USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 689 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 526 ASN : amide:sc= -2.14 K(o=-9.9,f=-11!) USER MOD Set 1.2: A 529 LYS NZ :NH3+ -163:sc= -7.75! (180deg=-8.26!) USER MOD Set 2.1: A 481 ASN : amide:sc= 1.26 K(o=0.73,f=-2!) USER MOD Set 2.2: A 527 CYS SG : rot 76:sc= -0.525 USER MOD Set 3.1: A 473 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 474 CYS SG : rot 53:sc= -1.01 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= 0.223 X(o=0.22,f=-0.063) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 471 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 486 ASN : amide:sc= -12.4! C(o=-12!,f=-12!) USER MOD Single : A 489 ASN : amide:sc= -12! K(o=-12!,f=0.8) USER MOD Single : A 490 LYS NZ :NH3+ 163:sc= -0.0183 (180deg=-0.35) USER MOD Single : A 491 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.24) USER MOD Single : A 493 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-7.7!) USER MOD Single : A 501 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.1) USER MOD Single : A 505 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.65) USER MOD Single : A 512 THR OG1 : rot 180:sc=0.000949 USER MOD Single : A 516 LYS NZ :NH3+ -119:sc= -5! (180deg=-9.46!) USER MOD Single : A 518 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 522 ASN : amide:sc= -8.29! C(o=-8.3!,f=-1.3!) USER MOD Single : A 525 LYS NZ :NH3+ -107:sc= -0.507 (180deg=-1.91!) USER MOD Single : A 533 SER OG : rot -10:sc= 0.812 USER MOD Single : A 534 THR OG1 : rot 180:sc= 0 USER MOD Single : A 536 TYR OH : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ -130:sc= -0.739 (180deg=-2.21!) USER MOD Single : A 538 ASN : amide:sc= -2.42! K(o=-2.4!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N ASP A 456 5.044 14.619 11.629 1.00 0.00 N ATOM 386 CA ASP A 456 3.611 14.840 11.476 1.00 0.00 C ATOM 387 C ASP A 456 3.036 13.919 10.405 1.00 0.00 C ATOM 388 O ASP A 456 1.888 13.492 10.495 1.00 0.00 O ATOM 389 CB ASP A 456 3.344 16.298 11.098 1.00 0.00 C ATOM 390 CG ASP A 456 4.095 16.650 9.819 1.00 0.00 C ATOM 391 OD1 ASP A 456 4.862 15.823 9.358 1.00 0.00 O ATOM 392 OD2 ASP A 456 3.893 17.745 9.321 1.00 0.00 O ATOM 0 HA ASP A 456 3.126 14.618 12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 456 2.275 16.456 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 456 3.659 16.956 11.908 1.00 0.00 H new ATOM 397 N ASP A 457 3.843 13.618 9.394 1.00 0.00 N ATOM 398 CA ASP A 457 3.403 12.749 8.308 1.00 0.00 C ATOM 399 C ASP A 457 2.719 11.503 8.858 1.00 0.00 C ATOM 400 O ASP A 457 1.737 11.025 8.292 1.00 0.00 O ATOM 401 CB ASP A 457 4.605 12.341 7.455 1.00 0.00 C ATOM 402 CG ASP A 457 5.141 13.548 6.695 1.00 0.00 C ATOM 403 OD1 ASP A 457 4.422 14.530 6.599 1.00 0.00 O ATOM 404 OD2 ASP A 457 6.265 13.477 6.226 1.00 0.00 O ATOM 0 H ASP A 457 4.800 13.960 9.303 1.00 0.00 H new ATOM 0 HA ASP A 457 2.687 13.296 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.387 11.925 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 457 4.314 11.559 6.753 1.00 0.00 H new ATOM 409 N LEU A 458 3.232 10.985 9.970 1.00 0.00 N ATOM 410 CA LEU A 458 2.644 9.799 10.579 1.00 0.00 C ATOM 411 C LEU A 458 1.203 10.091 10.985 1.00 0.00 C ATOM 412 O LEU A 458 0.312 9.265 10.781 1.00 0.00 O ATOM 413 CB LEU A 458 3.468 9.368 11.803 1.00 0.00 C ATOM 414 CG LEU A 458 2.809 8.170 12.505 1.00 0.00 C ATOM 415 CD1 LEU A 458 2.655 6.997 11.524 1.00 0.00 C ATOM 416 CD2 LEU A 458 3.685 7.740 13.685 1.00 0.00 C ATOM 0 H LEU A 458 4.042 11.362 10.461 1.00 0.00 H new ATOM 0 HA LEU A 458 2.650 8.984 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 458 4.479 9.103 11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 458 3.556 10.201 12.500 1.00 0.00 H new ATOM 0 HG LEU A 458 1.821 8.460 12.861 1.00 0.00 H new ATOM 0 HD11 LEU A 458 2.187 6.155 12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 458 2.032 7.304 10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 458 3.637 6.698 11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 458 3.225 6.890 14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 458 4.672 7.455 13.321 1.00 0.00 H new ATOM 0 HD23 LEU A 458 3.783 8.569 14.387 1.00 0.00 H new ATOM 428 N SER A 459 0.979 11.275 11.551 1.00 0.00 N ATOM 429 CA SER A 459 -0.359 11.669 11.977 1.00 0.00 C ATOM 430 C SER A 459 -1.305 11.712 10.779 1.00 0.00 C ATOM 431 O SER A 459 -2.441 11.248 10.858 1.00 0.00 O ATOM 432 CB SER A 459 -0.312 13.045 12.640 1.00 0.00 C ATOM 433 OG SER A 459 -1.615 13.394 13.091 1.00 0.00 O ATOM 0 H SER A 459 1.702 11.973 11.724 1.00 0.00 H new ATOM 0 HA SER A 459 -0.726 10.934 12.694 1.00 0.00 H new ATOM 0 HB2 SER A 459 0.385 13.034 13.478 1.00 0.00 H new ATOM 0 HB3 SER A 459 0.052 13.790 11.933 1.00 0.00 H new ATOM 0 HG SER A 459 -1.588 14.276 13.518 1.00 0.00 H new ATOM 439 N LEU A 460 -0.825 12.273 9.670 1.00 0.00 N ATOM 440 CA LEU A 460 -1.635 12.370 8.458 1.00 0.00 C ATOM 441 C LEU A 460 -2.005 10.977 7.955 1.00 0.00 C ATOM 442 O LEU A 460 -3.140 10.737 7.547 1.00 0.00 O ATOM 443 CB LEU A 460 -0.858 13.141 7.371 1.00 0.00 C ATOM 444 CG LEU A 460 -1.041 14.663 7.548 1.00 0.00 C ATOM 445 CD1 LEU A 460 -2.493 15.080 7.231 1.00 0.00 C ATOM 446 CD2 LEU A 460 -0.687 15.054 8.988 1.00 0.00 C ATOM 0 H LEU A 460 0.113 12.664 9.586 1.00 0.00 H new ATOM 0 HA LEU A 460 -2.554 12.910 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 460 0.201 12.888 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 460 -1.208 12.840 6.384 1.00 0.00 H new ATOM 0 HG LEU A 460 -0.378 15.180 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 460 -2.599 16.157 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 460 -2.731 14.815 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 460 -3.176 14.563 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 460 -0.816 16.129 9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 460 -1.343 14.526 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 460 0.349 14.786 9.194 1.00 0.00 H new ATOM 458 N ILE A 461 -1.044 10.060 7.996 1.00 0.00 N ATOM 459 CA ILE A 461 -1.287 8.694 7.550 1.00 0.00 C ATOM 460 C ILE A 461 -2.340 8.039 8.440 1.00 0.00 C ATOM 461 O ILE A 461 -3.234 7.347 7.956 1.00 0.00 O ATOM 462 CB ILE A 461 0.015 7.885 7.593 1.00 0.00 C ATOM 463 CG1 ILE A 461 0.989 8.429 6.543 1.00 0.00 C ATOM 464 CG2 ILE A 461 -0.283 6.416 7.286 1.00 0.00 C ATOM 465 CD1 ILE A 461 2.381 7.825 6.767 1.00 0.00 C ATOM 0 H ILE A 461 -0.097 10.236 8.331 1.00 0.00 H new ATOM 0 HA ILE A 461 -1.652 8.716 6.523 1.00 0.00 H new ATOM 0 HB ILE A 461 0.458 7.969 8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 461 0.633 8.185 5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 461 1.039 9.516 6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 461 0.643 5.843 7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 461 -0.978 6.023 8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 461 -0.727 6.334 6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 461 3.071 8.214 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 461 2.737 8.091 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 461 2.325 6.740 6.680 1.00 0.00 H new ATOM 477 N ARG A 462 -2.222 8.259 9.746 1.00 0.00 N ATOM 478 CA ARG A 462 -3.166 7.682 10.696 1.00 0.00 C ATOM 479 C ARG A 462 -4.588 8.184 10.425 1.00 0.00 C ATOM 480 O ARG A 462 -5.547 7.413 10.454 1.00 0.00 O ATOM 481 CB ARG A 462 -2.757 8.045 12.128 1.00 0.00 C ATOM 482 CG ARG A 462 -3.693 7.351 13.125 1.00 0.00 C ATOM 483 CD ARG A 462 -3.293 7.725 14.554 1.00 0.00 C ATOM 484 NE ARG A 462 -4.117 6.993 15.514 1.00 0.00 N ATOM 485 CZ ARG A 462 -3.774 5.783 15.949 1.00 0.00 C ATOM 486 NH1 ARG A 462 -2.679 5.217 15.515 1.00 0.00 N ATOM 487 NH2 ARG A 462 -4.532 5.157 16.806 1.00 0.00 N ATOM 0 H ARG A 462 -1.488 8.828 10.168 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.150 6.599 10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.726 7.741 12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.800 9.125 12.266 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -4.725 7.647 12.937 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.643 6.270 12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.240 7.495 14.717 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -3.412 8.798 14.704 1.00 0.00 H new ATOM 0 HE ARG A 462 -4.976 7.420 15.859 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -2.086 5.703 14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -2.417 4.290 15.849 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -5.389 5.595 17.144 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.268 4.230 17.138 1.00 0.00 H new ATOM 501 N LYS A 463 -4.718 9.484 10.169 1.00 0.00 N ATOM 502 CA LYS A 463 -6.028 10.079 9.902 1.00 0.00 C ATOM 503 C LYS A 463 -6.643 9.530 8.615 1.00 0.00 C ATOM 504 O LYS A 463 -7.841 9.256 8.556 1.00 0.00 O ATOM 505 CB LYS A 463 -5.893 11.608 9.799 1.00 0.00 C ATOM 506 CG LYS A 463 -5.410 12.199 11.145 1.00 0.00 C ATOM 507 CD LYS A 463 -6.597 12.372 12.109 1.00 0.00 C ATOM 508 CE LYS A 463 -6.114 12.983 13.425 1.00 0.00 C ATOM 509 NZ LYS A 463 -7.268 13.124 14.358 1.00 0.00 N ATOM 0 H LYS A 463 -3.939 10.142 10.141 1.00 0.00 H new ATOM 0 HA LYS A 463 -6.689 9.819 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -5.188 11.865 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.853 12.047 9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -4.663 11.542 11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -4.927 13.161 10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -7.354 13.013 11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -7.068 11.407 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.346 12.352 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -5.659 13.957 13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -6.941 13.539 15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -7.986 13.743 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -7.683 12.188 14.541 1.00 0.00 H new ATOM 523 N ASN A 464 -5.818 9.376 7.583 1.00 0.00 N ATOM 524 CA ASN A 464 -6.296 8.862 6.300 1.00 0.00 C ATOM 525 C ASN A 464 -6.252 7.340 6.281 1.00 0.00 C ATOM 526 O ASN A 464 -6.523 6.714 5.257 1.00 0.00 O ATOM 527 CB ASN A 464 -5.426 9.415 5.169 1.00 0.00 C ATOM 528 CG ASN A 464 -5.654 10.915 5.026 1.00 0.00 C ATOM 529 OD1 ASN A 464 -6.675 11.340 4.486 