USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 627 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 570 HIS : no HD1:sc= -2.14! K(o=-10!,f=-11) USER MOD Set 1.2: A 574 GLN : amide:sc= -8.15! C(o=-10!,f=-11!) USER MOD Set 2.1: A 554 CYS SG : rot -80:sc= -1.96! USER MOD Set 2.2: A 555 CYS SG : rot 26:sc= -2.67! USER MOD Single : A 504 THR OG1 : rot 36:sc= 0.283 USER MOD Single : A 505 GLN : amide:sc= 0.644 K(o=0.64,f=-0.34) USER MOD Single : A 506 GLN : amide:sc= -2.41 K(o=-2.4,f=-1.7) USER MOD Single : A 508 THR OG1 : rot 180:sc= 0 USER MOD Single : A 511 GLN : amide:sc= -0.0555 X(o=-0.055,f=-0.055) USER MOD Single : A 519 LYS NZ :NH3+ -125:sc= 0.12 (180deg=0) USER MOD Single : A 520 THR OG1 : rot 78:sc= 0.0486 USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 535 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-6.3!) USER MOD Single : A 536 MET CE :methyl -151:sc= -0.313 (180deg=-1.49!) USER MOD Single : A 537 MET CE :methyl 179:sc= -1.08 (180deg=-1.09) USER MOD Single : A 539 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 556 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.18) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 565 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 567 ASN : amide:sc= -0.0976 X(o=-0.098,f=-0.098) USER MOD Single : A 569 MET CE :methyl 151:sc= -0.841 (180deg=-2.49!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl 158:sc= -0.695 (180deg=-2.36!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.323 -7.734 7.570 1.00 0.00 N ATOM 446 CA THR A 504 -8.022 -8.176 6.371 1.00 0.00 C ATOM 447 C THR A 504 -8.011 -7.095 5.297 1.00 0.00 C ATOM 448 O THR A 504 -7.435 -7.278 4.225 1.00 0.00 O ATOM 449 CB THR A 504 -9.481 -8.562 6.681 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.537 -9.341 7.881 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.089 -9.348 5.530 1.00 0.00 C ATOM 0 HA THR A 504 -7.492 -9.054 6.003 1.00 0.00 H new ATOM 0 HB THR A 504 -10.055 -7.646 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 504 -8.868 -9.011 8.517 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.119 -9.609 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.072 -8.740 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.513 -10.259 5.367 1.00 0.00 H new ATOM 459 N GLN A 505 -8.652 -5.968 5.592 1.00 0.00 N ATOM 460 CA GLN A 505 -8.715 -4.857 4.651 1.00 0.00 C ATOM 461 C GLN A 505 -7.324 -4.496 4.140 1.00 0.00 C ATOM 462 O GLN A 505 -7.019 -4.679 2.962 1.00 0.00 O ATOM 463 CB GLN A 505 -9.361 -3.637 5.311 1.00 0.00 C ATOM 464 CG GLN A 505 -10.873 -3.738 5.427 1.00 0.00 C ATOM 465 CD GLN A 505 -11.496 -2.496 6.033 1.00 0.00 C ATOM 466 OE1 GLN A 505 -10.934 -1.886 6.943 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.665 -2.114 5.531 1.00 0.00 N ATOM 0 H GLN A 505 -9.135 -5.801 6.475 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.325 -5.168 3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -8.937 -3.505 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.108 -2.746 4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.299 -3.908 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.130 -4.604 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.095 -2.649 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.132 -1.286 5.900 1.00 0.00 H new ATOM 476 N GLN A 506 -6.485 -3.982 5.034 1.00 0.00 N ATOM 477 CA GLN A 506 -5.127 -3.595 4.673 1.00 0.00 C ATOM 478 C GLN A 506 -4.497 -4.625 3.741 1.00 0.00 C ATOM 479 O GLN A 506 -3.899 -4.273 2.723 1.00 0.00 O ATOM 480 CB GLN A 506 -4.269 -3.434 5.929 1.00 0.00 C ATOM 481 CG GLN A 506 -4.836 -2.440 6.930 1.00 0.00 C ATOM 482 CD GLN A 506 -3.882 -2.153 8.072 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.075 -3.003 8.451 1.00 0.00 O ATOM 484 NE2 GLN A 506 -3.968 -0.951 8.628 1.00 0.00 N ATOM 0 H GLN A 506 -6.722 -3.824 6.013 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.175 -2.640 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.163 -4.405 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.269 -3.113 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -5.073 -1.508 6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.772 -2.829 7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -4.651 -0.277 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -3.351 -0.701 9.401 1.00 0.00 H new ATOM 493 N LEU A 507 -4.634 -5.898 4.095 1.00 0.00 N ATOM 494 CA LEU A 507 -4.078 -6.980 3.290 1.00 0.00 C ATOM 495 C LEU A 507 -4.576 -6.899 1.851 1.00 0.00 C ATOM 496 O LEU A 507 -3.784 -6.889 0.908 1.00 0.00 O ATOM 497 CB LEU A 507 -4.450 -8.335 3.895 1.00 0.00 C ATOM 498 CG LEU A 507 -3.616 -8.786 5.095 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.355 -9.852 5.889 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.260 -9.304 4.637 1.00 0.00 C ATOM 0 H LEU A 507 -5.125 -6.206 4.934 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.993 -6.876 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.497 -8.300 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.369 -9.093 3.116 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.454 -7.926 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.746 -10.160 6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.301 -9.447 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.548 -10.713 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.680 -9.621 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.402 -10.151 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.726 -8.512 4.113 1.00 0.00 H new ATOM 512 N THR A 508 -5.894 -6.840 1.688 1.00 0.00 N ATOM 513 CA THR A 508 -6.498 -6.759 0.364 1.00 0.00 C ATOM 514 C THR A 508 -5.839 -5.670 -0.475 1.00 0.00 C ATOM 515 O THR A 508 -5.500 -5.888 -1.637 1.00 0.00 O ATOM 516 CB THR A 508 -8.010 -6.479 0.452 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.643 -7.464 1.277 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.643 -6.486 -0.931 1.00 0.00 C ATOM 0 H THR A 508 -6.564 -6.847 2.457 1.00 0.00 H new ATOM 0 HA THR A 508 -6.343 -7.726 -0.114 1.00 0.00 H new ATOM 0 HB THR A 508 -8.150 -5.492 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.604 -7.278 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.711 -6.286 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.179 -5.716 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.493 -7.461 -1.395 1.00 0.00 H new ATOM 526 N ALA A 509 -5.661 -4.496 0.123 1.00 0.00 N ATOM 527 CA ALA A 509 -5.040 -3.373 -0.569 1.00 0.00 C ATOM 528 C ALA A 509 -3.558 -3.632 -0.817 1.00 0.00 C ATOM 529 O ALA A 509 -3.026 -3.290 -1.873 1.00 0.00 O ATOM 530 CB ALA A 509 -5.227 -2.092 0.230 1.00 0.00 C ATOM 0 H ALA A 509 -5.938 -4.298 1.085 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.529 -3.260 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.758 -1.262 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.291 -1.891 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.765 -2.204 1.211 1.00 0.00 H new ATOM 536 N PHE A 510 -2.896 -4.239 0.163 1.00 0.00 N ATOM 537 CA PHE A 510 -1.474 -4.543 0.051 1.00 0.00 C ATOM 538 C PHE A 510 -1.192 -5.374 -1.197 1.00 0.00 C ATOM 539 O PHE A 510 -0.221 -5.128 -1.912 1.00 0.00 O ATOM 540 CB PHE A 510 -0.992 -5.292 1.296 1.00 0.00 C ATOM 541 CG PHE A 510 0.448 -5.711 1.222 1.00 0.00 C ATOM 542 CD1 PHE A 510 0.856 -6.681 0.320 1.00 0.00 C ATOM 543 CD2 PHE A 510 1.394 -5.137 2.055 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.180 -7.070 0.249 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.720 -5.521 1.988 1.00 0.00 C ATOM 546 CZ PHE A 510 3.114 -6.489 1.086 1.00 0.00 C ATOM 0 H PHE A 510 -3.321 -4.530 1.043 1.00 0.00 H new ATOM 0 HA PHE A 510 -0.932 -3.601 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.133 -4.656 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.613 -6.176 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 510 0.130 -7.139 