1.00 0.00 C ATOM 0 H PHE A 449 -0.918 3.233 10.052 1.00 0.00 H new ATOM 0 HA PHE A 449 -3.347 4.791 9.845 1.00 0.00 H new ATOM 0 HB2 PHE A 449 -1.602 4.526 8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 449 -2.061 2.841 7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 449 -3.131 6.306 7.298 1.00 0.00 H new ATOM 0 HD2 PHE A 449 -4.167 2.196 6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 449 -4.922 6.923 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 449 -5.957 2.810 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 449 -6.333 5.176 4.725 1.00 0.00 H new ATOM 669 N PHE A 450 -3.440 1.481 9.814 1.00 0.00 N ATOM 670 CA PHE A 450 -4.315 0.333 10.019 1.00 0.00 C ATOM 671 C PHE A 450 -4.126 -0.253 11.415 1.00 0.00 C ATOM 672 O PHE A 450 -4.035 -1.469 11.583 1.00 0.00 O ATOM 673 CB PHE A 450 -4.041 -0.739 8.962 1.00 0.00 C ATOM 674 CG PHE A 450 -4.357 -0.296 7.562 1.00 0.00 C ATOM 675 CD1 PHE A 450 -5.643 0.087 7.216 1.00 0.00 C ATOM 676 CD2 PHE A 450 -3.368 -0.262 6.592 1.00 0.00 C ATOM 677 CE1 PHE A 450 -5.938 0.495 5.929 1.00 0.00 C ATOM 678 CE2 PHE A 450 -3.657 0.146 5.303 1.00 0.00 C ATOM 679 CZ PHE A 450 -4.943 0.524 4.971 1.00 0.00 C ATOM 0 H PHE A 450 -2.463 1.242 9.647 1.00 0.00 H new ATOM 0 HA PHE A 450 -5.346 0.672 9.924 1.00 0.00 H new ATOM 0 HB2 PHE A 450 -2.992 -1.029 9.014 1.00 0.00 H new ATOM 0 HB3 PHE A 450 -4.629 -1.626 9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 450 -6.424 0.066 7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 450 -2.361 -0.557 6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 450 -6.945 0.791 5.673 1.00 0.00 H new ATOM 0 HE2 PHE A 450 -2.877 0.169 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 450 -5.171 0.842 3.964 1.00 0.00 H new ATOM 689 N LYS A 451 -4.068 0.621 12.414 1.00 0.00 N ATOM 690 CA LYS A 451 -3.890 0.193 13.796 1.00 0.00 C ATOM 691 C LYS A 451 -5.032 -0.718 14.234 1.00 0.00 C ATOM 692 O LYS A 451 -6.031 -0.863 13.528 1.00 0.00 O ATOM 693 CB LYS A 451 -3.811 1.409 14.722 1.00 0.00 C ATOM 694 CG LYS A 451 -2.531 2.212 14.563 1.00 0.00 C ATOM 695 CD LYS A 451 -2.131 2.888 15.864 1.00 0.00 C ATOM 696 CE LYS A 451 -3.255 3.755 16.410 1.00 0.00 C ATOM 697 NZ LYS A 451 -3.177 5.151 15.899 1.00 0.00 N ATOM 0 H LYS A 451 -4.142 1.631 12.292 1.00 0.00 H new ATOM 0 HA LYS A 451 -2.957 -0.366 13.860 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -4.664 2.059 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -3.894 1.074 15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -1.727 1.555 14.231 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -2.667 2.966 13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -1.863 2.131 16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -1.245 3.501 15.699 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -4.216 3.320 16.134 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -3.210 3.764 17.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -3.328 5.817 16.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -2.239 5.316 15.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -3.910 5.297 15.175 1.00 0.00 H new ATOM 711 N LYS A 452 -4.880 -1.330 15.404 1.00 0.00 N ATOM 712 CA LYS A 452 -5.898 -2.225 15.938 1.00 0.00 C ATOM 713 C LYS A 452 -6.169 -3.377 14.976 1.00 0.00 C ATOM 714 O LYS A 452 -7.284 -3.898 14.913 1.00 0.00 O ATOM 715 CB LYS A 452 -7.194 -1.455 16.206 1.00 0.00 C ATOM 716 CG LYS A 452 -7.176 -0.670 17.506 1.00 0.00 C ATOM 717 CD LYS A 452 -7.299 -1.585 18.713 1.00 0.00 C ATOM 718 CE LYS A 452 -7.698 -0.812 19.960 1.00 0.00 C ATOM 719 NZ LYS A 452 -9.075 -0.255 19.851 1.00 0.00 N ATOM 0 H LYS A 452 -4.060 -1.222 16.001 1.00 0.00 H new ATOM 0 HA LYS A 452 -5.527 -2.638 16.876 1.00 0.00 H new ATOM 0 HB2 LYS A 452 -7.377 -0.769 15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 452 -8.027 -2.158 16.227 1.00 0.00 H new ATOM 0 HG2 LYS A 452 -6.250 -0.099 17.574 1.00 0.00 H new ATOM 0 HG3 LYS A 452 -7.995 0.049 17.509 1.00 0.00 H new ATOM 0 HD2 LYS A 452 -8.040 -2.358 18.511 1.00 0.00 H new ATOM 0 HD3 LYS A 452 -6.349 -2.091 18.886 1.00 0.00 H new ATOM 0 HE2 LYS A 452 -7.640 -1.468 20.828 1.00 0.00 H new ATOM 0 HE3 LYS A 452 -6.990 -0.000 20.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 -9.452 -0.071 20.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 -9.048 0.634 19.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 -9.688 -0.938 19.362 1.00 0.00 H new ATOM 733 N LEU A 453 -5.144 -3.772 14.230 1.00 0.00 N ATOM 734 CA LEU A 453 -5.271 -4.864 13.271 1.00 0.00 C ATOM 735 C LEU A 453 -4.037 -5.760 13.300 1.00 0.00 C ATOM 736 O LEU A 453 -3.002 -5.391 13.854 1.00 0.00 O ATOM 737 CB LEU A 453 -5.480 -4.310 11.861 1.00 0.00 C ATOM 738 CG LEU A 453 -6.731 -3.454 11.655 1.00 0.00 C ATOM 739 CD1 LEU A 453 -6.583 -2.583 10.417 1.00 0.00 C ATOM 740 CD2 LEU A 453 -7.967 -4.335 11.545 1.00 0.00 C ATOM 0 H LEU A 453 -4.215 -3.353 14.270 1.00 0.00 H new ATOM 0 HA LEU A 453 -6.138 -5.462 13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -4.608 -3.713 11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -5.519 -5.148 11.165 1.00 0.00 H new ATOM 0 HG LEU A 453 -6.850 -2.802 12.521 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -7.482 -1.981 10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -5.721 -1.927 10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -6.440 -3.216 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -8.848 -3.710 11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -7.857 -5.011 10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -8.082 -4.916 12.460 1.00 0.00 H new ATOM 752 N ASP A 454 -4.153 -6.938 12.697 1.00 0.00 N ATOM 753 CA ASP A 454 -3.046 -7.886 12.650 1.00 0.00 C ATOM 754 C ASP A 454 -2.289 -7.773 11.330 1.00 0.00 C ATOM 755 O ASP A 454 -2.693 -8.350 10.321 1.00 0.00 O ATOM 756 CB ASP A 454 -3.561 -9.314 12.836 1.00 0.00 C ATOM 757 CG ASP A 454 -3.594 -9.733 14.293 1.00 0.00 C ATOM 758 OD1 ASP A 454 -4.560 -9.364 14.994 1.00 0.00 O ATOM 759 OD2 ASP A 454 -2.655 -10.429 14.731 1.00 0.00 O ATOM 0 H ASP A 454 -5.003 -7.259 12.234 1.00 0.00 H new ATOM 0 HA ASP A 454 -2.360 -7.647 13.463 1.00 0.00 H new ATOM 0 HB2 ASP A 454 -4.564 -9.393 12.416 1.00 0.00 H new ATOM 0 HB3 ASP A 454 -2.926 -10.002 12.278 1.00 0.00 H new ATOM 764 N ILE A 455 -1.191 -7.025 11.347 1.00 0.00 N ATOM 765 CA ILE A 455 -0.378 -6.836 10.151 1.00 0.00 C ATOM 766 C ILE A 455 0.998 -7.473 10.316 1.00 0.00 C ATOM 767 O ILE A 455 1.692 -7.230 11.303 1.00 0.00 O ATOM 768 CB ILE A 455 -0.203 -5.342 9.819 1.00 0.00 C ATOM 769 CG1 ILE A 455 -1.568 -4.661 9.698 1.00 0.00 C ATOM 770 CG2 ILE A 455 0.594 -5.175 8.535 1.00 0.00 C ATOM 771 CD1 ILE A 455 -1.480 -3.169 9.466 1.00 0.00 C ATOM 0 H ILE A 455 -0.844 -6.540 12.175 1.00 0.00 H new ATOM 0 HA ILE A 455 -0.906 -7.323 9.331 1.00 0.00 H new ATOM 0 HB ILE A 455 0.349 -4.867 10.630 1.00 0.00 H new ATOM 0 HG12 ILE A 455 -2.121 -5.116 8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 455 -2.139 -4.846 10.608 1.00 0.00 H new ATOM 0 HG21 ILE A 455 0.709 -4.114 8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 455 1.577 -5.629 8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 455 0.067 -5.662 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 455 -2.485 -2.753 9.390 1.00 0.00 H new ATOM 0 HD12 ILE A 455 -0.955 -2.702 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 455 -0.937 -2.976 8.541 1.00 0.00 H new ATOM 783 N VAL A 456 1.386 -8.289 9.341 1.00 0.00 N ATOM 784 CA VAL A 456 2.681 -8.959 9.376 1.00 0.00 C ATOM 785 C VAL A 456 3.821 -7.962 9.206 1.00 0.00 C ATOM 786 O VAL A 456 4.171 -7.589 8.086 1.00 0.00 O ATOM 787 CB VAL A 456 2.786 -10.034 8.277 1.00 0.00 C ATOM 788 CG1 VAL A 456 3.996 -10.924 8.515 1.00 0.00 C ATOM 789 CG2 VAL A 456 1.510 -10.860 8.217 1.00 0.00 C ATOM 0 H VAL A 456 0.823 -8.502 8.518 1.00 0.00 H new ATOM 0 HA VAL A 456 2.763 -9.437 10.352 1.00 0.00 H new ATOM 0 HB VAL A 456 2.915 -9.536 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 456 4.054 -11.677 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 456 4.902 -10.317 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 456 3.901 -11.416 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 456 1.601 -11.614 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 456 1.348 -11.350 9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 456 0.665 -10.208 7.995 1.00 0.00 H new ATOM 799 N GLU A 457 4.396 -7.533 10.325 1.00 0.00 N ATOM 800 CA GLU A 457 5.498 -6.578 10.299 1.00 0.00 C ATOM 801 C GLU A 457 6.435 -6.860 9.129 1.00 0.00 C ATOM 802 O GLU A 457 7.046 -5.946 8.574 1.00 0.00 O ATOM 803 CB GLU A 457 6.277 -6.628 11.615 1.00 0.00 C ATOM 804 CG GLU A 457 5.716 -5.712 12.690 1.00 0.00 C ATOM 805 CD GLU A 457 6.780 -5.227 13.655 1.00 0.00 C ATOM 806 OE1 GLU A 457 7.904 -4.930 13.201 1.00 0.00 O ATOM 807 OE2 GLU A 457 6.487 -5.144 14.867 1.00 0.00 O ATOM 0 H GLU A 457 4.118 -7.831 11.260 1.00 0.00 H new ATOM 0 HA GLU A 457 5.077 -5.580 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.279 -7.652 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.315 -6.356 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 457 5.240 -4.853 12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 457 4.941 -6.241 13.245 1.00 0.00 H new ATOM 814 N ASP A 458 6.545 -8.131 8.759 1.00 0.00 N ATOM 815 CA ASP A 458 7.407 -8.535 7.655 1.00 0.00 C ATOM 816 C ASP A 458 6.788 -8.154 6.314 1.00 0.00 C ATOM 817 O ASP A 458 7.440 -7.541 5.469 1.00 0.00 O ATOM 818 CB ASP A 458 7.662 -10.042 7.704 1.00 0.00 C ATOM 819 CG ASP A 458 8.461 -10.455 8.924 1.00 0.00 C ATOM 820 OD1 ASP A 458 7.849 -10.665 9.992 1.00 0.00 O ATOM 821 OD2 ASP A 458 9.699 -10.571 8.810 1.00 0.00 O ATOM 0 H ASP A 458 6.047 -8.900 9.208 1.00 0.00 H new ATOM 0 HA ASP A 458 8.357 -8.010 7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 458 6.708 -10.569 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.196 -10.347 6.804 1.00 0.00 H new ATOM 826 N SER A 459 5.525 -8.523 6.126 1.00 0.00 N ATOM 827 CA SER A 459 4.818 -8.224 4.886 1.00 0.00 C ATOM 828 C SER A 459 4.912 -6.739 4.551 1.00 0.00 C ATOM 829 O SER A 459 5.249 -6.365 3.427 1.00 0.00 O ATOM 830 CB SER A 459 3.350 -8.642 4.997 1.00 0.00 C ATOM 831 OG SER A 459 2.651 -7.811 5.907 1.00 0.00 O ATOM 0 H SER A 459 4.970 -9.029 6.816 1.00 0.00 H new ATOM 0 HA SER A 459 5.290 -8.790 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.878 -8.589 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 459 3.288 -9.679 5.325 1.00 0.00 H new ATOM 0 HG SER A 459 3.164 -7.731 6.738 1.00 0.00 H new ATOM 837 N ILE A 460 4.611 -5.897 5.534 1.00 0.00 N ATOM 838 CA ILE A 460 4.662 -4.453 5.345 1.00 0.00 C ATOM 839 C ILE A 460 5.850 -4.054 4.476 1.00 0.00 C ATOM 840 O ILE A 460 6.992 -4.038 4.936 1.00 0.00 O ATOM 841 CB ILE A 460 4.755 -3.712 6.692 1.00 0.00 C ATOM 842 CG1 ILE A 460 3.644 -4.181 7.635 1.00 0.00 C ATOM 843 CG2 ILE A 460 4.673 -2.208 6.476 1.00 0.00 C ATOM 844 CD1 ILE A 460 3.387 -3.233 8.785 1.00 0.00 C ATOM 0 H ILE A 460 4.329 -6.190 6.469 1.00 0.00 H new ATOM 0 HA ILE A 460 3.736 -4.167 4.845 1.00 0.00 H new ATOM 0 HB ILE A 460 5.717 -3.942 7.151 1.00 0.00 H new ATOM 0 HG12 ILE A 460 2.723 -4.306 7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 460 3.907 -5.161 8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 460 4.740 -1.698 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 460 5.495 -1.887 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 460 3.725 -1.960 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 460 2.588 -3.629 9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 460 4.295 -3.127 9.379 1.00 0.00 H new ATOM 0 HD13 ILE A 460 3.093 -2.259 8.395 1.00 0.00 H new ATOM 856 N TYR A 461 5.573 -3.731 3.218 1.00 0.00 N ATOM 857 CA TYR A 461 6.618 -3.332 2.283 1.00 0.00 C ATOM 858 C TYR A 461 6.400 -1.901 1.800 1.00 0.00 C ATOM 859 O TYR A 461 5.273 -1.496 1.514 1.00 0.00 O ATOM 860 CB TYR A 461 6.654 -4.285 1.088 1.00 0.00 C ATOM 861 CG TYR A 461 7.863 -4.098 0.200 1.00 0.00 C ATOM 862 CD1 TYR A 461 7.959 -3.008 -0.656 1.00 0.00 C ATOM 863 CD2 TYR A 461 8.910 -5.012 0.217 1.00 0.00 C ATOM 864 CE1 TYR A 461 9.062 -2.833 -1.470 1.00 0.00 C ATOM 865 CE2 TYR A 461 10.017 -4.845 -0.592 1.00 0.00 C ATOM 866 CZ TYR A 461 10.088 -3.754 -1.434 1.00 0.00 C ATOM 867 OH TYR A 461 11.189 -3.583 -2.242 1.00 0.00 O ATOM 0 H TYR A 461 4.633 -3.738 2.822 1.00 0.00 H new ATOM 0 HA TYR A 461 7.574 -3.379 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 461 6.637 -5.312 1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 461 5.752 -4.143 0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 461 7.158 -2.285 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 461 8.857 -5.867 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 461 9.120 -1.980 -2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 461 10.822 -5.564 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 461 11.820 -4.318 -2.095 1.00 0.00 H new ATOM 877 N ILE A 462 7.487 -1.141 1.712 1.00 0.00 N ATOM 878 CA ILE A 462 7.416 0.243 1.262 1.00 0.00 C ATOM 879 C ILE A 462 8.449 0.522 0.176 1.00 0.00 C ATOM 880 O ILE A 462 9.618 0.159 0.309 1.00 0.00 O ATOM 881 CB ILE A 462 7.634 1.226 2.427 1.00 0.00 C ATOM 882 CG1 ILE A 462 6.516 1.081 3.462 1.00 0.00 C ATOM 883 CG2 ILE A 462 7.703 2.655 1.910 1.00 0.00 C ATOM 884 CD1 ILE A 462 6.801 1.796 4.764 1.00 0.00 C ATOM 0 H ILE A 462 8.427 -1.461 1.946 1.00 0.00 H new ATOM 0 HA ILE A 462 6.416 0.391 0.855 1.00 0.00 H new ATOM 0 HB ILE A 462 8.583 0.989 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 462 5.589 1.468 3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 462 6.356 0.022 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 462 7.857 3.337 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 462 8.531 2.748 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 462 6.770 2.905 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 462 5.966 1.650 5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 462 7.711 1.393 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 462 6.932 2.861 4.573 1.00 0.00 H new ATOM 896 N ALA A 463 8.011 1.170 -0.898 1.00 0.00 N ATOM 897 CA ALA A 463 8.899 1.502 -2.006 1.00 0.00 C ATOM 898 C ALA A 463 9.694 2.769 -1.712 1.00 0.00 C ATOM 899 O ALA A 463 9.135 3.778 -1.279 1.00 0.00 O ATOM 900 CB ALA A 463 8.101 1.663 -3.291 1.00 0.00 C ATOM 0 H ALA A 463 7.046 1.476 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 463 9.606 0.682 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 463 8.776 1.911 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 463 7.583 0.731 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 463 7.371 2.463 -3.168 1.00 0.00 H new ATOM 906 N TYR A 464 10.999 2.711 -1.948 1.00 0.00 N ATOM 907 CA TYR A 464 11.872 3.854 -1.706 1.00 0.00 C ATOM 908 C TYR A 464 12.533 4.319 -2.999 1.00 0.00 C ATOM 909 O TYR A 464 12.972 3.507 -3.813 1.00 0.00 O ATOM 910 CB TYR A 464 12.942 3.495 -0.673 1.00 0.00 C ATOM 911 CG TYR A 464 12.378 3.131 0.682 1.00 0.00 C ATOM 912 CD1 TYR A 464 11.529 3.998 1.358 1.00 0.00 C ATOM 913 CD2 TYR A 464 12.695 1.920 1.285 1.00 0.00 C ATOM 914 CE1 TYR A 464 11.012 3.670 2.597 1.00 0.00 C ATOM 915 CE2 TYR A 464 12.181 1.583 2.522 1.00 0.00 C ATOM 916 CZ TYR A 464 11.340 2.461 3.174 1.00 0.00 C ATOM 917 OH TYR A 464 10.828 2.129 4.408 1.00 0.00 O ATOM 0 H TYR A 464 11.477 1.884 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 464 11.261 4.670 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 464 13.531 2.658 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 464 13.623 4.339 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 464 11.268 4.944 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 464 13.354 1.231 0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 464 10.355 4.356 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 464 12.436 0.637 2.976 1.00 0.00 H new ATOM 0 HH TYR A 464 11.156 1.244 4.671 1.00 0.00 H new ATOM 927 N GLY A 465 12.601 5.634 -3.182 1.00 0.00 N ATOM 928 CA GLY A 465 13.211 6.187 -4.378 1.00 0.00 C ATOM 929 C GLY A 465 14.713 5.984 -4.410 1.00 0.00 C ATOM 930 O GLY A 465 15.334 5.633 -3.407 1.00 0.00 O ATOM 0 H GLY A 465 12.245 6.327 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 465 12.766 5.722 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 465 12.990 7.253 -4.435 1.00 0.00 H new ATOM 934 N PRO A 466 15.319 6.206 -5.585 1.00 0.00 N ATOM 935 CA PRO A 466 16.764 6.051 -5.772 1.00 0.00 C ATOM 936 C PRO A 466 17.562 7.129 -5.046 1.00 0.00 C ATOM 937 O PRO A 466 18.792 7.105 -5.040 1.00 0.00 O ATOM 938 CB PRO A 466 16.942 6.184 -7.287 1.00 0.00 C ATOM 939 CG PRO A 466 15.776 6.995 -7.736 1.00 0.00 C ATOM 940 CD PRO A 466 14.640 6.627 -6.822 1.00 0.00 C ATOM 0 HA PRO A 466 17.128 5.107 -5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 466 17.884 6.675 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 466 16.955 5.208 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 466 15.996 8.061 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 466 15.527 6.779 -8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 466 13.975 7.473 -6.647 1.00 0.00 H new ATOM 0 HD3 PRO A 466 14.032 5.824 -7.240 1.00 0.00 H new ATOM 948 N ASN A 467 16.853 8.072 -4.434 