USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 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 481 ASN : amide:sc= 1.09 K(o=1.7,f=-1.4!) USER MOD Set 1.2: A 527 CYS SG : rot 77:sc= 0.581 USER MOD Set 2.1: A 466 MET CE :methyl 153:sc= 0 (180deg=0) USER MOD Set 2.2: A 470 GLN : amide:sc= -0.682 X(o=-0.68,f=-1.1) 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= -2.24 X(o=-2.2,f=-2.1!) USER MOD Single : A 471 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.003) USER MOD Single : A 473 THR OG1 : rot 31:sc= 0.955 USER MOD Single : A 474 CYS SG : rot 54:sc= -0.894 USER MOD Single : A 484 LYS NZ :NH3+ 160:sc= -0.0607 (180deg=-0.486) USER MOD Single : A 486 ASN : amide:sc= -12.4! C(o=-12!,f=-13!) USER MOD Single : A 489 ASN : amide:sc= -7.1! C(o=-7.1!,f=-4.9!) USER MOD Single : A 490 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 491 GLN : amide:sc= -0.215 K(o=-0.21,f=-2!) USER MOD Single : A 493 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-4.8!) USER MOD Single : A 501 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 505 GLN : amide:sc= -0.982 K(o=-0.98,f=-0.15) USER MOD Single : A 512 THR OG1 : rot -30:sc= 0.177 USER MOD Single : A 516 LYS NZ :NH3+ 143:sc= -1.83! (180deg=-5.13!) USER MOD Single : A 518 ASN : amide:sc= -2.25 X(o=-2.3,f=-2.3) USER MOD Single : A 522 ASN : amide:sc= -1.66! C(o=-1.7!,f=-12!) USER MOD Single : A 525 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= -4.23! C(o=-4.2!,f=-3.7!) USER MOD Single : A 529 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 533 SER OG : rot 180:sc= 0 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+ 166:sc= -0.0247 (180deg=-0.31) USER MOD Single : A 538 ASN : amide:sc= -3.5! K(o=-3.5!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 385 N ASP A 456 5.017 15.322 11.434 1.00 0.00 N ATOM 386 CA ASP A 456 3.592 15.491 11.184 1.00 0.00 C ATOM 387 C ASP A 456 3.134 14.532 10.093 1.00 0.00 C ATOM 388 O ASP A 456 1.942 14.349 9.876 1.00 0.00 O ATOM 389 CB ASP A 456 3.307 16.931 10.751 1.00 0.00 C ATOM 390 CG ASP A 456 4.149 17.277 9.526 1.00 0.00 C ATOM 391 OD1 ASP A 456 4.746 16.372 8.967 1.00 0.00 O ATOM 392 OD2 ASP A 456 4.184 18.443 9.168 1.00 0.00 O ATOM 0 HA ASP A 456 3.047 15.274 12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 456 2.248 17.049 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 456 3.535 17.618 11.566 1.00 0.00 H new ATOM 397 N ASP A 457 4.099 13.909 9.426 1.00 0.00 N ATOM 398 CA ASP A 457 3.791 12.956 8.369 1.00 0.00 C ATOM 399 C ASP A 457 3.031 11.764 8.931 1.00 0.00 C ATOM 400 O ASP A 457 2.114 11.250 8.292 1.00 0.00 O ATOM 401 CB ASP A 457 5.092 12.472 7.721 1.00 0.00 C ATOM 402 CG ASP A 457 5.664 13.560 6.818 1.00 0.00 C ATOM 403 OD1 ASP A 457 4.983 14.551 6.609 1.00 0.00 O ATOM 404 OD2 ASP A 457 6.778 13.387 6.349 1.00 0.00 O ATOM 0 H ASP A 457 5.095 14.046 9.598 1.00 0.00 H new ATOM 0 HA ASP A 457 3.168 13.450 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.816 12.211 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 457 4.904 11.568 7.141 1.00 0.00 H new ATOM 409 N LEU A 458 3.413 11.329 10.127 1.00 0.00 N ATOM 410 CA LEU A 458 2.750 10.196 10.754 1.00 0.00 C ATOM 411 C LEU A 458 1.264 10.499 10.943 1.00 0.00 C ATOM 412 O LEU A 458 0.410 9.642 10.727 1.00 0.00 O ATOM 413 CB LEU A 458 3.392 9.875 12.106 1.00 0.00 C ATOM 414 CG LEU A 458 2.647 8.717 12.794 1.00 0.00 C ATOM 415 CD1 LEU A 458 2.561 7.499 11.856 1.00 0.00 C ATOM 416 CD2 LEU A 458 3.407 8.329 14.066 1.00 0.00 C ATOM 0 H LEU A 458 4.169 11.739 10.675 1.00 0.00 H new ATOM 0 HA LEU A 458 2.860 9.329 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 458 4.439 9.608 11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 458 3.372 10.759 12.744 1.00 0.00 H new ATOM 0 HG LEU A 458 1.635 9.037 13.041 1.00 0.00 H new ATOM 0 HD11 LEU A 458 2.031 6.690 12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 458 2.024 7.776 10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 458 3.567 7.168 11.596 1.00 0.00 H new ATOM 0 HD21 LEU A 458 2.889 7.509 14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 458 4.417 8.015 13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 458 3.456 9.187 14.737 1.00 0.00 H new ATOM 428 N SER A 459 0.964 11.722 11.366 1.00 0.00 N ATOM 429 CA SER A 459 -0.422 12.122 11.570 1.00 0.00 C ATOM 430 C SER A 459 -1.213 12.065 10.258 1.00 0.00 C ATOM 431 O SER A 459 -2.363 11.633 10.241 1.00 0.00 O ATOM 432 CB SER A 459 -0.479 13.541 12.138 1.00 0.00 C ATOM 433 OG SER A 459 0.145 13.561 13.415 1.00 0.00 O ATOM 0 H SER A 459 1.653 12.445 11.572 1.00 0.00 H new ATOM 0 HA SER A 459 -0.872 11.425 12.277 1.00 0.00 H new ATOM 0 HB2 SER A 459 0.023 14.235 11.464 1.00 0.00 H new ATOM 0 HB3 SER A 459 -1.515 13.870 12.221 1.00 0.00 H new ATOM 0 HG SER A 459 0.112 14.469 13.781 1.00 0.00 H new ATOM 439 N LEU A 460 -0.593 12.516 9.166 1.00 0.00 N ATOM 440 CA LEU A 460 -1.264 12.513 7.862 1.00 0.00 C ATOM 441 C LEU A 460 -1.637 11.098 7.412 1.00 0.00 C ATOM 442 O LEU A 460 -2.762 10.862 6.968 1.00 0.00 O ATOM 443 CB LEU A 460 -0.347 13.170 6.805 1.00 0.00 C ATOM 444 CG LEU A 460 -0.537 14.699 6.778 1.00 0.00 C ATOM 445 CD1 LEU A 460 0.099 15.350 8.030 1.00 0.00 C ATOM 446 CD2 LEU A 460 0.097 15.278 5.506 1.00 0.00 C ATOM 0 H LEU A 460 0.359 12.883 9.156 1.00 0.00 H new ATOM 0 HA LEU A 460 -2.188 13.082 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 460 0.694 12.934 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 460 -0.567 12.756 5.821 1.00 0.00 H new ATOM 0 HG LEU A 460 -1.605 14.918 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 460 -0.046 16.430 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 460 -0.374 14.952 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 460 1.166 15.128 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 460 -0.040 16.359 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 460 1.162 15.047 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 460 -0.380 14.840 4.630 1.00 0.00 H new ATOM 458 N ILE A 461 -0.705 10.162 7.524 1.00 0.00 N ATOM 459 CA ILE A 461 -0.987 8.786 7.126 1.00 0.00 C ATOM 460 C ILE A 461 -1.914 8.129 8.140 1.00 0.00 C ATOM 461 O ILE A 461 -2.790 7.342 7.777 1.00 0.00 O ATOM 462 CB ILE A 461 0.322 8.004 6.992 1.00 0.00 C ATOM 463 CG1 ILE A 461 0.026 6.540 6.661 1.00 0.00 C ATOM 464 CG2 ILE A 461 1.093 8.082 8.300 1.00 0.00 C ATOM 465 CD1 ILE A 461 1.337 5.820 6.327 1.00 0.00 C ATOM 0 H ILE A 461 0.237 10.323 7.880 1.00 0.00 H new ATOM 0 HA ILE A 461 -1.487 8.786 6.158 1.00 0.00 H new ATOM 0 HB ILE A 461 0.917 8.438 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.463 6.056 7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 461 -0.661 6.478 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.026 7.526 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 461 1.314 9.124 8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 461 0.493 7.652 9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 461 1.129 4.776 6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 461 1.807 6.300 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 461 2.009 5.871 7.184 1.00 0.00 H new ATOM 477 N ARG A 462 -1.719 8.458 9.414 1.00 0.00 N ATOM 478 CA ARG A 462 -2.541 7.891 10.475 1.00 0.00 C ATOM 479 C ARG A 462 -3.996 8.337 10.336 1.00 0.00 C ATOM 480 O ARG A 462 -4.915 7.534 10.490 1.00 0.00 O ATOM 481 CB ARG A 462 -1.997 8.322 11.842 1.00 0.00 C ATOM 482 CG ARG A 462 -2.836 7.688 12.957 1.00 0.00 C ATOM 483 CD ARG A 462 -2.171 7.948 14.309 1.00 0.00 C ATOM 484 NE ARG A 462 -0.935 7.178 14.414 1.00 0.00 N ATOM 485 CZ ARG A 462 -0.204 7.199 15.526 1.00 0.00 C ATOM 486 NH1 ARG A 462 -0.587 7.919 16.545 1.00 0.00 N ATOM 487 NH2 ARG A 462 0.895 6.497 15.598 1.00 0.00 N ATOM 0 H ARG A 462 -1.003 9.110 9.734 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.504 6.805 10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -0.955 8.019 11.941 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.022 9.408 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -3.843 8.104 12.950 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -2.933 6.616 12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -1.957 9.011 14.420 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -2.850 7.673 15.116 1.00 0.00 H new ATOM 0 HE ARG A 462 -0.627 6.614 13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -1.446 8.465 16.489 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -0.027 7.935 17.397 1.00 0.00 H new ATOM 0 HH21 ARG A 462 1.193 5.933 14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 462 1.455 6.513 16.450 1.00 0.00 H new ATOM 501 N LYS A 463 -4.202 9.620 10.042 1.00 0.00 N ATOM 502 CA LYS A 463 -5.557 10.150 9.892 1.00 0.00 C ATOM 503 C LYS A 463 -6.256 9.523 8.692 1.00 0.00 C ATOM 504 O LYS A 463 -7.446 9.209 8.750 1.00 0.00 O ATOM 505 CB LYS A 463 -5.524 11.669 9.733 1.00 0.00 C ATOM 506 CG LYS A 463 -5.230 12.323 11.087 1.00 0.00 C ATOM 507 CD LYS A 463 -5.093 13.836 10.905 1.00 0.00 C ATOM 508 CE LYS A 463 -4.728 14.482 12.241 1.00 0.00 C ATOM 509 NZ LYS A 463 -4.529 15.947 12.045 1.00 0.00 N ATOM 0 H LYS A 463 -3.458 10.305 9.904 1.00 0.00 H new ATOM 0 HA LYS A 463 -6.116 9.898 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -4.761 11.952 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.479 12.025 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -6.032 12.102 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -4.313 11.912 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -4.326 14.055 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.028 14.254 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.518 14.306 12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -3.819 14.031 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -4.281 16.388 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -3.761 16.105 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -5.407 16.371 11.683 1.00 0.00 H new ATOM 523 N ASN A 464 -5.512 9.347 7.606 1.00 0.00 N ATOM 524 CA ASN A 464 -6.075 8.772 6.388 1.00 0.00 C ATOM 525 C ASN A 464 -5.952 7.253 6.411 1.00 0.00 C ATOM 526 O ASN A 464 -6.261 6.581 5.428 1.00 0.00 O ATOM 527 CB ASN A 464 -5.341 9.328 5.169 1.00 0.00 C ATOM 528 CG ASN A 464 -5.659 10.810 5.006 1.00 0.00 C ATOM 529 OD1 ASN A 464 -6.706 11.273 5.461 1.00 0.00 O ATOM 530 ND2 ASN A 464 -4.815 