1.00 0.00 O ATOM 530 ND2 ASN A 464 -4.759 11.749 5.483 1.00 0.00 N ATOM 0 H ASN A 464 -4.823 9.597 7.608 1.00 0.00 H new ATOM 0 HA ASN A 464 -7.328 9.182 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -4.375 9.216 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -5.667 8.911 4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -4.906 12.754 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.913 11.395 5.930 1.00 0.00 H new ATOM 537 N ARG A 465 -5.916 6.751 7.419 1.00 0.00 N ATOM 538 CA ARG A 465 -5.842 5.300 7.519 1.00 0.00 C ATOM 539 C ARG A 465 -7.190 4.666 7.193 1.00 0.00 C ATOM 540 O ARG A 465 -7.258 3.687 6.451 1.00 0.00 O ATOM 541 CB ARG A 465 -5.422 4.903 8.937 1.00 0.00 C ATOM 542 CG ARG A 465 -5.258 3.384 9.027 1.00 0.00 C ATOM 543 CD ARG A 465 -4.791 3.003 10.434 1.00 0.00 C ATOM 544 NE ARG A 465 -5.809 3.365 11.419 1.00 0.00 N ATOM 545 CZ ARG A 465 -6.798 2.530 11.732 1.00 0.00 C ATOM 546 NH1 ARG A 465 -6.881 1.364 11.152 1.00 0.00 N ATOM 547 NH2 ARG A 465 -7.687 2.880 12.621 1.00 0.00 N ATOM 0 H ARG A 465 -5.692 7.250 8.280 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.105 4.941 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -4.485 5.395 9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.170 5.240 9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.204 2.891 8.800 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -4.535 3.041 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -4.593 1.932 10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -3.855 3.511 10.664 1.00 0.00 H new ATOM 0 HE ARG A 465 -5.761 4.276 11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -6.187 1.090 10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -7.640 0.727 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -7.623 3.791 13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.445 2.242 12.862 1.00 0.00 H new ATOM 561 N MET A 466 -8.259 5.224 7.752 1.00 0.00 N ATOM 562 CA MET A 466 -9.597 4.696 7.506 1.00 0.00 C ATOM 563 C MET A 466 -9.989 4.891 6.044 1.00 0.00 C ATOM 564 O MET A 466 -10.611 4.022 5.440 1.00 0.00 O ATOM 565 CB MET A 466 -10.616 5.391 8.421 1.00 0.00 C ATOM 566 CG MET A 466 -12.021 4.807 8.205 1.00 0.00 C ATOM 567 SD MET A 466 -12.028 3.049 8.654 1.00 0.00 S ATOM 568 CE MET A 466 -12.840 3.207 10.265 1.00 0.00 C ATOM 0 H MET A 466 -8.227 6.033 8.372 1.00 0.00 H new ATOM 0 HA MET A 466 -9.593 3.628 7.725 1.00 0.00 H new ATOM 0 HB2 MET A 466 -10.321 5.268 9.463 1.00 0.00 H new ATOM 0 HB3 MET A 466 -10.626 6.462 8.217 1.00 0.00 H new ATOM 0 HG2 MET A 466 -12.748 5.350 8.810 1.00 0.00 H new ATOM 0 HG3 MET A 466 -12.319 4.927 7.164 1.00 0.00 H new ATOM 0 HE1 MET A 466 -12.943 2.221 10.719 1.00 0.00 H new ATOM 0 HE2 MET A 466 -12.239 3.844 10.914 1.00 0.00 H new ATOM 0 HE3 MET A 466 -13.827 3.651 10.133 1.00 0.00 H new ATOM 578 N ALA A 467 -9.634 6.040 5.482 1.00 0.00 N ATOM 579 CA ALA A 467 -9.967 6.327 4.093 1.00 0.00 C ATOM 580 C ALA A 467 -9.379 5.262 3.170 1.00 0.00 C ATOM 581 O ALA A 467 -10.074 4.727 2.308 1.00 0.00 O ATOM 582 CB ALA A 467 -9.421 7.701 3.697 1.00 0.00 C ATOM 0 H ALA A 467 -9.121 6.781 5.961 1.00 0.00 H new ATOM 0 HA ALA A 467 -11.052 6.323 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 467 -9.674 7.907 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 467 -9.862 8.466 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 467 -8.337 7.710 3.815 1.00 0.00 H new ATOM 588 N LEU A 468 -8.097 4.956 3.356 1.00 0.00 N ATOM 589 CA LEU A 468 -7.444 3.946 2.525 1.00 0.00 C ATOM 590 C LEU A 468 -8.114 2.583 2.728 1.00 0.00 C ATOM 591 O LEU A 468 -8.398 1.874 1.763 1.00 0.00 O ATOM 592 CB LEU A 468 -5.938 3.856 2.881 1.00 0.00 C ATOM 593 CG LEU A 468 -5.113 4.861 2.053 1.00 0.00 C ATOM 594 CD1 LEU A 468 -5.409 6.297 2.495 1.00 0.00 C ATOM 595 CD2 LEU A 468 -3.624 4.581 2.246 1.00 0.00 C ATOM 0 H LEU A 468 -7.498 5.384 4.062 1.00 0.00 H new ATOM 0 HA LEU A 468 -7.542 4.235 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -5.799 4.055 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -5.577 2.844 2.696 1.00 0.00 H new ATOM 0 HG LEU A 468 -5.385 4.748 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -4.817 6.991 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -6.469 6.510 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -5.153 6.414 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.041 5.292 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -3.368 4.684 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.399 3.567 1.915 1.00 0.00 H new ATOM 607 N PHE A 469 -8.373 2.229 3.984 1.00 0.00 N ATOM 608 CA PHE A 469 -9.020 0.957 4.290 1.00 0.00 C ATOM 609 C PHE A 469 -10.424 0.927 3.698 1.00 0.00 C ATOM 610 O PHE A 469 -10.824 -0.052 3.072 1.00 0.00 O ATOM 611 CB PHE A 469 -9.079 0.747 5.808 1.00 0.00 C ATOM 612 CG PHE A 469 -9.907 -0.480 6.127 1.00 0.00 C ATOM 613 CD1 PHE A 469 -9.441 -1.753 5.769 1.00 0.00 C ATOM 614 CD2 PHE A 469 -11.137 -0.346 6.781 1.00 0.00 C ATOM 615 CE1 PHE A 469 -10.211 -2.887 6.062 1.00 0.00 C ATOM 616 CE2 PHE A 469 -11.905 -1.478 7.074 1.00 0.00 C ATOM 617 CZ PHE A 469 -11.442 -2.749 6.715 1.00 0.00 C ATOM 0 H PHE A 469 -8.147 2.799 4.799 1.00 0.00 H new ATOM 0 HA PHE A 469 -8.437 0.150 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 469 -8.071 0.630 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 469 -9.513 1.624 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 469 -8.490 -1.860 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 469 -11.494 0.634 7.060 1.00 0.00 H new ATOM 0 HE1 PHE A 469 -9.855 -3.868 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 469 -12.855 -1.371 7.577 1.00 0.00 H new ATOM 0 HZ PHE A 469 -12.034 -3.623 6.942 1.00 0.00 H new ATOM 627 N GLN A 470 -11.166 2.006 3.907 1.00 0.00 N ATOM 628 CA GLN A 470 -12.526 2.105 3.395 1.00 0.00 C ATOM 629 C GLN A 470 -12.519 2.214 1.873 1.00 0.00 C ATOM 630 O GLN A 470 -13.410 1.695 1.200 1.00 0.00 O ATOM 631 CB GLN A 470 -13.225 3.327 3.999 1.00 0.00 C ATOM 632 CG GLN A 470 -14.615 3.481 3.378 1.00 0.00 C ATOM 633 CD GLN A 470 -15.429 4.510 4.157 1.00 0.00 C ATOM 634 OE1 GLN A 470 -15.940 4.210 5.236 1.00 0.00 O ATOM 635 NE2 GLN A 470 -15.584 5.711 3.671 1.00 0.00 N ATOM 0 H GLN A 470 -10.849 2.824 4.427 1.00 0.00 H new ATOM 0 HA GLN A 470 -13.069 1.203 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 470 -13.309 3.214 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 470 -12.633 4.224 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 470 -14.524 3.791 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 470 -15.131 2.521 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 470 -15.160 5.958 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 470 -16.129 6.403 4.185 1.00 0.00 H new ATOM 644 N GLN A 471 -11.519 2.911 1.340 1.00 0.00 N ATOM 645 CA GLN A 471 -11.405 3.116 -0.105 1.00 0.00 C ATOM 646 C GLN A 471 -10.143 2.442 -0.632 1.00 0.00 C ATOM 647 O GLN A 471 -9.203 3.112 -1.059 1.00 0.00 O ATOM 648 CB GLN A 471 -11.343 4.622 -0.402 1.00 0.00 C ATOM 649 CG GLN A 471 -12.548 5.336 0.239 1.00 0.00 C ATOM 650 CD GLN A 471 -12.236 6.816 0.443 1.00 0.00 C ATOM 651 OE1 GLN A 471 -11.691 7.469 -0.447 1.00 0.00 O ATOM 652 NE2 GLN A 471 -12.546 7.383 1.578 1.00 0.00 N ATOM 0 H GLN A 471 -10.774 3.345 1.886 1.00 0.00 H new ATOM 0 HA GLN A 471 -12.273 2.678 -0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 471 -10.414 5.040 -0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 471 -11.342 4.789 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 471 -13.426 5.226 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 471 -12.788 4.872 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 471 -12.998 6.839 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 471 -12.337 8.370 1.729 1.00 0.00 H new ATOM 661 N LEU A 472 -10.132 1.110 -0.600 1.00 0.00 N ATOM 662 CA LEU A 472 -8.984 0.338 -1.075 1.00 0.00 C ATOM 663 C LEU A 472 -9.172 -0.062 -2.538 1.00 0.00 C ATOM 664 O LEU A 472 -10.197 -0.631 -2.910 1.00 0.00 O ATOM 665 CB LEU A 472 -8.827 -0.923 -0.206 1.00 0.00 C ATOM 666 CG LEU A 472 -10.041 -1.877 -0.414 1.00 0.00 C ATOM 667 CD1 LEU A 472 -9.679 -3.001 -1.411 1.00 0.00 C ATOM 668 CD2 LEU A 472 -10.451 -2.513 0.926 1.00 0.00 C ATOM 0 H LEU A 472 -10.905 0.543 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 472 -8.087 0.953 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.902 -1.438 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -8.752 -0.642 0.845 1.00 0.00 H new ATOM 0 HG LEU A 472 -10.869 -1.291 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -10.538 -3.659 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -9.405 -2.562 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -8.839 -3.576 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -11.300 -3.178 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -9.614 -3.083 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -10.729 -1.729 1.631 1.00 0.00 H new ATOM 680 N THR A 473 -8.176 0.240 -3.371 1.00 0.00 N ATOM 681 CA THR A 473 -8.243 -0.096 -4.795 1.00 0.00 C ATOM 682 C THR A 473 -6.881 -0.564 -5.304 1.00 0.00 C ATOM 683 O THR A 473 -6.733 -0.919 -6.472 1.00 0.00 O ATOM 684 CB THR A 473 -8.695 1.131 -5.593 1.00 0.00 C ATOM 685 OG1 THR A 473 -7.704 2.145 -5.493 1.00 0.00 O ATOM 686 CG2 THR A 473 -10.017 1.649 -5.025 1.00 0.00 C ATOM 0 H THR A 473 -7.318 0.714 -3.088 1.00 0.00 H new ATOM 0 HA THR A 473 -8.961 -0.905 -4.927 1.00 0.00 H new ATOM 0 HB THR A 473 -8.834 0.858 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 473 -7.988 2.932 -6.004 1.00 0.00 H new ATOM 0 HG21 THR A 473 -10.339 2.522 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 473 -10.775 0.869 -5.098 1.00 0.00 H new ATOM 0 HG23 THR A 473 -9.880 1.926 -3.980 1.00 0.00 H new ATOM 694 N CYS A 474 -5.889 -0.559 -4.415 1.00 0.00 N ATOM 695 CA CYS A 474 -4.536 -0.981 -4.777 1.00 0.00 C ATOM 696 C CYS A 474 -3.814 -1.566 -3.567 1.00 0.00 C ATOM 697 O CYS A 474 -3.092 -0.860 -2.862 1.00 0.00 O ATOM 698 CB CYS A 474 -3.748 0.218 -5.311 1.00 0.00 C ATOM 699 SG CYS A 474 -3.999 1.639 -4.218 1.00 0.00 S ATOM 0 H CYS A 474 -5.995 -0.269 -3.443 1.00 0.00 H new ATOM 0 HA CYS A 474 -4.606 -1.748 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 474 -2.687 -0.027 -5.369 1.00 0.00 H new ATOM 0 HB3 CYS A 474 -4.075 0.461 -6.322 1.00 0.00 H new ATOM 0 HG CYS