1.00 0.00 N ATOM 949 CA ASN A 467 17.496 9.159 -3.704 1.00 0.00 C ATOM 950 C ASN A 467 17.312 8.987 -2.199 1.00 0.00 C ATOM 951 O ASN A 467 17.494 9.929 -1.429 1.00 0.00 O ATOM 952 CB ASN A 467 16.925 10.507 -4.148 1.00 0.00 C ATOM 953 CG ASN A 467 16.733 10.587 -5.650 1.00 0.00 C ATOM 954 OD1 ASN A 467 15.774 10.042 -6.195 1.00 0.00 O ATOM 955 ND2 ASN A 467 17.649 11.270 -6.327 1.00 0.00 N ATOM 0 H ASN A 467 15.834 8.106 -4.429 1.00 0.00 H new ATOM 0 HA ASN A 467 18.563 9.132 -3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 467 15.968 10.674 -3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 467 17.594 11.305 -3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 467 17.573 11.359 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 467 18.428 11.706 -5.834 1.00 0.00 H new ATOM 962 N GLY A 468 16.950 7.775 -1.787 1.00 0.00 N ATOM 963 CA GLY A 468 16.749 7.501 -0.377 1.00 0.00 C ATOM 964 C GLY A 468 15.539 8.220 0.186 1.00 0.00 C ATOM 965 O GLY A 468 15.537 8.636 1.345 1.00 0.00 O ATOM 0 H GLY A 468 16.793 6.979 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 468 16.630 6.427 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 468 17.637 7.801 0.179 1.00 0.00 H new ATOM 969 N LYS A 469 14.506 8.369 -0.636 1.00 0.00 N ATOM 970 CA LYS A 469 13.283 9.043 -0.214 1.00 0.00 C ATOM 971 C LYS A 469 12.051 8.251 -0.639 1.00 0.00 C ATOM 972 O LYS A 469 11.920 7.864 -1.800 1.00 0.00 O ATOM 973 CB LYS A 469 13.225 10.453 -0.806 1.00 0.00 C ATOM 974 CG LYS A 469 14.200 11.424 -0.162 1.00 0.00 C ATOM 975 CD LYS A 469 13.688 11.921 1.180 1.00 0.00 C ATOM 976 CE LYS A 469 14.381 13.209 1.598 1.00 0.00 C ATOM 977 NZ LYS A 469 13.853 13.728 2.890 1.00 0.00 N ATOM 0 H LYS A 469 14.491 8.032 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 469 13.291 9.111 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 469 13.433 10.398 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 469 12.213 10.842 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 469 15.165 10.936 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 469 14.363 12.272 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 469 12.612 12.088 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 469 13.851 11.156 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 469 15.453 13.032 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 469 14.247 13.962 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 14.558 14.356 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 12.975 14.259 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 13.656 12.932 3.530 1.00 0.00 H new ATOM 991 N ALA A 470 11.150 8.014 0.308 1.00 0.00 N ATOM 992 CA ALA A 470 9.926 7.272 0.031 1.00 0.00 C ATOM 993 C ALA A 470 9.188 7.857 -1.168 1.00 0.00 C ATOM 994 O ALA A 470 8.840 9.039 -1.180 1.00 0.00 O ATOM 995 CB ALA A 470 9.024 7.264 1.256 1.00 0.00 C ATOM 0 H ALA A 470 11.245 8.325 1.275 1.00 0.00 H new ATOM 0 HA ALA A 470 10.201 6.245 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 470 8.114 6.706 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 470 9.545 6.792 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 470 8.766 8.288 1.524 1.00 0.00 H new ATOM 1001 N THR A 471 8.952 7.024 -2.177 1.00 0.00 N ATOM 1002 CA THR A 471 8.257 7.460 -3.381 1.00 0.00 C ATOM 1003 C THR A 471 6.792 7.764 -3.091 1.00 0.00 C ATOM 1004 O THR A 471 6.164 8.563 -3.786 1.00 0.00 O ATOM 1005 CB THR A 471 8.339 6.397 -4.493 1.00 0.00 C ATOM 1006 OG1 THR A 471 7.382 5.360 -4.250 1.00 0.00 O ATOM 1007 CG2 THR A 471 9.735 5.798 -4.568 1.00 0.00 C ATOM 0 H THR A 471 9.232 6.043 -2.184 1.00 0.00 H new ATOM 0 HA THR A 471 8.753 8.369 -3.720 1.00 0.00 H new ATOM 0 HB THR A 471 8.117 6.881 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 471 7.439 4.689 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 471 9.768 5.050 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 471 10.458 6.585 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 471 9.981 5.329 -3.616 1.00 0.00 H new ATOM 1015 N GLY A 472 6.252 7.123 -2.059 1.00 0.00 N ATOM 1016 CA GLY A 472 4.864 7.339 -1.695 1.00 0.00 C ATOM 1017 C GLY A 472 3.985 6.151 -2.031 1.00 0.00 C ATOM 1018 O GLY A 472 2.852 6.318 -2.482 1.00 0.00 O ATOM 0 H GLY A 472 6.751 6.458 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 472 4.800 7.544 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 472 4.489 8.222 -2.212 1.00 0.00 H new ATOM 1022 N GLU A 473 4.508 4.949 -1.814 1.00 0.00 N ATOM 1023 CA GLU A 473 3.762 3.729 -2.099 1.00 0.00 C ATOM 1024 C GLU A 473 4.123 2.626 -1.108 1.00 0.00 C ATOM 1025 O GLU A 473 5.296 2.398 -0.815 1.00 0.00 O ATOM 1026 CB GLU A 473 4.042 3.256 -3.528 1.00 0.00 C ATOM 1027 CG GLU A 473 3.791 4.322 -4.581 1.00 0.00 C ATOM 1028 CD GLU A 473 4.294 3.917 -5.953 1.00 0.00 C ATOM 1029 OE1 GLU A 473 5.342 3.240 -6.024 1.00 0.00 O ATOM 1030 OE2 GLU A 473 3.641 4.275 -6.955 1.00 0.00 O ATOM 0 H GLU A 473 5.445 4.794 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 473 2.700 3.951 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 473 5.079 2.927 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.417 2.389 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.722 4.528 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 473 4.279 5.248 -4.278 1.00 0.00 H new ATOM 1037 N GLY A 474 3.103 1.944 -0.594 1.00 0.00 N ATOM 1038 CA GLY A 474 3.332 0.874 0.360 1.00 0.00 C ATOM 1039 C GLY A 474 2.369 -0.282 0.176 1.00 0.00 C ATOM 1040 O GLY A 474 1.405 -0.181 -0.582 1.00 0.00 O ATOM 0 H GLY A 474 2.123 2.113 -0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 474 4.355 0.511 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 474 3.235 1.267 1.372 1.00 0.00 H new ATOM 1044 N PHE A 475 2.631 -1.384 0.871 1.00 0.00 N ATOM 1045 CA PHE A 475 1.782 -2.566 0.779 1.00 0.00 C ATOM 1046 C PHE A 475 1.703 -3.285 2.122 1.00 0.00 C ATOM 1047 O PHE A 475 2.688 -3.363 2.856 1.00 0.00 O ATOM 1048 CB PHE A 475 2.313 -3.520 -0.293 1.00 0.00 C ATOM 1049 CG PHE A 475 2.545 -2.859 -1.622 1.00 0.00 C ATOM 1050 CD1 PHE A 475 1.477 -2.500 -2.428 1.00 0.00 C ATOM 1051 CD2 PHE A 475 3.831 -2.597 -2.065 1.00 0.00 C ATOM 1052 CE1 PHE A 475 1.687 -1.893 -3.651 1.00 0.00 C ATOM 1053 CE2 PHE A 475 4.048 -1.989 -3.287 1.00 0.00 C ATOM 1054 CZ PHE A 475 2.975 -1.636 -4.081 1.00 0.00 C ATOM 0 H PHE A 475 3.425 -1.483 1.504 1.00 0.00 H new ATOM 0 HA PHE A 475 0.779 -2.241 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.249 -3.959 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 475 1.605 -4.339 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.468 -2.697 -2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 475 4.674 -2.871 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 475 0.846 -1.620 -4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 475 5.056 -1.790 -3.621 1.00 0.00 H new ATOM 0 HZ PHE A 475 3.142 -1.160 -5.036 1.00 0.00 H new ATOM 1064 N VAL A 476 0.523 -3.809 2.438 1.00 0.00 N ATOM 1065 CA VAL A 476 0.314 -4.522 3.692 1.00 0.00 C ATOM 1066 C VAL A 476 -0.544 -5.764 3.482 1.00 0.00 C ATOM 1067 O VAL A 476 -1.402 -5.795 2.601 1.00 0.00 O ATOM 1068 CB VAL A 476 -0.357 -3.621 4.746 1.00 0.00 C ATOM 1069 CG1 VAL A 476 -0.964 -4.461 5.859 1.00 0.00 C ATOM 1070 CG2 VAL A 476 0.643 -2.621 5.306 1.00 0.00 C ATOM 0 H VAL A 476 -0.303 -3.753 1.842 1.00 0.00 H new ATOM 0 HA VAL A 476 1.298 -4.820 4.053 1.00 0.00 H new ATOM 0 HB VAL A 476 -1.161 -3.065 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.433 -3.807 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.713 -5.133 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.181 -5.046 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 476 0.152 -1.993 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 476 1.470 -3.156 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 476 1.025 -1.997 4.498 1.00 0.00 H new ATOM 1080 N GLU A 477 -0.306 -6.787 4.297 1.00 0.00 N ATOM 1081 CA GLU A 477 -1.058 -8.032 4.199 1.00 0.00 C ATOM 1082 C GLU A 477 -1.591 -8.455 5.565 1.00 0.00 C ATOM 1083 O GLU A 477 -0.822 -8.752 6.480 1.00 0.00 O ATOM 1084 CB GLU A 477 -0.177 -9.141 3.618 1.00 0.00 C ATOM 1085 CG GLU A 477 -0.788 -10.527 3.734 1.00 0.00 C ATOM 1086 CD GLU A 477 0.006 -11.579 2.985 1.00 0.00 C ATOM 1087 OE1 GLU A 477 1.113 -11.928 3.448 1.00 0.00 O ATOM 1088 OE2 GLU A 477 -0.478 -12.054 1.937 1.00 0.00 O ATOM 0 H GLU A 477 0.401 -6.778 5.032 1.00 0.00 H new ATOM 0 HA GLU A 477 -1.905 -7.864 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 477 0.018 -8.926 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 477 0.786 -9.134 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -0.851 -10.805 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.807 -10.504 3.349 1.00 0.00 H new ATOM 1095 N PHE A 478 -2.913 -8.479 5.696 1.00 0.00 N ATOM 1096 CA PHE A 478 -3.550 -8.863 6.950 1.00 0.00 C ATOM 1097 C PHE A 478 -3.715 -10.378 7.035 1.00 0.00 C ATOM 1098 O PHE A 478 -4.396 -10.986 6.210 1.00 0.00 O ATOM 1099 CB PHE A 478 -4.914 -8.183 7.083 1.00 0.00 C ATOM 1100 CG PHE A 478 -4.851 -6.686 6.970 1.00 0.00 C ATOM 1101 CD1 PHE A 478 -4.313 -5.923 7.994 1.00 0.00 C ATOM 1102 CD2 PHE A 478 -5.329 -6.043 5.839 1.00 0.00 C ATOM 1103 CE1 PHE A 478 -4.255 -4.546 7.892 1.00 0.00 C ATOM 1104 CE2 PHE A 478 -5.272 -4.666 5.732 1.00 0.00 C ATOM 1105 CZ PHE A 478 -4.734 -3.917 6.759 1.00 0.00 C ATOM 0 H PHE A 478 -3.564 -8.237 4.949 1.00 0.00 H new ATOM 0 HA PHE A 478 -2.908 -8.538 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 478 -5.581 -8.570 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 478 -5.351 -8.449 8.045 1.00 0.00 H new ATOM 0 HD1 PHE A 478 -3.935 -6.410 8.881 1.00 0.00 H new ATOM 0 HD2 PHE A 478 -5.751 -6.624 5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 478 -3.835 -3.962 8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 478 -5.648 -4.177 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 478 -4.688 -2.841 6.677 1.00 0.00 H new ATOM 1115 N ARG A 479 -3.085 -10.980 8.039 1.00 0.00 N ATOM 1116 CA ARG A 479 -3.160 -12.423 8.231 1.00 0.00 C ATOM 1117 C ARG A 479 -4.605 -12.907 8.163 1.00 0.00 C ATOM 1118 O ARG A 479 -4.950 -13.751 7.337 1.00 0.00 O ATOM 1119 CB ARG A 479 -2.543 -12.813 9.576 1.00 0.00 C ATOM 1120 CG ARG A 479 -1.055 -13.113 9.499 1.00 0.00 C ATOM 1121 CD ARG A 479 -0.797 -14.534 9.021 1.00 0.00 C ATOM 1122 NE ARG A 479 0.622 -14.877 9.065 1.00 0.00 N ATOM 1123 CZ ARG A 479 1.479 -14.584 8.094 1.00 0.00 C ATOM 1124 NH1 ARG A 479 1.064 -13.945 7.009 1.00 0.00 N ATOM 1125 NH2 ARG A 479 2.755 -14.930 8.208 1.00 0.00 N ATOM 0 H ARG A 479 -2.518 -10.491 8.731 1.00 0.00 H new ATOM 0 HA ARG A 479 -2.597 -12.900 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 479 -2.706 -12.005 10.289 1.00 0.00 H new ATOM 0 HB3 ARG A 479 -3.062 -13.689 9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 479 -0.575 -12.407 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 479 -0.603 -12.970 10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 479 -1.358 -15.233 9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 479 -1.166 -14.646 8.001 1.00 0.00 H new ATOM 0 HE ARG A 479 0.974 -15.369 9.887 1.00 0.00 H new ATOM 0 HH11 ARG A 479 0.084 -13.677 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 479 1.725 -13.721 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 479 3.078 -15.421 9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 479 3.413 -14.705 7.462 1.00 0.00 H new ATOM 1139 N ASN A 480 -5.446 -12.366 9.038 1.00 0.00 N ATOM 1140 CA ASN A 480 -6.855 -12.743 9.079 1.00 0.00 C ATOM 1141 C ASN A 480 -7.623 -12.099 7.929 1.00 0.00 C ATOM 1142 O ASN A 480 -7.065 -11.322 7.155 1.00 0.00 O ATOM 1143 CB ASN A 480 -7.476 -12.333 10.415 1.00 0.00 C ATOM 1144 CG ASN A 480 -6.702 -12.873 11.603 1.00 0.00 C ATOM 1145 OD1 ASN A 480 -6.450 -14.074 11.699 1.00 0.00 O ATOM 1146 ND2 ASN A 480 -6.323 -11.985 12.514 1.00 0.00 N ATOM 0 H ASN A 480 -5.177 -11.665 9.728 1.00 0.00 H new ATOM 0 HA ASN A 480 -6.919 -13.826 8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 480 -7.516 -11.245 10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 480 -8.504 -12.693 10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 480 -5.800 -12.289 13.336 1.00 0.00 H new ATOM 0 HD22 ASN A 480 -6.554 -10.999 12.392 1.00 0.00 H new ATOM 1153 N GLU A 481 -8.907 -12.429 7.824 1.00 0.00 N ATOM 1154 CA GLU A 481 -9.752 -11.883 6.768 1.00 0.00 C ATOM 1155 C GLU A 481 -10.634 -10.759 7.304 1.00 0.00 C ATOM 1156 O GLU A 481 -10.681 -9.669 6.736 1.00 0.00 O ATOM 1157 CB GLU A 481 -10.623 -12.984 6.160 1.00 0.00 C ATOM 1158 CG GLU A 481 -11.685 -12.464 5.207 1.00 0.00 C ATOM 1159 CD GLU A 481 -12.779 -13.479 4.941 1.00 0.00 C ATOM 1160 OE1 GLU A 481 -13.558 -13.768 5.872 1.00 0.00 O ATOM 1161 OE2 GLU A 481 -12.855 -13.985 3.802 1.00 0.00 O ATOM 0 H GLU A 481 -9.384 -13.071 8.457 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.103 -11.475 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -9.984 -13.689 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -11.108 -13.537 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -12.128 -11.559 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -11.216 -12.186 4.263 1.00 0.00 H new ATOM 1168 N ALA A 482 -11.331 -11.034 8.401 1.00 0.00 N ATOM 1169 CA ALA A 482 -12.211 -10.047 9.015 1.00 0.00 C ATOM 1170 C ALA A 482 -11.483 -8.725 9.235 1.00 0.00 C ATOM 1171 O ALA A 482 -12.081 -7.653 9.143 1.00 0.00 O ATOM 1172 CB ALA A 482 -12.759 -10.576 10.332 1.00 0.00 C ATOM 0 H ALA A 482 -11.304 -11.932 8.883 1.00 0.00 H new ATOM 0 HA ALA A 482 -13.043 -9.865 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 482 -13.414 -9.829 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 482 -13.323 -11.491 10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 482 -11.933 -10.788 11.011 1.00 0.00 H new ATOM 1178 N ASP A 483 -10.190 -8.809 9.527 1.00 0.00 N ATOM 1179 CA ASP A 483 -9.380 -7.619 9.761 1.00 0.00 C ATOM 1180 C ASP A 483 -9.014 -6.944 8.442 1.00 0.00 C ATOM 1181 O ASP A 483 -8.741 -5.744 8.403 1.00 0.00 O ATOM 1182 CB ASP A 483 -8.110 -7.983 10.531 1.00 0.00 C ATOM 1183 CG ASP A 483 -7.230 -8.955 9.771 1.00 0.00 C ATOM 1184 OD1 ASP A 483 -7.755 -9.666 8.888 1.00 0.00 O ATOM 1185 OD2 ASP A 483 -6.015 -9.003 10.057 1.00 0.00 O ATOM 0 H ASP A 483 -9.680 -9.689 9.607 1.00 0.00 H new ATOM 0 HA ASP A 483 -9.968 -6.920 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 483 -7.545 -7.075 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 483 -8.384 -8.420 11.491 1.00 0.00 H new ATOM 1190 N TYR A 484 -9.009 -7.722 7.366 1.00 0.00 N ATOM 1191 CA TYR A 484 -8.673 -7.201 6.047 1.00 0.00 C ATOM 1192 C TYR A 484 -9.802 -6.332 5.501 1.00 0.00 C ATOM 1193 O TYR A 484 -9.566 -5.244 4.974 1.00 0.00 O ATOM 1194 CB TYR A 484 -8.385 -8.350 5.079 1.00 0.00 C ATOM 1195 CG TYR A 484 -8.690 -8.017 3.636 1.00 0.00 C ATOM 1196 CD1 TYR A 484 -7.808 -7.257 2.877 1.00 0.00 C ATOM 1197 CD2 TYR A 484 -9.858 -8.463 3.031 1.00 0.00 C ATOM 1198 CE1 TYR A 484 -8.083 -6.950 1.559 1.00 0.00 C ATOM 1199 CE2 TYR A 484 -10.140 -8.162 1.713 1.00 0.00 C ATOM 1200 CZ TYR A 484 -9.250 -7.405 0.981 1.00 0.00 C ATOM 1201 OH TYR A 484 -9.526 -7.102 -0.333 1.00 0.00 O ATOM 0 H TYR A 484 -9.234 -8.717 7.381 1.00 0.00 H new ATOM 0 HA TYR A 484 -7.779 -6.585 6.145 1.00 0.00 H new ATOM 0 HB2 TYR A 484 -7.335 -8.631 5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 484 -8.973 -9.219 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 484 -6.892 -6.901 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 484 -10.558 -9.056 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 484 -7.388 -6.357 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 484 -11.053 -8.518 1.258 1.00 0.00 H new ATOM 0 HH TYR A 484 -10.386 -7.499 -0.587 1.00 0.00 H new ATOM 1211 N LYS A 485 -11.031 -6.820 5.631 1.00 0.00 N ATOM 1212 CA LYS A 485 -12.199 -6.090 5.153 1.00 0.00 C ATOM 1213 C LYS A 485 -12.271 -4.704 5.786 1.00 0.00 C ATOM 1214 O LYS A 485 -12.598 -3.723 5.119 1.00 0.00 O ATOM 1215 CB LYS A 485 -13.478 -6.871 5.466 1.00 0.00 C ATOM 1216 CG LYS A 485 -13.666 -8.102 4.596 1.00 0.00 C ATOM 1217 CD LYS A 485 -15.070 -8.667 4.726 1.00 0.00 C ATOM 1218 CE LYS A 485 -15.292 -9.834 3.775 1.00 0.00 C ATOM 1219 NZ LYS A 485 -14.787 -11.115 4.343 1.00 0.00 N ATOM 0 H LYS A 485 -11.244 -7.719 6.064 1.00 0.00 H new ATOM 0 HA LYS A 485 -12.106 -5.973 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 485 -13.461 -7.175 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 485 -14.337 -6.212 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 485 -13.471 -7.846 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 485 -12.939 -8.863 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 485 -15.238 -8.995 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 485 -15.799 -7.884 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 485 -16.356 -9.928 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 485 -14.789 -9.633 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 -14.267 -11.639 3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 -14.152 -10.914 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 -15.589 -11.688 4.674 1.00 0.00 H new ATOM 1233 N ALA A 486 -11.961 -4.631 7.077 1.00 0.00 