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 510 1.092 -4.381 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 510 2.484 -7.827 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 510 3.448 -5.064 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.149 -6.792 1.034 1.00 0.00 H new ATOM 556 N GLN A 511 -2.048 -6.358 -1.452 1.00 0.00 N ATOM 557 CA GLN A 511 -1.890 -7.226 -2.612 1.00 0.00 C ATOM 558 C GLN A 511 -2.209 -6.476 -3.901 1.00 0.00 C ATOM 559 O GLN A 511 -1.491 -6.594 -4.895 1.00 0.00 O ATOM 560 CB GLN A 511 -2.795 -8.453 -2.486 1.00 0.00 C ATOM 561 CG GLN A 511 -2.345 -9.433 -1.414 1.00 0.00 C ATOM 562 CD GLN A 511 -1.090 -10.189 -1.804 1.00 0.00 C ATOM 563 OE1 GLN A 511 -0.038 -10.031 -1.183 1.00 0.00 O ATOM 564 NE2 GLN A 511 -1.194 -11.016 -2.837 1.00 0.00 N ATOM 0 H GLN A 511 -2.858 -6.574 -0.871 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.851 -7.552 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -3.810 -8.124 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -2.830 -8.968 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -2.165 -8.892 -0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -3.147 -10.145 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.085 -11.116 -3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -0.382 -11.552 -3.145 1.00 0.00 H new ATOM 573 N LEU A 512 -3.289 -5.703 -3.878 1.00 0.00 N ATOM 574 CA LEU A 512 -3.704 -4.932 -5.044 1.00 0.00 C ATOM 575 C LEU A 512 -2.609 -3.961 -5.473 1.00 0.00 C ATOM 576 O LEU A 512 -2.261 -3.883 -6.652 1.00 0.00 O ATOM 577 CB LEU A 512 -4.992 -4.165 -4.742 1.00 0.00 C ATOM 578 CG LEU A 512 -6.256 -5.011 -4.583 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.360 -4.202 -3.918 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.718 -5.538 -5.933 1.00 0.00 C ATOM 0 H LEU A 512 -3.894 -5.594 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 512 -3.887 -5.629 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.844 -3.593 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.159 -3.445 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.022 -5.862 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.252 -4.820 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.028 -3.874 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.592 -3.331 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.618 -6.138 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.934 -4.700 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -5.933 -6.154 -6.371 1.00 0.00 H new ATOM 592 N LEU A 513 -2.068 -3.225 -4.509 1.00 0.00 N ATOM 593 CA LEU A 513 -1.010 -2.260 -4.786 1.00 0.00 C ATOM 594 C LEU A 513 0.255 -2.962 -5.268 1.00 0.00 C ATOM 595 O LEU A 513 0.776 -2.659 -6.342 1.00 0.00 O ATOM 596 CB LEU A 513 -0.704 -1.436 -3.534 1.00 0.00 C ATOM 597 CG LEU A 513 -1.685 -0.307 -3.217 1.00 0.00 C ATOM 598 CD1 LEU A 513 -1.443 0.234 -1.816 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.570 0.806 -4.248 1.00 0.00 C ATOM 0 H LEU A 513 -2.344 -3.278 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.357 -1.594 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.669 -2.111 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.292 -1.006 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.697 -0.710 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -2.151 1.037 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -1.579 -0.566 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -0.426 0.620 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.276 1.601 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.556 1.206 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.796 0.410 -5.238 1.00 0.00 H new ATOM 611 N PHE A 514 0.744 -3.904 -4.468 1.00 0.00 N ATOM 612 CA PHE A 514 1.948 -4.651 -4.814 1.00 0.00 C ATOM 613 C PHE A 514 1.913 -5.094 -6.273 1.00 0.00 C ATOM 614 O PHE A 514 2.767 -4.709 -7.071 1.00 0.00 O ATOM 615 CB PHE A 514 2.096 -5.871 -3.902 1.00 0.00 C ATOM 616 CG PHE A 514 3.412 -6.578 -4.055 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.604 -5.905 -3.836 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.458 -7.914 -4.418 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.817 -6.553 -3.976 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.668 -8.567 -4.559 1.00 0.00 C ATOM 621 CZ PHE A 514 5.849 -7.886 -4.338 1.00 0.00 C ATOM 0 H PHE A 514 0.325 -4.168 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 514 2.806 -3.994 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.981 -5.556 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.289 -6.573 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.585 -4.863 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.538 -8.452 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.739 -6.018 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.690 -9.609 -4.842 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.796 -8.394 -4.448 1.00 0.00 H new ATOM 631 N ALA A 515 0.919 -5.908 -6.615 1.00 0.00 N ATOM 632 CA ALA A 515 0.770 -6.403 -7.978 1.00 0.00 C ATOM 633 C ALA A 515 0.706 -5.252 -8.976 1.00 0.00 C ATOM 634 O ALA A 515 1.435 -5.237 -9.967 1.00 0.00 O ATOM 635 CB ALA A 515 -0.473 -7.272 -8.091 1.00 0.00 C ATOM 0 H ALA A 515 0.205 -6.239 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 515 1.645 -7.008 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -0.572 -7.635 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -0.387 -8.120 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.353 -6.685 -7.828 1.00 0.00 H new ATOM 641 N TRP A 516 -0.171 -4.291 -8.708 1.00 0.00 N ATOM 642 CA TRP A 516 -0.330 -3.136 -9.584 1.00 0.00 C ATOM 643 C TRP A 516 1.018 -2.493 -9.888 1.00 0.00 C ATOM 644 O TRP A 516 1.294 -2.116 -11.027 1.00 0.00 O ATOM 645 CB TRP A 516 -1.266 -2.110 -8.944 1.00 0.00 C ATOM 646 CG TRP A 516 -1.071 -0.719 -9.468 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.707 -0.149 -10.534 1.00 0.00 C ATOM 648 CD2 TRP A 516 -0.178 0.274 -8.953 1.00 0.00 C ATOM 649 NE1 TRP A 516 -1.264 1.140 -10.711 1.00 0.00 N ATOM 650 CE2 TRP A 516 -0.326 1.423 -9.754 1.00 0.00 C ATOM 651 CE3 TRP A 516 0.730 0.306 -7.891 1.00 0.00 C ATOM 652 CZ2 TRP A 516 0.402 2.588 -9.525 1.00 0.00 C ATOM 653 CZ3 TRP A 516 1.452 1.462 -7.666 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.284 2.591 -8.479 1.00 0.00 C ATOM 0 H TRP A 516 -0.782 -4.289 -7.892 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.766 -3.480 -10.522 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.299 -2.414 -9.116 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -1.110 -2.109 -7.865 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.449 -0.639 -11.147 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -1.582 1.782 -11.437 1.00 0.00 H new ATOM 0 HE3 TRP A 516 0.865 -0.558 -7.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.275 3.459 -10.