A 474 -3.730 1.297 -2.993 1.00 0.00 H new ATOM 705 N VAL A 475 -4.014 -2.863 -3.329 1.00 0.00 N ATOM 706 CA VAL A 475 -3.374 -3.545 -2.197 1.00 0.00 C ATOM 707 C VAL A 475 -2.328 -4.544 -2.693 1.00 0.00 C ATOM 708 O VAL A 475 -1.563 -5.101 -1.908 1.00 0.00 O ATOM 709 CB VAL A 475 -4.434 -4.278 -1.366 1.00 0.00 C ATOM 710 CG1 VAL A 475 -3.834 -4.701 -0.022 1.00 0.00 C ATOM 711 CG2 VAL A 475 -5.617 -3.340 -1.119 1.00 0.00 C ATOM 0 H VAL A 475 -4.610 -3.462 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 475 -2.878 -2.798 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 475 -4.770 -5.163 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 475 -4.590 -5.222 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 475 -2.987 -5.365 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 475 -3.497 -3.817 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 475 -6.374 -3.856 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 475 -5.275 -2.457 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 475 -6.047 -3.037 -2.074 1.00 0.00 H new ATOM 721 N LEU A 476 -2.299 -4.758 -4.005 1.00 0.00 N ATOM 722 CA LEU A 476 -1.342 -5.688 -4.607 1.00 0.00 C ATOM 723 C LEU A 476 0.033 -5.030 -4.806 1.00 0.00 C ATOM 724 O LEU A 476 1.024 -5.491 -4.238 1.00 0.00 O ATOM 725 CB LEU A 476 -1.895 -6.202 -5.955 1.00 0.00 C ATOM 726 CG LEU A 476 -2.765 -7.459 -5.749 1.00 0.00 C ATOM 727 CD1 LEU A 476 -1.899 -8.653 -5.284 1.00 0.00 C ATOM 728 CD2 LEU A 476 -3.854 -7.160 -4.704 1.00 0.00 C ATOM 0 H LEU A 476 -2.923 -4.303 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 476 -1.207 -6.529 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -2.486 -5.420 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -1.069 -6.433 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 476 -3.231 -7.725 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -2.532 -9.529 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -1.142 -8.869 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -1.412 -8.404 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -4.470 -8.047 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -3.386 -6.883 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -4.479 -6.338 -5.054 1.00 0.00 H new ATOM 740 N PRO A 477 0.134 -3.984 -5.599 1.00 0.00 N ATOM 741 CA PRO A 477 1.442 -3.303 -5.856 1.00 0.00 C ATOM 742 C PRO A 477 2.119 -2.837 -4.564 1.00 0.00 C ATOM 743 O PRO A 477 3.341 -2.916 -4.435 1.00 0.00 O ATOM 744 CB PRO A 477 1.064 -2.111 -6.764 1.00 0.00 C ATOM 745 CG PRO A 477 -0.405 -1.927 -6.566 1.00 0.00 C ATOM 746 CD PRO A 477 -0.960 -3.326 -6.335 1.00 0.00 C ATOM 0 HA PRO A 477 2.170 -3.971 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 477 1.616 -1.213 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 477 1.299 -2.320 -7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 477 -0.608 -1.278 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 477 -0.864 -1.461 -7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 477 -1.884 -3.306 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 477 -1.182 -3.835 -7.273 1.00 0.00 H new ATOM 754 N ILE A 478 1.324 -2.351 -3.616 1.00 0.00 N ATOM 755 CA ILE A 478 1.873 -1.879 -2.349 1.00 0.00 C ATOM 756 C ILE A 478 2.379 -3.048 -1.509 1.00 0.00 C ATOM 757 O ILE A 478 3.432 -2.961 -0.877 1.00 0.00 O ATOM 758 CB ILE A 478 0.809 -1.103 -1.574 1.00 0.00 C ATOM 759 CG1 ILE A 478 1.440 -0.473 -0.331 1.00 0.00 C ATOM 760 CG2 ILE A 478 -0.312 -2.051 -1.155 1.00 0.00 C ATOM 761 CD1 ILE A 478 0.449 0.501 0.310 1.00 0.00 C ATOM 0 H ILE A 478 0.310 -2.274 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 478 2.713 -1.219 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 478 0.399 -0.318 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 478 1.716 -1.249 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 478 2.357 0.051 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.070 -1.496 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.763 -2.496 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.095 -2.839 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 478 0.900 0.949 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 478 0.196 1.285 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -0.456 -0.036 0.596 1.00 0.00 H new ATOM 773 N LEU A 479 1.623 -4.141 -1.508 1.00 0.00 N ATOM 774 CA LEU A 479 2.007 -5.321 -0.741 1.00 0.00 C ATOM 775 C LEU A 479 3.336 -5.858 -1.251 1.00 0.00 C ATOM 776 O LEU A 479 4.205 -6.242 -0.467 1.00 0.00 O ATOM 777 CB LEU A 479 0.922 -6.400 -0.863 1.00 0.00 C ATOM 778 CG LEU A 479 1.355 -7.687 -0.142 1.00 0.00 C ATOM 779 CD1 LEU A 479 1.641 -7.396 1.339 1.00 0.00 C ATOM 780 CD2 LEU A 479 0.229 -8.722 -0.251 1.00 0.00 C ATOM 0 H LEU A 479 0.749 -4.235 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 479 2.115 -5.045 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 479 -0.012 -6.034 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 479 0.730 -6.613 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 479 2.263 -8.072 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 479 1.947 -8.316 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 479 2.439 -6.658 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 479 0.740 -7.008 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 479 0.527 -9.639 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 479 -0.675 -8.327 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 479 0.033 -8.937 -1.301 1.00 0.00 H new ATOM 792 N ASP A 480 3.486 -5.886 -2.570 1.00 0.00 N ATOM 793 CA ASP A 480 4.712 -6.384 -3.172 1.00 0.00 C ATOM 794 C ASP A 480 5.903 -5.520 -2.767 1.00 0.00 C ATOM 795 O ASP A 480 6.991 -6.033 -2.509 1.00 0.00 O ATOM 796 CB ASP A 480 4.580 -6.393 -4.696 1.00 0.00 C ATOM 797 CG ASP A 480 5.794 -7.072 -5.319 1.00 0.00 C ATOM 798 OD1 ASP A 480 6.716 -7.384 -4.582 1.00 0.00 O ATOM 799 OD2 ASP A 480 5.785 -7.275 -6.521 1.00 0.00 O ATOM 0 H ASP A 480 2.780 -5.572 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 480 4.880 -7.400 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 480 3.670 -6.917 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 480 4.493 -5.372 -5.068 1.00 0.00 H new ATOM 804 N ASN A 481 5.699 -4.204 -2.719 1.00 0.00 N ATOM 805 CA ASN A 481 6.777 -3.294 -2.349 1.00 0.00 C ATOM 806 C ASN A 481 7.233 -3.543 -0.913 1.00 0.00 C ATOM 807 O ASN A 481 8.430 -3.640 -0.640 1.00 0.00 O ATOM 808 CB ASN A 481 6.303 -1.847 -2.488 1.00 0.00 C ATOM 809 CG ASN A 481 6.117 -1.496 -3.959 1.00 0.00 C ATOM 810 OD1 ASN A 481 6.771 -2.075 -4.827 1.00 0.00 O ATOM 811 ND2 ASN A 481 5.256 -0.573 -4.295 1.00 0.00 N ATOM 0 H ASN A 481 4.810 -3.751 -2.929 1.00 0.00 H new ATOM 0 HA ASN A 481 7.619 -3.473 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 481 5.364 -1.711 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 481 7.030 -1.173 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 481 5.125 -0.331 -5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 481 4.715 -0.094 -3.575 1.00 0.00 H new ATOM 818 N LEU A 482 6.275 -3.654 0.003 1.00 0.00 N ATOM 819 CA LEU A 482 6.597 -3.900 1.406 1.00 0.00 C ATOM 820 C LEU A 482 7.212 -5.289 1.573 1.00 0.00 C ATOM 821 O LEU A 482 8.126 -5.483 2.374 1.00 0.00 O ATOM 822 CB LEU A 482 5.337 -3.776 2.280 1.00 0.00 C ATOM 823 CG LEU A 482 5.024 -2.287 2.573 1.00 0.00 C ATOM 824 CD1 LEU A 482 3.526 -2.112 2.847 1.00 0.00 C ATOM 825 CD2 LEU A 482 5.813 -1.821 3.808 1.00 0.00 C ATOM 0 H LEU A 482 5.278 -3.578 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 482 7.320 -3.151 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 482 4.490 -4.239 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 482 5.483 -4.314 3.217 1.00 0.00 H new ATOM 0 HG LEU A 482 5.311 -1.692 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 482 3.314 -1.063 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 482 2.957 -2.434 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 482 3.241 -2.715 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 482 5.589 -0.773 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 482 5.529 -2.425 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 482 6.881 -1.934 3.621 1.00 0.00 H new ATOM 837 N LEU A 483 6.694 -6.250 0.819 1.00 0.00 N ATOM 838 CA LEU A 483 7.187 -7.620 0.897 1.00 0.00 C ATOM 839 C LEU A 483 8.688 -7.664 0.616 1.00 0.00 C ATOM 840 O LEU A 483 9.391 -8.552 1.098 1.00 0.00 O ATOM 841 CB LEU A 483 6.444 -8.503 -0.114 1.00 0.00 C ATOM 842 CG LEU A 483 6.968 -9.949 -0.055 1.00 0.00 C ATOM 843 CD1 LEU A 483 6.774 -10.533 1.354 1.00 0.00 C ATOM 844 CD2 LEU A 483 6.201 -10.798 -1.075 1.00 0.00 C ATOM 0 H LEU A 483 5.937 -6.108 0.150 1.00 0.00 H new ATOM 0 HA LEU A 483 7.007 -7.997 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 483 5.375 -8.489 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 483 6.575 -8.103 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 483 8.033 -9.955 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 483 7.150 -11.556 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 483 7.321 -9.928 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 483 5.714 -10.530 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 483 6.565 -11.825 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 483 5.138 -10.782 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 483 6.354 -10.392 -2.075 1.00 0.00 H new ATOM 856 N LYS A 484 9.168 -6.706 -0.172 1.00 0.00 N ATOM 857 CA LYS A 484 10.584 -6.652 -0.514 1.00 0.00 C ATOM 858 C LYS A 484 11.426 -6.461 0.748 1.00 0.00 C ATOM 859 O LYS A 484 12.453 -7.117 0.923 1.00 0.00 O ATOM 860 CB LYS A 484 10.841 -5.492 -1.492 1.00 0.00 C ATOM 861 CG LYS A 484 12.302 -5.507 -1.994 1.00 0.00 C ATOM 862 CD LYS A 484 12.465 -6.527 -3.130 1.00 0.00 C ATOM 863 CE LYS A 484 13.862 -6.393 -3.740 1.00 0.00 C ATOM 864 NZ LYS A 484 14.017 -7.386 -4.841 1.00 0.00 N ATOM 0 H LYS A 484 8.602 -5.963 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 484 10.867 -7.592 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 484 10.160 -5.568 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 484 10.631 -4.543 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 484 12.583 -4.514 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 484 12.973 -5.757 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 484 12.318 -7.538 