11.585 4.387 1.00 0.00 N ATOM 0 H ASN A 464 -4.524 9.592 7.543 1.00 0.00 H new ATOM 0 HA ASN A 464 -7.130 9.038 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -4.266 9.188 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -5.639 8.782 4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -5.020 12.578 4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.949 11.199 4.011 1.00 0.00 H new ATOM 537 N ARG A 465 -5.498 6.721 7.541 1.00 0.00 N ATOM 538 CA ARG A 465 -5.337 5.280 7.680 1.00 0.00 C ATOM 539 C ARG A 465 -6.674 4.570 7.505 1.00 0.00 C ATOM 540 O ARG A 465 -6.786 3.615 6.738 1.00 0.00 O ATOM 541 CB ARG A 465 -4.761 4.953 9.057 1.00 0.00 C ATOM 542 CG ARG A 465 -4.485 3.454 9.161 1.00 0.00 C ATOM 543 CD ARG A 465 -3.988 3.126 10.571 1.00 0.00 C ATOM 544 NE ARG A 465 -2.713 3.788 10.817 1.00 0.00 N ATOM 545 CZ ARG A 465 -1.563 3.219 10.470 1.00 0.00 C ATOM 546 NH1 ARG A 465 -1.562 2.046 9.900 1.00 0.00 N ATOM 547 NH2 ARG A 465 -0.437 3.836 10.701 1.00 0.00 N ATOM 0 H ARG A 465 -5.237 7.261 8.366 1.00 0.00 H new ATOM 0 HA ARG A 465 -4.652 4.933 6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -3.840 5.513 9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.460 5.258 9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -5.392 2.890 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -3.740 3.158 8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -4.723 3.449 11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -3.875 2.048 10.684 1.00 0.00 H new ATOM 0 HE ARG A 465 -2.703 4.705 11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -2.444 1.565 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -0.680 1.609 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -0.440 4.753 11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 465 0.447 3.401 10.436 1.00 0.00 H new ATOM 561 N MET A 466 -7.688 5.050 8.218 1.00 0.00 N ATOM 562 CA MET A 466 -9.016 4.455 8.133 1.00 0.00 C ATOM 563 C MET A 466 -9.634 4.722 6.764 1.00 0.00 C ATOM 564 O MET A 466 -10.339 3.879 6.214 1.00 0.00 O ATOM 565 CB MET A 466 -9.921 5.026 9.226 1.00 0.00 C ATOM 566 CG MET A 466 -11.270 4.300 9.217 1.00 0.00 C ATOM 567 SD MET A 466 -12.330 4.975 7.910 1.00 0.00 S ATOM 568 CE MET A 466 -13.790 3.947 8.213 1.00 0.00 C ATOM 0 H MET A 466 -7.617 5.843 8.856 1.00 0.00 H new ATOM 0 HA MET A 466 -8.920 3.378 8.273 1.00 0.00 H new ATOM 0 HB2 MET A 466 -9.445 4.915 10.200 1.00 0.00 H new ATOM 0 HB3 MET A 466 -10.071 6.094 9.065 1.00 0.00 H new ATOM 0 HG2 MET A 466 -11.117 3.233 9.057 1.00 0.00 H new ATOM 0 HG3 MET A 466 -11.758 4.410 10.185 1.00 0.00 H new ATOM 0 HE1 MET A 466 -14.683 4.478 7.884 1.00 0.00 H new ATOM 0 HE2 MET A 466 -13.698 3.012 7.660 1.00 0.00 H new ATOM 0 HE3 MET A 466 -13.868 3.731 9.279 1.00 0.00 H new ATOM 578 N ALA A 467 -9.365 5.907 6.224 1.00 0.00 N ATOM 579 CA ALA A 467 -9.909 6.284 4.930 1.00 0.00 C ATOM 580 C ALA A 467 -9.481 5.298 3.854 1.00 0.00 C ATOM 581 O ALA A 467 -10.276 4.924 2.997 1.00 0.00 O ATOM 582 CB ALA A 467 -9.426 7.686 4.562 1.00 0.00 C ATOM 0 H ALA A 467 -8.777 6.616 6.661 1.00 0.00 H new ATOM 0 HA ALA A 467 -10.997 6.273 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 467 -9.834 7.968 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 467 -9.762 8.396 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 467 -8.337 7.695 4.514 1.00 0.00 H new ATOM 588 N LEU A 468 -8.221 4.882 3.901 1.00 0.00 N ATOM 589 CA LEU A 468 -7.708 3.949 2.905 1.00 0.00 C ATOM 590 C LEU A 468 -8.452 2.622 2.990 1.00 0.00 C ATOM 591 O LEU A 468 -8.745 2.000 1.967 1.00 0.00 O ATOM 592 CB LEU A 468 -6.222 3.705 3.163 1.00 0.00 C ATOM 593 CG LEU A 468 -5.414 4.963 2.818 1.00 0.00 C ATOM 594 CD1 LEU A 468 -4.002 4.823 3.394 1.00 0.00 C ATOM 595 CD2 LEU A 468 -5.326 5.156 1.291 1.00 0.00 C ATOM 0 H LEU A 468 -7.544 5.171 4.607 1.00 0.00 H new ATOM 0 HA LEU A 468 -7.853 4.376 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -6.065 3.438 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -5.874 2.864 2.563 1.00 0.00 H new ATOM 0 HG LEU A 468 -5.914 5.831 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -3.421 5.713 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -4.060 4.710 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -3.518 3.946 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -4.749 6.054 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -4.837 4.291 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -6.330 5.260 0.879 1.00 0.00 H new ATOM 607 N PHE A 469 -8.769 2.200 4.208 1.00 0.00 N ATOM 608 CA PHE A 469 -9.477 0.941 4.405 1.00 0.00 C ATOM 609 C PHE A 469 -10.786 0.944 3.617 1.00 0.00 C ATOM 610 O PHE A 469 -11.126 -0.033 2.951 1.00 0.00 O ATOM 611 CB PHE A 469 -9.750 0.728 5.899 1.00 0.00 C ATOM 612 CG PHE A 469 -10.668 -0.460 6.088 1.00 0.00 C ATOM 613 CD1 PHE A 469 -10.189 -1.755 5.867 1.00 0.00 C ATOM 614 CD2 PHE A 469 -11.999 -0.262 6.477 1.00 0.00 C ATOM 615 CE1 PHE A 469 -11.041 -2.852 6.036 1.00 0.00 C ATOM 616 CE2 PHE A 469 -12.850 -1.357 6.645 1.00 0.00 C ATOM 617 CZ PHE A 469 -12.372 -2.655 6.423 1.00 0.00 C ATOM 0 H PHE A 469 -8.550 2.705 5.067 1.00 0.00 H new ATOM 0 HA PHE A 469 -8.858 0.121 4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 469 -8.812 0.563 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 469 -10.204 1.622 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 469 -9.163 -1.908 5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 469 -12.368 0.739 6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 469 -10.671 -3.853 5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 469 -13.876 -1.203 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 469 -13.029 -3.502 6.550 1.00 0.00 H new ATOM 627 N GLN A 470 -11.513 2.053 3.704 1.00 0.00 N ATOM 628 CA GLN A 470 -12.784 2.182 3.002 1.00 0.00 C ATOM 629 C GLN A 470 -12.568 2.723 1.592 1.00 0.00 C ATOM 630 O GLN A 470 -13.526 2.959 0.854 1.00 0.00 O ATOM 631 CB GLN A 470 -13.718 3.108 3.783 1.00 0.00 C ATOM 632 CG GLN A 470 -12.966 4.380 4.185 1.00 0.00 C ATOM 633 CD GLN A 470 -13.912 5.354 4.883 1.00 0.00 C ATOM 634 OE1 GLN A 470 -14.972 4.951 5.362 1.00 0.00 O ATOM 635 NE2 GLN A 470 -13.592 6.618 4.981 1.00 0.00 N ATOM 0 H GLN A 470 -11.245 2.871 4.251 1.00 0.00 H new ATOM 0 HA GLN A 470 -13.240 1.195 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 470 -14.585 3.364 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 470 -14.091 2.599 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 470 -12.138 4.128 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 470 -12.535 4.851 3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 470 -12.714 6.954 4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 470 -14.220 7.268 5.454 1.00 0.00 H new ATOM 644 N GLN A 471 -11.303 2.924 1.224 1.00 0.00 N ATOM 645 CA GLN A 471 -10.955 3.425 -0.111 1.00 0.00 C ATOM 646 C GLN A 471 -9.811 2.616 -0.707 1.00 0.00 C ATOM 647 O GLN A 471 -8.978 3.145 -1.443 1.00 0.00 O ATOM 648 CB GLN A 471 -10.541 4.890 -0.007 1.00 0.00 C ATOM 649 CG GLN A 471 -11.767 5.739 0.311 1.00 0.00 C ATOM 650 CD GLN A 471 -11.328 7.122 0.776 1.00 0.00 C ATOM 651 OE1 GLN A 471 -10.597 7.814 0.066 1.00 0.00 O ATOM 652 NE2 GLN A 471 -11.737 7.564 1.933 1.00 0.00 N ATOM 0 H GLN A 471 -10.501 2.749 1.829 1.00 0.00 H new ATOM 0 HA GLN A 471 -11.825 3.328 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 471 -9.788 5.013 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 471 -10.089 5.219 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 471 -12.400 5.826 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 471 -12.364 5.257 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 471 -12.342 6.985 2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 471 -11.452 8.489 2.256 1.00 0.00 H new ATOM 661 N LEU A 472 -9.774 1.326 -0.382 1.00 0.00 N ATOM 662 CA LEU A 472 -8.721 0.442 -0.883 1.00 0.00 C ATOM 663 C LEU A 472 -8.944 0.140 -2.362 1.00 0.00 C ATOM 664 O LEU A 472 -10.081 -0.001 -2.810 1.00 0.00 O ATOM 665 CB LEU A 472 -8.721 -0.861 -0.067 1.00 0.00 C ATOM 666 CG LEU A 472 -9.934 -1.753 -0.467 1.00 0.00 C ATOM 667 CD1 LEU A 472 -9.498 -2.840 -1.464 1.00 0.00 C ATOM 668 CD2 LEU A 472 -10.520 -2.429 0.784 1.00 0.00 C ATOM 0 H LEU A 472 -10.457 0.870 0.223 1.00 0.00 H new ATOM 0 HA LEU A 472 -7.755 0.935 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.791 -1.404 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -8.766 -0.631 0.997 1.00 0.00 H new ATOM 0 HG LEU A 472 -10.687 -1.118 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -10.358 -3.454 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -9.093 -2.370 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -8.733 -3.468 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -11.368 -3.051 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -9.757 -3.049 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -10.851 -1.666 1.488 1.00 0.00 H new ATOM 680 N THR A 473 -7.852 0.046 -3.117 1.00 0.00 N ATOM 681 CA THR A 473 -7.945 -0.239 -4.548 1.00 0.00 C ATOM 682 C THR A 473 -6.610 -0.755 -5.077 1.00 0.00 C ATOM 683 O THR A 473 -6.492 -1.108 -6.249 1.00 0.00 O ATOM 684 CB THR A 473 -8.345 1.032 -5.314 1.00 0.00 C ATOM 685 OG1 THR A 473 -7.731 1.029 -6.594 1.00 0.00 O ATOM 686 CG2 THR A 473 -7.886 2.269 -4.536 1.00 0.00 C ATOM 0 H THR A 473 -6.901 0.162 -2.767 1.00 0.00 H new ATOM 0 HA THR A 473 -8.705 -1.005 -4.698 1.00 0.00 H new ATOM 0 HB THR A 473 -9.429 1.055 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 473 -7.623 0.105 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 473 -8.171 3.168 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 473 -8.357 2.276 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 473 -6.803 2.244 -4.419 1.00 0.00 H new ATOM 694 N CYS A 474 -5.606 -0.791 -4.205 1.00 0.00 N ATOM 695 CA CYS A 474 -4.276 -1.263 -4.589 1.00 0.00 C ATOM 696 C CYS A 474 -3.557 -1.867 -3.388 1.00 0.00 C ATOM 697 O CYS A 474 -2.794 -1.184 -2.703 1.00 0.00 O ATOM 698 CB CYS A 474 -3.457 -0.094 -5.147 1.00 0.00 C ATOM 699 SG CYS A 474 -3.688 1.358 -4.091 1.00 0.00 S ATOM 0 H CYS A 474 -5.686 -0.500 -3.231 1.00 0.00 H new ATOM 0 HA CYS A 474 -4.384 -2.032 -5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 474 -2.401 -0.362 -5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 474 -3.770 0.130 -6.167 1.00 0.00 H new ATOM 0 HG