N ATOM 1234 CA ALA A 486 -11.987 -3.364 7.798 1.00 0.00 C ATOM 1235 C ALA A 486 -11.008 -2.366 7.190 1.00 0.00 C ATOM 1236 O ALA A 486 -11.306 -1.177 7.081 1.00 0.00 O ATOM 1237 CB ALA A 486 -11.670 -3.589 9.269 1.00 0.00 C ATOM 0 H ALA A 486 -11.689 -5.434 7.644 1.00 0.00 H new ATOM 0 HA ALA A 486 -12.990 -2.946 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 486 -11.693 -2.635 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 486 -12.411 -4.261 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 486 -10.679 -4.033 9.364 1.00 0.00 H new ATOM 1243 N ALA A 487 -9.837 -2.857 6.797 1.00 0.00 N ATOM 1244 CA ALA A 487 -8.815 -2.008 6.198 1.00 0.00 C ATOM 1245 C ALA A 487 -9.392 -1.170 5.063 1.00 0.00 C ATOM 1246 O ALA A 487 -9.085 0.016 4.935 1.00 0.00 O ATOM 1247 CB ALA A 487 -7.655 -2.854 5.695 1.00 0.00 C ATOM 0 H ALA A 487 -9.573 -3.838 6.883 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.448 -1.327 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -6.899 -2.207 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.217 -3.404 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.016 -3.558 4.946 1.00 0.00 H new ATOM 1253 N LEU A 488 -10.230 -1.792 4.241 1.00 0.00 N ATOM 1254 CA LEU A 488 -10.851 -1.103 3.115 1.00 0.00 C ATOM 1255 C LEU A 488 -11.817 -0.028 3.601 1.00 0.00 C ATOM 1256 O LEU A 488 -11.988 1.006 2.953 1.00 0.00 O ATOM 1257 CB LEU A 488 -11.589 -2.104 2.224 1.00 0.00 C ATOM 1258 CG LEU A 488 -10.710 -3.005 1.356 1.00 0.00 C ATOM 1259 CD1 LEU A 488 -9.651 -2.185 0.636 1.00 0.00 C ATOM 1260 CD2 LEU A 488 -10.062 -4.092 2.201 1.00 0.00 C ATOM 0 H LEU A 488 -10.495 -2.773 4.333 1.00 0.00 H new ATOM 0 HA LEU A 488 -10.063 -0.622 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 488 -12.208 -2.737 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 488 -12.264 -1.550 1.571 1.00 0.00 H new ATOM 0 HG LEU A 488 -11.341 -3.483 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 488 -9.035 -2.843 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 488 -10.135 -1.444 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 488 -9.023 -1.679 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 488 -9.440 -4.724 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 488 -9.444 -3.633 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -10.837 -4.699 2.669 1.00 0.00 H new ATOM 1272 N CYS A 489 -12.445 -0.277 4.745 1.00 0.00 N ATOM 1273 CA CYS A 489 -13.394 0.671 5.318 1.00 0.00 C ATOM 1274 C CYS A 489 -12.684 1.939 5.781 1.00 0.00 C ATOM 1275 O CYS A 489 -13.325 2.910 6.182 1.00 0.00 O ATOM 1276 CB CYS A 489 -14.139 0.032 6.492 1.00 0.00 C ATOM 1277 SG CYS A 489 -15.628 -0.876 6.015 1.00 0.00 S ATOM 0 H CYS A 489 -12.314 -1.127 5.294 1.00 0.00 H new ATOM 0 HA CYS A 489 -14.112 0.941 4.544 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -13.463 -0.647 7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -14.414 0.812 7.202 1.00 0.00 H new ATOM 0 HG CYS A 489 -16.186 -1.381 7.075 1.00 0.00 H new ATOM 1283 N ARG A 490 -11.356 1.922 5.722 1.00 0.00 N ATOM 1284 CA ARG A 490 -10.559 3.069 6.138 1.00 0.00 C ATOM 1285 C ARG A 490 -9.980 3.796 4.927 1.00 0.00 C ATOM 1286 O ARG A 490 -8.770 4.004 4.835 1.00 0.00 O ATOM 1287 CB ARG A 490 -9.428 2.622 7.066 1.00 0.00 C ATOM 1288 CG ARG A 490 -9.897 1.761 8.227 1.00 0.00 C ATOM 1289 CD ARG A 490 -8.943 1.849 9.408 1.00 0.00 C ATOM 1290 NE ARG A 490 -9.157 3.061 10.195 1.00 0.00 N ATOM 1291 CZ ARG A 490 -10.174 3.222 11.033 1.00 0.00 C ATOM 1292 NH1 ARG A 490 -11.066 2.254 11.193 1.00 0.00 N ATOM 1293 NH2 ARG A 490 -10.301 4.354 11.714 1.00 0.00 N ATOM 0 H ARG A 490 -10.810 1.127 5.390 1.00 0.00 H new ATOM 0 HA ARG A 490 -11.211 3.757 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 490 -8.692 2.065 6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 490 -8.923 3.504 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 490 -10.892 2.078 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 490 -9.980 0.724 7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 490 -9.074 0.975 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 490 -7.915 1.828 9.046 1.00 0.00 H new ATOM 0 HE ARG A 490 -8.489 3.825 10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 490 -10.972 1.382 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 490 -11.846 2.381 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 490 -9.617 5.101 11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 490 -11.083 4.477 12.358 1.00 0.00 H new ATOM 1307 N HIS A 491 -10.853 4.179 4.001 1.00 0.00 N ATOM 1308 CA HIS A 491 -10.429 4.883 2.796 1.00 0.00 C ATOM 1309 C HIS A 491 -10.578 6.392 2.967 1.00 0.00 C ATOM 1310 O HIS A 491 -11.243 6.860 3.891 1.00 0.00 O ATOM 1311 CB HIS A 491 -11.245 4.412 1.591 1.00 0.00 C ATOM 1312 CG HIS A 491 -10.980 5.199 0.344 1.00 0.00 C ATOM 1313 ND1 HIS A 491 -9.918 4.940 -0.497 1.00 0.00 N ATOM 1314 CD2 HIS A 491 -11.647 6.241 -0.204 1.00 0.00 C ATOM 1315 CE1 HIS A 491 -9.942 5.791 -1.507 1.00 0.00 C ATOM 1316 NE2 HIS A 491 -10.982 6.591 -1.353 1.00 0.00 N ATOM 0 H HIS A 491 -11.858 4.014 4.062 1.00 0.00 H new ATOM 0 HA HIS A 491 -9.377 4.657 2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 491 -11.025 3.361 1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 491 -12.306 4.477 1.833 1.00 0.00 H new ATOM 0 HD2 HIS A 491 -12.537 6.710 0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 491 -9.232 5.827 -2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 491 -11.248 7.346 -1.985 1.00 0.00 H new ATOM 1325 N LYS A 492 -9.953 7.149 2.071 1.00 0.00 N ATOM 1326 CA LYS A 492 -10.016 8.605 2.122 1.00 0.00 C ATOM 1327 C LYS A 492 -9.544 9.123 3.477 1.00 0.00 C ATOM 1328 O LYS A 492 -10.194 9.972 4.087 1.00 0.00 O ATOM 1329 CB LYS A 492 -11.443 9.084 1.849 1.00 0.00 C ATOM 1330 CG LYS A 492 -11.513 10.484 1.264 1.00 0.00 C ATOM 1331 CD LYS A 492 -12.795 10.697 0.478 1.00 0.00 C ATOM 1332 CE LYS A 492 -12.743 9.998 -0.873 1.00 0.00 C ATOM 1333 NZ LYS A 492 -11.990 10.795 -1.880 1.00 0.00 N ATOM 0 H LYS A 492 -9.397 6.778 1.301 1.00 0.00 H new ATOM 0 HA LYS A 492 -9.354 9.000 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -11.926 8.388 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -12.010 9.059 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -11.452 11.218 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -10.654 10.651 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -13.642 10.320 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -12.960 11.764 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -12.274 9.021 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -13.758 9.825 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -11.977 10.286 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -12.452 11.718 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -11.014 10.939 -1.550 1.00 0.00 H new ATOM 1347 N GLN A 493 -8.410 8.607 3.941 1.00 0.00 N ATOM 1348 CA GLN A 493 -7.853 9.019 5.224 1.00 0.00 C ATOM 1349 C GLN A 493 -6.578 9.833 5.027 1.00 0.00 C ATOM 1350 O GLN A 493 -5.979 9.816 3.951 1.00 0.00 O ATOM 1351 CB GLN A 493 -7.561 7.795 6.093 1.00 0.00 C ATOM 1352 CG GLN A 493 -8.808 7.160 6.688 1.00 0.00 C ATOM 1353 CD GLN A 493 -9.691 8.164 7.401 1.00 0.00 C ATOM 1354 OE1 GLN A 493 -9.343 8.664 8.472 1.00 0.00 O ATOM 1355 NE2 GLN A 493 -10.841 8.467 6.811 1.00 0.00 N ATOM 0 H GLN A 493 -7.860 7.904 3.448 1.00 0.00 H new ATOM 0 HA GLN A 493 -8.589 9.646 5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 493 -7.035 7.051 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 493 -6.890 8.085 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 493 -9.380 6.678 5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 493 -8.514 6.378 7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 493 -11.090 8.029 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 493 -11.476 9.138 7.245 1.00 0.00 H new ATOM 1364 N TYR A 494 -6.169 10.544 6.071 1.00 0.00 N ATOM 1365 CA TYR A 494 -4.967 11.367 6.012 1.00 0.00 C ATOM 1366 C TYR A 494 -3.961 10.938 7.076 1.00 0.00 C ATOM 1367 O TYR A 494 -4.238 11.007 8.273 1.00 0.00 O ATOM 1368 CB TYR A 494 -5.324 12.843 6.198 1.00 0.00 C ATOM 1369 CG TYR A 494 -6.084 13.433 5.032 1.00 0.00 C ATOM 1370 CD1 TYR A 494 -7.404 13.076 4.785 1.00 0.00 C ATOM 1371 CD2 TYR A 494 -5.482 14.349 4.178 1.00 0.00 C ATOM 1372 CE1 TYR A 494 -8.101 13.613 3.720 1.00 0.00 C ATOM 1373 CE2 TYR A 494 -6.173 14.892 3.111 1.00 0.00 C ATOM 1374 CZ TYR A 494 -7.482 14.520 2.886 1.00 0.00 C ATOM 1375 OH TYR A 494 -8.174 15.058 1.825 1.00 0.00 O ATOM 0 H TYR A 494 -6.652 10.567 6.969 1.00 0.00 H new ATOM 0 HA TYR A 