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 484 11.706 -6.361 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 484 14.009 -5.383 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 484 14.622 -6.558 -2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 484 14.966 -7.297 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 484 13.894 -8.347 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 484 13.300 -7.208 -5.573 1.00 0.00 H new ATOM 878 N ALA A 485 10.988 -5.558 1.627 1.00 0.00 N ATOM 879 CA ALA A 485 11.715 -5.291 2.869 1.00 0.00 C ATOM 880 C ALA A 485 10.748 -4.889 3.979 1.00 0.00 C ATOM 881 O ALA A 485 10.309 -3.741 4.051 1.00 0.00 O ATOM 882 CB ALA A 485 12.733 -4.170 2.645 1.00 0.00 C ATOM 0 H ALA A 485 10.141 -5.003 1.504 1.00 0.00 H new ATOM 0 HA ALA A 485 12.235 -6.201 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 485 13.271 -3.976 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 485 13.440 -4.470 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 485 12.214 -3.265 2.330 1.00 0.00 H new ATOM 888 N ASN A 486 10.413 -5.847 4.840 1.00 0.00 N ATOM 889 CA ASN A 486 9.489 -5.589 5.939 1.00 0.00 C ATOM 890 C ASN A 486 9.675 -6.616 7.054 1.00 0.00 C ATOM 891 O ASN A 486 10.578 -7.452 6.995 1.00 0.00 O ATOM 892 CB ASN A 486 8.049 -5.629 5.428 1.00 0.00 C ATOM 893 CG ASN A 486 7.825 -6.890 4.605 1.00 0.00 C ATOM 894 OD1 ASN A 486 6.754 -7.070 4.026 1.00 0.00 O ATOM 895 ND2 ASN A 486 8.776 -7.780 4.518 1.00 0.00 N ATOM 0 H ASN A 486 10.766 -6.803 4.798 1.00 0.00 H new ATOM 0 HA ASN A 486 9.700 -4.599 6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 486 7.355 -5.605 6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 486 7.845 -4.747 4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 486 8.633 -8.628 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 486 9.662 -7.628 4.999 1.00 0.00 H new ATOM 902 N VAL A 487 8.822 -6.544 8.071 1.00 0.00 N ATOM 903 CA VAL A 487 8.906 -7.469 9.198 1.00 0.00 C ATOM 904 C VAL A 487 8.324 -8.829 8.828 1.00 0.00 C ATOM 905 O VAL A 487 8.708 -9.855 9.389 1.00 0.00 O ATOM 906 CB VAL A 487 8.141 -6.899 10.398 1.00 0.00 C ATOM 907 CG1 VAL A 487 8.617 -5.471 10.675 1.00 0.00 C ATOM 908 CG2 VAL A 487 6.641 -6.880 10.089 1.00 0.00 C ATOM 0 H VAL A 487 8.069 -5.860 8.139 1.00 0.00 H new ATOM 0 HA VAL A 487 9.957 -7.596 9.457 1.00 0.00 H new ATOM 0 HB VAL A 487 8.325 -7.523 11.272 1.00 0.00 H new ATOM 0 HG11 VAL A 487 8.073 -5.065 11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 487 9.684 -5.480 10.896 1.00 0.00 H new ATOM 0 HG13 VAL A 487 8.433 -4.850 9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 487 6.099 -6.475 10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 487 6.458 -6.257 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 487 6.298 -7.895 9.890 1.00 0.00 H new ATOM 918 N ILE A 488 7.398 -8.830 7.876 1.00 0.00 N ATOM 919 CA ILE A 488 6.766 -10.069 7.430 1.00 0.00 C ATOM 920 C ILE A 488 7.638 -10.779 6.398 1.00 0.00 C ATOM 921 O ILE A 488 8.262 -10.141 5.549 1.00 0.00 O ATOM 922 CB ILE A 488 5.385 -9.764 6.836 1.00 0.00 C ATOM 923 CG1 ILE A 488 5.521 -8.790 5.661 1.00 0.00 C ATOM 924 CG2 ILE A 488 4.502 -9.125 7.909 1.00 0.00 C ATOM 925 CD1 ILE A 488 4.164 -8.636 4.970 1.00 0.00 C ATOM 0 H ILE A 488 7.068 -7.991 7.399 1.00 0.00 H new ATOM 0 HA ILE A 488 6.648 -10.729 8.290 1.00 0.00 H new ATOM 0 HB ILE A 488 4.937 -10.694 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 488 5.873 -7.821 6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 488 6.263 -9.159 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 488 3.520 -8.907 7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 488 4.394 -9.812 8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 488 4.962 -8.199 8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 488 4.258 -7.943 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 488 3.831 -9.606 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 488 3.435 -8.248 5.682 1.00 0.00 H new ATOM 937 N ASN A 489 7.683 -12.106 6.485 1.00 0.00 N ATOM 938 CA ASN A 489 8.483 -12.910 5.559 1.00 0.00 C ATOM 939 C ASN A 489 7.567 -13.673 4.604 1.00 0.00 C ATOM 940 O ASN A 489 6.381 -13.368 4.490 1.00 0.00 O ATOM 941 CB ASN A 489 9.356 -13.897 6.340 1.00 0.00 C ATOM 942 CG ASN A 489 8.496 -14.720 7.291 1.00 0.00 C ATOM 943 OD1 ASN A 489 9.008 -15.590 7.995 1.00 0.00 O ATOM 944 ND2 ASN A 489 7.215 -14.496 7.354 1.00 0.00 N ATOM 0 H ASN A 489 7.177 -12.648 7.185 1.00 0.00 H new ATOM 0 HA ASN A 489 9.126 -12.246 4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 489 9.880 -14.557 5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 489 10.117 -13.355 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 489 6.632 -15.042 7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 489 6.794 -13.774 6.769 1.00 0.00 H new ATOM 951 N LYS A 490 8.126 -14.663 3.919 1.00 0.00 N ATOM 952 CA LYS A 490 7.348 -15.458 2.976 1.00 0.00 C ATOM 953 C LYS A 490 6.288 -16.278 3.706 1.00 0.00 C ATOM 954 O LYS A 490 5.362 -16.805 3.090 1.00 0.00 O ATOM 955 CB LYS A 490 8.275 -16.396 2.202 1.00 0.00 C ATOM 956 CG LYS A 490 9.196 -15.569 1.302 1.00 0.00 C ATOM 957 CD LYS A 490 10.146 -16.499 0.548 1.00 0.00 C ATOM 958 CE LYS A 490 11.011 -15.682 -0.414 1.00 0.00 C ATOM 959 NZ LYS A 490 11.881 -14.756 0.364 1.00 0.00 N ATOM 0 H LYS A 490 9.106 -14.933 3.997 1.00 0.00 H new ATOM 0 HA LYS A 490 6.850 -14.780 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 490 8.866 -16.994 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 490 7.689 -17.091 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 490 8.604 -14.987 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 490 9.766 -14.859 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 490 10.779 -17.038 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 490 9.577 -17.246 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 490 11.623 -16.347 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 490 10.378 -15.116 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 490 12.656 -14.417 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 490 11.319 -13.945 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 490 12.277 -15.258 1.184 1.00 0.00 H new ATOM 973 N GLN A 491 6.429 -16.386 5.025 1.00 0.00 N ATOM 974 CA GLN A 491 5.475 -17.148 5.831 1.00 0.00 C ATOM 975 C GLN A 491 4.271 -16.292 6.206 1.00 0.00 C ATOM 976 O GLN A 491 3.133 -16.638 5.892 1.00 0.00 O ATOM 977 CB GLN A 491 6.158 -17.665 7.104 1.00 0.00 C ATOM 978 CG GLN A 491 7.103 -18.816 6.752 1.00 0.00 C ATOM 979 CD GLN A 491 6.301 -20.041 6.325 1.00 0.00 C ATOM 980 OE1 GLN A 491 5.669 -20.692 7.157 1.00 0.00 O ATOM 981 NE2 GLN A 491 6.285 -20.393 5.069 1.00 0.00 N ATOM 0 H GLN A 491 7.188 -15.960 5.556 1.00 0.00 H new ATOM 0 HA GLN A 491 5.127 -17.993 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 491 6.714 -16.859 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 491 5.408 -18.003 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 491 7.774 -18.513 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 491 7.726 -19.061 7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 491 6.809 -19.852 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 491 5.748 -21.209 4.775 1.00 0.00 H new ATOM 990 N GLU A 492 4.526 -15.179 6.883 1.00 0.00 N ATOM 991 CA GLU A 492 3.453 -14.289 7.297 1.00 0.00 C ATOM 992 C GLU A 492 2.786 -13.666 6.080 1.00 0.00 C ATOM 993 O GLU A 492 1.573 -13.492 6.057 1.00 0.00 O ATOM 994 CB GLU A 492 4.002 -13.193 8.211 1.00 0.00 C ATOM 995 CG GLU A 492 4.457 -13.817 9.533 1.00 0.00 C ATOM 996 CD GLU A 492 5.145 -12.768 10.400 1.00 0.00 C ATOM 997 OE1 GLU A 492 5.253 -11.638 9.952 1.00 0.00 O ATOM 998 OE2 GLU A 492 5.556 -13.110 11.495 1.00 0.00 O ATOM 0 H GLU A 492 5.461 -14.874 7.155 1.00 0.00 H new ATOM 0 HA GLU A 492 2.711 -14.869 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 492 4.838 -12.686 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 492 3.236 -12.440 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 492 3.599 -14.231 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 492 5.140 -14.643 9.338 1.00 0.00 H new ATOM 1005 N HIS A 493 3.587 -13.341 5.068 1.00 0.00 N ATOM 1006 CA HIS A 493 3.055 -12.745 3.844 1.00 0.00 C ATOM 1007 C HIS A 493 2.032 -13.675 3.190 1.00 0.00 C ATOM 1008 O HIS A 493 0.973 -13.234 2.746 1.00 0.00 O ATOM 1009 CB HIS A 493 4.198 -12.464 2.861 1.00 0.00 C ATOM 1010 CG HIS A 493 3.644 -11.877 1.591 1.00 0.00 C ATOM 1011 ND1 HIS A 493 3.333 -12.665 0.494 1.00 0.00 N ATOM 1012 CD2 HIS A 493 3.340 -10.586 1.223 1.00 0.00 C ATOM 1013 CE1 HIS A 493 2.867 -11.852 -0.471 1.00 0.00 C ATOM 1014 NE2 HIS A 493 2.851 -10.577 -0.080 1.00 0.00 N ATOM 0 H HIS A 493 4.598 -13.478 5.070 1.00 0.00 H new ATOM 0 HA HIS A 493 2.560 -11.809 4.104 1.00 0.00 H new ATOM 0 HB2 HIS A 493 4.914 -11.775 3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 493 4.737 -13.386 2.642 1.00 0.00 H new ATOM 0 HD1 HIS A 493 3.438 -13.678 0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 493 3.462 -9.714 1.849 1.00 0.00 H new ATOM 0 HE1 HIS A 493 2.545 -12.191 -1.445 1.00 0.00 H new ATOM 1022 N ASP A 494 2.361 -14.962 3.129 1.00 0.00 N ATOM 1023 CA ASP A 494 1.471 -15.948 2.522 1.00 0.00 C ATOM 1024 C ASP A 494 0.188 -16.116 3.333 1.00 0.00 C ATOM 1025 O ASP A 494 -0.894 -16.279 2.770 1.00 0.00 O ATOM 1026 CB ASP A 494 2.183 -17.298 2.419 1.00 0.00 C ATOM 1027 CG ASP A 494 1.391 -18.233 1.511 1.00 0.00 C ATOM 1028 OD1 ASP A 494 0.288 -17.872 1.138 1.00 0.00 O ATOM 1029 OD2 ASP A 494 1.899 -19.300 1.207 1.00 0.00 O ATOM 0 H ASP A 494 3.234 -15.346 3.491 1.00 0.00 H new ATOM 0 HA ASP A 494 1.206 -15.589 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 494 3.189 -17.159 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 494 2.287 -17.741 3.410 1.00 0.00 H new ATOM 1034 N ILE A 495 0.315 -16.093 4.657 1.00 0.00 N ATOM 1035 CA ILE A 495 -0.845 -16.262 5.526 1.00 0.00 C ATOM 1036 C ILE A 495 -1.845 -15.120 5.333 1.00 0.00 C ATOM 1037 O ILE A 495 -3.052 -15.349 5.256 1.00 0.00 O ATOM 1038 CB ILE A 495 -0.392 -16.313 6.991 1.00 0.00 C ATOM 1039 CG1 ILE A 495 0.408 -17.601 7.237 1.00 0.00 C ATOM 1040 CG2 ILE A 495 -1.616 -16.295 7.912 1.00 0.00 C ATOM 1041 CD1 ILE A 495 1.156 -17.509 8.575 1.00 0.00 C ATOM 0 H ILE A 495 1.200 -15.960 5.147 1.00 0.00 H new ATOM 0 HA ILE