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.158 1.496 -6.849 1.00 0.00 H new ATOM 0 HH2 TRP A 516 1.862 3.481 -8.276 1.00 0.00 H new ATOM 665 N ARG A 517 1.855 -2.371 -8.863 1.00 0.00 N ATOM 666 CA ARG A 517 3.175 -1.772 -9.021 1.00 0.00 C ATOM 667 C ARG A 517 4.020 -2.572 -10.008 1.00 0.00 C ATOM 668 O ARG A 517 4.414 -2.063 -11.058 1.00 0.00 O ATOM 669 CB ARG A 517 3.888 -1.693 -7.670 1.00 0.00 C ATOM 670 CG ARG A 517 5.021 -0.680 -7.637 1.00 0.00 C ATOM 671 CD ARG A 517 6.059 -1.039 -6.585 1.00 0.00 C ATOM 672 NE ARG A 517 5.474 -1.137 -5.250 1.00 0.00 N ATOM 673 CZ ARG A 517 6.015 -1.838 -4.260 1.00 0.00 C ATOM 674 NH1 ARG A 517 7.148 -2.499 -4.454 1.00 0.00 N ATOM 675 NH2 ARG A 517 5.423 -1.879 -3.074 1.00 0.00 N ATOM 0 H ARG A 517 1.643 -2.679 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 517 3.044 -0.764 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.161 -1.437 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.284 -2.677 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 517 5.496 -0.632 -8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 517 4.618 0.311 -7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.527 -1.988 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 517 6.847 -0.286 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 517 4.602 -0.640 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 517 7.606 -2.470 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 517 7.562 -3.037 -3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 517 4.551 -1.372 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 517 5.839 -2.418 -2.315 1.00 0.00 H new ATOM 689 N ASP A 518 4.295 -3.825 -9.664 1.00 0.00 N ATOM 690 CA ASP A 518 5.093 -4.696 -10.520 1.00 0.00 C ATOM 691 C ASP A 518 4.728 -4.498 -11.988 1.00 0.00 C ATOM 692 O ASP A 518 5.603 -4.399 -12.848 1.00 0.00 O ATOM 693 CB ASP A 518 4.891 -6.159 -10.124 1.00 0.00 C ATOM 694 CG ASP A 518 5.303 -7.118 -11.224 1.00 0.00 C ATOM 695 OD1 ASP A 518 4.698 -7.064 -12.316 1.00 0.00 O ATOM 696 OD2 ASP A 518 6.230 -7.922 -10.993 1.00 0.00 O ATOM 0 H ASP A 518 3.977 -4.261 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 518 6.142 -4.433 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 518 5.469 -6.372 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.843 -6.324 -9.876 1.00 0.00 H new ATOM 701 N LYS A 519 3.430 -4.441 -12.267 1.00 0.00 N ATOM 702 CA LYS A 519 2.948 -4.254 -13.630 1.00 0.00 C ATOM 703 C LYS A 519 3.476 -2.951 -14.221 1.00 0.00 C ATOM 704 O LYS A 519 4.163 -2.953 -15.243 1.00 0.00 O ATOM 705 CB LYS A 519 1.418 -4.255 -13.656 1.00 0.00 C ATOM 706 CG LYS A 519 0.832 -3.893 -15.010 1.00 0.00 C ATOM 707 CD LYS A 519 -0.549 -3.276 -14.874 1.00 0.00 C ATOM 708 CE LYS A 519 -0.467 -1.798 -14.525 1.00 0.00 C ATOM 709 NZ LYS A 519 -1.740 -1.295 -13.938 1.00 0.00 N ATOM 0 H LYS A 519 2.693 -4.522 -11.567 1.00 0.00 H new ATOM 0 HA LYS A 519 3.317 -5.082 -14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 519 1.059 -5.243 -13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 519 1.050 -3.551 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 519 1.495 -3.194 -15.519 1.00 0.00 H new ATOM 0 HG3 LYS A 519 0.773 -4.786 -15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 519 -1.098 -3.401 -15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -1.110 -3.803 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 519 0.347 -1.636 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.230 -1.226 -15.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -2.076 -0.477 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.457 -2.048 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -1.578 -1.008 -12.952 1.00 0.00 H new ATOM 723 N THR A 520 3.154 -1.837 -13.569 1.00 0.00 N ATOM 724 CA THR A 520 3.596 -0.527 -14.030 1.00 0.00 C ATOM 725 C THR A 520 5.117 -0.458 -14.113 1.00 0.00 C ATOM 726 O THR A 520 5.671 0.279 -14.928 1.00 0.00 O ATOM 727 CB THR A 520 3.093 0.594 -13.101 1.00 0.00 C ATOM 728 OG1 THR A 520 1.676 0.485 -12.926 1.00 0.00 O ATOM 729 CG2 THR A 520 3.434 1.962 -13.671 1.00 0.00 C ATOM 0 H THR A 520 2.589 -1.817 -12.720 1.00 0.00 H new ATOM 0 HA THR A 520 3.173 -0.382 -15.024 1.00 0.00 H new ATOM 0 HB THR A 520 3.588 0.486 -12.136 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.480 -0.228 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.069 2.738 -12.998 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.515 2.053 -13.777 1.00 0.00 H new ATOM 0 HG23 THR A 520 2.963 2.077 -14.647 1.00 0.00 H new ATOM 737 N ALA A 521 5.787 -1.232 -13.264 1.00 0.00 N ATOM 738 CA ALA A 521 7.244 -1.260 -13.244 1.00 0.00 C ATOM 739 C ALA A 521 7.804 -1.677 -14.600 1.00 0.00 C ATOM 740 O ALA A 521 8.626 -0.973 -15.186 1.00 0.00 O ATOM 741 CB ALA A 521 7.738 -2.200 -12.154 1.00 0.00 C ATOM 0 H ALA A 521 5.344 -1.847 -12.582 1.00 0.00 H new ATOM 0 HA ALA A 521 7.600 -0.253 -13.028 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.828 -2.212 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.375 -1.856 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.365 -3.206 -12.345 1.00 0.00 H new ATOM 747 N ARG A 522 7.354 -2.827 -15.092 1.00 0.00 N ATOM 748 CA ARG A 522 7.812 -3.339 -16.378 1.00 0.00 C ATOM 749 C ARG A 522 7.503 -2.349 -17.498 1.00 0.00 C ATOM 750 O ARG A 522 8.364 -2.042 -18.323 1.00 0.00 O ATOM 751 CB ARG A 522 7.154 -4.687 -16.678 1.00 0.00 C ATOM 752 CG ARG A 522 7.448 -5.210 -18.074 1.00 0.00 C ATOM 753 CD ARG A 522 6.311 -6.077 -18.595 1.00 0.00 C ATOM 754 NE ARG A 522 6.586 -6.594 -19.933 1.00 0.00 N ATOM 755 CZ ARG A 522 7.336 -7.665 -20.167 1.00 0.00 C ATOM 756 NH1 ARG A 522 7.883 -8.329 -19.158 1.00 0.00 N ATOM 757 NH2 ARG A 522 7.540 -8.074 -21.413 1.00 0.00 N ATOM 0 H ARG A 522 6.673 -3.421 -14.620 1.00 0.00 H new ATOM 0 HA ARG A 522 8.892 -3.474 -16.323 1.00 0.00 H new ATOM 0 HB2 ARG A 522 7.494 -5.419 -15.946 1.00 0.00 H new ATOM 0 HB3 ARG A 522 6.075 -4.591 -16.555 1.00 0.00 H new ATOM 0 HG2 ARG A 522 7.608 -4.371 -18.752 1.00 0.00 H new ATOM 0 HG3 ARG A 522 8.371 -5.789 -18.060 1.00 0.00 H new ATOM 0 HD2 ARG A 522 6.147 -6.910 -17.911 1.00 0.00 H new ATOM 0 HD3 ARG A 522 5.390 -5.494 -18.614 1.00 0.00 H new ATOM 0 HE ARG A 522 6.180 -6.106 -20.731 1.00 0.00 H new ATOM 0 HH11 ARG A 522 7.728 -8.018 -18.199 1.00 0.00 H new ATOM 0 HH12 ARG A 522 8.458 -9.151 -19.341 1.00 0.00 H new ATOM 0 HH21 ARG A 522 7.121 -7.566 -22.192 1.00 0.00 H new ATOM 0 HH22 ARG A 522 8.116 -8.897 -21.592 1.00 0.00 H new ATOM 771 N ARG A 523 6.270 -1.855 -17.521 1.00 0.00 N ATOM 772 CA ARG A 523 5.847 -0.902 -18.540 1.00 0.00 C ATOM 773 C ARG A 523 6.734 0.340 -18.525 1.00 0.00 C ATOM 774 O ARG A 523 7.164 0.819 -19.573 1.00 0.00 O ATOM 775 CB ARG A 523 4.387 -0.501 -18.320 1.00 0.00 C ATOM 776 CG ARG A 523 3.392 -1.436 -18.989 1.00 0.00 C ATOM 777 CD ARG A 523 3.267 -2.750 -18.233 1.00 0.00 C ATOM 778 NE ARG A 523 2.138 -3.547 -18.705 1.00 0.00 N ATOM 779 CZ ARG A 523 2.016 -4.851 -18.483 1.00 0.00 C ATOM 780 NH1 ARG A 523 2.948 -5.501 -17.801 1.00 0.00 N ATOM 781 NH2 ARG A 523 0.959 -5.507 -18.944 1.00 0.00 N ATOM 0 H ARG A 523 5.546 -2.099 -16.845 1.00 0.00 H new ATOM 0 HA ARG A 523 5.942 -1.384 -19.513 1.00 0.00 H new ATOM 0 HB2 ARG A 523 4.184 -0.473 -17.249 1.00 0.00 H new ATOM 0 HB3 ARG A 523 4.235 0.509 -18.699 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.417 -0.952 -19.044 1.00 0.00 H new ATOM 0 HG3 ARG A 523 3.708 -1.633 -20.013 1.00 0.00 H new ATOM 0 HD2 ARG A 523 4.188 -3.323 -18.346 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.147 -2.546 -17.169 1.00 0.00 H new ATOM 0 HE ARG A 523 1.403 -3.077 -19.234 1.00 0.00 H new ATOM 0 HH11 ARG A 523 3.762 -5.000 -17.445 1.00 0.00 H new ATOM 0 HH12 ARG A 523 2.851 -6.502 -17.632 1.00 0.00 H new ATOM 0 HH21 ARG A 523 0.240 -5.010 -19.469 1.00 0.00 H new ATOM 0 HH22 ARG A 523 0.866 -6.508 -18.773 1.00 0.00 H new ATOM 795 N GLU A 524 7.003 0.854 -17.329 1.00 0.00 N ATOM 796 CA GLU A 524 7.838 2.040 -17.178 1.00 0.00 C ATOM 797 C GLU A 524 9.318 1.674 -17.229 1.00 0.00 C ATOM 798 O GLU A 524 10.186 2.526 -17.041 1.00 0.00 O ATOM 799 CB GLU A 524 7.522 2.749 -15.860 1.00 0.00 C ATOM 800 CG GLU A 524 6.219 3.532 -15.886 1.00 0.00 C ATOM 801 CD GLU A 524 6.242 4.668 -16.891 1.00 0.00 C ATOM 802 OE1 GLU A 524 7.189 5.480 -16.847 1.00 0.00 O ATOM 803 OE2 GLU A 524 5.311 4.744 -17.720 1.00 0.00 O ATOM 0 H GLU A 524 6.655 0.468 -16.451 1.00 0.00 H new ATOM 0 HA GLU A 524 7.620 2.714 -18.006 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.475 2.009 -15.061 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.339 3.428 -15.618 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.398 2.856 -16.126 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.021 3.934 -14.893 1.00 0.00 H new ATOM 810 N ASP A 525 9.598 0.401 -17.485 1.00 0.00 N ATOM 811 CA ASP A 525 10.973 -0.080 -17.561 1.00 0.00 C ATOM 812 C ASP A 525 11.799 0.449 -16.393 1.00 0.00 