CYS A 474 -3.420 1.045 -2.858 1.00 0.00 H new ATOM 705 N VAL A 475 -3.805 -3.152 -3.136 1.00 0.00 N ATOM 706 CA VAL A 475 -3.185 -3.850 -2.007 1.00 0.00 C ATOM 707 C VAL A 475 -2.126 -4.831 -2.505 1.00 0.00 C ATOM 708 O VAL A 475 -1.328 -5.346 -1.727 1.00 0.00 O ATOM 709 CB VAL A 475 -4.258 -4.596 -1.207 1.00 0.00 C ATOM 710 CG1 VAL A 475 -3.695 -5.011 0.154 1.00 0.00 C ATOM 711 CG2 VAL A 475 -5.462 -3.675 -0.995 1.00 0.00 C ATOM 0 H VAL A 475 -4.430 -3.731 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 475 -2.702 -3.117 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 475 -4.564 -5.485 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 475 -4.462 -5.541 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 475 -2.835 -5.665 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 475 -3.386 -4.123 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 475 -6.228 -4.202 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 475 -5.149 -2.787 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 475 -5.868 -3.379 -1.962 1.00 0.00 H new ATOM 721 N LEU A 476 -2.122 -5.079 -3.813 1.00 0.00 N ATOM 722 CA LEU A 476 -1.158 -6.001 -4.412 1.00 0.00 C ATOM 723 C LEU A 476 0.205 -5.325 -4.620 1.00 0.00 C ATOM 724 O LEU A 476 1.200 -5.757 -4.042 1.00 0.00 O ATOM 725 CB LEU A 476 -1.702 -6.537 -5.756 1.00 0.00 C ATOM 726 CG LEU A 476 -2.503 -7.831 -5.548 1.00 0.00 C ATOM 727 CD1 LEU A 476 -3.697 -7.566 -4.628 1.00 0.00 C ATOM 728 CD2 LEU A 476 -3.007 -8.327 -6.906 1.00 0.00 C ATOM 0 H LEU A 476 -2.772 -4.657 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 476 -1.016 -6.836 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -2.336 -5.783 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -0.874 -6.724 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 476 -1.863 -8.584 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -4.259 -8.489 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -3.340 -7.207 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.344 -6.813 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -3.577 -9.246 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -3.646 -7.567 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -2.157 -8.521 -7.561 1.00 0.00 H new ATOM 740 N PRO A 477 0.285 -4.299 -5.440 1.00 0.00 N ATOM 741 CA PRO A 477 1.580 -3.599 -5.714 1.00 0.00 C ATOM 742 C PRO A 477 2.237 -3.059 -4.441 1.00 0.00 C ATOM 743 O PRO A 477 3.457 -3.126 -4.288 1.00 0.00 O ATOM 744 CB PRO A 477 1.184 -2.451 -6.671 1.00 0.00 C ATOM 745 CG PRO A 477 -0.289 -2.282 -6.481 1.00 0.00 C ATOM 746 CD PRO A 477 -0.821 -3.681 -6.193 1.00 0.00 C ATOM 0 HA PRO A 477 2.323 -4.273 -6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 477 1.721 -1.533 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 477 1.423 -2.699 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 477 -0.504 -1.602 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 477 -0.755 -1.860 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 477 -1.742 -3.652 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 477 -1.042 -4.227 -7.110 1.00 0.00 H new ATOM 754 N ILE A 478 1.428 -2.522 -3.537 1.00 0.00 N ATOM 755 CA ILE A 478 1.955 -1.969 -2.294 1.00 0.00 C ATOM 756 C ILE A 478 2.478 -3.075 -1.380 1.00 0.00 C ATOM 757 O ILE A 478 3.532 -2.932 -0.758 1.00 0.00 O ATOM 758 CB ILE A 478 0.859 -1.170 -1.585 1.00 0.00 C ATOM 759 CG1 ILE A 478 1.473 -0.364 -0.432 1.00 0.00 C ATOM 760 CG2 ILE A 478 -0.198 -2.127 -1.037 1.00 0.00 C ATOM 761 CD1 ILE A 478 0.452 0.647 0.107 1.00 0.00 C ATOM 0 H ILE A 478 0.415 -2.457 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 478 2.789 -1.309 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 478 0.394 -0.486 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 478 1.786 -1.037 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 478 2.365 0.158 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.978 -1.557 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.636 -2.694 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.265 -2.814 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 478 0.898 1.214 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 478 0.160 1.330 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -0.428 0.117 0.471 1.00 0.00 H new ATOM 773 N LEU A 479 1.738 -4.177 -1.306 1.00 0.00 N ATOM 774 CA LEU A 479 2.145 -5.301 -0.468 1.00 0.00 C ATOM 775 C LEU A 479 3.467 -5.871 -0.958 1.00 0.00 C ATOM 776 O LEU A 479 4.344 -6.203 -0.162 1.00 0.00 O ATOM 777 CB LEU A 479 1.062 -6.388 -0.494 1.00 0.00 C ATOM 778 CG LEU A 479 1.504 -7.612 0.320 1.00 0.00 C ATOM 779 CD1 LEU A 479 1.836 -7.198 1.762 1.00 0.00 C ATOM 780 CD2 LEU A 479 0.368 -8.640 0.325 1.00 0.00 C ATOM 0 H LEU A 479 0.862 -4.316 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 479 2.274 -4.950 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 479 0.131 -5.991 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 479 0.860 -6.683 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 479 2.396 -8.046 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 479 2.148 -8.075 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 479 2.643 -6.465 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 479 0.953 -6.760 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 479 0.671 -9.514 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 479 -0.520 -8.198 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 479 0.144 -8.940 -0.699 1.00 0.00 H new ATOM 792 N ASP A 480 3.606 -5.981 -2.274 1.00 0.00 N ATOM 793 CA ASP A 480 4.829 -6.514 -2.855 1.00 0.00 C ATOM 794 C ASP A 480 6.014 -5.613 -2.525 1.00 0.00 C ATOM 795 O ASP A 480 7.120 -6.094 -2.283 1.00 0.00 O ATOM 796 CB ASP A 480 4.684 -6.631 -4.373 1.00 0.00 C ATOM 797 CG ASP A 480 5.889 -7.362 -4.954 1.00 0.00 C ATOM 798 OD1 ASP A 480 6.832 -7.589 -4.217 1.00 0.00 O ATOM 799 OD2 ASP A 480 5.852 -7.680 -6.132 1.00 0.00 O ATOM 0 H ASP A 480 2.894 -5.711 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 480 5.007 -7.503 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 480 3.768 -7.168 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 480 4.601 -5.639 -4.817 1.00 0.00 H new ATOM 804 N ASN A 481 5.780 -4.303 -2.519 1.00 0.00 N ATOM 805 CA ASN A 481 6.845 -3.354 -2.219 1.00 0.00 C ATOM 806 C ASN A 481 7.344 -3.547 -0.788 1.00 0.00 C ATOM 807 O ASN A 481 8.550 -3.608 -0.542 1.00 0.00 O ATOM 808 CB ASN A 481 6.321 -1.927 -2.391 1.00 0.00 C ATOM 809 CG ASN A 481 6.184 -1.596 -3.874 1.00 0.00 C ATOM 810 OD1 ASN A 481 6.861 -2.194 -4.710 1.00 0.00 O ATOM 811 ND2 ASN A 481 5.336 -0.678 -4.250 1.00 0.00 N ATOM 0 H ASN A 481 4.873 -3.880 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 481 7.674 -3.527 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 481 5.355 -1.823 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 481 7.001 -1.221 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 481 5.232 -0.454 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 481 4.777 -0.185 -3.554 1.00 0.00 H new ATOM 818 N LEU A 482 6.409 -3.642 0.150 1.00 0.00 N ATOM 819 CA LEU A 482 6.754 -3.832 1.555 1.00 0.00 C ATOM 820 C LEU A 482 7.400 -5.199 1.780 1.00 0.00 C ATOM 821 O LEU A 482 8.321 -5.340 2.582 1.00 0.00 O ATOM 822 CB LEU A 482 5.501 -3.714 2.435 1.00 0.00 C ATOM 823 CG LEU A 482 5.171 -2.222 2.682 1.00 0.00 C ATOM 824 CD1 LEU A 482 3.668 -2.049 2.925 1.00 0.00 C ATOM 825 CD2 LEU A 482 5.942 -1.708 3.905 1.00 0.00 C ATOM 0 H LEU A 482 5.407 -3.591 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 482 7.467 -3.054 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 482 4.658 -4.207 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 482 5.664 -4.222 3.386 1.00 0.00 H new ATOM 0 HG LEU A 482 5.464 -1.651 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 482 3.446 -0.996 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 482 3.116 -2.398 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 482 3.371 -2.630 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 482 5.703 -0.657 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 482 5.659 -2.287 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 482 7.013 -1.814 3.731 1.00 0.00 H new ATOM 837 N LEU A 483 6.888 -6.204 1.078 1.00 0.00 N ATOM 838 CA LEU A 483 7.401 -7.564 1.211 1.00 0.00 C ATOM 839 C LEU A 483 8.911 -7.578 0.962 1.00 0.00 C ATOM 840 O LEU A 483 9.629 -8.431 1.479 1.00 0.00 O ATOM 841 CB LEU A 483 6.675 -8.485 0.208 1.00 0.00 C ATOM 842 CG LEU A 483 7.209 -9.926 0.301 1.00 0.00 C ATOM 843 CD1 LEU A 483 7.028 -10.442 1.732 1.00 0.00 C ATOM 844 CD2 LEU A 483 6.458 -10.844 -0.669 1.00 0.00 C ATOM 0 H LEU A 483 6.121 -6.104 0.413 1.00 0.00 H new ATOM 0 HA LEU A 483 7.217 -7.928 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 483 5.604 -8.476 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 483 6.812 -8.106 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 483 8.266 -9.926 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 483 7.405 -11.462 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 483 7.580 -9.803 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 483 5.970 -10.428 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 483 6.850 -11.858 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 483 5.397 -10.845 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 483 6.592 -10.483 -1.689 1.00 0.00 H new ATOM 856 N LYS A 484 9.386 -6.626 0.167 1.00 0.00 N ATOM 857 CA LYS A 484 10.812 -6.542 -0.143 1.00 0.00 C ATOM 858 C LYS A 484 11.632 -6.366 1.135 1.00 0.00 C ATOM 859 O LYS A 484 12.669 -7.008 1.308 1.00 0.00 O ATOM 860 CB LYS A 484 11.068 -5.355 -1.081 1.00 0.00 C ATOM 861 CG LYS A 484 12.547 -5.313 -1.508 1.00 0.00 C ATOM 862 CD LYS A 484 12.784 -4.164 -2.498 1.00 0.00 C ATOM 863 CE LYS A 484 14.255 -4.149 -2.912 1.00 0.00 C ATOM 864 NZ LYS A 484 14.565 -5.386 -3.680 1.00 0.00 N ATOM 0 H LYS A 484 8.812 -5.906 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 484 11.116 -7.469 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 484 10.431 -5.436 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 484 10.802 -4.424 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 484 13.182 -5.184 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 484 12.827 -6.261 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 484 12.149 -4.288 