494 -4.512 11.231 5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 494 -5.921 12.952 7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 494 -4.408 13.414 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 494 -7.893 12.367 5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 494 -4.457 14.642 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 494 -9.126 13.324 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 494 -5.691 15.604 2.457 1.00 0.00 H new ATOM 0 HH TYR A 494 -7.594 15.680 1.338 1.00 0.00 H new ATOM 1385 N MET A 495 -2.790 10.495 6.629 1.00 0.00 N ATOM 1386 CA MET A 495 -1.740 10.057 7.541 1.00 0.00 C ATOM 1387 C MET A 495 -1.188 11.233 8.340 1.00 0.00 C ATOM 1388 O MET A 495 -0.141 11.787 8.004 1.00 0.00 O ATOM 1389 CB MET A 495 -0.611 9.377 6.764 1.00 0.00 C ATOM 1390 CG MET A 495 0.266 8.482 7.625 1.00 0.00 C ATOM 1391 SD MET A 495 -0.524 6.911 8.022 1.00 0.00 S ATOM 1392 CE MET A 495 0.254 5.828 6.826 1.00 0.00 C ATOM 0 H MET A 495 -2.545 10.430 5.641 1.00 0.00 H new ATOM 0 HA MET A 495 -2.174 9.340 8.238 1.00 0.00 H new ATOM 0 HB2 MET A 495 -1.042 8.783 5.958 1.00 0.00 H new ATOM 0 HB3 MET A 495 0.011 10.142 6.299 1.00 0.00 H new ATOM 0 HG2 MET A 495 1.205 8.291 7.105 1.00 0.00 H new ATOM 0 HG3 MET A 495 0.514 9.004 8.549 1.00 0.00 H new ATOM 0 HE1 MET A 495 0.314 4.819 7.234 1.00 0.00 H new ATOM 0 HE2 MET A 495 -0.336 5.814 5.910 1.00 0.00 H new ATOM 0 HE3 MET A 495 1.258 6.191 6.606 1.00 0.00 H new ATOM 1402 N GLY A 496 -1.898 11.610 9.398 1.00 0.00 N ATOM 1403 CA GLY A 496 -1.462 12.718 10.228 1.00 0.00 C ATOM 1404 C GLY A 496 -1.650 14.060 9.547 1.00 0.00 C ATOM 1405 O GLY A 496 -2.542 14.827 9.907 1.00 0.00 O ATOM 0 H GLY A 496 -2.768 11.168 9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -2.019 12.708 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -0.410 12.587 10.481 1.00 0.00 H new ATOM 1409 N ASN A 497 -0.805 14.345 8.561 1.00 0.00 N ATOM 1410 CA ASN A 497 -0.881 15.604 7.830 1.00 0.00 C ATOM 1411 C ASN A 497 -0.869 15.361 6.324 1.00 0.00 C ATOM 1412 O ASN A 497 -0.998 16.295 5.533 1.00 0.00 O ATOM 1413 CB ASN A 497 0.285 16.515 8.220 1.00 0.00 C ATOM 1414 CG ASN A 497 0.663 17.478 7.111 1.00 0.00 C ATOM 1415 OD1 ASN A 497 1.710 17.336 6.480 1.00 0.00 O ATOM 1416 ND2 ASN A 497 -0.192 18.465 6.868 1.00 0.00 N ATOM 0 H ASN A 497 -0.060 13.721 8.250 1.00 0.00 H new ATOM 0 HA ASN A 497 -1.819 16.092 8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 497 0.018 17.080 9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 497 1.150 15.904 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 497 0.008 19.144 6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 497 -1.048 18.544 7.416 1.00 0.00 H new ATOM 1423 N ARG A 498 -0.713 14.100 5.935 1.00 0.00 N ATOM 1424 CA ARG A 498 -0.684 13.733 4.525 1.00 0.00 C ATOM 1425 C ARG A 498 -1.952 12.981 4.132 1.00 0.00 C ATOM 1426 O ARG A 498 -2.726 12.556 4.991 1.00 0.00 O ATOM 1427 CB ARG A 498 0.545 12.874 4.225 1.00 0.00 C ATOM 1428 CG ARG A 498 1.831 13.674 4.095 1.00 0.00 C ATOM 1429 CD ARG A 498 1.989 14.251 2.697 1.00 0.00 C ATOM 1430 NE ARG A 498 2.988 15.316 2.654 1.00 0.00 N ATOM 1431 CZ ARG A 498 2.757 16.558 3.064 1.00 0.00 C ATOM 1432 NH1 ARG A 498 1.566 16.890 3.544 1.00 0.00 N ATOM 1433 NH2 ARG A 498 3.717 17.471 2.993 1.00 0.00 N ATOM 0 H ARG A 498 -0.605 13.315 6.577 1.00 0.00 H new ATOM 0 HA ARG A 498 -0.630 14.650 3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 498 0.665 12.136 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 498 0.375 12.322 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 498 1.833 14.483 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 498 2.683 13.035 4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 498 2.276 13.457 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 498 1.030 14.640 2.355 1.00 0.00 H new ATOM 0 HE ARG A 498 3.914 15.093 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 498 0.825 16.191 3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 498 1.391 17.844 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 498 4.634 17.219 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 498 3.538 18.424 3.308 1.00 0.00 H new ATOM 1447 N PHE A 499 -2.159 12.819 2.829 1.00 0.00 N ATOM 1448 CA PHE A 499 -3.333 12.120 2.322 1.00 0.00 C ATOM 1449 C PHE A 499 -2.934 10.830 1.611 1.00 0.00 C ATOM 1450 O PHE A 499 -2.024 10.823 0.781 1.00 0.00 O ATOM 1451 CB PHE A 499 -4.117 13.021 1.366 1.00 0.00 C ATOM 1452 CG PHE A 499 -5.429 12.435 0.929 1.00 0.00 C ATOM 1453 CD1 PHE A 499 -6.375 12.047 1.863 1.00 0.00 C ATOM 1454 CD2 PHE A 499 -5.715 12.271 -0.417 1.00 0.00 C ATOM 1455 CE1 PHE A 499 -7.584 11.507 1.464 1.00 0.00 C ATOM 1456 CE2 PHE A 499 -6.922 11.732 -0.822 1.00 0.00 C ATOM 1457 CZ PHE A 499 -7.857 11.348 0.120 1.00 0.00 C ATOM 0 H PHE A 499 -1.528 13.163 2.105 1.00 0.00 H new ATOM 0 HA PHE A 499 -3.967 11.865 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 499 -4.300 13.980 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 499 -3.506 13.221 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 499 -6.166 12.168 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 499 -4.987 12.567 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 499 -8.314 11.210 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 499 -7.134 11.611 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 499 -8.799 10.924 -0.194 1.00 0.00 H new ATOM 1467 N ILE A 500 -3.619 9.742 1.943 1.00 0.00 N ATOM 1468 CA ILE A 500 -3.337 8.447 1.336 1.00 0.00 C ATOM 1469 C ILE A 500 -4.624 7.739 0.927 1.00 0.00 C ATOM 1470 O ILE A 500 -5.652 7.868 1.591 1.00 0.00 O ATOM 1471 CB ILE A 500 -2.546 7.537 2.295 1.00 0.00 C ATOM 1472 CG1 ILE A 500 -1.089 7.996 2.383 1.00 0.00 C ATOM 1473 CG2 ILE A 500 -2.623 6.089 1.834 1.00 0.00 C ATOM 1474 CD1 ILE A 500 -0.923 9.361 3.014 1.00 0.00 C ATOM 0 H ILE A 500 -4.374 9.731 2.629 1.00 0.00 H new ATOM 0 HA ILE A 500 -2.734 8.639 0.449 1.00 0.00 H new ATOM 0 HB ILE A 500 -2.990 7.607 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 500 -0.521 7.266 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 500 -0.661 8.013 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 500 -2.060 5.458 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 500 -3.664 5.767 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 500 -2.200 6.003 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 500 0.135 9.622 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 500 -1.463 10.102 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 500 -1.321 9.344 4.029 1.00 0.00 H new ATOM 1486 N GLN A 501 -4.558 6.990 -0.169 1.00 0.00 N ATOM 1487 CA GLN A 501 -5.718 6.260 -0.666 1.00 0.00 C ATOM 1488 C GLN A 501 -5.575 4.765 -0.401 1.00 0.00 C ATOM 1489 O GLN A 501 -4.485 4.204 -0.519 1.00 0.00 O ATOM 1490 CB GLN A 501 -5.901 6.509 -2.164 1.00 0.00 C ATOM 1491 CG GLN A 501 -6.738 7.738 -2.478 1.00 0.00 C ATOM 1492 CD GLN A 501 -7.014 7.893 -3.961 1.00 0.00 C ATOM 1493 OE1 GLN A 501 -6.252 7.411 -4.800 1.00 0.00 O ATOM 1494 NE2 GLN A 501 -8.108 8.568 -4.293 1.00 0.00 N ATOM 0 H GLN A 501 -3.714 6.873 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 501 -6.598 6.622 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -4.921 6.619 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -6.371 5.635 -2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -7.684 7.675 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -6.223 8.627 -2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -8.712 8.951 -3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -8.345 8.704 -5.276 1.00 0.00 H new ATOM 1503 N VAL A 502 -6.683 4.124 -0.042 1.00 0.00 N ATOM 1504 CA VAL A 502 -6.682 2.693 0.239 1.00 0.00 C ATOM 1505 C VAL A 502 -7.410 1.918 -0.853 1.00 0.00 C ATOM 1506 O VAL A 502 -8.576 2.183 -1.146 1.00 0.00 O ATOM 1507 CB VAL A 502 -7.341 2.387 1.597 1.00 0.00 C ATOM 1508 CG1 VAL A 502 -7.414 0.886 1.829 1.00 0.00 C ATOM 1509 CG2 VAL A 502 -6.583 3.073 2.724 1.00 0.00 C ATOM 0 H VAL A 502 -7.593 4.573 0.061 1.00 0.00 H new ATOM 0 HA VAL A 502 -5.639 2.378 0.271 1.00 0.00 H new ATOM 0 HB VAL A 502 -8.358 2.778 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 502 -7.882 0.689 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 502 -8.004 0.424 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 502 -6.408 0.467 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 502 -7.063 2.846 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 502 -5.554 2.714 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 502 -6.589 4.151 2.563 1.00 0.00 H new ATOM 1519 N HIS A 503 -6.714 0.957 -1.453 1.00 0.00 N ATOM 1520 CA HIS A 503 -7.295 0.141 -2.514 1.00 0.00 C ATOM 1521 C HIS A 503 -6.870 -1.317 -2.371 1.00 0.00 C ATOM 1522 O HIS A 503 -5.706 -1.628 -2.114 1.00 0.00 O ATOM 1523 CB HIS A 503 -6.876 0.675 -3.884 1.00 0.00 C ATOM 1524 CG HIS A 503 -7.451 2.021 -4.204 1.00 0.00 C ATOM 1525 ND1 HIS A 503 -8.623 2.190 -4.910 1.00 0.00 N ATOM 1526 CD2 HIS A 503 -7.008 3.265 -3.907 1.00 0.00 C ATOM 1527 CE1 HIS A 503 -8.876 3.480 -5.036 1.00 0.00 C ATOM 1528 NE2 HIS A 503 -7.911 4.155 -4.436 1.00 0.00 N ATOM 0 H HIS A 503 -5.748 0.724 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 503 -8.380 0.195 -2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -5.788 0.735 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -7.185 -0.035 -4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -6.112 3.512 -3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -9.727 3.910 -5.543 1.00 0.00 H new ATOM 0 HE2 HIS A 503 -7.847 5.171 -4.376 1.00 0.00 H new ATOM 1537 N PRO A 504 -7.834 -2.234 -2.541 1.00 0.00 N ATOM 1538 CA PRO A 504 -7.583 -3.675 -2.436 1.00 0.00 C ATOM 1539 C PRO A 504 -6.741 -4.203 -3.592 1.00 0.00 C ATOM 1540 O PRO A 504 -6.962 -3.842 -4.748 1.00 0.00 O ATOM 1541 CB PRO A 504 -8.988 -4.283 -2.475 1.00 0.00 C ATOM 1542 CG PRO A 504 -9.814 -3.280 -3.204 1.00 0.00 C ATOM 1543 CD PRO A 504 -9.242 -1.935 -2.849 1.00 0.00 C ATOM 0 HA PRO A 504 -7.020 -3.926 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 504 -8.989 -5.245 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 504 -9.372 -4.457 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 504 -9.774 -3.449 -4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 504 -10.861 -3.349 -2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 504 -9.332 -1.229 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 504 -9.755 -1.493 -1.995 1.00 0.00 H new ATOM 1551 N ILE A 505 -5.777 -5.059 -3.273 1.00 0.00 N ATOM 1552 CA ILE A 505 -4.903 -5.638 -4.286 1.00 0.00 C ATOM 1553 C ILE A 505 -4.617 -7.106 -3.992 1.00 0.00 C ATOM 1554 O ILE A 505 -4.498 -7.508 -2.834 1.00 0.00 O ATOM 1555 CB ILE A 505 -3.569 -4.875 -4.381 1.00 0.00 C ATOM 1556 CG1 ILE A 505 -2.733 -5.408 -5.547 1.00 0.00 C ATOM 1557 CG2 ILE A 505 -2.798 -4.991 -3.074 1.00 0.00 C ATOM 1558 CD1 ILE A 505 -1.582 -4.503 -5.929 1.00 0.00 C ATOM 0 H ILE A 505 -5.581 -5.367 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 505 -5.427 -5.557 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 505 -3.782 -3.822 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 505 -2.340 -6.390 -5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 505 -3.379 -5.546 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 505 -1.857 -4.447 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 505 -3.391 -4.569 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 505 -2.592 -6.041 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 505 -1.034 -4.944 -6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 505 -1.969 -3.528 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 505 -0.913 -4.385 -5.076 1.00 0.00 H new ATOM 1570 N THR A 506 -4.505 -7.905 -5.049 1.00 0.00 N ATOM 1571 CA THR A 506 -4.232 -9.329 -4.904 1.00 0.00 C ATOM 1572 C THR A 506 -2.761 -9.578 -4.591 1.00 0.00 C ATOM 1573 O THR A 506 -1.874 -9.006 -5.226 1.00 0.00 O ATOM 1574 CB THR A 506 -4.612 -10.106 -6.179 1.00 0.00 C ATOM 1575 OG1 THR A 506 -4.188 -9.381 -7.339 1.00 0.00 O ATOM 1576 CG2 THR A 506 -6.113 -10.341 -6.242 1.00 0.00 C ATOM 0 H THR A 506 -4.599 -7.590 -6.014 1.00 0.00 H new ATOM 0 HA THR A 506 -4.843 -9.685 -4.074 1.00 0.00 H new ATOM 0 HB THR A 506 -4.110 -11.073 -6.152 1.00 0.00 H new ATOM 0 HG1 THR A 506 -4.432 -9.882 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 506 -6.357 -10.891 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 506 -6.428 -10.918 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 506 -6.631 -9.382 -6.248 1.00 0.00 H new ATOM 1584 N LYS A 507 -2.507 -10.435 -3.607 1.00 0.00 N ATOM 1585 CA LYS A 507 -1.143 -10.762 -3.210 1.00 0.00 C ATOM 1586 C LYS A 507 -0.229 -10.854 -4.428 1.00 0.00 C ATOM 1587 O LYS A 507 0.747 -10.112 -4.542 1.00 0.00 O ATOM 1588 CB LYS A 507 -1.117 -12.083 -2.438 1.00 0.00 C ATOM 1589 CG LYS A 507 -0.004 -12.164 -1.408 1.00 0.00 C ATOM 1590 CD LYS A 507 1.358 -12.303 -2.069 1.00 0.00 C ATOM 1591 CE LYS A 507 2.385 -12.889 -1.112 1.00 0.00 C ATOM 1592 NZ LYS A 507 2.767 -11.920 -0.047 1.00 0.00 N ATOM 0 H LYS A 507 -3.229 -10.916 -3.070 1.00 0.00 H new ATOM 0 HA LYS A 507 -0.778 -9.964 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -2.075 -12.220 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -1.007 -12.905 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -0.018 -11.270 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -0.178 -13.014 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 507 1.273 -12.941 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 507 1.697 -11.327 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 507 1.981 -13.792 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 507 3.274 -13.185 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 3.468 -12.357 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 3.176 -11.069 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 1.924 -11.657 0.502 1.00 0.00 H new ATOM 1606 N LYS A 508 -0.551 -11.769 -5.336 1.00 0.00 N ATOM 1607 CA LYS A 508 0.239 -11.957 -6.547 1.00 0.00 C ATOM 1608 C LYS A 508 0.546 -10.618 -7.209 1.00 0.00 C ATOM 1609 O LYS A 508 1.703 -10.302 -7.485 1.00 0.00 O ATOM 1610 CB LYS A 508 -0.504 -12.866 -7.529 1.00 0.00 C ATOM 1611 CG LYS A 508 0.417 -13.697 -8.405 1.00 0.00 C ATOM 1612 CD LYS A 508 -0.221 -15.022 -8.786 1.00 0.00 C ATOM 1613 CE LYS A 508 -0.321 -15.957 -7.590 1.00 0.00 C ATOM 1614 NZ LYS A 508 -1.606 -15.786 -6.858 1.00 0.00 N ATOM 0 H LYS A 508 -1.354 -12.392 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 508 1.181 -12.428 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -1.159 -13.534 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -1.142 -12.254 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 508 0.664 -13.138 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 508 1.353 -13.881 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -1.216 -14.844 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 508 0.366 -15.497 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -0.230 -16.989 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 508 0.511 -15.769 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -1.424 -15.342 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -2.244 -15.181 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -2.049 -16.716 -6.713 1.00 0.00 H new ATOM 1628 N GLY A 509 -0.498 -9.835 -7.462 1.00 0.00 N ATOM 1629 CA GLY A 509 -0.318 -8.538 -8.089 1.00 0.00 C ATOM 1630 C GLY A 509 0.504 -7.591 -7.238 1.00 0.00 C ATOM 1631 O GLY A 509 1.236 -6.752 -7.761 1.00 0.00 O ATOM 0 H GLY A 509 -1.465 -10.075 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 509 0.170 -8.670 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 509 -1.294 -8.093 -8.283 1.00 0.00 H new ATOM 1635 N MET A 510 0.383 -7.725 -5.921 1.00 0.00 N ATOM 1636 CA MET A 510 1.121 -6.873 -4.995 1.00 0.00 C ATOM 1637 C MET A 510 2.625 -7.054 -5.172 1.00 0.00 C ATOM 1638 O MET A 510 3.378 -6.080 -5.205 1.00 0.00 O ATOM 1639 CB MET A 510 0.723 -7.188 -3.552 1.00 0.00 C ATOM 1640 CG MET A 510 1.384 -6.279 -2.528 1.00 0.00 C ATOM 1641 SD MET A 510 1.250 -6.915 -0.846 1.00 0.00 S ATOM 1642 CE MET A 510 2.307 -8.358 -0.945 1.00 0.00 C ATOM 0 H MET A 510 -0.219 -8.415 -5.471 1.00 0.00 H new ATOM 0 HA MET A 510 0.870 -5.835 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 510 -0.359 -7.104 -3.456 1.00 0.00 H new ATOM 0 HB3 MET A 510 0.983 -8.223 -3.329 1.00 0.00 H new ATOM 0 HG2 MET A 510 2.437 -6.156 -2.783 1.00 0.00 H new ATOM 0 HG3 MET A 510 0.927 -5.291 -2.576 1.00 0.00 H new ATOM 0 HE1 MET A 510 2.658 -8.621 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 510 1.745 -9.193 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 510 3.162 -8.139 -1.584 1.00 0.00 H new ATOM 1652 N LEU A 511 3.056 -8.306 -5.285 1.00 0.00 N ATOM 1653 CA LEU A 511 4.472 -8.614 -5.458 1.00 0.00 C ATOM 1654 C LEU A 511 4.969 -8.141 -6.820 1.00 0.00 C ATOM 1655 O LEU A 511 6.091 -7.650 -6.945 1.00 0.00 O ATOM 1656 CB LEU A 511 4.708 -10.118 -5.310 1.00 0.00 C ATOM 1657 CG LEU A 511 4.527 -10.690 -3.903 1.00 0.00 C ATOM 1658 CD1 LEU A 511 4.386 -12.204 -3.957 1.00 0.00 C ATOM 1659 CD2 LEU A 511 5.695 -10.293 -3.012 1.00 0.00 C ATOM 0 H LEU A 511 2.446 -9.123 