C ATOM 813 O ASP A 525 12.962 0.815 -16.559 1.00 0.00 O ATOM 814 CB ASP A 525 11.610 0.343 -18.885 1.00 0.00 C ATOM 815 CG ASP A 525 11.024 -0.395 -20.072 1.00 0.00 C ATOM 816 OD1 ASP A 525 9.782 -0.507 -20.148 1.00 0.00 O ATOM 817 OD2 ASP A 525 11.807 -0.861 -20.926 1.00 0.00 O ATOM 0 H ASP A 525 8.891 -0.317 -17.644 1.00 0.00 H new ATOM 0 HA ASP A 525 10.955 -1.168 -17.506 1.00 0.00 H new ATOM 0 HB2 ASP A 525 11.473 1.415 -19.024 1.00 0.00 H new ATOM 0 HB3 ASP A 525 12.684 0.162 -18.842 1.00 0.00 H new ATOM 822 N GLU A 526 11.189 0.487 -15.212 1.00 0.00 N ATOM 823 CA GLU A 526 11.868 0.973 -14.017 1.00 0.00 C ATOM 824 C GLU A 526 12.001 -0.136 -12.978 1.00 0.00 C ATOM 825 O GLU A 526 11.373 -1.189 -13.094 1.00 0.00 O ATOM 826 CB GLU A 526 11.109 2.160 -13.419 1.00 0.00 C ATOM 827 CG GLU A 526 11.504 3.499 -14.018 1.00 0.00 C ATOM 828 CD GLU A 526 13.007 3.665 -14.136 1.00 0.00 C ATOM 829 OE1 GLU A 526 13.641 4.058 -13.135 1.00 0.00 O ATOM 830 OE2 GLU A 526 13.548 3.402 -15.230 1.00 0.00 O ATOM 0 H GLU A 526 10.226 0.187 -15.058 1.00 0.00 H new ATOM 0 HA GLU A 526 12.868 1.299 -14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.040 2.007 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 526 11.283 2.187 -12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 526 11.053 3.598 -15.005 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.101 4.302 -13.401 1.00 0.00 H new ATOM 837 N SER A 527 12.822 0.108 -11.962 1.00 0.00 N ATOM 838 CA SER A 527 13.042 -0.871 -10.903 1.00 0.00 C ATOM 839 C SER A 527 11.814 -0.984 -10.005 1.00 0.00 C ATOM 840 O SER A 527 11.197 0.021 -9.649 1.00 0.00 O ATOM 841 CB SER A 527 14.265 -0.486 -10.069 1.00 0.00 C ATOM 842 OG SER A 527 14.460 -1.397 -9.001 1.00 0.00 O ATOM 0 H SER A 527 13.346 0.976 -11.849 1.00 0.00 H new ATOM 0 HA SER A 527 13.220 -1.840 -11.369 1.00 0.00 H new ATOM 0 HB2 SER A 527 15.151 -0.469 -10.703 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.137 0.522 -9.673 1.00 0.00 H new ATOM 0 HG SER A 527 15.249 -1.131 -8.484 1.00 0.00 H new ATOM 848 N TYR A 528 11.465 -2.213 -9.642 1.00 0.00 N ATOM 849 CA TYR A 528 10.309 -2.459 -8.788 1.00 0.00 C ATOM 850 C TYR A 528 10.259 -1.456 -7.639 1.00 0.00 C ATOM 851 O TYR A 528 9.264 -0.757 -7.454 1.00 0.00 O ATOM 852 CB TYR A 528 10.353 -3.884 -8.234 1.00 0.00 C ATOM 853 CG TYR A 528 10.106 -4.948 -9.279 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.939 -4.951 -10.034 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.040 -5.950 -9.513 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.709 -5.921 -10.990 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.819 -6.923 -10.468 1.00 0.00 C ATOM 858 CZ TYR A 528 9.652 -6.905 -11.204 1.00 0.00 C ATOM 859 OH TYR A 528 9.428 -7.874 -12.155 1.00 0.00 O ATOM 0 H TYR A 528 11.966 -3.055 -9.926 1.00 0.00 H new ATOM 0 HA TYR A 528 9.410 -2.338 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.327 -4.056 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.607 -3.981 -7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.199 -4.181 -9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 528 11.954 -5.968 -8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.796 -5.909 -11.567 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.556 -7.694 -10.638 1.00 0.00 H new ATOM 0 HH TYR A 528 10.190 -8.490 -12.180 1.00 0.00 H new ATOM 869 N GLY A 529 11.341 -1.392 -6.869 1.00 0.00 N ATOM 870 CA GLY A 529 11.401 -0.472 -5.748 1.00 0.00 C ATOM 871 C GLY A 529 11.264 0.975 -6.178 1.00 0.00 C ATOM 872 O GLY A 529 10.416 1.705 -5.664 1.00 0.00 O ATOM 0 H GLY A 529 12.177 -1.961 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 529 10.608 -0.714 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.347 -0.604 -5.224 1.00 0.00 H new ATOM 876 N TYR A 530 12.102 1.392 -7.121 1.00 0.00 N ATOM 877 CA TYR A 530 12.073 2.763 -7.616 1.00 0.00 C ATOM 878 C TYR A 530 10.638 3.258 -7.766 1.00 0.00 C ATOM 879 O TYR A 530 10.294 4.348 -7.307 1.00 0.00 O ATOM 880 CB TYR A 530 12.800 2.857 -8.959 1.00 0.00 C ATOM 881 CG TYR A 530 12.574 4.168 -9.679 1.00 0.00 C ATOM 882 CD1 TYR A 530 11.386 4.417 -10.353 1.00 0.00 C ATOM 883 CD2 TYR A 530 13.550 5.157 -9.683 1.00 0.00 C ATOM 884 CE1 TYR A 530 11.176 5.612 -11.013 1.00 0.00 C ATOM 885 CE2 TYR A 530 13.348 6.356 -10.339 1.00 0.00 C ATOM 886 CZ TYR A 530 12.160 6.579 -11.003 1.00 0.00 C ATOM 887 OH TYR A 530 11.954 7.771 -11.657 1.00 0.00 O ATOM 0 H TYR A 530 12.809 0.801 -7.557 1.00 0.00 H new ATOM 0 HA TYR A 530 12.582 3.396 -6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.869 2.722 -8.794 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.470 2.039 -9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 530 10.613 3.663 -10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 530 14.482 4.986 -9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.247 5.788 -11.534 1.00 0.00 H new ATOM 0 HE2 TYR A 530 14.117 7.115 -10.332 1.00 0.00 H new ATOM 0 HH TYR A 530 12.743 8.342 -11.552 1.00 0.00 H new ATOM 897 N VAL A 531 9.804 2.450 -8.412 1.00 0.00 N ATOM 898 CA VAL A 531 8.405 2.803 -8.622 1.00 0.00 C ATOM 899 C VAL A 531 7.721 3.144 -7.303 1.00 0.00 C ATOM 900 O VAL A 531 7.317 4.285 -7.077 1.00 0.00 O ATOM 901 CB VAL A 531 7.634 1.660 -9.308 1.00 0.00 C ATOM 902 CG1 VAL A 531 6.160 2.011 -9.436 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.238 1.353 -10.670 1.00 0.00 C ATOM 0 H VAL A 531 10.073 1.546 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 531 8.393 3.679 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 531 7.717 0.766 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.632 1.191 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.738 2.176 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 531 6.052 2.917 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.681 0.543 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 531 8.187 2.242 -11.299 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.279 1.054 -10.547 1.00 0.00 H new ATOM 913 N LEU A 532 7.593 2.147 -6.435 1.00 0.00 N ATOM 914 CA LEU A 532 6.957 2.340 -5.136 1.00 0.00 C ATOM 915 C LEU A 532 7.605 1.456 -4.075 1.00 0.00 C ATOM 916 O LEU A 532 7.600 0.229 -4.167 1.00 0.00 O ATOM 917 CB LEU A 532 5.461 2.032 -5.228 1.00 0.00 C ATOM 918 CG LEU A 532 4.708 1.961 -3.899 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.376 3.358 -3.398 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.441 1.131 -4.048 1.00 0.00 C ATOM 0 H LEU A 532 7.921 1.197 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 532 7.091 3.382 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 532 4.991 2.795 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.337 1.080 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 532 5.352 1.477 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.840 3.287 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.298 3.921 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.751 3.869 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.918 1.091 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.794 1.586 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.703 0.120 -4.361 1.00 0.00 H new ATOM 932 N PRO A 533 8.177 2.094 -3.043 1.00 0.00 N ATOM 933 CA PRO A 533 8.838 1.385 -1.943 1.00 0.00 C ATOM 934 C PRO A 533 7.848 0.635 -1.059 1.00 0.00 C ATOM 935 O PRO A 533 6.644 0.883 -1.109 1.00 0.00 O ATOM 936 CB PRO A 533 9.515 2.508 -1.153 1.00 0.00 C ATOM 937 CG PRO A 533 8.709 3.724 -1.456 1.00 0.00 C ATOM 938 CD PRO A 533 8.221 3.555 -2.869 1.00 0.00 C ATOM 0 HA PRO A 533 9.529 0.624 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.520 2.293 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.554 2.636 -1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 533 7.873 3.821 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.312 4.627 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.239 4.006 