A 495 -1.338 -17.198 5.263 1.00 0.00 H new ATOM 0 HB ILE A 495 0.234 -15.446 7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -0.263 -18.460 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 495 1.118 -17.759 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -1.290 -16.331 8.951 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -2.186 -15.381 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -2.245 -17.159 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 495 1.720 -18.427 8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 495 1.841 -16.661 8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 495 0.439 -17.373 9.384 1.00 0.00 H new ATOM 1147 N GLN A 501 -8.818 -12.116 2.057 1.00 0.00 N ATOM 1148 CA GLN A 501 -9.290 -11.612 0.766 1.00 0.00 C ATOM 1149 C GLN A 501 -8.638 -10.263 0.467 1.00 0.00 C ATOM 1150 O GLN A 501 -7.600 -9.929 1.034 1.00 0.00 O ATOM 1151 CB GLN A 501 -10.813 -11.456 0.789 1.00 0.00 C ATOM 1152 CG GLN A 501 -11.471 -12.826 0.964 1.00 0.00 C ATOM 1153 CD GLN A 501 -12.980 -12.658 1.094 1.00 0.00 C ATOM 1154 OE1 GLN A 501 -13.448 -11.662 1.647 1.00 0.00 O ATOM 1155 NE2 GLN A 501 -13.777 -13.578 0.621 1.00 0.00 N ATOM 0 HA GLN A 501 -9.017 -12.324 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -11.108 -10.794 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -11.155 -10.994 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -11.238 -13.463 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -11.073 -13.321 1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -13.389 -14.403 0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -14.788 -13.472 0.709 1.00 0.00 H new ATOM 1164 N ILE A 502 -9.249 -9.491 -0.425 1.00 0.00 N ATOM 1165 CA ILE A 502 -8.710 -8.182 -0.765 1.00 0.00 C ATOM 1166 C ILE A 502 -8.876 -7.200 0.414 1.00 0.00 C ATOM 1167 O ILE A 502 -7.899 -6.583 0.829 1.00 0.00 O ATOM 1168 CB ILE A 502 -9.371 -7.631 -2.038 1.00 0.00 C ATOM 1169 CG1 ILE A 502 -9.405 -8.719 -3.125 1.00 0.00 C ATOM 1170 CG2 ILE A 502 -8.590 -6.419 -2.556 1.00 0.00 C ATOM 1171 CD1 ILE A 502 -8.004 -9.322 -3.311 1.00 0.00 C ATOM 0 H ILE A 502 -10.105 -9.745 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 502 -7.644 -8.294 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 502 -10.390 -7.326 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 502 -10.112 -9.501 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 502 -9.754 -8.294 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 502 -9.068 -6.037 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 502 -8.579 -5.640 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 502 -7.567 -6.716 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 502 -8.038 -10.091 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 502 -7.308 -8.539 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 502 -7.671 -9.764 -2.372 1.00 0.00 H new ATOM 1183 N PRO A 503 -10.075 -7.034 0.973 1.00 0.00 N ATOM 1184 CA PRO A 503 -10.298 -6.096 2.128 1.00 0.00 C ATOM 1185 C PRO A 503 -9.474 -6.461 3.373 1.00 0.00 C ATOM 1186 O PRO A 503 -8.931 -5.576 4.033 1.00 0.00 O ATOM 1187 CB PRO A 503 -11.814 -6.223 2.392 1.00 0.00 C ATOM 1188 CG PRO A 503 -12.159 -7.565 1.860 1.00 0.00 C ATOM 1189 CD PRO A 503 -11.343 -7.691 0.589 1.00 0.00 C ATOM 0 HA PRO A 503 -9.977 -5.080 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 503 -12.042 -6.144 3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 503 -12.375 -5.437 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 503 -11.908 -8.351 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 503 -13.227 -7.649 1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 503 -11.193 -8.732 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 503 -11.822 -7.193 -0.254 1.00 0.00 H new ATOM 1197 N LEU A 504 -9.367 -7.757 3.686 1.00 0.00 N ATOM 1198 CA LEU A 504 -8.579 -8.179 4.847 1.00 0.00 C ATOM 1199 C LEU A 504 -7.102 -7.868 4.611 1.00 0.00 C ATOM 1200 O LEU A 504 -6.403 -7.405 5.511 1.00 0.00 O ATOM 1201 CB LEU A 504 -8.768 -9.690 5.137 1.00 0.00 C ATOM 1202 CG LEU A 504 -10.041 -9.933 5.980 1.00 0.00 C ATOM 1203 CD1 LEU A 504 -9.906 -9.288 7.379 1.00 0.00 C ATOM 1204 CD2 LEU A 504 -11.246 -9.343 5.247 1.00 0.00 C ATOM 0 H LEU A 504 -9.806 -8.516 3.165 1.00 0.00 H new ATOM 0 HA LEU A 504 -8.931 -7.625 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 504 -8.838 -10.239 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 504 -7.897 -10.075 5.667 1.00 0.00 H new ATOM 0 HG LEU A 504 -10.178 -11.006 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 504 -10.814 -9.472 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 504 -9.053 -9.723 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 504 -9.756 -8.214 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 504 -12.148 -9.511 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 504 -11.098 -8.272 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 504 -11.352 -9.825 4.275 1.00 0.00 H new ATOM 1216 N GLN A 505 -6.646 -8.112 3.385 1.00 0.00 N ATOM 1217 CA GLN A 505 -5.256 -7.852 3.029 1.00 0.00 C ATOM 1218 C GLN A 505 -4.848 -6.454 3.475 1.00 0.00 C ATOM 1219 O GLN A 505 -3.756 -6.261 4.007 1.00 0.00 O ATOM 1220 CB GLN A 505 -5.072 -7.976 1.509 1.00 0.00 C ATOM 1221 CG GLN A 505 -3.583 -7.868 1.149 1.00 0.00 C ATOM 1222 CD GLN A 505 -2.829 -9.083 1.671 1.00 0.00 C ATOM 1223 OE1 GLN A 505 -1.831 -8.940 2.379 1.00 0.00 O ATOM 1224 NE2 GLN A 505 -3.246 -10.277 1.356 1.00 0.00 N ATOM 0 H GLN A 505 -7.215 -8.487 2.626 1.00 0.00 H new ATOM 0 HA GLN A 505 -4.626 -8.585 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -5.470 -8.930 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -5.635 -7.193 1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -3.467 -7.795 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -3.163 -6.958 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -4.073 -10.390 0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -2.746 -11.098 1.696 1.00 0.00 H new ATOM 1233 N ALA A 506 -5.726 -5.483 3.254 1.00 0.00 N ATOM 1234 CA ALA A 506 -5.429 -4.115 3.646 1.00 0.00 C ATOM 1235 C ALA A 506 -5.405 -3.994 5.168 1.00 0.00 C ATOM 1236 O ALA A 506 -4.548 -3.323 5.734 1.00 0.00 O ATOM 1237 CB ALA A 506 -6.479 -3.161 3.075 1.00 0.00 C ATOM 0 H ALA A 506 -6.636 -5.616 2.812 1.00 0.00 H new ATOM 0 HA ALA A 506 -4.449 -3.849 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 506 -6.245 -2.140 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 506 -6.478 -3.228 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 506 -7.464 -3.434 3.454 1.00 0.00 H new ATOM 1243 N ARG A 507 -6.350 -4.655 5.823 1.00 0.00 N ATOM 1244 CA ARG A 507 -6.419 -4.606 7.279 1.00 0.00 C ATOM 1245 C ARG A 507 -5.128 -5.143 7.892 1.00 0.00 C ATOM 1246 O ARG A 507 -4.555 -4.528 8.791 1.00 0.00 O ATOM 1247 CB ARG A 507 -7.609 -5.443 7.772 1.00 0.00 C ATOM 1248 CG ARG A 507 -7.839 -5.216 9.284 1.00 0.00 C ATOM 1249 CD ARG A 507 -8.780 -4.026 9.499 1.00 0.00 C ATOM 1250 NE ARG A 507 -10.096 -4.321 8.942 1.00 0.00 N ATOM 1251 CZ ARG A 507 -10.990 -5.034 9.620 1.00 0.00 C ATOM 1252 NH1 ARG A 507 -10.700 -5.476 10.815 1.00 0.00 N ATOM 1253 NH2 ARG A 507 -12.155 -5.293 9.094 1.00 0.00 N ATOM 0 H ARG A 507 -7.070 -5.224 5.378 1.00 0.00 H new ATOM 0 HA ARG A 507 -6.551 -3.569 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 507 -8.507 -5.172 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 507 -7.422 -6.500 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 507 -8.265 -6.113 9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 507 -6.887 -5.031 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 507 -8.867 -3.809 10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 507 -8.367 -3.135 9.025 1.00 0.00 H new ATOM 0 HE ARG A 507 -10.335 -3.973 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 507 -9.789 -5.274 11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 507 -11.385 -6.023 11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 507 -12.381 -4.948 8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 507 -12.840 -5.840 9.616 1.00 0.00 H new ATOM 1267 N GLU A 508 -4.673 -6.288 7.399 1.00 0.00 N ATOM 1268 CA GLU A 508 -3.441 -6.886 7.908 1.00 0.00 C ATOM 1269 C GLU A 508 -2.226 -6.042 7.507 1.00 0.00 C ATOM 1270 O GLU A 508 -1.306 -5.840 8.298 1.00 0.00 O ATOM 1271 CB GLU A 508 -3.290 -8.322 7.365 1.00 0.00 C ATOM 1272 CG GLU A 508 -4.111 -9.300 8.219 1.00 0.00 C ATOM 1273 CD GLU A 508 -5.598 -9.002 8.067 1.00 0.00 C ATOM 1274 OE1 GLU A 508 -6.124 -9.247 6.995 1.00 0.00 O ATOM 1275 OE2 GLU A 508 -6.188 -8.530 9.025 1.00 0.00 O ATOM 0 H GLU A 508 -5.130 -6.817 6.657 1.00 0.00 H new ATOM 0 HA GLU A 508 -3.495 -6.919 8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 508 -3.624 -8.364 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 508 -2.240 -8.613 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 508 -3.904 -10.325 7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 508 -3.820 -9.215 9.266 1.00 0.00 H new ATOM 1282 N LEU A 509 -2.234 -5.558 6.270 1.00 0.00 N ATOM 1283 CA LEU A 509 -1.130 -4.742 5.767 1.00 0.00 C ATOM 1284 C LEU A 509 -0.999 -3.439 6.557 1.00 0.00 C ATOM 1285 O LEU A 509 0.106 -3.027 6.902 1.00 0.00 O ATOM 1286 CB LEU A 509 -1.357 -4.424 4.284 1.00 0.00 C ATOM 1287 CG LEU A 509 -0.156 -3.646 3.717 1.00 0.00 C ATOM 1288 CD1 LEU A 509 1.128 -4.504 3.797 1.00 0.00 C ATOM 1289 CD2 LEU A 509 -0.448 -3.283 2.255 1.00 0.00 C ATOM 0 H LEU A 509 -2.986 -5.714 5.599 1.00 0.00 H new ATOM 0 HA LEU A 509 -0.206 -5.308 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -1.498 -5.348 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -2.268 -3.838 4.166 1.00 0.00 H new ATOM 0 HG LEU A 509 -0.002 -2.740 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 509 1.968 -3.940 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 509 1.330 -4.760 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 509 0.992 -5.418 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 509 0.396 -2.731 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -0.603 -4.195 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -1.345 -2.665 2.206 1.00 0.00 H new ATOM 1301 N ILE A 510 -2.128 -2.798 6.833 1.00 0.00 N ATOM 1302 CA ILE A 510 -2.124 -1.539 7.577 1.00 0.00 C ATOM 1303 C ILE A 510 -1.559 -1.739 8.984 1.00 0.00 C ATOM 1304 O ILE A 510 -0.771 -0.924 9.467 1.00 0.00 O ATOM 1305 CB ILE A 510 -3.551 -0.972 7.650 1.00 0.00 C ATOM 1306 CG1 ILE A 510 -3.978 -0.472 6.263 1.00 0.00 C ATOM 1307 CG2 ILE A 510 -3.606 0.191 8.644 1.00 0.00 C ATOM 1308 CD1 ILE A 510 -5.495 -0.281 6.231 1.00 0.00 C ATOM 0 H ILE A 510 -3.054 -3.124 6.556 1.00 0.00 H new ATOM 0 HA ILE A 510 -1.484 -0.829 7.054 1.00 0.00 H new ATOM 0 HB ILE A 510 -4.227 -1.760 7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 510 -3.478 0.469 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 510 -3.675 -1.187 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 510 -4.621 0.585 8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 510 -3.311 -0.161 9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 510 -2.925 0.978 8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 510 -5.796 0.074 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 510 -5.986 -1.232 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 510 -5.786 0.451 6.985 1.00 0.00 H new ATOM 1320 N ASP A 511 -1.966 -2.819 9.637 1.00 0.00 N ATOM 1321 CA ASP A 511 -1.493 -3.103 10.989 1.00 0.00 C ATOM 1322 C ASP A 511 0.032 -3.051 11.039 1.00 0.00 C ATOM 1323 O ASP A 511 0.612 -2.539 11.995 1.00 0.00 O ATOM 1324 CB ASP A 511 -1.978 -4.486 11.428 1.00 0.00 C ATOM 1325 CG ASP A 511 -1.504 -4.784 12.848 1.00 0.00 C ATOM 1326 OD1 ASP A 511 -0.705 -4.018 13.359 1.00 0.00 O ATOM 1327 OD2 ASP A 511 -1.945 -5.777 13.403 1.00 0.00 O ATOM 0 H ASP A 511 -2.616 -3.508 9.259 1.00 0.00 H new ATOM 0 HA ASP A 511 -1.893 -2.348 11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 511 -3.066 -4.529 11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 511 -1.601 -5.246 10.744 1.00 0.00 H new ATOM 1332 N THR A 512 0.672 -3.585 10.005 1.00 0.00 N ATOM 1333 CA THR A 512 2.130 -3.595 9.937 1.00 0.00 C ATOM 1334 C THR A 512 2.668 -2.165 9.891 1.00 0.00 C ATOM 1335 O THR A 512 3.695 -1.860 10.498 1.00 0.00 O ATOM 1336 CB THR A 512 2.594 -4.370 8.702 1.00 0.00 C ATOM 1337 OG1 THR A 512 1.868 -5.588 8.615 1.00 0.00 O ATOM 1338 CG2 THR A 512 4.089 -4.678 8.812 1.00 0.00 C ATOM 0 H THR A 512 0.208 -4.015 9.205 1.00 0.00 H new ATOM 0 HA THR A 512 2.518 -4.087 10.829 1.00 0.00 H new ATOM 0 HB THR A 512 2.417 -3.768 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 512 2.161 -6.087 7.824 1.00 0.00 H new ATOM 0 HG21 THR A 512 4.413 -5.230 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 512 4.648 -3.745 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 512 4.272 -5.279 9.703 1.00 0.00 H new ATOM 1346 N ILE A 513 1.970 -1.293 9.166 1.00 0.00 N ATOM 1347 CA ILE A 513 2.390 0.101 9.048 1.00 0.00 C ATOM 1348 C ILE A 513 2.409 0.754 10.424 1.00 0.00 C ATOM 1349 O ILE A 513 3.320 1.516 10.743 1.00 0.00 O ATOM 1350 CB ILE A 513 1.434 0.874 8.130 1.00 0.00 C ATOM 1351 CG1 ILE A 513 1.300 0.138 6.790 1.00 0.00 C ATOM 1352 CG2 ILE A 513 1.963 2.295 7.894 1.00 0.00 C ATOM 1353 CD1 ILE A 513 2.679 -0.076 6.146 1.00 0.00 C ATOM 0 H ILE A 513 1.118 -1.525 8.655 1.00 0.00 H new ATOM 0 HA ILE A 513 3.391 0.125 8.618 1.00 0.00 H new ATOM 0 HB ILE A 513 0.456 0.938 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 513 0.813 -0.825 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 513 0.664 0.712 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 513 1.277 2.835 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 513 2.043 2.817 8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 513 2.946 2.244 7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 513 2.560 -0.599 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 513 3.153 0.890 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 513 3.304 -0.671 6.813 1.00 0.00 H new ATOM 1365 N LEU A 514 1.396 0.462 11.228 1.00 0.00 N ATOM 1366 CA LEU A 514 1.308 1.039 12.562 1.00 0.00 C ATOM 1367 C LEU A 514 2.541 0.670 13.383 1.00 0.00 C ATOM 1368 O LEU A 514 3.103 1.514 14.080 1.00 0.00 O ATOM 1369 CB LEU A 514 0.045 0.525 13.270 1.00 0.00 C ATOM 1370 CG LEU A 514 -0.062 1.115 14.687 1.00 0.00 C ATOM 1371 CD1 LEU A 514 -0.091 2.652 14.628 1.00 0.00 C ATOM 1372 CD2 LEU A 514 -1.345 0.603 15.349 1.00 0.00 C ATOM 0 H LEU A 514 0.630 -0.165 10.983 1.00 0.00 H new ATOM 0 HA LEU A 514 1.257 2.124 12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -0.838 0.795 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 514 0.070 -0.563 13.325 1.00 0.00 H new ATOM 0 HG LEU A 514 0.806 0.805 15.269 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -0.167 3.054 15.638 1.00 0.00 H new ATOM 0 HD12 LEU A 514 0.824 3.016 14.161 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -0.951 2.977 14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -1.426 1.018 16.354 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -2.207 0.911 14.758 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -1.315 -0.485 15.407 1.00 0.00 H new ATOM 1384 N VAL A 515 2.953 -0.591 13.306 1.00 0.00 N ATOM 1385 CA VAL A 515 4.123 -1.037 14.057 1.00 0.00 C ATOM 1386 C VAL A 515 5.379 -0.318 13.564 1.00 0.00 C ATOM 1387 O VAL A 515 6.182 0.164 14.362 1.00 0.00 O ATOM 1388 CB VAL A 515 4.293 -2.552 13.913 1.00 0.00 C ATOM 1389 CG1 VAL A 515 5.611 -2.989 14.561 1.00 0.00 C ATOM 1390 CG2 VAL A 515 3.125 -3.263 14.599 1.00 0.00 C ATOM 0 H VAL A 515 2.504 -1.312 12.742 1.00 0.00 H new ATOM 0 HA VAL A 515 3.975 -0.795 15.109 1.00 0.00 H new ATOM 0 HB VAL A 515 4.309 -2.814 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 515 5.728 -4.068 14.456 1.00 0.00 H new ATOM 0 HG12 VAL A 515 6.443 -2.484 14.070 1.00 0.00 H new ATOM 0 HG13 VAL A 515 5.601 -2.726 15.619 1.00 0.00 H new ATOM 0 HG21 VAL A 515 3.245 -4.342 14.497 1.00 0.00 H new ATOM 0 HG22 VAL A 515 3.108 -2.998 15.656 1.00 0.00 H new ATOM 0 HG23 VAL A 515 2.188 -2.957 14.133 1.00 0.00 H new ATOM 1400 N LYS A 516 5.538 -0.248 12.245 1.00 0.00 N ATOM 1401 CA LYS A 516 6.696 0.421 11.657 1.00 0.00 C ATOM 1402 C LYS A 516 6.674 1.922 11.948 1.00 0.00 C ATOM 1403 O LYS A 516 7.687 2.501 12.339 1.00 0.00 O ATOM 1404 CB LYS A 516 6.711 0.195 10.146 1.00 0.00 C ATOM 1405 CG LYS A 516 7.079 -1.260 9.838 1.00 0.00 C ATOM 1406 CD LYS A 516 7.070 -1.474 8.323 1.00 0.00 C ATOM 1407 CE LYS A 516 7.479 -2.912 8.001 1.00 0.00 C ATOM 1408 NZ LYS A 516 7.431 -3.121 6.526 1.00 0.00 N ATOM 0 H LYS A 516 4.886 -0.643 11.567 1.00 0.00 H new ATOM 0 HA LYS A 516 7.595 -0.003 12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 516 5.733 0.428 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 516 7.429 0.868 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 516 8.064 -1.492 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 516 6.370 -1.936 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 516 6.076 -1.271 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 516 7.755 -0.775 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 516 8.484 -3.109 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 516 6.810 -3.613 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.741 -3.867 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 7.147 -2.236 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 8.371 -3.406 6.185 1.00 0.00 H new ATOM 1422 N GLY A 517 5.514 2.544 11.757 1.00 0.00 N ATOM 1423 CA GLY A 517 5.377 3.978 12.001 1.00 0.00 C ATOM 1424 C GLY A 517 6.126 4.802 10.957 1.00 0.00 C ATOM 1425 O GLY A 517 5.948 4.605 9.756 1.00 0.00 O ATOM 0 H GLY A 517 4.662 2.083 11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 517 4.321 4.250 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 517 5.758 4.216 12.994 1.00 0.00 H new ATOM 1429 N ASN A 518 6.957 5.733 11.423 1.00 0.00 N ATOM 1430 CA ASN A 518 7.714 6.591 10.519 1.00 0.00 C ATOM 1431 C ASN A 518 8.585 5.764 9.578 1.00 0.00 C ATOM 1432 O ASN A 518 8.704 6.073 8.393 1.00 0.00 O ATOM 1433 CB ASN A 518 8.602 7.535 11.343 1.00 0.00 C ATOM 1434 CG ASN A 518 8.908 8.802 10.553 1.00 0.00 C ATOM 1435 OD1 ASN A 518 9.729 8.784 9.635 1.00 0.00 O ATOM 1436 ND2 ASN A 518 8.292 9.908 10.859 1.00 0.00 N ATOM 0 H ASN A 518 7.121 5.910 12.414 1.00 0.00 H new ATOM 0 HA ASN A 518 7.011 7.167 9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 518 8.102 7.793 12.276 1.00 0.00 H new ATOM 0 HB3 ASN A 518 9.531 7.031 11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 518 8.489 10.762 10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 518 7.613 9.920 11.620 1.00 0.00 H new ATOM 1443 N ALA A 519 9.196 4.719 10.108 1.00 0.00 N ATOM 1444 CA ALA A 519 10.054 3.868 9.297 1.00 0.00 C ATOM 1445 C ALA A 519 9.314 3.383 8.058 1.00 0.00 C ATOM 1446 O ALA A 519 9.934 3.070 7.043 1.00 0.00 O ATOM 1447 CB ALA A 519 10.523 2.667 10.119 1.00 0.00 C ATOM 0 H ALA A 519 9.117 4.440 11.086 1.00 0.00 H new ATOM 0 HA ALA A 519 10.919 4.452 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 519 11.165 2.035 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 519 11.081 3.016 10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 519 9.658 2.093 10.451 1.00 0.00 H new ATOM 1453 N ALA A 520 7.984 3.324 8.144 1.00 0.00 N ATOM 1454 CA ALA A 520 7.174 2.874 7.012 1.00 0.00 C ATOM 1455 C ALA A 520 6.656 4.067 6.218 1.00 0.00 C ATOM 1456 O ALA A 520 6.116 3.902 5.132 1.00 0.00 O ATOM 1457 CB ALA A 520 5.993 2.037 7.520 1.00 0.00 C ATOM 0 H ALA A 520 7.450 3.579 8.975 1.00 0.00 H new ATOM 0 HA ALA A 520 7.797 2.264 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.392 1.704 6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 520 6.369 1.169 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.378 2.642 8.186 1.00 0.00 H new ATOM 1463 N ALA A 521 6.815 5.263 6.765 1.00 0.00 N ATOM 1464 CA ALA A 521 6.340 6.455 6.080 1.00 0.00 C ATOM 1465 C ALA A 521 6.954 6.555 4.692 1.00 0.00 C ATOM 1466 O ALA A 521 6.255 6.795 3.714 1.00 0.00 O ATOM 1467 CB ALA A 521 6.695 7.709 6.883 1.00 0.00 C ATOM 0 H ALA A 521 7.262 5.433 7.666 1.00 0.00 H new ATOM 0 HA ALA A 521 5.257 6.381 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 521 6.333 8.592 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 521 6.228 7.655 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.777 7.773 6.998 1.00 0.00 H new ATOM 1473 N ASN A 522 8.266 6.374 4.606 1.00 0.00 N ATOM 1474 CA ASN A 522 8.947 6.461 3.320 1.00 0.00 C ATOM 1475 C ASN A 522 8.441 5.390 2.353 1.00 0.00 C ATOM 1476 O ASN A 522 8.170 5.674 1.188 1.00 0.00 O ATOM 1477 CB ASN A 522 10.459 6.297 3.530 1.00 0.00 C