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 511 5.031 -8.087 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 511 4.028 -10.640 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.721 -10.341 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 511 3.613 -10.275 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.258 -12.594 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.517 -12.467 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.282 -12.637 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 511 5.550 -10.708 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 511 6.623 -10.679 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 511 5.751 -9.206 -2.948 1.00 0.00 H new ATOM 1671 N GLU A 512 4.127 -8.292 -7.837 1.00 0.00 N ATOM 1672 CA GLU A 512 4.482 -7.879 -9.190 1.00 0.00 C ATOM 1673 C GLU A 512 5.193 -6.529 -9.178 1.00 0.00 C ATOM 1674 O GLU A 512 6.280 -6.382 -9.738 1.00 0.00 O ATOM 1675 CB GLU A 512 3.231 -7.801 -10.068 1.00 0.00 C ATOM 1676 CG GLU A 512 2.616 -9.156 -10.374 1.00 0.00 C ATOM 1677 CD GLU A 512 3.392 -9.926 -11.424 1.00 0.00 C ATOM 1678 OE1 GLU A 512 4.610 -9.683 -11.560 1.00 0.00 O ATOM 1679 OE2 GLU A 512 2.782 -10.771 -12.111 1.00 0.00 O ATOM 0 H GLU A 512 3.195 -8.697 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 512 5.161 -8.624 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 512 2.487 -7.178 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 512 3.486 -7.307 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 512 2.569 -9.745 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 512 1.590 -9.016 -10.716 1.00 0.00 H new ATOM 1686 N LYS A 513 4.572 -5.546 -8.535 1.00 0.00 N ATOM 1687 CA LYS A 513 5.144 -4.208 -8.448 1.00 0.00 C ATOM 1688 C LYS A 513 6.414 -4.212 -7.602 1.00 0.00 C ATOM 1689 O LYS A 513 7.466 -3.749 -8.043 1.00 0.00 O ATOM 1690 CB LYS A 513 4.126 -3.233 -7.853 1.00 0.00 C ATOM 1691 CG LYS A 513 2.830 -3.151 -8.641 1.00 0.00 C ATOM 1692 CD LYS A 513 1.733 -2.467 -7.842 1.00 0.00 C ATOM 1693 CE LYS A 513 0.352 -2.876 -8.328 1.00 0.00 C ATOM 1694 NZ LYS A 513 -0.125 -2.008 -9.440 1.00 0.00 N ATOM 0 H LYS A 513 3.672 -5.651 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 513 5.401 -3.885 -9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 513 3.901 -3.535 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 513 4.573 -2.240 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 513 3.001 -2.604 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 513 2.508 -4.155 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.838 -2.720 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 513 1.843 -1.386 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 513 0.377 -3.913 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 513 -0.354 -2.825 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -1.070 -2.320 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 -0.174 -1.022 -9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 0.535 -2.076 -10.241 1.00 0.00 H new ATOM 1708 N ILE A 514 6.308 -4.740 -6.387 1.00 0.00 N ATOM 1709 CA ILE A 514 7.448 -4.807 -5.482 1.00 0.00 C ATOM 1710 C ILE A 514 8.694 -5.308 -6.204 1.00 0.00 C ATOM 1711 O ILE A 514 9.819 -4.991 -5.815 1.00 0.00 O ATOM 1712 CB ILE A 514 7.160 -5.727 -4.281 1.00 0.00 C ATOM 1713 CG1 ILE A 514 5.934 -5.230 -3.512 1.00 0.00 C ATOM 1714 CG2 ILE A 514 8.373 -5.799 -3.366 1.00 0.00 C ATOM 1715 CD1 ILE A 514 5.341 -6.267 -2.584 1.00 0.00 C ATOM 0 H ILE A 514 5.444 -5.127 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 514 7.623 -3.794 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 514 6.950 -6.730 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 514 6.212 -4.351 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 514 5.172 -4.914 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 514 8.154 -6.453 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 514 9.224 -6.195 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 514 8.612 -4.801 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 514 4.476 -5.845 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 514 5.032 -7.138 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 514 6.087 -6.566 -1.848 1.00 0.00 H new ATOM 1727 N ASP A 515 8.487 -6.089 -7.258 1.00 0.00 N ATOM 1728 CA ASP A 515 9.594 -6.631 -8.037 1.00 0.00 C ATOM 1729 C ASP A 515 10.187 -5.565 -8.953 1.00 0.00 C ATOM 1730 O ASP A 515 11.396 -5.335 -8.952 1.00 0.00 O ATOM 1731 CB ASP A 515 9.125 -7.829 -8.864 1.00 0.00 C ATOM 1732 CG ASP A 515 10.251 -8.795 -9.176 1.00 0.00 C ATOM 1733 OD1 ASP A 515 10.886 -9.294 -8.223 1.00 0.00 O ATOM 1734 OD2 ASP A 515 10.498 -9.051 -10.373 1.00 0.00 O ATOM 0 H ASP A 515 7.563 -6.361 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 515 10.368 -6.959 -7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 515 8.339 -8.355 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 515 8.687 -7.474 -9.796 1.00 0.00 H new ATOM 1739 N MET A 516 9.328 -4.919 -9.735 1.00 0.00 N ATOM 1740 CA MET A 516 9.767 -3.878 -10.656 1.00 0.00 C ATOM 1741 C MET A 516 10.383 -2.706 -9.898 1.00 0.00 C ATOM 1742 O MET A 516 11.293 -2.043 -10.396 1.00 0.00 O ATOM 1743 CB MET A 516 8.592 -3.390 -11.506 1.00 0.00 C ATOM 1744 CG MET A 516 7.675 -2.423 -10.776 1.00 0.00 C ATOM 1745 SD MET A 516 6.582 -1.524 -11.894 1.00 0.00 S ATOM 1746 CE MET A 516 5.385 -0.862 -10.737 1.00 0.00 C ATOM 0 H MET A 516 8.324 -5.098 -9.749 1.00 0.00 H new ATOM 0 HA MET A 516 10.527 -4.304 -11.311 1.00 0.00 H new ATOM 0 HB2 MET A 516 8.979 -2.905 -12.402 1.00 0.00 H new ATOM 0 HB3 MET A 516 8.010 -4.251 -11.836 1.00 0.00 H new ATOM 0 HG2 MET A 516 7.075 -2.974 -10.052 1.00 0.00 H new ATOM 0 HG3 MET A 516 8.278 -1.711 -10.213 1.00 0.00 H new ATOM 0 HE1 MET A 516 4.379 -1.116 -11.070 1.00 0.00 H new ATOM 0 HE2 MET A 516 5.559 -1.289 -9.749 1.00 0.00 H new ATOM 0 HE3 MET A 516 5.488 0.222 -10.687 1.00 0.00 H new ATOM 1756 N ILE A 517 9.880 -2.457 -8.694 1.00 0.00 N ATOM 1757 CA ILE A 517 10.382 -1.365 -7.868 1.00 0.00 C ATOM 1758 C ILE A 517 11.808 -1.639 -7.402 1.00 0.00 C ATOM 1759 O ILE A 517 12.657 -0.748 -7.411 1.00 0.00 O ATOM 1760 CB ILE A 517 9.487 -1.133 -6.637 1.00 0.00 C ATOM 1761 CG1 ILE A 517 8.075 -0.735 -7.073 1.00 0.00 C ATOM 1762 CG2 ILE A 517 10.090 -0.065 -5.737 1.00 0.00 C ATOM 1763 CD1 ILE A 517 7.017 -1.024 -6.031 1.00 0.00 C ATOM 0 H ILE A 517 9.126 -2.996 -8.268 1.00 0.00 H new ATOM 0 HA ILE A 517 10.371 -0.469 -8.489 1.00 0.00 H new ATOM 0 HB ILE A 517 9.424 -2.063 -6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 517 8.062 0.330 -7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 517 7.824 -1.266 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 517 9.446 0.088 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 517 11.077 -0.385 -5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 517 10.180 0.869 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 517 6.042 -0.717 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 517 7.002 -2.092 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 517 7.244 -0.472 -5.119 1.00 0.00 H new ATOM 1775 N ARG A 518 12.064 -2.879 -6.996 1.00 0.00 N ATOM 1776 CA ARG A 518 13.387 -3.271 -6.526 1.00 0.00 C ATOM 1777 C ARG A 518 14.418 -3.152 -7.645 1.00 0.00 C ATOM 1778 O ARG A 518 15.543 -2.706 -7.422 1.00 0.00 O ATOM 1779 CB ARG A 518 13.358 -4.705 -5.995 1.00 0.00 C ATOM 1780 CG ARG A 518 12.892 -4.811 -4.552 1.00 0.00 C ATOM 1781 CD ARG A 518 12.374 -6.205 -4.234 1.00 0.00 C ATOM 1782 NE ARG A 518 13.435 -7.087 -3.756 1.00 0.00 N ATOM 1783 CZ ARG A 518 13.256 -8.376 -3.492 1.00 0.00 C ATOM 1784 NH1 ARG A 518 12.063 -8.931 -3.660 1.00 0.00 N ATOM 1785 NH2 ARG A 518 14.271 -9.114 -3.060 1.00 0.00 N ATOM 0 H ARG A 518 11.373 -3.629 -6.983 1.00 0.00 H new ATOM 0 HA ARG A 518 13.673 -2.597 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 518 12.700 -5.304 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 518 14.356 -5.134 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 518 13.718 -4.567 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 518 12.106 -4.079 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 518 11.591 -6.137 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 518 11.919 -6.635 -5.126 1.00 0.00 H new ATOM 0 HE ARG A 518 14.365 -6.691 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 518 11.281 -8.367 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 518 11.928 -9.921 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 518 15.190 -8.691 -2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 518 14.132 -10.104 -2.858 1.00 0.00 H new