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 533 8.895 4.025 -3.586 1.00 0.00 H new ATOM 946 N ASN A 534 8.363 -0.284 -0.249 1.00 0.00 N ATOM 947 CA ASN A 534 7.523 -1.071 0.647 1.00 0.00 C ATOM 948 C ASN A 534 6.934 -0.196 1.749 1.00 0.00 C ATOM 949 O ASN A 534 5.723 0.020 1.805 1.00 0.00 O ATOM 950 CB ASN A 534 8.332 -2.214 1.265 1.00 0.00 C ATOM 951 CG ASN A 534 8.989 -3.091 0.217 1.00 0.00 C ATOM 952 OD1 ASN A 534 8.330 -3.580 -0.701 1.00 0.00 O ATOM 953 ND2 ASN A 534 10.294 -3.294 0.349 1.00 0.00 N ATOM 0 H ASN A 534 9.358 -0.502 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 534 6.703 -1.489 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.098 -1.800 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 534 7.677 -2.824 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 534 10.791 -3.875 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 534 10.800 -2.869 1.126 1.00 0.00 H new ATOM 960 N HIS A 535 7.799 0.306 2.625 1.00 0.00 N ATOM 961 CA HIS A 535 7.365 1.159 3.725 1.00 0.00 C ATOM 962 C HIS A 535 6.199 2.046 3.298 1.00 0.00 C ATOM 963 O HIS A 535 5.186 2.132 3.991 1.00 0.00 O ATOM 964 CB HIS A 535 8.526 2.024 4.217 1.00 0.00 C ATOM 965 CG HIS A 535 9.338 2.622 3.109 1.00 0.00 C ATOM 966 ND1 HIS A 535 8.971 3.774 2.444 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.505 2.223 2.551 1.00 0.00 C ATOM 968 CE1 HIS A 535 9.876 4.055 1.525 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.818 3.130 1.569 1.00 0.00 N ATOM 0 H HIS A 535 8.804 0.137 2.594 1.00 0.00 H new ATOM 0 HA HIS A 535 7.030 0.517 4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.132 2.826 4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.177 1.419 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.082 1.353 2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 535 9.851 4.899 0.851 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.643 3.095 0.971 1.00 0.00 H new ATOM 977 N MET A 536 6.351 2.703 2.153 1.00 0.00 N ATOM 978 CA MET A 536 5.310 3.583 1.634 1.00 0.00 C ATOM 979 C MET A 536 4.014 2.814 1.403 1.00 0.00 C ATOM 980 O MET A 536 2.982 3.125 1.998 1.00 0.00 O ATOM 981 CB MET A 536 5.769 4.236 0.328 1.00 0.00 C ATOM 982 CG MET A 536 4.765 5.224 -0.243 1.00 0.00 C ATOM 983 SD MET A 536 5.481 6.288 -1.511 1.00 0.00 S ATOM 984 CE MET A 536 6.762 7.117 -0.573 1.00 0.00 C ATOM 0 H MET A 536 7.184 2.643 1.567 1.00 0.00 H new ATOM 0 HA MET A 536 5.123 4.360 2.375 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.714 4.750 0.501 1.00 0.00 H new ATOM 0 HB3 MET A 536 5.960 3.457 -0.410 1.00 0.00 H new ATOM 0 HG2 MET A 536 3.923 4.676 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.370 5.842 0.564 1.00 0.00 H new ATOM 0 HE1 MET A 536 6.940 8.106 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 536 6.445 7.218 0.465 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.681 6.533 -0.617 1.00 0.00 H new ATOM 994 N MET A 537 4.073 1.810 0.534 1.00 0.00 N ATOM 995 CA MET A 537 2.903 0.996 0.226 1.00 0.00 C ATOM 996 C MET A 537 2.132 0.650 1.496 1.00 0.00 C ATOM 997 O MET A 537 0.918 0.845 1.569 1.00 0.00 O ATOM 998 CB MET A 537 3.322 -0.286 -0.495 1.00 0.00 C ATOM 999 CG MET A 537 2.172 -1.249 -0.742 1.00 0.00 C ATOM 1000 SD MET A 537 2.584 -2.531 -1.941 1.00 0.00 S ATOM 1001 CE MET A 537 3.762 -3.503 -1.006 1.00 0.00 C ATOM 0 H MET A 537 4.918 1.541 0.031 1.00 0.00 H new ATOM 0 HA MET A 537 2.251 1.575 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 537 3.777 -0.024 -1.450 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.087 -0.791 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 537 1.886 -1.717 0.200 1.00 0.00 H new ATOM 0 HG3 MET A 537 1.306 -0.691 -1.096 1.00 0.00 H new ATOM 0 HE1 MET A 537 4.097 -4.347 -1.609 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.619 -2.882 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 537 3.288 -3.872 -0.096 1.00 0.00 H new ATOM 1011 N LEU A 538 2.843 0.136 2.493 1.00 0.00 N ATOM 1012 CA LEU A 538 2.224 -0.238 3.760 1.00 0.00 C ATOM 1013 C LEU A 538 1.401 0.915 4.325 1.00 0.00 C ATOM 1014 O LEU A 538 0.195 0.786 4.536 1.00 0.00 O ATOM 1015 CB LEU A 538 3.296 -0.657 4.769 1.00 0.00 C ATOM 1016 CG LEU A 538 3.849 -2.073 4.611 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.056 -2.279 5.514 1.00 0.00 C ATOM 1018 CD2 LEU A 538 2.771 -3.104 4.917 1.00 0.00 C ATOM 0 H LEU A 538 3.848 -0.031 2.449 1.00 0.00 H new ATOM 0 HA LEU A 538 1.557 -1.080 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.126 0.046 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 538 2.880 -0.561 5.772 1.00 0.00 H new ATOM 0 HG LEU A 538 4.167 -2.204 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.436 -3.293 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 538 5.835 -1.564 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 538 4.763 -2.128 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.182 -4.106 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.422 -2.973 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 538 1.936 -2.972 4.230 1.00 0.00 H new ATOM 1030 N LYS A 539 2.059 2.043 4.566 1.00 0.00 N ATOM 1031 CA LYS A 539 1.389 3.221 5.103 1.00 0.00 C ATOM 1032 C LYS A 539 0.057 3.458 4.399 1.00 0.00 C ATOM 1033 O LYS A 539 -0.944 3.784 5.037 1.00 0.00 O ATOM 1034 CB LYS A 539 2.283 4.455 4.954 1.00 0.00 C ATOM 1035 CG LYS A 539 1.681 5.717 5.546 1.00 0.00 C ATOM 1036 CD LYS A 539 2.534 6.937 5.243 1.00 0.00 C ATOM 1037 CE LYS A 539 2.110 8.136 6.078 1.00 0.00 C ATOM 1038 NZ LYS A 539 0.724 8.573 5.757 1.00 0.00 N ATOM 0 H LYS A 539 3.057 2.167 4.398 1.00 0.00 H new ATOM 0 HA LYS A 539 1.195 3.046 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.241 4.259 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.486 4.621 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 539 0.678 5.865 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.580 5.601 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 539 3.581 6.708 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 539 2.455 7.184 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 539 2.175 7.883 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 539 2.800 8.962 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 0.509 9.451 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 0.641 8.742 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 0.052 7.832 6.041 1.00 0.00 H new ATOM 1052 N ILE A 540 0.052 3.290 3.081 1.00 0.00 N ATOM 1053 CA ILE A 540 -1.158 3.482 2.291 1.00 0.00 C ATOM 1054 C ILE A 540 -2.167 2.369 2.550 1.00 0.00 C ATOM 1055 O ILE A 540 -3.299 2.625 2.957 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.845 3.535 0.784 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.258 4.559 0.506 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -2.100 3.873 -0.006 1.00 0.00 C ATOM 1059 CD1 ILE A 540 0.974 4.334 -0.807 1.00 0.00 C ATOM 0 H ILE A 540 0.872 3.021 2.538 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.586 4.436 2.599 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.493 2.554 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.177 5.559 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 540 0.985 4.527 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.863 3.907 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.859 3.111 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.480 4.844 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.742 5.096 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.438 3.348 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.258 4.395 -1.627 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.747 1.130 2.314 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.612 -0.024 2.525 1.00 0.00 C ATOM 1073 C ALA A 541 -3.208 -0.013 3.928 1.00 0.00 C ATOM 1074 O ALA A 541 -4.292 -0.549 4.156 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.839 -1.313 2.288 1.00 