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 484 12.514 -3.213 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 484 14.464 -3.269 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 484 14.892 -4.086 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 484 15.428 -5.239 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 484 14.712 -6.177 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 484 13.772 -5.608 -4.316 1.00 0.00 H new ATOM 878 N ALA A 485 11.169 -5.494 2.028 1.00 0.00 N ATOM 879 CA ALA A 485 11.877 -5.252 3.284 1.00 0.00 C ATOM 880 C ALA A 485 10.903 -4.864 4.394 1.00 0.00 C ATOM 881 O ALA A 485 10.476 -3.715 4.483 1.00 0.00 O ATOM 882 CB ALA A 485 12.902 -4.133 3.095 1.00 0.00 C ATOM 0 H ALA A 485 10.316 -4.948 1.908 1.00 0.00 H new ATOM 0 HA ALA A 485 12.384 -6.173 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 485 13.426 -3.957 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 485 13.620 -4.423 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 485 12.392 -3.220 2.788 1.00 0.00 H new ATOM 888 N ASN A 486 10.559 -5.835 5.236 1.00 0.00 N ATOM 889 CA ASN A 486 9.633 -5.584 6.335 1.00 0.00 C ATOM 890 C ASN A 486 9.757 -6.666 7.405 1.00 0.00 C ATOM 891 O ASN A 486 10.624 -7.537 7.325 1.00 0.00 O ATOM 892 CB ASN A 486 8.201 -5.536 5.812 1.00 0.00 C ATOM 893 CG ASN A 486 7.953 -6.684 4.845 1.00 0.00 C ATOM 894 OD1 ASN A 486 6.890 -6.754 4.228 1.00 0.00 O ATOM 895 ND2 ASN A 486 8.872 -7.595 4.672 1.00 0.00 N ATOM 0 H ASN A 486 10.904 -6.793 5.179 1.00 0.00 H new ATOM 0 HA ASN A 486 9.885 -4.623 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 486 7.500 -5.595 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 486 8.021 -4.585 5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 486 8.710 -8.366 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 486 9.752 -7.535 5.184 1.00 0.00 H new ATOM 902 N VAL A 487 8.884 -6.599 8.406 1.00 0.00 N ATOM 903 CA VAL A 487 8.902 -7.574 9.489 1.00 0.00 C ATOM 904 C VAL A 487 8.264 -8.884 9.033 1.00 0.00 C ATOM 905 O VAL A 487 8.599 -9.959 9.532 1.00 0.00 O ATOM 906 CB VAL A 487 8.144 -7.027 10.698 1.00 0.00 C ATOM 907 CG1 VAL A 487 8.820 -5.744 11.185 1.00 0.00 C ATOM 908 CG2 VAL A 487 6.701 -6.718 10.296 1.00 0.00 C ATOM 0 H VAL A 487 8.161 -5.885 8.489 1.00 0.00 H new ATOM 0 HA VAL A 487 9.938 -7.763 9.769 1.00 0.00 H new ATOM 0 HB VAL A 487 8.150 -7.769 11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 487 8.280 -5.353 12.047 1.00 0.00 H new ATOM 0 HG12 VAL A 487 9.850 -5.961 11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 487 8.813 -5.003 10.386 1.00 0.00 H new ATOM 0 HG21 VAL A 487 6.159 -6.328 11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 487 6.697 -5.976 9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 487 6.218 -7.630 9.946 1.00 0.00 H new ATOM 918 N ILE A 488 7.347 -8.785 8.076 1.00 0.00 N ATOM 919 CA ILE A 488 6.672 -9.964 7.545 1.00 0.00 C ATOM 920 C ILE A 488 7.566 -10.676 6.537 1.00 0.00 C ATOM 921 O ILE A 488 8.270 -10.036 5.757 1.00 0.00 O ATOM 922 CB ILE A 488 5.354 -9.557 6.876 1.00 0.00 C ATOM 923 CG1 ILE A 488 5.628 -8.520 5.785 1.00 0.00 C ATOM 924 CG2 ILE A 488 4.411 -8.960 7.922 1.00 0.00 C ATOM 925 CD1 ILE A 488 4.346 -8.259 4.993 1.00 0.00 C ATOM 0 H ILE A 488 7.055 -7.904 7.653 1.00 0.00 H new ATOM 0 HA ILE A 488 6.459 -10.645 8.369 1.00 0.00 H new ATOM 0 HB ILE A 488 4.891 -10.437 6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 488 5.987 -7.593 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 488 6.413 -8.877 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 488 3.474 -8.671 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 488 4.211 -9.701 8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 488 4.875 -8.082 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 488 4.542 -7.520 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 488 4.007 -9.187 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 488 3.574 -7.883 5.664 1.00 0.00 H new ATOM 937 N ASN A 489 7.536 -12.007 6.564 1.00 0.00 N ATOM 938 CA ASN A 489 8.354 -12.812 5.652 1.00 0.00 C ATOM 939 C ASN A 489 7.462 -13.650 4.746 1.00 0.00 C ATOM 940 O ASN A 489 6.236 -13.544 4.791 1.00 0.00 O ATOM 941 CB ASN A 489 9.275 -13.736 6.455 1.00 0.00 C ATOM 942 CG ASN A 489 8.456 -14.593 7.416 1.00 0.00 C ATOM 943 OD1 ASN A 489 8.630 -15.809 7.462 1.00 0.00 O ATOM 944 ND2 ASN A 489 7.568 -14.029 8.188 1.00 0.00 N ATOM 0 H ASN A 489 6.957 -12.551 7.204 1.00 0.00 H new ATOM 0 HA ASN A 489 8.957 -12.141 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 489 9.840 -14.376 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 489 10.000 -13.143 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 489 7.017 -14.597 8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 489 7.425 -13.020 8.148 1.00 0.00 H new ATOM 951 N LYS A 490 8.087 -14.481 3.920 1.00 0.00 N ATOM 952 CA LYS A 490 7.341 -15.333 3.006 1.00 0.00 C ATOM 953 C LYS A 490 6.352 -16.205 3.770 1.00 0.00 C ATOM 954 O LYS A 490 5.535 -16.895 3.172 1.00 0.00 O ATOM 955 CB LYS A 490 8.312 -16.212 2.209 1.00 0.00 C ATOM 956 CG LYS A 490 7.607 -16.765 0.964 1.00 0.00 C ATOM 957 CD LYS A 490 8.609 -17.533 0.091 1.00 0.00 C ATOM 958 CE LYS A 490 8.986 -18.864 0.749 1.00 0.00 C ATOM 959 NZ LYS A 490 9.611 -19.755 -0.269 1.00 0.00 N ATOM 0 H LYS A 490 9.101 -14.582 3.865 1.00 0.00 H new ATOM 0 HA LYS A 490 6.780 -14.701 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 490 9.186 -15.631 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 490 8.669 -17.033 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 490 6.791 -17.424 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 490 7.166 -15.948 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 490 8.177 -17.717 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 490 9.504 -16.930 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 490 9.678 -18.692 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 490 8.100 -19.339 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 490 9.869 -20.660 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 490 8.936 -19.927 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 490 10.465 -19.301 -0.651 1.00 0.00 H new ATOM 973 N GLN A 491 6.432 -16.170 5.097 1.00 0.00 N ATOM 974 CA GLN A 491 5.536 -16.968 5.931 1.00 0.00 C ATOM 975 C GLN A 491 4.199 -16.254 6.124 1.00 0.00 C ATOM 976 O GLN A 491 3.166 -16.708 5.631 1.00 0.00 O ATOM 977 CB GLN A 491 6.183 -17.220 7.292 1.00 0.00 C ATOM 978 CG GLN A 491 5.313 -18.186 8.098 1.00 0.00 C ATOM 979 CD GLN A 491 5.312 -19.559 7.436 1.00 0.00 C ATOM 980 OE1 GLN A 491 6.231 -19.890 6.687 1.00 0.00 O ATOM 981 NE2 GLN A 491 4.327 -20.383 7.669 1.00 0.00 N ATOM 0 H GLN A 491 7.102 -15.603 5.616 1.00 0.00 H new ATOM 0 HA GLN A 491 5.355 -17.919 5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 491 7.182 -17.636 7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 491 6.298 -16.280 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 491 5.690 -18.265 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 491 4.294 -17.804 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 491 3.567 -20.106 8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 491 4.318 -21.304 7.230 1.00 0.00 H new ATOM 990 N GLU A 492 4.226 -15.138 6.845 1.00 0.00 N ATOM 991 CA GLU A 492 3.010 -14.374 7.103 1.00 0.00 C ATOM 992 C GLU A 492 2.439 -13.829 5.798 1.00 0.00 C ATOM 993 O GLU A 492 1.224 -13.773 5.617 1.00 0.00 O ATOM 994 CB GLU A 492 3.310 -13.220 8.061 1.00 0.00 C ATOM 995 CG GLU A 492 3.681 -13.779 9.440 1.00 0.00 C ATOM 996 CD GLU A 492 3.965 -12.634 10.409 1.00 0.00 C ATOM 997 OE1 GLU A 492 3.767 -11.494 10.021 1.00 0.00 O ATOM 998 OE2 GLU A 492 4.375 -12.915 11.522 1.00 0.00 O ATOM 0 H GLU A 492 5.071 -14.744 7.259 1.00 0.00 H new ATOM 0 HA GLU A 492 2.274 -15.035 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 492 4.128 -12.614 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 492 2.441 -12.567 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 492 2.868 -14.396 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 492 4.557 -14.422 9.357 1.00 0.00 H new ATOM 1005 N HIS A 493 3.322 -13.433 4.891 1.00 0.00 N ATOM 1006 CA HIS A 493 2.889 -12.905 3.604 1.00 0.00 C ATOM 1007 C HIS A 493 2.081 -13.957 2.841 1.00 0.00 C ATOM 1008 O HIS A 493 1.093 -13.638 2.182 1.00 0.00 O ATOM 1009 CB HIS A 493 4.100 -12.475 2.773 1.00 0.00 C ATOM 1010 CG HIS A 493 3.627 -11.855 1.483 1.00 0.00 C ATOM 1011 ND1 HIS A 493 3.322 -12.619 0.369 1.00 0.00 N ATOM 1012 CD2 HIS A 493 3.400 -10.549 1.117 1.00 0.00 C ATOM 1013 CE1 HIS A 493 2.934 -11.778 -0.607 1.00 0.00 C ATOM 1014 NE2 HIS A 493 2.961 -10.507 -0.203 1.00 0.00 N ATOM 0 H HIS A 493 4.333 -13.467 5.020 1.00 0.00 H new ATOM 0 HA HIS A 493 2.256 -12.036 3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 493 4.704 -11.761 3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 493 4.736 -13.335 2.564 1.00 0.00 H new ATOM 0 HD1 HIS A 493 3.381 -13.635 0.301 1.00 0.00 H new ATOM 0 HD2 HIS A 493 3.541 -9.689 1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 493 2.637 -12.093 -1.596 1.00 0.00 H new ATOM 1022 N ASP A 494 2.516 -15.216 2.931 1.00 0.00 N ATOM 1023 CA ASP A 494 1.828 -16.312 2.249 1.00 0.00 C ATOM 1024 C ASP A 494 0.462 -16.592 2.870 1.00 0.00 C ATOM 1025 O ASP A 494 -0.487 -16.938 2.166 1.00 0.00 O ATOM 1026 CB ASP A 494 2.675 -17.582 2.310 1.00 0.00 C ATOM 1027 CG ASP A 494 2.018 -18.691 1.494 1.00 0.00 C ATOM 1028 OD1 ASP A 494 0.907 -18.481 1.032 1.00 0.00 O ATOM 1029 OD2 ASP A 494 2.635 -19.732 1.337 1.00 0.00 O ATOM 0 H ASP A 494 3.337 -15.500 3.466 1.00 0.00 H new ATOM 0 HA ASP A 494 1.681 -16.010 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 494 3.675 -17.380 1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 494 2.791 -17.902 3.346 1.00 0.00 H new ATOM 1034 N ILE A 495 0.368 -16.465 4.190 1.00 0.00 N ATOM 1035 CA ILE A 495 -0.890 -16.737 4.886 1.00 0.00 C ATOM 1036 C ILE A 495 -1.981 -15.774 4.429 1.00 0.00 C ATOM 1037 O ILE A 495 -3.111 -16.184 4.160 1.00 0.00 O ATOM 1038 CB ILE A 495 -0.688 -16.599 6.401 1.00 0.00 C ATOM 1039 CG1 ILE A 495 0.227 -17.726 6.897 1.00 0.00 C ATOM 1040 CG2 ILE A 495 -2.042 -16.691 7.118 1.00 0.00 C ATOM 1041 CD1 ILE A 495 0.583 -17.502 8.372 1.00 0.00 C ATOM 0 H ILE A 495 1.137 -16.179 4.796 1.00 0.00 H