ATOM 1478 CG ASN A 522 10.789 4.845 3.864 1.00 0.00 C ATOM 1479 OD1 ASN A 522 11.683 4.253 3.258 1.00 0.00 O ATOM 1480 ND2 ASN A 522 10.112 4.230 4.794 1.00 0.00 N ATOM 0 H ASN A 522 8.873 6.169 5.400 1.00 0.00 H new ATOM 0 HA ASN A 522 8.737 7.438 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 522 10.994 6.602 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 522 10.795 6.949 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 522 10.323 3.258 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 522 9.372 4.721 5.295 1.00 0.00 H new ATOM 1487 N ILE A 523 8.318 4.159 2.841 1.00 0.00 N ATOM 1488 CA ILE A 523 7.845 3.068 1.998 1.00 0.00 C ATOM 1489 C ILE A 523 6.405 3.321 1.563 1.00 0.00 C ATOM 1490 O ILE A 523 6.054 3.134 0.398 1.00 0.00 O ATOM 1491 CB ILE A 523 7.933 1.741 2.758 1.00 0.00 C ATOM 1492 CG1 ILE A 523 9.404 1.390 2.996 1.00 0.00 C ATOM 1493 CG2 ILE A 523 7.273 0.629 1.934 1.00 0.00 C ATOM 1494 CD1 ILE A 523 9.500 0.215 3.972 1.00 0.00 C ATOM 0 H ILE A 523 8.536 3.895 3.802 1.00 0.00 H new ATOM 0 HA ILE A 523 8.476 3.014 1.111 1.00 0.00 H new ATOM 0 HB ILE A 523 7.418 1.837 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 523 9.884 1.132 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 523 9.934 2.254 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 523 7.337 -0.314 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 523 6.226 0.877 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 523 7.786 0.532 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 523 10.548 -0.034 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 523 9.036 0.490 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 523 8.985 -0.649 3.553 1.00 0.00 H new ATOM 1506 N PHE A 524 5.576 3.747 2.510 1.00 0.00 N ATOM 1507 CA PHE A 524 4.175 4.018 2.222 1.00 0.00 C ATOM 1508 C PHE A 524 4.072 5.120 1.167 1.00 0.00 C ATOM 1509 O PHE A 524 3.321 5.003 0.201 1.00 0.00 O ATOM 1510 CB PHE A 524 3.444 4.439 3.516 1.00 0.00 C ATOM 1511 CG PHE A 524 1.987 4.028 3.455 1.00 0.00 C ATOM 1512 CD1 PHE A 524 1.660 2.667 3.398 1.00 0.00 C ATOM 1513 CD2 PHE A 524 0.970 4.992 3.464 1.00 0.00 C ATOM 1514 CE1 PHE A 524 0.322 2.269 3.348 1.00 0.00 C ATOM 1515 CE2 PHE A 524 -0.371 4.591 3.411 1.00 0.00 C ATOM 1516 CZ PHE A 524 -0.693 3.228 3.353 1.00 0.00 C ATOM 0 H PHE A 524 5.850 3.911 3.479 1.00 0.00 H new ATOM 0 HA PHE A 524 3.703 3.115 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 524 3.923 3.977 4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 524 3.519 5.518 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 524 2.444 1.924 3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 524 1.220 6.042 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 524 0.072 1.219 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 524 -1.157 5.332 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 524 -1.727 2.919 3.312 1.00 0.00 H new ATOM 1526 N LYS A 525 4.848 6.186 1.361 1.00 0.00 N ATOM 1527 CA LYS A 525 4.859 7.302 0.426 1.00 0.00 C ATOM 1528 C LYS A 525 5.354 6.838 -0.934 1.00 0.00 C ATOM 1529 O LYS A 525 4.813 7.225 -1.966 1.00 0.00 O ATOM 1530 CB LYS A 525 5.784 8.399 0.952 1.00 0.00 C ATOM 1531 CG LYS A 525 5.134 9.089 2.153 1.00 0.00 C ATOM 1532 CD LYS A 525 6.147 10.032 2.805 1.00 0.00 C ATOM 1533 CE LYS A 525 5.513 10.683 4.031 1.00 0.00 C ATOM 1534 NZ LYS A 525 6.504 11.580 4.692 1.00 0.00 N ATOM 0 H LYS A 525 5.475 6.297 2.158 1.00 0.00 H new ATOM 0 HA LYS A 525 3.846 7.691 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 525 6.744 7.971 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 525 5.984 9.127 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 525 4.254 9.647 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 525 4.795 8.345 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 525 7.042 9.480 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 525 6.460 10.796 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 525 4.631 11.253 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 525 5.179 9.916 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 525 6.833 11.142 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 525 7.314 11.730 4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 525 6.057 12.495 4.904 1.00 0.00 H new ATOM 1548 N ASN A 526 6.388 6.007 -0.927 1.00 0.00 N ATOM 1549 CA ASN A 526 6.952 5.504 -2.169 1.00 0.00 C ATOM 1550 C ASN A 526 5.898 4.748 -2.968 1.00 0.00 C ATOM 1551 O ASN A 526 5.813 4.886 -4.188 1.00 0.00 O ATOM 1552 CB ASN A 526 8.124 4.571 -1.859 1.00 0.00 C ATOM 1553 CG ASN A 526 9.293 5.371 -1.295 1.00 0.00 C ATOM 1554 OD1 ASN A 526 9.503 6.521 -1.680 1.00 0.00 O ATOM 1555 ND2 ASN A 526 10.069 4.829 -0.396 1.00 0.00 N ATOM 0 H ASN A 526 6.849 5.670 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 526 7.301 6.350 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 526 7.814 3.810 -1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 526 8.433 4.049 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 526 10.851 5.359 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 526 9.893 3.876 -0.078 1.00 0.00 H new ATOM 1562 N CYS A 527 5.093 3.952 -2.276 1.00 0.00 N ATOM 1563 CA CYS A 527 4.044 3.190 -2.937 1.00 0.00 C ATOM 1564 C CYS A 527 2.911 4.104 -3.395 1.00 0.00 C ATOM 1565 O CYS A 527 2.405 3.969 -4.505 1.00 0.00 O ATOM 1566 CB CYS A 527 3.491 2.130 -1.982 1.00 0.00 C ATOM 1567 SG CYS A 527 4.776 0.903 -1.633 1.00 0.00 S ATOM 0 H CYS A 527 5.146 3.818 -1.266 1.00 0.00 H new ATOM 0 HA CYS A 527 4.475 2.706 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 527 3.159 2.598 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 527 2.621 1.645 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 527 5.632 1.399 -0.790 1.00 0.00 H new ATOM 1573 N LEU A 528 2.509 5.030 -2.531 1.00 0.00 N ATOM 1574 CA LEU A 528 1.425 5.949 -2.866 1.00 0.00 C ATOM 1575 C LEU A 528 1.799 6.850 -4.038 1.00 0.00 C ATOM 1576 O LEU A 528 1.002 7.049 -4.955 1.00 0.00 O ATOM 1577 CB LEU A 528 1.078 6.816 -1.653 1.00 0.00 C ATOM 1578 CG LEU A 528 0.425 5.960 -0.557 1.00 0.00 C ATOM 1579 CD1 LEU A 528 0.316 6.793 0.724 1.00 0.00 C ATOM 1580 CD2 LEU A 528 -0.983 5.495 -0.994 1.00 0.00 C ATOM 0 H LEU A 528 2.911 5.164 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 528 0.561 5.350 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 528 1.980 7.289 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 528 0.401 7.616 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 528 1.040 5.077 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -0.146 6.195 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 528 1.311 7.103 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -0.295 7.676 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -1.428 4.890 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -1.611 6.365 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -0.904 4.901 -1.904 1.00 0.00 H new ATOM 1592 N LYS A 529 3.014 7.390 -4.010 1.00 0.00 N ATOM 1593 CA LYS A 529 3.461 8.267 -5.081 1.00 0.00 C ATOM 1594 C LYS A 529 3.520 7.512 -6.404 1.00 0.00 C ATOM 1595 O LYS A 529 3.098 8.027 -7.439 1.00 0.00 O ATOM 1596 CB LYS A 529 4.841 8.852 -4.752 1.00 0.00 C ATOM 1597 CG LYS A 529 4.717 9.889 -3.625 1.00 0.00 C ATOM 1598 CD LYS A 529 6.030 10.664 -3.478 1.00 0.00 C ATOM 1599 CE LYS A 529 7.186 9.698 -3.227 1.00 0.00 C ATOM 1600 NZ LYS A 529 6.750 8.638 -2.281 1.00 0.00 N ATOM 0 H LYS A 529 3.696 7.237 -3.267 1.00 0.00 H new ATOM 0 HA LYS A 529 2.744 9.082 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 529 5.521 8.055 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 529 5.269 9.317 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 529 3.901 10.578 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 529 4.472 9.391 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 529 6.221 11.245 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 529 5.953 11.372 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 529 7.511 9.251 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 529 8.041 10.236 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 529 7.585 8.159 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 529 6.200 9.066 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 529 6.159 7.946 -2.784 1.00 0.00 H new ATOM 1614 N GLU A 530 4.045 6.293 -6.366 1.00 0.00 N ATOM 1615 CA GLU A 530 4.152 5.482 -7.572 1.00 0.00 C ATOM 1616 C GLU A 530 2.785 4.955 -7.999 1.00 0.00 C ATOM 1617 O GLU A 530 2.419 5.036 -9.172 1.00 0.00 O ATOM 1618 CB GLU A 530 5.104 4.309 -7.328 1.00 0.00 C ATOM 1619 CG GLU A 530 5.310 3.532 -8.630 1.00 0.00 C ATOM 1620 CD GLU A 530 6.309 2.401 -8.408 1.00 0.00 C ATOM 1621 OE1 GLU A 530 6.545 2.061 -7.260 1.00 0.00 O ATOM 1622 OE2 GLU A 530 6.815 1.884 -9.391 1.00 0.00 O ATOM 0 H GLU A 530 4.401 5.847 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 530 4.545 6.110 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 530 6.061 4.676 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 530 4.696 3.651 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 530 4.359 3.126 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 530 5.673 4.202 -9.410 1.00 0.00 H new ATOM 1629 N ILE A 531 2.035 4.412 -7.044 1.00 0.00 N ATOM 1630 CA ILE A 531 0.712 3.878 -7.347 1.00 0.00 C ATOM 1631 C ILE A 531 -0.223 4.998 -7.785 1.00 0.00 C ATOM 1632 O ILE A 531 -0.967 4.851 -8.756 1.00 0.00 O ATOM 1633 CB ILE A 531 0.141 3.162 -6.117 1.00 0.00 C ATOM 1634 CG1 ILE A 531 0.955 1.892 -5.843 1.00 0.00 C ATOM 1635 CG2 ILE A 531 -1.321 2.779 -6.370 1.00 0.00 C ATOM 1636 CD1 ILE A 531 0.597 1.342 -4.461 1.00 0.00 C ATOM 0 H ILE A 531 2.316 4.331 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 531 0.801 3.161 -8.163 1.00 0.00 H new ATOM 0 HB ILE A 531 0.196 3.829 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 531 0.749 1.144 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 531 2.021 2.113 -5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 531 -1.721 2.271 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 531 -1.904 3.679 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 531 -1.379 2.115 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 531 1.176 0.439 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 531 0.826 2.090 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 531 -0.466 1.105 -4.428 1.00 0.00 H new ATOM 1648 N ASP A 532 -0.184 6.121 -7.070 1.00 0.00 N ATOM 1649 CA ASP A 532 -1.040 7.259 -7.402 1.00 0.00 C ATOM 1650 C ASP A 532 -0.353 8.579 -7.070 1.00 0.00 C ATOM 1651 O ASP A 532 -0.554 9.144 -5.995 1.00 0.00 O ATOM 1652 CB ASP A 532 -2.357 7.153 -6.632 1.00 0.00 C ATOM 1653 CG ASP A 532 -3.202 6.019 -7.206 1.00 0.00 C ATOM 1654 OD1 ASP A 532 -3.119 5.793 -8.402 1.00 0.00 O ATOM 1655 OD2 ASP A 532 -3.916 5.391 -6.441 1.00 0.00 O ATOM 0 H ASP A 532 0.425 6.267 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 532 -1.238 7.238 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 532 -2.158 6.972 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 532 -2.903 8.094 -6.696 1.00 0.00 H new ATOM 1660 N SER A 533 0.455 9.069 -8.004 1.00 0.00 N ATOM 1661 CA SER A 533 1.161 10.330 -7.806 1.00 0.00 C ATOM 1662 C SER A 533 0.168 11.462 -7.568 1.00 0.00 C ATOM 1663 O SER A 533 0.404 12.347 -6.746 1.00 0.00 O ATOM 1664 CB SER A 533 2.021 10.647 -9.030 1.00 0.00 C ATOM 1665 OG SER A 533 3.113 9.739 -9.085 1.00 0.00 O ATOM 0 H SER A 533 0.637 8.616 -8.900 1.00 0.00 H new ATOM 0 HA SER A 533 1.804 10.234 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 533 1.423 10.570 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 533 2.388 11.672 -8.975 1.00 0.00 H new ATOM 0 HG SER A 533 3.158 9.230 -8.249 1.00 0.00 H new ATOM 1671 N THR A 534 -0.950 11.420 -8.284 1.00 0.00 N ATOM 1672 CA THR A 534 -1.978 12.446 -8.138 1.00 0.00 C ATOM 1673 C THR A 534 -2.510 12.469 -6.706 1.00 0.00 C ATOM 1674 O THR A 534 -2.776 13.535 -6.150 1.00 0.00 O ATOM 1675 CB THR A 534 -3.132 12.174 -9.109 1.00 0.00 C ATOM 1676 OG1 THR A 534 -4.034 13.271 -9.086 1.00 0.00 O ATOM 1677 CG2 THR A 534 -3.865 10.899 -8.691 1.00 0.00 C ATOM 0 H THR A 534 -1.168 10.693 -8.966 1.00 0.00 H new ATOM 0 HA THR A 534 -1.534 13.415 -8.366 1.00 0.00 H new ATOM 0 HB THR A 534 -2.737 12.047 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 534 -4.772 13.100 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 534 -4.685 10.707 -9.383 1.00 0.00 H new ATOM 0 HG22 THR A 534 -3.172 10.058 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 534 -4.262 11.021 -7.683 1.00 0.00 H new ATOM 1685 N LEU A 535 -2.669 11.288 -6.114 1.00 0.00 N ATOM 1686 CA LEU A 535 -3.174 11.195 -4.746 1.00 0.00 C ATOM 1687 C LEU A 535 -2.219 11.888 -3.785 1.00 0.00 C ATOM 1688 O LEU A 535 -2.649 12.583 -2.865 1.00 0.00 O ATOM 1689 CB LEU A 535 -3.350 9.724 -4.329 1.00 0.00 C ATOM 1690 CG LEU A 535 -3.933 9.632 -2.880 1.00 0.00 C ATOM 1691 CD1 LEU A 535 -4.979 8.510 -2.807 1.00 0.00 C ATOM 1692 CD2 LEU A 535 -2.809 9.338 -1.870 1.00 0.00 C ATOM 0 H LEU A 535 -2.459 10.392 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 535 -4.145 11.689 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.016 9.219 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -2.390 9.209 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 535 -4.399 10.586 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -5.380 8.452 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -5.788 8.721 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -4.512 7.560 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -3.229 9.277 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -2.332 8.391 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -2.069 10.138 -1.906 1.00 0.00 H new ATOM 1704 N TYR A 536 -0.923 11.697 -3.999 1.00 0.00 N ATOM 1705 CA TYR A 536 0.075 12.313 -3.137 1.00 0.00 C ATOM 1706 C TYR A 536 -0.072 13.829 -3.175 1.00 0.00 C ATOM 1707 O TYR A 536 -0.009 14.497 -2.143 1.00 0.00 O ATOM 1708 CB TYR A 536 1.483 11.921 -3.595 1.00 0.00 C ATOM 1709 CG TYR A 536 2.508 12.639 -2.750 1.00 0.00 C ATOM 1710 CD1 TYR A 536 2.861 12.131 -1.494 1.00 0.00 C ATOM 1711 CD2 TYR A 536 3.106 13.813 -3.222 1.00 0.00 C ATOM 1712 CE1 TYR A 536 3.812 12.796 -0.711 1.00 0.00 C ATOM 1713 CE2 TYR A 536 4.057 14.478 -2.439 1.00 0.00 C ATOM 1714 CZ TYR A 536 4.410 13.970 -1.184 1.00 0.00 C ATOM 1715 OH TYR A 536 5.347 14.626 -0.412 1.00 0.00 O ATOM 0 H TYR A 536 -0.542 11.127 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 536 -0.078 11.961 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 536 1.617 10.843 -3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 536 1.619 12.177 -4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 536 2.399 11.225 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 536 2.834 14.206 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 536 4.084 12.403 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 536 4.518 15.384 -2.804 1.00 0.00 H new ATOM 0 HH TYR A 536 5.664 15.422 -0.888 1.00 0.00 H new ATOM 1725 N LYS A 537 -0.269 14.362 -4.375 1.00 0.00 N ATOM 1726 CA LYS A 537 -0.424 15.800 -4.549 1.00 0.00 C ATOM 1727 C LYS A 537 -1.730 16.283 -3.918 1.00 0.00 C ATOM 1728 O LYS A 537 -2.016 17.481 -3.913 1.00 0.00 O ATOM 1729 CB LYS A 537 -0.409 16.156 -6.045 1.00 0.00 C ATOM 1730 CG LYS A 537 -0.025 17.633 -6.230 1.00 0.00 C ATOM 1731 CD LYS A 537 0.148 17.942 -7.733 1.00 0.00 C ATOM 1732 CE LYS A 537 1.340 17.141 -8.313 1.00 0.00 C ATOM 1733 NZ LYS A 537 0.839 15.873 -8.917 1.00 0.00 N ATOM 0 H LYS A 537 -0.325 13.822 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 537 0.409 16.296 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 537 0.301 15.518 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -1.390 15.969 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -0.795 18.275 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 537 0.901 17.848 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 537 -0.765 17.688 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 537 0.315 19.010 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 537 1.859 17.735 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 537 2.062 16.921 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 1.398 15.073 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 -0.160 15.739 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 0.929 15.922 -9.952 1.00 0.00 H new ATOM 1747 N ASN A 538 -2.527 15.347 -3.397 1.00 0.00 N ATOM 1748 CA ASN A 538 -3.806 15.691 -2.768 1.00 0.00 C ATOM 1749 C ASN A 538 -3.781 15.358 -1.278 1.00 0.00 C ATOM 1750 O ASN A 538 -4.624 15.827 -0.514 1.00 0.00 O ATOM 1751 CB ASN A 538 -4.939 14.915 -3.445 1.00 0.00 C ATOM 1752 CG ASN A 538 -5.065 15.351 -4.901 1.00 0.00 C ATOM 1753 OD1 ASN A 538 -5.196 16.542 -5.184 1.00 0.00 O ATOM 1754 ND2 ASN A 538 -5.026 14.454 -5.847 1.00 0.00 N ATOM 0 H ASN A 538 -2.312 14.350 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 538 -3.972 16.762 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 538 -4.741 13.844 -3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 538 -5.878 15.092 -2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 538 -5.104 14.739 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 538 -4.917 13.468 -5.610 1.00 0.00 H new ATOM 1761 N LEU A 539 -2.810 14.541 -0.871 1.00 0.00 N ATOM 1762 CA LEU A 539 -2.684 14.142 0.534 1.00 0.00 C ATOM 1763 C LEU A 539 -1.795 15.113 1.317 1.00 0.00 C ATOM 1764 O LEU A 539 -2.289 16.001 2.010 1.00 0.00 O ATOM 1765 CB LEU A 539 -2.102 12.720 0.612 1.00 0.00 C ATOM 1766 CG LEU A 539 -1.812 12.323 2.071 1.00 0.00 C ATOM 1767 CD1 LEU A 539 -3.070 12.502 2.925 1.00 0.00 C ATOM 1768 CD2 LEU A 539 -1.365 10.854 2.115 1.00 0.00 C ATOM 0 H LEU A 539 -2.102 14.143 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 539 -3.676 14.163 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 539 -2.803 12.011 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 539 -1.184 12.666 0.027 1.00 0.00 H new ATOM 0 HG LEU A 539 -1.023 12.961 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 539 -2.854 12.218 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 539 -3.385 13.545 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 539 -3.868 11.870 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 539 -1.158 10.567 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 539 -2.156 10.221 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 539 -0.463 10.730 1.516 1.00 0.00 H new ATOM 1780 N PHE A 540 -0.484 14.922 1.216 1.00 0.00 N ATOM 1781 CA PHE A 540 0.478 15.760 1.929 1.00 0.00 C ATOM 1782 C PHE A 540 0.477 17.201 1.421 1.00 0.00 C ATOM 1783 O PHE A 540 0.748 18.133 2.178 1.00 0.00 O ATOM 1784 CB PHE A 540 1.881 15.176 1.771 1.00 0.00 C ATOM 1785 CG PHE A 540 1.943 13.832 2.454 1.00 0.00 C ATOM 1786 CD1 PHE A 540 2.216 13.752 3.824 1.00 0.00 C ATOM 1787 CD2 PHE A 540 1.727 12.663 1.714 1.00 0.00 C ATOM 1788 CE1 PHE A 540 2.273 12.503 4.455 1.00 0.00 C ATOM 1789 CE2 PHE A 540 1.783 11.414 2.345 1.00 0.00 C ATOM 1790 CZ PHE A 540 2.057 11.335 3.716 1.00 0.00 C ATOM 0 H PHE A 540 -0.060 14.191 0.645 1.00 0.00 H new ATOM 0 HA PHE A 540 0.183 15.774 2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.127 15.071 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 540 2.619 15.851 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 540 2.383 14.653 4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 540 1.517 12.725 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 540 2.484 12.442 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 540 1.615 10.512 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 540 2.102 10.372 4.203 1.00 0.00 H new ATOM 1800 N VAL A 541 0.206 17.378 0.137 1.00 0.00 N ATOM 1801 CA VAL A 541 0.200 18.714 -0.453 1.00 0.00 C ATOM 1802 C VAL A 541 -1.096 19.463 -0.137 1.00 0.00 C ATOM 1803 O VAL A 541 -1.118 20.360 0.706 1.00 0.00 O ATOM 1804 CB VAL A 541 0.377 18.601 -1.970 1.00 0.00 C ATOM 1805 CG1 VAL A 541 0.169 19.969 -2.630 1.00 0.00 C ATOM 1806 CG2 VAL A 541 1.787 18.093 -2.288 1.00 0.00 C ATOM 0 H VAL A 541 -0.011 16.623 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 541 1.026 19.280 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 541 -0.362 17.900 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 541 0.297 19.876 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 541 -0.837 20.328 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 541 0.899 20.677 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 541 1.910 18.014 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 541 2.524 18.790 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 541 1.932 17.113 -1.833 1.00 0.00 H new