0.00 C ATOM 0 H ALA A 541 -0.812 0.900 1.976 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.432 0.032 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.497 -2.167 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -1.466 -1.330 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.999 -1.366 2.981 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.493 0.602 4.866 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.953 0.680 6.247 1.00 0.00 C ATOM 1083 C GLU A 542 -3.815 1.921 6.464 1.00 0.00 C ATOM 1084 O GLU A 542 -4.648 1.960 7.369 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.760 0.701 7.205 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.897 -0.548 7.130 1.00 0.00 C ATOM 1087 CD GLU A 542 -0.158 -0.825 8.424 1.00 0.00 C ATOM 1088 OE1 GLU A 542 -0.717 -0.530 9.501 1.00 0.00 O ATOM 1089 OE2 GLU A 542 0.980 -1.336 8.360 1.00 0.00 O ATOM 0 H GLU A 542 -1.594 1.053 4.694 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.559 -0.203 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -1.143 1.572 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -2.126 0.819 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.525 -1.404 6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.176 -0.438 6.320 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.606 2.933 5.628 1.00 0.00 N ATOM 1097 CA GLU A 543 -4.362 4.175 5.729 1.00 0.00 C ATOM 1098 C GLU A 543 -5.739 4.028 5.088 1.00 0.00 C ATOM 1099 O GLU A 543 -6.742 4.494 5.630 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.597 5.320 5.062 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.502 5.910 5.935 1.00 0.00 C ATOM 1102 CD GLU A 543 -3.009 7.015 6.841 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -4.002 7.677 6.472 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.414 7.217 7.920 1.00 0.00 O ATOM 0 H GLU A 543 -2.920 2.917 4.874 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.495 4.404 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -3.155 4.958 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.301 6.108 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.062 5.120 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.708 6.302 5.300 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.779 3.378 3.930 1.00 0.00 N ATOM 1112 CA LEU A 544 -7.032 3.169 3.213 1.00 0.00 C ATOM 1113 C LEU A 544 -7.793 4.481 3.052 1.00 0.00 C ATOM 1114 O LEU A 544 -8.965 4.596 3.413 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.901 2.149 3.951 1.00 0.00 C ATOM 1116 CG LEU A 544 -7.262 0.783 4.207 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -8.265 -0.163 4.849 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.724 0.195 2.911 1.00 0.00 C ATOM 0 H LEU A 544 -4.958 2.987 3.468 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.794 2.784 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -8.193 2.577 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.816 1.998 3.378 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.428 0.916 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.793 -1.130 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.602 0.253 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -9.120 -0.291 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.273 -0.777 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.541 0.076 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.972 0.864 2.492 1.00 0.00 H new ATOM 1130 N PRO A 545 -7.114 5.495 2.496 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.708 6.817 2.272 1.00 0.00 C ATOM 1132 C PRO A 545 -8.769 6.797 1.177 1.00 0.00 C ATOM 1133 O PRO A 545 -8.465 6.567 0.007 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.514 7.674 1.844 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.540 6.706 1.266 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.715 5.429 2.042 1.00 0.00 C ATOM 0 HA PRO A 545 -8.221 7.189 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.808 8.425 1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -6.086 8.208 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.731 6.547 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.520 7.079 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.536 4.553 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -5.022 5.371 2.882 1.00 0.00 H new ATOM 1144 N LYS A 546 -10.017 7.042 1.565 1.00 0.00 N ATOM 1145 CA LYS A 546 -11.124 7.055 0.617 1.00 0.00 C ATOM 1146 C LYS A 546 -10.778 7.887 -0.614 1.00 0.00 C ATOM 1147 O LYS A 546 -10.902 7.420 -1.745 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.386 7.610 1.282 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.212 9.011 1.843 1.00 0.00 C ATOM 1150 CD LYS A 546 -13.294 9.344 2.855 1.00 0.00 C ATOM 1151 CE LYS A 546 -12.910 8.883 4.253 1.00 0.00 C ATOM 1152 NZ LYS A 546 -13.894 9.336 5.276 1.00 0.00 N ATOM 0 H LYS A 546 -10.286 7.234 2.530 1.00 0.00 H new ATOM 0 HA LYS A 546 -11.309 6.029 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.197 7.617 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.687 6.940 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.233 9.096 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -12.238 9.736 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -13.470 10.420 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -14.230 8.870 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -12.842 7.795 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -11.922 9.268 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -13.597 9.002 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -13.941 10.375 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -14.832 8.948 5.051 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.341 9.122 -0.384 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.976 10.018 -1.474 1.00 0.00 C ATOM 1168 C GLU A 547 -8.567 9.718 -1.976 1.00 0.00 C ATOM 1169 O GLU A 547 -7.728 9.172 -1.259 1.00 0.00 O ATOM 1170 CB GLU A 547 -10.068 11.476 -1.019 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.486 12.022 -1.006 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.630 13.250 -0.128 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.166 14.332 -0.543 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -12.207 13.128 0.973 1.00 0.00 O ATOM 0 H GLU A 547 -10.232 9.524 0.547 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.677 9.856 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.645 11.563 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.456 12.093 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.785 12.271 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.167 11.247 -0.654 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.299 10.082 -3.239 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.992 9.863 -3.866 1.00 0.00 C ATOM 1183 C PRO A 548 -5.908 10.757 -3.274 1.00 0.00 C ATOM 1184 O PRO A 548 -4.726 10.596 -3.577 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.238 10.221 -5.334 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.387 11.169 -5.305 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.251 10.738 -4.152 1.00 0.00 C ATOM 0 HA PRO A 548 -6.634 8.845 -3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.357 10.680 -5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.471 9.335 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.043 12.195 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.943 11.137 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.742 11.588 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -10.037 10.054 -4.472 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.318 11.697 -2.429 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.380 12.616 -1.796 1.00 0.00 C ATOM 1197 C GLN A 549 -4.515 11.890 -0.771 1.00 0.00 C ATOM 1198 O GLN A 549 -3.318 12.150 -0.658 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.134 13.764 -1.123 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.223 14.781 -0.454 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.872 15.447 0.744 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -5.970 14.855 1.819 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -6.319 16.684 0.564 1.00 0.00 N ATOM 0 H GLN A 549 -7.293 11.842 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.730 13.023 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.746 14.272 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.815 13.353 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.304 14.287 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.941 15.543 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -6.217 17.136 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.765 17.182 1.334 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.131 10.979 -0.023 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.402 10.230 0.984 1.00 0.00 C ATOM 1214 C GLY A 550 -3.267 9.417 0.393 1.00 0.00 C ATOM 1215 O GLY A 550 -2.287 9.119 1.077 1.00 0.00 O ATOM 0 H GLY A 550 -6.121 10.747 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.002 10.920 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.089 9.564 1.505 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.398 9.057 -0.879 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.375 8.274 -1.560 1.00 0.00 C ATOM 1221 C ILE A 551 -1.224 9.159 -2.025 1.00 0.00 C ATOM 1222 O ILE A 551 -0.116 8.678 -2.266 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.955 7.525 -2.775 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -4.042 6.546 -2.326 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.851 6.793 -3.523 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.442 7.110 -2.428 1.00 0.00 C ATOM 0 H ILE A 551 -4.203 9.295 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 551 -2.002 7.547 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.404 8.252 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.978 5.642 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.851 6.252 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.277 6.269 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -1.109 7.512 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.375 6.073 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.161 6.362 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.523 7.998 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.652 7.377 -3.464 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.493 10.454 -2.149 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.478 11.407 -2.582 1.00 0.00 C ATOM 1240 C ILE A 552 0.277 11.986 -1.390 1.00 0.00 C ATOM 1241 O ILE A 552 1.461 12.306 -1.489 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.099 12.561 -3.392 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.882 12.011 -4.586 1.00 0.00 C ATOM 1244 CG2 ILE A 552 -0.016 13.522 -3.859 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.610 13.078 -5.373 1.00 0.00 C ATOM 0 H ILE A 552 -2.405 10.868 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 552 0.218 10.860 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.790 13.107 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.195 11.486 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.605 11.277 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.470 14.332 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.503 13.934 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.696 12.989 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -3.143 12.617 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.322 13.588 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.890 13.800 -5.760 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.416 12.115 -0.264 1.00 0.00 N ATOM 1258 CA ALA A 553 0.190 12.652 0.949 1.00 0.00 C ATOM 1259 C ALA A 553 1.221 11.685 1.521 1.00 0.00 C ATOM 1260 O ALA A 553 2.280 12.100 1.992 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.882 12.957 1.984 1.00 0.00 C ATOM 0 H ALA A 553 -1.397 11.855 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 553 0.703 13.578 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.415 13.357 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.579 13.691 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.421 12.042 2.231 1.00 0.00 H new ATOM 1267 N CYS A 554 0.903 10.396 1.478 1.00 0.00 N ATOM 1268 CA CYS A 554 1.802 9.369 1.995 1.00 0.00 C ATOM 1269 C CYS A 554 3.217 9.567 1.461 1.00 0.00 C ATOM 1270 O CYS A 554 4.197 9.289 2.153 1.00 0.00 O ATOM 1271 CB CYS A 554 1.292 7.978 1.617 1.00 0.00 C ATOM 1272 SG CYS A 554 1.703 7.473 -0.070 1.00 0.00 S ATOM 0 H CYS A 554 0.030 10.037 1.091 1.00 0.00 H new ATOM 0 HA CYS A 554 1.827 9.456 3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.706 7.249 2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.209 7.955 1.738 1.00 0.00 H new ATOM 0 HG CYS A 554 0.865 8.017 -0.902 1.00 0.00 H new ATOM 1278 N CYS A 555 3.316 10.047 0.226 1.00 0.00 N ATOM 1279 CA CYS A 555 4.612 10.280 -0.402 1.00 0.00 C ATOM 1280 C CYS A 555 5.025 11.742 -0.270 1.00 0.00 C ATOM 1281 O CYS A 555 4.192 12.643 -0.361 1.00 0.00 O ATOM 1282 CB CYS A 555 4.565 9.882 -1.878 1.00 0.00 C ATOM 1283 SG CYS A 555 3.030 10.339 -2.718 1.00 0.00 S ATOM 0 H CYS A 555 2.515 10.282 -0.360 1.00 0.00 H new ATOM 0 HA CYS A 555 5.352 9.665 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.403 10.349 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.703 8.804 -1.957 1.00 0.00 H new ATOM 0 HG CYS A 555 2.490 11.355 -2.113 1.00 0.00 H new ATOM 1289 N ASN A 556 6.316 11.970 -0.055 1.00 0.00 N ATOM 1290 CA ASN A 556 6.840 13.323 0.092 1.00 0.00 C ATOM 1291 C ASN A 556 8.359 13.338 -0.055 1.00 0.00 C ATOM 1292 O ASN A 556 9.097 12.887 0.821 1.00 0.00 O ATOM 1293 CB ASN A 556 6.443 13.901 1.451 1.00 0.00 C ATOM 1294 CG ASN A 556 6.594 12.894 2.575 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.631 12.836 3.236 1.00 0.00 O ATOM 1296 ND2 ASN A 556 5.557 12.094 2.795 1.00 0.00 N ATOM 0 H ASN A 556 7.019 11.235 0.021 1.00 0.00 H new ATOM 0 HA ASN A 556 6.410 13.939 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 556 7.059 14.775 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 556 5.409 14.242 1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 556 5.600 11.396 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 556 4.717 12.178 2.222 1.00 0.00 H new ATOM 1303 N PRO A 557 8.838 13.868 -1.190 1.00 0.00 N ATOM 1304 CA PRO A 557 7.969 14.407 -2.241 1.00 0.00 C ATOM 1305 C PRO A 557 7.190 13.315 -2.965 1.00 0.00 C ATOM 1306 O PRO A 557 7.364 12.128 -2.691 1.00 0.00 O ATOM 1307 CB PRO A 557 8.951 15.088 -3.198 1.00 0.00 C ATOM 1308 CG PRO A 557 10.242 14.376 -2.986 1.00 0.00 C ATOM 1309 CD PRO A 557 10.265 13.982 -1.535 1.00 0.00 C ATOM 0 HA PRO A 557 7.210 15.078 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.618 15.004 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.045 16.152 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.314 13.499 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.087 15.020 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.792 13.040 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.768 14.731 -0.923 1.00 0.00 H new ATOM 1317 N VAL A 558 6.330 13.724 -3.893 1.00 0.00 N ATOM 1318 CA VAL A 558 5.525 12.780 -4.659 1.00 0.00 C ATOM 1319 C VAL A 558 6.164 12.482 -6.010 1.00 0.00 C ATOM 1320 O VAL A 558 6.485 13.384 -6.785 1.00 0.00 O ATOM 1321 CB VAL A 558 4.098 13.314 -4.885 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.235 12.261 -5.564 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.479 13.753 -3.566 1.00 0.00 C ATOM 0 H VAL A 558 6.173 14.703 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 558 5.473 11.861 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 558 4.153 14.182 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.231 