new ATOM 0 HA ILE A 495 -1.200 -17.755 4.648 1.00 0.00 H new ATOM 0 HB ILE A 495 -0.232 -15.633 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -0.270 -18.689 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 495 1.136 -17.759 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -1.892 -16.592 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -2.694 -15.891 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -2.503 -17.655 6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 495 1.233 -18.307 8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 495 1.098 -16.548 8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -0.329 -17.492 8.969 1.00 0.00 H new ATOM 1147 N GLN A 501 -9.723 -12.332 2.183 1.00 0.00 N ATOM 1148 CA GLN A 501 -10.416 -11.360 1.346 1.00 0.00 C ATOM 1149 C GLN A 501 -9.566 -10.095 1.184 1.00 0.00 C ATOM 1150 O GLN A 501 -8.747 -9.772 2.045 1.00 0.00 O ATOM 1151 CB GLN A 501 -11.775 -11.012 1.993 1.00 0.00 C ATOM 1152 CG GLN A 501 -12.708 -12.232 1.994 1.00 0.00 C ATOM 1153 CD GLN A 501 -14.026 -11.879 2.677 1.00 0.00 C ATOM 1154 OE1 GLN A 501 -14.241 -10.727 3.053 1.00 0.00 O ATOM 1155 NE2 GLN A 501 -14.928 -12.803 2.857 1.00 0.00 N ATOM 0 HA GLN A 501 -10.583 -11.788 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -11.618 -10.668 3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -12.243 -10.192 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -12.895 -12.558 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -12.232 -13.064 2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -14.749 -13.758 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -15.812 -12.571 3.310 1.00 0.00 H new ATOM 1164 N ILE A 502 -9.785 -9.379 0.085 1.00 0.00 N ATOM 1165 CA ILE A 502 -9.041 -8.155 -0.180 1.00 0.00 C ATOM 1166 C ILE A 502 -9.128 -7.193 1.019 1.00 0.00 C ATOM 1167 O ILE A 502 -8.093 -6.776 1.537 1.00 0.00 O ATOM 1168 CB ILE A 502 -9.557 -7.464 -1.460 1.00 0.00 C ATOM 1169 CG1 ILE A 502 -9.715 -8.497 -2.582 1.00 0.00 C ATOM 1170 CG2 ILE A 502 -8.574 -6.375 -1.907 1.00 0.00 C ATOM 1171 CD1 ILE A 502 -8.421 -9.301 -2.758 1.00 0.00 C ATOM 0 H ILE A 502 -10.468 -9.624 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 502 -7.996 -8.424 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 502 -10.524 -7.008 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 502 -10.540 -9.171 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 502 -9.967 -7.993 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 502 -8.949 -5.895 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 502 -8.471 -5.631 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 502 -7.602 -6.824 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 502 -8.551 -10.029 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 502 -7.604 -8.625 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 502 -8.186 -9.821 -1.829 1.00 0.00 H new ATOM 1183 N PRO A 503 -10.313 -6.818 1.484 1.00 0.00 N ATOM 1184 CA PRO A 503 -10.435 -5.888 2.652 1.00 0.00 C ATOM 1185 C PRO A 503 -9.529 -6.304 3.819 1.00 0.00 C ATOM 1186 O PRO A 503 -8.837 -5.472 4.402 1.00 0.00 O ATOM 1187 CB PRO A 503 -11.932 -5.963 3.033 1.00 0.00 C ATOM 1188 CG PRO A 503 -12.464 -7.135 2.277 1.00 0.00 C ATOM 1189 CD PRO A 503 -11.654 -7.212 0.989 1.00 0.00 C ATOM 0 HA PRO A 503 -10.116 -4.875 2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 503 -12.060 -6.095 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 503 -12.455 -5.047 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 503 -12.361 -8.052 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 503 -13.525 -7.011 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 503 -11.658 -8.213 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 503 -12.029 -6.533 0.223 1.00 0.00 H new ATOM 1197 N LEU A 504 -9.538 -7.592 4.149 1.00 0.00 N ATOM 1198 CA LEU A 504 -8.702 -8.100 5.238 1.00 0.00 C ATOM 1199 C LEU A 504 -7.221 -7.959 4.889 1.00 0.00 C ATOM 1200 O LEU A 504 -6.398 -7.650 5.750 1.00 0.00 O ATOM 1201 CB LEU A 504 -9.039 -9.574 5.531 1.00 0.00 C ATOM 1202 CG LEU A 504 -10.270 -9.662 6.445 1.00 0.00 C ATOM 1203 CD1 LEU A 504 -11.440 -8.905 5.818 1.00 0.00 C ATOM 1204 CD2 LEU A 504 -10.665 -11.129 6.628 1.00 0.00 C ATOM 0 H LEU A 504 -10.108 -8.299 3.685 1.00 0.00 H new ATOM 0 HA LEU A 504 -8.907 -7.509 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 504 -9.231 -10.104 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 504 -8.188 -10.062 6.006 1.00 0.00 H new ATOM 0 HG LEU A 504 -10.028 -9.219 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 504 -12.309 -8.972 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 504 -11.166 -7.858 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 504 -11.680 -9.344 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 504 -11.539 -11.192 7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 504 -10.901 -11.566 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 504 -9.837 -11.675 7.080 1.00 0.00 H new ATOM 1216 N GLN A 505 -6.887 -8.193 3.625 1.00 0.00 N ATOM 1217 CA GLN A 505 -5.501 -8.087 3.181 1.00 0.00 C ATOM 1218 C GLN A 505 -4.941 -6.713 3.525 1.00 0.00 C ATOM 1219 O GLN A 505 -3.848 -6.597 4.082 1.00 0.00 O ATOM 1220 CB GLN A 505 -5.427 -8.304 1.668 1.00 0.00 C ATOM 1221 CG GLN A 505 -3.969 -8.477 1.235 1.00 0.00 C ATOM 1222 CD GLN A 505 -3.534 -9.932 1.386 1.00 0.00 C ATOM 1223 OE1 GLN A 505 -2.409 -10.201 1.800 1.00 0.00 O ATOM 1224 NE2 GLN A 505 -4.362 -10.892 1.070 1.00 0.00 N ATOM 0 H GLN A 505 -7.550 -8.455 2.895 1.00 0.00 H new ATOM 0 HA GLN A 505 -4.910 -8.849 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -6.005 -9.186 1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -5.871 -7.455 1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -3.852 -8.162 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -3.326 -7.835 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -5.296 -10.668 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -4.075 -11.866 1.167 1.00 0.00 H new ATOM 1233 N ALA A 506 -5.701 -5.676 3.197 1.00 0.00 N ATOM 1234 CA ALA A 506 -5.279 -4.313 3.483 1.00 0.00 C ATOM 1235 C ALA A 506 -5.266 -4.062 4.985 1.00 0.00 C ATOM 1236 O ALA A 506 -4.365 -3.405 5.505 1.00 0.00 O ATOM 1237 CB ALA A 506 -6.223 -3.316 2.805 1.00 0.00 C ATOM 0 H ALA A 506 -6.607 -5.753 2.735 1.00 0.00 H new ATOM 0 HA ALA A 506 -4.270 -4.177 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 506 -5.898 -2.299 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 506 -6.208 -3.476 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 506 -7.236 -3.462 3.179 1.00 0.00 H new ATOM 1243 N ARG A 507 -6.275 -4.582 5.676 1.00 0.00 N ATOM 1244 CA ARG A 507 -6.376 -4.391 7.116 1.00 0.00 C ATOM 1245 C ARG A 507 -5.133 -4.920 7.816 1.00 0.00 C ATOM 1246 O ARG A 507 -4.590 -4.269 8.708 1.00 0.00 O ATOM 1247 CB ARG A 507 -7.618 -5.109 7.654 1.00 0.00 C ATOM 1248 CG ARG A 507 -7.781 -4.821 9.151 1.00 0.00 C ATOM 1249 CD ARG A 507 -9.030 -5.536 9.673 1.00 0.00 C ATOM 1250 NE ARG A 507 -10.228 -4.935 9.100 1.00 0.00 N ATOM 1251 CZ ARG A 507 -11.439 -5.405 9.388 1.00 0.00 C ATOM 1252 NH1 ARG A 507 -11.573 -6.411 10.208 1.00 0.00 N ATOM 1253 NH2 ARG A 507 -12.495 -4.856 8.852 1.00 0.00 N ATOM 0 H ARG A 507 -7.028 -5.134 5.265 1.00 0.00 H new ATOM 0 HA ARG A 507 -6.461 -3.323 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 507 -8.504 -4.777 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 507 -7.528 -6.183 7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 507 -6.900 -5.160 9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 507 -7.866 -3.747 9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 507 -8.986 -6.594 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 507 -9.067 -5.473 10.761 1.00 0.00 H new ATOM 0 HE ARG A 507 -10.136 -4.140 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 507 -10.749 -6.839 10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 507 -12.502 -6.770 10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 507 -12.391 -4.068 8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 507 -13.424 -5.215 9.072 1.00 0.00 H new ATOM 1267 N GLU A 508 -4.685 -6.102 7.415 1.00 0.00 N ATOM 1268 CA GLU A 508 -3.502 -6.689 8.026 1.00 0.00 C ATOM 1269 C GLU A 508 -2.267 -5.871 7.663 1.00 0.00 C ATOM 1270 O GLU A 508 -1.424 -5.591 8.514 1.00 0.00 O ATOM 1271 CB GLU A 508 -3.329 -8.136 7.562 1.00 0.00 C ATOM 1272 CG GLU A 508 -2.210 -8.809 8.365 1.00 0.00 C ATOM 1273 CD GLU A 508 -2.653 -9.013 9.811 1.00 0.00 C ATOM 1274 OE1 GLU A 508 -3.818 -8.789 10.093 1.00 0.00 O ATOM 1275 OE2 GLU A 508 -1.819 -9.397 10.615 1.00 0.00 O ATOM 0 H GLU A 508 -5.115 -6.665 6.681 1.00 0.00 H new ATOM 0 HA GLU A 508 -3.626 -6.682 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 508 -4.262 -8.683 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 508 -3.091 -8.161 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 508 -1.956 -9.769 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 508 -1.310 -8.195 8.335 1.00 0.00 H new ATOM 1282 N LEU A 509 -2.172 -5.483 6.396 1.00 0.00 N ATOM 1283 CA LEU A 509 -1.034 -4.697 5.926 1.00 0.00 C ATOM 1284 C LEU A 509 -1.003 -3.337 6.609 1.00 0.00 C ATOM 1285 O LEU A 509 0.053 -2.867 6.995 1.00 0.00 O ATOM 1286 CB LEU A 509 -1.122 -4.512 4.402 1.00 0.00 C ATOM 1287 CG LEU A 509 0.123 -3.784 3.871 1.00 0.00 C ATOM 1288 CD1 LEU A 509 1.384 -4.595 4.190 1.00 0.00 C ATOM 1289 CD2 LEU A 509 -0.002 -3.615 2.355 1.00 0.00 C ATOM 0 H LEU A 509 -2.864 -5.698 5.678 1.00 0.00 H new ATOM 0 HA LEU A 509 -0.117 -5.232 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -1.216 -5.484 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -2.017 -3.943 4.151 1.00 0.00 H new ATOM 0 HG LEU A 509 0.199 -2.807 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 509 2.260 -4.070 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 509 1.475 -4.717 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 509 1.315 -5.575 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 509 0.879 -3.099 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -0.081 -4.595 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -0.893 -3.030 2.126 1.00 0.00 H new ATOM 1301 N ILE A 510 -2.158 -2.707 6.748 1.00 0.00 N ATOM 1302 CA ILE A 510 -2.223 -1.397 7.393 1.00 0.00 C ATOM 1303 C ILE A 510 -1.736 -1.488 8.834 1.00 0.00 C ATOM 1304 O ILE A 510 -1.015 -0.613 9.312 1.00 0.00 O ATOM 1305 CB ILE A 510 -3.659 -0.867 7.349 1.00 0.00 C ATOM 1306 CG1 ILE A 510 -4.007 -0.475 5.910 1.00 0.00 C ATOM 1307 CG2 ILE A 510 -3.782 0.364 8.249 1.00 0.00 C ATOM 1308 CD1 ILE A 510 -5.520 -0.294 5.785 1.00 0.00 C ATOM 0 H ILE A 510 -3.055 -3.072 6.429 1.00 0.00 H new ATOM 0 HA ILE A 510 -1.574 -0.707 6.855 1.00 0.00 H new ATOM 0 HB ILE A 510 -4.342 -1.641 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 510 -3.496 0.449 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 510 -3.663 -1.244 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 510 -4.805 0.739 8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 510 -3.529 0.092 9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 510 -3.100 1.139 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 510 -5.770 -0.015 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 510 -6.020 -1.229 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 510 -5.850 0.491 6.466 1.00 0.00 H new ATOM 1320 N ASP A 511 -2.135 -2.549 9.521 1.00 0.00 N ATOM 1321 CA ASP A 511 -1.736 -2.736 10.911 1.00 0.00 C ATOM 1322 C ASP A 511 -0.212 -2.793 11.033 1.00 0.00 C ATOM 1323 O ASP A 511 0.356 -2.291 12.002 1.00 0.00 O ATOM 1324 CB ASP A 511 -2.338 -4.036 11.448 1.00 0.00 C ATOM 1325 CG ASP A 511 -1.936 -4.235 12.905 1.00 0.00 C ATOM 1326 OD1 ASP A 511 -1.157 -3.434 13.398 1.00 0.00 O ATOM 1327 OD2 ASP A 511 -2.410 -5.183 13.507 1.00 0.00 O ATOM 0 H ASP A 511 -2.729 -3.288 9.144 1.00 0.00 H new ATOM 0 HA ASP A 511 -2.103 -1.891 11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 511 -3.424 -4.006 11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 511 -1.995 -4.880 10.849 1.00 0.00 H new ATOM 1332 N THR A 512 0.443 -3.404 10.050 1.00 0.00 N ATOM 1333 CA THR A 512 1.900 -3.513 10.071 1.00 0.00 C ATOM 1334 C THR A 512 2.540 -2.126 9.973 1.00 0.00 C ATOM 1335 O THR A 512 3.598 -1.880 10.552 1.00 0.00 O ATOM 1336 CB THR A 512 2.380 -4.391 8.906 1.00 0.00 C ATOM 1337 OG1 THR A 512 1.982 -3.812 7.677 1.00 0.00 O ATOM 1338 CG2 THR A 512 1.779 -5.796 9.025 1.00 0.00 C ATOM 0 H THR A 512 -0.005 -3.827 9.237 1.00 0.00 H new ATOM 0 HA THR A 512 2.200 -3.973 11.013 1.00 0.00 H new ATOM 0 HB THR A 512 3.467 -4.462 8.941 1.00 0.00 H new ATOM 0 HG1 THR A 512 1.145 -3.319 7.804 1.00 0.00 H new ATOM 0 HG21 THR A 512 2.125 -6.411 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 512 2.093 -6.247 9.966 1.00 0.00 H new ATOM 0 HG23 THR A 512 0.691 -5.730 8.999 1.00 0.00 H new ATOM 1346 N ILE A 513 1.885 -1.227 9.244 1.00 0.00 N ATOM 1347 CA ILE A 513 2.391 0.137 9.090 1.00 0.00 C ATOM 1348 C ILE A 513 2.365 0.866 10.427 1.00 0.00 C ATOM 1349 O ILE A 513 3.298 1.592 10.766 1.00 0.00 O ATOM 1350 CB ILE A 513 1.543 0.913 8.075 1.00 0.00 C ATOM 1351 CG1 ILE A 513 1.447 0.137 6.760 1.00 0.00 C ATOM 1352 CG2 ILE A 513 2.175 2.278 7.811 1.00 0.00 C ATOM 1353 CD1 ILE A 513 2.839 -0.224 6.236 1.00 0.00 C ATOM 0 H ILE A 513 1.010 -1.414 8.754 1.00 0.00 H new ATOM 0 HA ILE A 513 3.418 0.078 8.730 1.00 0.00 H new ATOM 0 HB ILE A 513 0.542 1.045 8.485 1.00 0.00 H new ATOM 0 HG12 ILE A 513 0.864 -0.772 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 513 0.918 0.735 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 513 1.569 2.826 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 513 2.227 2.841 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 513 3.180 2.142 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 513 2.744 -0.775 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 513 3.411 0.688 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 513 3.355 -0.842 6.970 1.00 0.00 H new ATOM 1365 N LEU A 514 1.286 0.681 11.180 1.00 0.00 N ATOM 1366 CA LEU A 514 1.151 1.346 12.471 1.00 0.00 C ATOM 1367 C LEU A 514 2.312 0.968 13.389 1.00 0.00 C ATOM 1368 O LEU A 514 2.871 1.823 14.076 1.00 0.00 O ATOM 1369 CB LEU A 514 -0.173 0.940 13.133 1.00 0.00 C ATOM 1370 CG LEU A 514 -0.322 1.622 14.505 1.00 0.00 C ATOM 1371 CD1 LEU A 514 -0.269 3.154 14.349 1.00 0.00 C ATOM 1372 CD2 LEU A 514 -1.663 1.212 15.124 1.00 0.00 C ATOM 0 H LEU A 514 0.500 0.083 10.923 1.00 0.00 H new ATOM 0 HA LEU A 514 1.162 2.424 12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -1.008 1.218 12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -0.209 -0.143 13.253 1.00 0.00 H new ATOM 0 HG LEU A 514 0.497 1.310 15.153 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -0.376 3.623 15.327 1.00 0.00 H new ATOM 0 HD12 LEU A 514 0.686 3.442 13.910 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -1.080 3.482 13.699 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -1.776 1.691 16.097 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -2.477 1.524 14.469 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -1.691 0.129 15.247 1.00 0.00 H new ATOM 1384 N VAL A 515 2.665 -0.312 13.405 1.00 0.00 N ATOM 1385 CA VAL A 515 3.760 -0.775 14.253 1.00 0.00 C ATOM 1386 C VAL A 515 5.079 -0.127 13.837 1.00 0.00 C ATOM 1387 O VAL A 515 5.843 0.345 14.680 1.00 0.00 O ATOM 1388 CB VAL A 515 3.881 -2.299 14.149 1.00 0.00 C ATOM 1389 CG1 VAL A 515 5.116 -2.780 14.913 1.00 0.00 C ATOM 1390 CG2 VAL A 515 2.629 -2.950 14.743 1.00 0.00 C ATOM 0 H VAL A 515 2.217 -1.040 12.849 1.00 0.00 H new ATOM 0 HA VAL A 515 3.544 -0.492 15.283 1.00 0.00 H new ATOM 0 HB VAL A 515 3.979 -2.579 13.100 1.00 0.00 H new ATOM 0 HG11 VAL A 515 5.194 -3.864 14.833 1.00 0.00 H new ATOM 0 HG12 VAL A 515 6.008 -2.320 14.488 1.00 0.00 H new ATOM 0 HG13 VAL A 515 5.027 -2.499 15.962 1.00 0.00 H new ATOM 0 HG21 VAL A 515 2.713 -4.034 14.670 1.00 0.00 H new ATOM 0 HG22 VAL A 515 2.532 -2.663 15.790 1.00 0.00 H new ATOM 0 HG23 VAL A 515 1.749 -2.616 14.192 1.00 0.00 H new ATOM 1400 N LYS A 516 5.342 -0.108 12.535 1.00 0.00 N ATOM 1401 CA LYS A 516 6.570 0.491 12.017 1.00 0.00 C ATOM 1402 C LYS A 516 6.597 1.999 12.263 1.00 0.00 C ATOM 1403 O LYS A 516 7.597 2.542 12.731 1.00 0.00 O ATOM 1404 CB LYS A 516 6.692 0.209 10.521 1.00 0.00 C ATOM 1405 CG LYS A 516 6.858 -1.298 10.299 1.00 0.00 C ATOM 1406 CD LYS A 516 6.972 -1.582 8.798 1.00 0.00 C ATOM 1407 CE LYS A 516 7.174 -3.079 8.571 1.00 0.00 C ATOM 1408 NZ LYS A 516 5.987 -3.825 9.079 1.00 0.00 N ATOM 0 H LYS A 516 4.726 -0.498 11.821 1.00 0.00 H new ATOM 0 HA LYS A 516 7.414 0.046 12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 516 5.806 0.569 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 516 7.546 0.745 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 516 7.747 -1.657 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 516 6.007 -1.834 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 516 6.071 -1.245 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 516 7.808 -1.024 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 516 7.316 -3.280 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 516 8.075 -3.417 9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 5.786 -4.628 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.183 -4.177 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 5.163 -3.191 9.105 1.00 0.00 H new ATOM 1422 N GLY A 517 5.494 2.668 11.941 1.00 0.00 N ATOM 1423 CA GLY A 517 5.395 4.111 12.145 1.00 0.00 C ATOM 1424 C GLY A 517 6.034 4.876 10.988 1.00 0.00 C ATOM 1425 O GLY A 517 5.997 4.429 9.844 1.00 0.00 O ATOM 0 H GLY A 517 4.660 2.238 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 517 4.347 4.397 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 517 5.885 4.384 13.080 1.00 0.00 H new ATOM 1429 N ASN A 518 6.614 6.036 11.296 1.00 0.00 N ATOM 1430 CA ASN A 518 7.239 6.861 10.271 1.00 0.00 C ATOM 1431 C ASN A 518 8.251 6.057 9.465 1.00 0.00 C ATOM 1432 O ASN A 518 8.428 6.288 8.269 1.00 0.00 O ATOM 1433 CB ASN A 518 7.941 8.047 10.926 1.00 0.00 C ATOM 1434 CG ASN A 518 6.905 9.030 11.443 1.00 0.00 C ATOM 1435 OD1 ASN A 518 6.369 9.828 10.675 1.00 0.00 O ATOM 1436 ND2 ASN A 518 6.587 9.021 12.712 1.00 0.00 N ATOM 0 H ASN A 518 6.662 6.420 12.240 1.00 0.00 H new ATOM 0 HA ASN A 518 6.461 7.216 9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 518 8.571 7.702 11.746 1.00 0.00 H new ATOM 0 HB3 ASN A 518 8.596 8.538 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 518 5.892 9.677 13.068 1.00 0.00 H new ATOM 0 HD22 ASN A 518 7.034 8.358 13.345 1.00 0.00 H new ATOM 1443 N ALA A 519 8.915 5.117 10.120 1.00 0.00 N ATOM 1444 CA ALA A 519 9.904 4.296 9.439 1.00 0.00 C ATOM 1445 C ALA A 519 9.284 3.638 8.214 1.00 0.00 C ATOM 1446 O ALA A 519 9.984 3.306 7.257 1.00 0.00 O ATOM 1447 CB ALA A 519 10.439 3.224 10.391 1.00 0.00 C ATOM 0 H ALA A 519 8.790 4.905 11.110 1.00 0.00 H new ATOM 0 HA ALA A 519 10.729 4.932 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 519 11.179 2.614 9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 519 10.903 3.702 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 519 9.617 2.591 10.725 1.00 0.00 H new ATOM 1453 N ALA A 520 7.964 3.454 8.244 1.00 0.00 N ATOM 1454 CA ALA A 520 7.254 2.835 7.121 1.00 0.00 C ATOM 1455 C ALA A 520 6.568 3.893 6.265 1.00 0.00 C ATOM 1456 O ALA A 520 6.126 3.606 5.152 1.00 0.00 O ATOM 1457 CB ALA A 520 6.210 1.852 7.643 1.00 0.00 C ATOM 0 H ALA A 520 7.367 3.722 9.027 1.00 0.00 H new ATOM 0 HA ALA A 520 7.983 2.305 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.687 1.396 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 520 6.702 1.075 8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.494 2.381 8.272 1.00 0.00 H new ATOM 1463 N ALA A 521 6.478 5.109 6.783 1.00 0.00 N ATOM 1464 CA ALA A 521 5.829 6.181 6.041 1.00 0.00 C ATOM 1465 C ALA A 521 6.530 6.398 4.705 1.00 0.00 C ATOM 1466 O ALA A 521 5.885 6.637 3.690 1.00 0.00 O ATOM 1467 CB ALA A 521 5.857 7.476 6.855 1.00 0.00 C ATOM 0 H ALA A 521 6.839 5.376 7.699 1.00 0.00 H new ATOM 0 HA ALA A 521 4.793 5.898 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 521 5.369 8.271 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 521 5.331 7.325 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.891 7.756 7.057 1.00 0.00 H new ATOM 1473 N ASN A 522 7.854 6.305 4.708 1.00 0.00 N ATOM 1474 CA ASN A 522 8.619 6.488 3.483 1.00 0.00 C ATOM 1475 C ASN A 522 8.247 5.429 2.450 1.00 0.00 C ATOM 1476 O ASN A 522 7.978 5.747 1.293 1.00 0.00 O ATOM 1477 CB ASN A 522 10.114 6.395 3.797 1.00 0.00 C ATOM 1478 CG ASN A 522 10.397 5.114 4.581 1.00 0.00 C ATOM 1479 OD1 ASN A 522 9.468 4.410 4.972 1.00 0.00 O ATOM 1480 ND2 ASN A 522 11.628 4.774 4.843 1.00 0.00 N ATOM 0 H ASN A 522 8.415 6.106 5.536 1.00 0.00 H new ATOM 0 HA ASN A 522 8.388 7.470 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 522 10.691 6.402 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 522 10.429 7.264 4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 522 11.821 3.924 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 522 12.399 5.358 4.518 1.00 0.00 H new ATOM 1487 N ILE A 523 8.221 4.174 2.876 1.00 0.00 N ATOM 1488 CA ILE A 523 7.859 3.087 1.978 1.00 0.00 C ATOM 1489 C ILE A 523 6.405 3.242 1.546 1.00 0.00 C ATOM 1490 O ILE A 523 6.072 3.074 0.373 1.00 0.00 O ATOM 1491 CB ILE A 523 8.055 1.741 2.678 1.00 0.00 C ATOM 1492 CG1 ILE A 523 9.548 1.519 2.933 1.00 0.00 C ATOM 1493 CG2 ILE A 523 7.522 0.612 1.789 1.00 0.00 C ATOM 1494 CD1 ILE A 523 9.730 0.353 3.904 1.00 0.00 C ATOM 0 H ILE A 523 8.444 3.885 3.828 1.00 0.00 H new ATOM 0 HA ILE A 523 8.501 3.122 1.098 1.00 0.00 H new ATOM 0 HB ILE A 523 7.513 1.743 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 523 10.061 1.308 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 523 9.996 2.423 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 523 7.664 -0.345 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 523 6.460 0.769 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 523 8.063 0.608 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 523 10.793 0.194 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 523 9.231 0.582 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 523 9.297 -0.550 3.474 1.00 0.00 H new ATOM 1506 N PHE A 524 5.547 3.556 2.510 1.00 0.00 N ATOM 1507 CA PHE A 524 4.128 3.728 2.226 1.00 0.00 C ATOM 1508 C PHE A 524 3.935 4.868 1.226 1.00 0.00 C ATOM 1509 O PHE A 524 3.212 4.728 0.239 1.00 0.00 O ATOM 1510 CB PHE A 524 3.371 4.025 3.533 1.00 0.00 C ATOM 1511 CG PHE A 524 1.926 3.594 3.396 1.00 0.00 C ATOM 1512 CD1 PHE A 524 1.629 2.234 3.273 1.00 0.00 C ATOM 1513 CD2 PHE A 524 0.898 4.541 3.387 1.00 0.00 C ATOM 1514 CE1 PHE A 524 0.301 1.815 3.148 1.00 0.00 C ATOM 1515 CE2 PHE A 524 -0.433 4.123 3.261 1.00 0.00 C ATOM 1516 CZ PHE A 524 -0.730 2.758 3.140 1.00 0.00 C ATOM 0 H PHE A 524 5.806 3.696 3.487 1.00 0.00 H new ATOM 0 HA PHE A 524 3.731 2.811 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 524 3.840 3.498 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 524 3.423 5.090 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 524 2.426 1.506 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 524 1.129 5.592 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 524 0.072 0.763 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 524 -1.230 4.852 3.257 1.00 0.00 H new ATOM 0 HZ PHE A 524 -1.756 2.435 3.041 1.00 0.00 H new ATOM 1526 N LYS A 525 4.603 5.993 1.482 1.00 0.00 N ATOM 1527 CA LYS A 525 4.517 7.149 0.596 1.00 0.00 C ATOM 1528 C LYS A 525 5.093 6.808 -0.769 1.00 0.00 C ATOM 1529 O LYS A 525 4.536 7.179 -1.797 1.00 0.00 O ATOM 1530 CB LYS A 525 5.291 8.325 1.195 1.00 0.00 C ATOM 1531 CG LYS A 525 4.529 8.881 2.397 1.00 0.00 C ATOM 1532 CD LYS A 525 5.453 9.792 3.207 1.00 0.00 C ATOM 1533 CE LYS A 525 5.797 11.031 2.380 1.00 0.00 C ATOM 1534 NZ LYS A 525 6.374 12.080 3.267 1.00 0.00 N ATOM 0 H LYS A 525 5.207 6.126 2.293 1.00 0.00 H new ATOM 0 HA LYS A 525 3.468 7.425 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 525 6.286 8.001 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 525 5.426 9.104 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 525 3.654 9.438 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 525 4.167 8.064 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 525 4.968 10.086 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 525 6.364 9.257 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 525 6.509 10.771 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 525 4.903 11.410 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 525 6.607 12.922 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 525 5.681 12.335 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 525 7.237 11.716 3.719 1.00 0.00 H new ATOM 1548 N ASN A 526 6.208 6.090 -0.774 1.00 0.00 N ATOM 1549 CA ASN A 526 6.842 5.718 -2.027 1.00 0.00 C ATOM 1550 C ASN A 526 5.865 4.934 -2.899 1.00 0.00 C ATOM 1551 O ASN A 526 5.786 5.152 -4.109 1.00 0.00 O ATOM 1552 CB ASN A 526 8.085 4.874 -1.741 1.00 0.00 C ATOM 1553 CG ASN A 526 9.157 5.738 -1.086 1.00 0.00 C ATOM 1554 OD1 ASN A 526 9.334 6.897 -1.460 1.00 0.00 O ATOM 1555 ND2 ASN A 526 9.886 5.244 -0.121 1.00 0.00 N ATOM 0 H ASN A 526 6.685 5.758 0.064 1.00 0.00 H new ATOM 0 HA ASN A 526 7.137 6.622 -2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 526 7.827 4.041 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 526 8.466 4.446 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 526 10.602 5.819 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 526 9.739 4.283 0.189 1.00 0.00 H new ATOM 1562 N CYS A 527 5.116 4.033 -2.279 1.00 0.00 N ATOM 1563 CA CYS A 527 4.140 3.230 -3.005 1.00 0.00 C ATOM 1564 C CYS A 527 2.972 4.092 -3.488 1.00 0.00 C ATOM 1565 O CYS A 527 2.520 3.958 -4.625 1.00 0.00 O ATOM 1566 CB CYS A 527 3.611 2.122 -2.099 1.00 0.00 C ATOM 1567 SG CYS A 527 4.955 0.986 -1.690 1.00 0.00 S ATOM 0 H CYS A 527 5.164 3.839 -1.279 1.00 0.00 H new ATOM 0 HA CYS A 527 4.633 2.795 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 527 3.193 2.551 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 527 2.805 1.584 -2.597 1.00 0.00 H new ATOM 0 HG CYS A 527 5.719 1.525 -0.787 1.00 0.00 H new ATOM 1573 N LEU A 528 2.481 4.966 -2.613 1.00 0.00 N ATOM 1574 CA LEU A 528 1.354 5.832 -2.956 1.00 0.00 C ATOM 1575 C LEU A 528 1.723 6.788 -4.086 1.00 0.00 C ATOM 1576 O LEU A 528 0.931 7.018 -4.999 1.00 0.00 O ATOM 1577 CB LEU A 528 0.916 6.640 -1.733 1.00 0.00 C ATOM 1578 CG LEU A 528 0.304 5.712 -0.676 1.00 0.00 C ATOM 1579 CD1 LEU A 528 0.102 6.500 0.622 1.00 0.00 C ATOM 1580 CD2 LEU A 528 -1.050 5.149 -1.162 1.00 0.00 C ATOM 0 H LEU A 528 2.842 5.094 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 528 0.533 5.196 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 528 1.771 7.169 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 528 0.188 7.396 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 528 0.980 4.875 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -0.333 5.848 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 528 1.063 6.874 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -0.568 7.339 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -1.467 4.493 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -1.740 5.972 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -0.900 4.584 -2.082 1.00 0.00 H new ATOM 1592 N LYS A 529 2.926 7.346 -4.019 1.00 0.00 N ATOM 1593 CA LYS A 529 3.376 8.276 -5.042 1.00 0.00 C ATOM 1594 C LYS A 529 3.458 7.575 -6.390 1.00 0.00 C ATOM 1595 O LYS A 529 3.041 8.122 -7.410 1.00 0.00 O ATOM 1596 CB LYS A 529 4.750 8.842 -4.667 1.00 0.00 C ATOM 1597 CG LYS A 529 4.601 9.814 -3.490 1.00 0.00 C ATOM 1598 CD LYS A 529 5.953 10.449 -3.138 1.00 0.00 C ATOM 1599 CE LYS A 529 6.910 9.399 -2.575 1.00 0.00 C ATOM 1600 NZ LYS A 529 8.038 10.083 -1.880 1.00 0.00 N ATOM 0 H LYS A 529 3.600 7.172 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 529 2.659 9.094 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 529 5.428 8.032 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 529 5.189 9.355 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 529 3.882 10.593 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 529 4.205 9.285 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 529 6.388 10.907 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 529 5.808 11.245 -2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 529 6.383 8.745 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 529 7.291 8.769 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 529 8.692 9.371 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 529 8.545 10.690 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 529 7.665 10.666 -1.104 1.00 0.00 H new ATOM 1614 N GLU A 530 3.992 6.360 -6.391 1.00 0.00 N ATOM 1615 CA GLU A 530 4.116 5.596 -7.626 1.00 0.00 C ATOM 1616 C GLU A 530 2.766 5.034 -8.060 1.00 0.00 C ATOM 1617 O GLU A 530 2.376 5.157 -9.223 1.00 0.00 O ATOM 1618 CB GLU A 530 5.109 4.449 -7.433 1.00 0.00 C ATOM 1619 CG GLU A 530 6.501 5.018 -7.153 1.00 0.00 C ATOM 1620 CD GLU A 530 7.021 5.749 -8.387 1.00 0.00 C ATOM 1621 OE1 GLU A 530 6.500 5.501 -9.462 1.00 0.00 O ATOM 1622 OE2 GLU A 530 7.934 6.545 -8.237 1.00 0.00 O ATOM 0 H GLU A 530 4.343 5.886 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 530 4.478 6.267 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 530 4.791 3.815 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 530 5.134 3.822 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 530 6.460 5.702 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 530 7.184 4.213 -6.881 1.00 0.00 H new ATOM 1629 N ILE A 531 2.057 4.411 -7.124 1.00 0.00 N ATOM 1630 CA ILE A 531 0.754 3.830 -7.426 1.00 0.00 C ATOM 1631 C ILE A 531 -0.252 4.923 -7.777 1.00 0.00 C ATOM 1632 O ILE A 531 -1.020 4.789 -8.729 1.00 0.00 O ATOM 1633 CB ILE A 531 0.245 3.031 -6.220 1.00 0.00 C ATOM 1634 CG1 ILE A 531 1.137 1.804 -6.013 1.00 0.00 C ATOM 1635 CG2 ILE A 531 -1.193 2.572 -6.474 1.00 0.00 C ATOM 1636 CD1 ILE A 531 0.842 1.179 -4.651 1.00 0.00 C ATOM 0 H ILE A 531 2.360 4.296 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 531 0.863 3.164 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 531 0.272 3.662 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 531 0.960 1.076 -6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 531 2.187 2.091 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 531 -1.551 2.005 -5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 531 -1.831 3.442 -6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 531 -1.222 1.942 -7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 531 1.478 0.306 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 531 1.041 1.908 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 531 -0.204 0.877 -4.608 1.00 0.00 H new ATOM 1648 N ASP A 532 -0.246 6.001 -6.996 1.00 0.00 N ATOM 1649 CA ASP A 532 -1.169 7.116 -7.221 1.00 0.00 C ATOM 1650 C ASP A 532 -0.483 8.453 -6.950 1.00 0.00 C ATOM 1651 O ASP A 532 -0.649 9.042 -5.881 1.00 0.00 O ATOM 1652 CB ASP A 532 -2.380 6.970 -6.297 1.00 0.00 C ATOM 1653 CG ASP A 532 -3.250 5.806 -6.760 1.00 0.00 C ATOM 1654 OD1 ASP A 532 -3.112 5.404 -7.902 1.00 0.00 O ATOM 1655 OD2 ASP A 532 -4.039 5.328 -5.960 1.00 0.00 O ATOM 0 H ASP A 532 0.384 6.128 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 532 -1.490 7.095 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 532 -2.048 6.802 -5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 532 -2.961 7.892 -6.297 1.00 0.00 H new ATOM 1660 N SER A 533 0.284 8.927 -7.926 1.00 0.00 N ATOM 1661 CA SER A 533 0.986 10.201 -7.789 1.00 0.00 C ATOM 1662 C SER A 533 -0.005 11.333 -7.533 1.00 0.00 C ATOM 1663 O SER A 533 0.306 12.302 -6.842 1.00 0.00 O ATOM 1664 CB SER A 533 1.782 10.495 -9.057 1.00 0.00 C ATOM 1665 OG SER A 533 0.884 10.688 -10.145 1.00 0.00 O ATOM 0 H SER A 533 0.436 8.453 -8.816 1.00 0.00 H new ATOM 0 HA SER A 533 1.667 10.131 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 533 2.396 11.384 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 533 2.461 9.670 -9.273 1.00 0.00 H new ATOM 0 HG SER A 533 1.394 10.879 -10.960 1.00 0.00 H new ATOM 1671 N THR A 534 -1.200 11.204 -8.105 1.00 0.00 N ATOM 1672 CA THR A 534 -2.237 12.218 -7.940 1.00 0.00 C ATOM 1673 C THR A 534 -2.652 12.341 -6.476 1.00 0.00 C ATOM 1674 O THR A 534 -2.827 13.446 -5.964 1.00 0.00 O ATOM 1675 CB THR A 534 -3.458 11.863 -8.793 1.00 0.00 C ATOM 1676 OG1 THR A 534 -3.039 11.561 -10.118 1.00 0.00 O ATOM 1677 CG2 THR A 534 -4.431 13.044 -8.820 1.00 0.00 C ATOM 0 H THR A 534 -1.473 10.410 -8.685 1.00 0.00 H new ATOM 0 HA THR A 534 -1.831 13.175 -8.267 1.00 0.00 H new ATOM 0 HB THR A 534 -3.958 10.995 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 534 -3.820 11.332 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 534 -5.298 12.787 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 534 -4.755 13.272 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 534 -3.934 13.915 -9.247 1.00 0.00 H new ATOM 1685 N LEU A 535 -2.810 11.202 -5.809 1.00 0.00 N ATOM 1686 CA LEU A 535 -3.210 11.203 -4.403 1.00 0.00 C ATOM 1687 C LEU A 535 -2.184 11.944 -3.560 1.00 0.00 C ATOM 1688 O LEU A 535 -2.541 12.710 -2.670 1.00 0.00 O ATOM 1689 CB LEU A 535 -3.339 9.758 -3.902 1.00 0.00 C ATOM 1690 CG LEU A 535 -3.712 9.731 -2.410 1.00 0.00 C ATOM 1691 CD1 LEU A 535 -5.019 10.503 -2.174 1.00 0.00 C ATOM 1692 CD2 LEU A 535 -3.885 8.275 -1.968 1.00 0.00 C ATOM 0 H LEU A 535 -2.670 10.276 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 535 -4.171 11.709 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.099 9.233 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -2.399 9.229 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 535 -2.920 10.204 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -5.271 10.476 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -4.892 11.538 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -5.822 10.043 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -4.150 8.245 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -4.677 7.809 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -2.952 7.734 -2.124 1.00 0.00 H new ATOM 1704 N TYR A 536 -0.911 11.714 -3.845 1.00 0.00 N ATOM 1705 CA TYR A 536 0.147 12.380 -3.103 1.00 0.00 C ATOM 1706 C TYR A 536 0.024 13.892 -3.265 1.00 0.00 C ATOM 1707 O TYR A 536 0.183 14.645 -2.305 1.00 0.00 O ATOM 1708 CB TYR A 536 1.510 11.910 -3.605 1.00 0.00 C ATOM 1709 CG TYR A 536 2.599 12.666 -2.885 1.00 0.00 C ATOM 1710 CD1 TYR A 536 2.970 12.289 -1.590 1.00 0.00 C ATOM 1711 CD2 TYR A 536 3.236 13.744 -3.510 1.00 0.00 C ATOM 1712 CE1 TYR A 536 3.979 12.990 -0.919 1.00 0.00 C ATOM 1713 CE2 TYR A 536 4.246 14.445 -2.841 1.00 0.00 C ATOM 1714 CZ TYR A 536 4.617 14.066 -1.544 1.00 0.00 C ATOM 1715 OH TYR A 536 5.613 14.757 -0.882 1.00 0.00 O ATOM 0 H TYR A 536 -0.589 11.079 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 536 0.053 12.128 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 536 1.623 10.839 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 536 1.589 12.072 -4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 536 2.478 11.457 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 536 2.948 14.035 -4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 536 4.265 12.700 0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 536 4.738 15.276 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 536 5.952 15.474 -1.458 1.00 0.00 H new ATOM 1725 N LYS A 537 -0.261 14.325 -4.490 1.00 0.00 N ATOM 1726 CA LYS A 537 -0.413 15.748 -4.775 1.00 0.00 C ATOM 1727 C LYS A 537 -1.670 16.301 -4.106 1.00 0.00 C ATOM 1728 O LYS A 537 -1.933 17.501 -4.152 1.00 0.00 O ATOM 1729 CB LYS A 537 -0.488 15.975 -6.290 1.00 0.00 C ATOM 1730 CG LYS A 537 -0.166 17.440 -6.616 1.00 0.00 C ATOM 1731 CD LYS A 537 -0.123 17.640 -8.138 1.00 0.00 C ATOM 1732 CE LYS A 537 0.071 19.121 -8.474 1.00 0.00 C ATOM 1733 NZ LYS A 537 1.385 19.579 -7.939 1.00 0.00 N ATOM 0 H LYS A 537 -0.391 13.715 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 537 0.454 16.273 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 537 0.215 15.317 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 537 -1.483 15.722 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 537 -0.919 18.094 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 537 0.792 17.717 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 537 0.690 17.053 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 537 -1.048 17.277 -8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 537 0.033 19.269 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 537 -0.737 19.713 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 537 1.630 20.498 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 537 1.324 19.676 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 537 2.119 18.882 -8.179 1.00 0.00 H new ATOM 1747 N ASN A 538 -2.453 15.418 -3.489 1.00 0.00 N ATOM 1748 CA ASN A 538 -3.686 15.830 -2.812 1.00 0.00 C ATOM 1749 C ASN A 538 -3.597 15.535 -1.319 1.00 0.00 C ATOM 1750 O ASN A 538 -4.464 15.939 -0.545 1.00 0.00 O ATOM 1751 CB ASN A 538 -4.880 15.086 -3.411 1.00 0.00 C ATOM 1752 CG ASN A 538 -5.018 15.444 -4.886 1.00 0.00 C ATOM 1753 OD1 ASN A 538 -5.068 16.622 -5.238 1.00 0.00 O ATOM 1754 ND2 ASN A 538 -5.074 14.492 -5.776 1.00 0.00 N ATOM 0 H ASN A 538 -2.259 14.418 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 538 -3.819 16.903 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 538 -4.745 14.010 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 538 -5.792 15.350 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 538 -5.159 14.723 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 538 -5.032 13.516 -5.482 1.00 0.00 H new ATOM 1761 N LEU A 539 -2.543 14.821 -0.921 1.00 0.00 N ATOM 1762 CA LEU A 539 -2.353 14.463 0.487 1.00 0.00 C ATOM 1763 C LEU A 539 -1.537 15.528 1.228 1.00 0.00 C ATOM 1764 O LEU A 539 -2.088 16.328 1.982 1.00 0.00 O ATOM 1765 CB LEU A 539 -1.634 13.102 0.579 1.00 0.00 C ATOM 1766 CG LEU A 539 -1.341 12.744 2.049 1.00 0.00 C ATOM 1767 CD1 LEU A 539 -2.638 12.792 2.865 1.00 0.00 C ATOM 1768 CD2 LEU A 539 -0.705 11.334 2.140 1.00 0.00 C ATOM 0 H LEU A 539 -1.813 14.481 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 539 -3.334 14.399 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 539 -2.252 12.327 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 539 -0.702 13.138 0.015 1.00 0.00 H new ATOM 0 HG LEU A 539 -0.638 13.470 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 539 -2.424 12.538 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 539 -3.061 13.795 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 539 -3.352 12.077 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 539 -0.503 11.093 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 539 -1.392 10.597 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 539 0.228 11.319 1.577 1.00 0.00 H new ATOM 1780 N PHE A 540 -0.218 15.515 1.022 1.00 0.00 N ATOM 1781 CA PHE A 540 0.676 16.459 1.704 1.00 0.00 C ATOM 1782 C PHE A 540 0.489 17.878 1.181 1.00 0.00 C ATOM 1783 O PHE A 540 0.603 18.844 1.932 1.00 0.00 O ATOM 1784 CB PHE A 540 2.131 16.033 1.492 1.00 0.00 C ATOM 1785 CG PHE A 540 2.383 14.727 2.209 1.00 0.00 C ATOM 1786 CD1 PHE A 540 2.817 14.733 3.540 1.00 0.00 C ATOM 1787 CD2 PHE A 540 2.180 13.513 1.543 1.00 0.00 C ATOM 1788 CE1 PHE A 540 3.049 13.522 4.206 1.00 0.00 C ATOM 1789 CE2 PHE A 540 2.413 12.304 2.207 1.00 0.00 C ATOM 1790 CZ PHE A 540 2.847 12.308 3.540 1.00 0.00 C ATOM 0 H PHE A 540 0.254 14.866 0.393 1.00 0.00 H new ATOM 0 HA PHE A 540 0.430 16.448 2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.337 15.921 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 540 2.805 16.803 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 540 2.973 15.670 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 540 1.844 13.510 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 540 3.384 13.526 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 540 2.258 11.367 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 540 3.025 11.374 4.053 1.00 0.00 H new ATOM 1800 N VAL A 541 0.212 17.998 -0.113 1.00 0.00 N ATOM 1801 CA VAL A 541 0.049 19.308 -0.728 1.00 0.00 C ATOM 1802 C VAL A 541 -1.305 19.915 -0.360 1.00 0.00 C ATOM 1803 O VAL A 541 -1.382 20.832 0.458 1.00 0.00 O ATOM 1804 CB VAL A 541 0.164 19.183 -2.250 1.00 0.00 C ATOM 1805 CG1 VAL A 541 -0.199 20.513 -2.912 1.00 0.00 C ATOM 1806 CG2 VAL A 541 1.598 18.803 -2.625 1.00 0.00 C ATOM 0 H VAL A 541 0.097 17.210 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 541 0.835 19.965 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 541 -0.522 18.411 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 541 -0.115 20.416 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 541 -1.222 20.782 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 541 0.481 21.290 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 541 1.679 18.714 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 541 2.283 19.574 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 541 1.855 17.850 -2.162 1.00 0.00 H new