12.656 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.671 11.999 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.184 11.372 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.471 14.128 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.435 12.904 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 558 4.087 14.543 -3.124 1.00 0.00 H new ATOM 1333 N PRO A 559 6.354 11.187 -6.302 1.00 0.00 N ATOM 1334 CA PRO A 559 6.956 10.740 -7.562 1.00 0.00 C ATOM 1335 C PRO A 559 6.040 10.976 -8.758 1.00 0.00 C ATOM 1336 O PRO A 559 4.830 11.151 -8.619 1.00 0.00 O ATOM 1337 CB PRO A 559 7.170 9.240 -7.340 1.00 0.00 C ATOM 1338 CG PRO A 559 6.154 8.860 -6.318 1.00 0.00 C ATOM 1339 CD PRO A 559 5.996 10.060 -5.426 1.00 0.00 C ATOM 0 HA PRO A 559 7.871 11.286 -7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.031 8.679 -8.264 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.181 9.032 -6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.207 8.596 -6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.480 7.990 -5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.976 10.151 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.651 10.003 -4.557 1.00 0.00 H new ATOM 1347 N PRO A 560 6.629 10.982 -9.963 1.00 0.00 N ATOM 1348 CA PRO A 560 5.884 11.195 -11.207 1.00 0.00 C ATOM 1349 C PRO A 560 4.976 10.018 -11.548 1.00 0.00 C ATOM 1350 O PRO A 560 4.230 10.059 -12.527 1.00 0.00 O ATOM 1351 CB PRO A 560 6.986 11.342 -12.260 1.00 0.00 C ATOM 1352 CG PRO A 560 8.150 10.604 -11.695 1.00 0.00 C ATOM 1353 CD PRO A 560 8.068 10.780 -10.204 1.00 0.00 C ATOM 0 HA PRO A 560 5.220 12.057 -11.141 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.678 10.922 -13.217 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.229 12.390 -12.435 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.112 9.549 -11.966 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.089 10.999 -12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.445 9.905 -9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.656 11.634 -9.867 1.00 0.00 H new ATOM 1361 N LEU A 561 5.043 8.970 -10.734 1.00 0.00 N ATOM 1362 CA LEU A 561 4.225 7.781 -10.949 1.00 0.00 C ATOM 1363 C LEU A 561 2.943 7.846 -10.126 1.00 0.00 C ATOM 1364 O LEU A 561 1.861 8.091 -10.660 1.00 0.00 O ATOM 1365 CB LEU A 561 5.015 6.523 -10.585 1.00 0.00 C ATOM 1366 CG LEU A 561 6.280 6.264 -11.404 1.00 0.00 C ATOM 1367 CD1 LEU A 561 7.092 5.133 -10.790 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.924 5.943 -12.848 1.00 0.00 C ATOM 0 H LEU A 561 5.655 8.919 -9.920 1.00 0.00 H new ATOM 0 HA LEU A 561 3.955 7.741 -12.004 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.294 6.585 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.356 5.661 -10.690 1.00 0.00 H new ATOM 0 HG LEU A 561 6.888 7.169 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.988 4.963 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.378 5.401 -9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.492 4.223 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.836 5.762 -13.416 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.295 5.054 -12.878 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.385 6.784 -13.285 1.00 0.00 H new ATOM 1380 N VAL A 562 3.071 7.627 -8.821 1.00 0.00 N ATOM 1381 CA VAL A 562 1.923 7.664 -7.923 1.00 0.00 C ATOM 1382 C VAL A 562 0.935 8.748 -8.338 1.00 0.00 C ATOM 1383 O VAL A 562 -0.279 8.558 -8.261 1.00 0.00 O ATOM 1384 CB VAL A 562 2.358 7.911 -6.466 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.143 8.099 -5.571 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.226 6.766 -5.968 1.00 0.00 C ATOM 0 H VAL A 562 3.959 7.422 -8.362 1.00 0.00 H new ATOM 0 HA VAL A 562 1.438 6.690 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 562 2.950 8.826 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.470 8.272 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.565 8.956 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.522 7.204 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.524 6.957 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.662 5.834 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.115 6.684 -6.594 1.00 0.00 H new ATOM 1396 N ARG A 563 1.464 9.885 -8.779 1.00 0.00 N ATOM 1397 CA ARG A 563 0.628 11.001 -9.206 1.00 0.00 C ATOM 1398 C ARG A 563 0.012 10.726 -10.574 1.00 0.00 C ATOM 1399 O ARG A 563 -1.164 11.008 -10.804 1.00 0.00 O ATOM 1400 CB ARG A 563 1.449 12.291 -9.255 1.00 0.00 C ATOM 1401 CG ARG A 563 0.602 13.553 -9.246 1.00 0.00 C ATOM 1402 CD ARG A 563 0.248 13.976 -7.829 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.355 15.306 -7.790 1.00 0.00 N ATOM 1404 CZ ARG A 563 -1.588 15.566 -8.209 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -2.346 14.593 -8.697 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -2.067 16.802 -8.141 1.00 0.00 N ATOM 0 H ARG A 563 2.467 10.058 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.177 11.118 -8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.127 12.313 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.067 12.285 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.142 14.359 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.312 13.383 -9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.442 13.252 -7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 563 1.147 13.967 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 563 0.201 16.077 -7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -1.982 13.642 -8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -3.293 14.796 -9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -1.488 17.554 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -3.014 17.000 -8.463 1.00 0.00 H new ATOM 1420 N GLN A 564 0.814 10.174 -11.479 1.00 0.00 N ATOM 1421 CA GLN A 564 0.347 9.862 -12.825 1.00 0.00 C ATOM 1422 C GLN A 564 -0.732 8.785 -12.790 1.00 0.00 C ATOM 1423 O GLN A 564 -1.803 8.947 -13.376 1.00 0.00 O ATOM 1424 CB GLN A 564 1.515 9.403 -13.699 1.00 0.00 C ATOM 1425 CG GLN A 564 1.109 9.055 -15.122 1.00 0.00 C ATOM 1426 CD GLN A 564 2.295 8.977 -16.064 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.893 9.995 -16.414 1.00 0.00 O ATOM 1428 NE2 GLN A 564 2.641 7.764 -16.481 1.00 0.00 N ATOM 0 H GLN A 564 1.790 9.934 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.083 10.768 -13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.268 10.190 -13.727 1.00 0.00 H new ATOM 0 HB3 GLN A 564 1.981 8.532 -13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.585 8.099 -15.123 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.407 9.804 -15.489 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.117 6.948 -16.165 1.00 0.00 H new ATOM 0 HE22 GLN A 564 3.430 7.649 -17.117 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.442 7.685 -12.102 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.388 6.581 -11.993 1.00 0.00 C ATOM 1439 C GLN A 565 -2.159 6.652 -10.678 1.00 0.00 C ATOM 1440 O GLN A 565 -2.684 5.646 -10.200 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.656 5.242 -12.096 1.00 0.00 C ATOM 1442 CG GLN A 565 0.222 5.123 -13.331 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.581 4.932 -14.602 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -0.988 5.900 -15.246 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.815 3.678 -14.972 1.00 0.00 N ATOM 0 H GLN A 565 0.440 7.535 -11.612 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.099 6.663 -12.815 1.00 0.00 H new ATOM 0 HB2 GLN A 565 -0.040 5.105 -11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.390 4.436 -12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.835 6.020 -13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 565 0.904 4.282 -13.207 1.00 0.00 H new ATOM 0 HE21 GLN A 565 -0.459 2.905 -14.409 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -1.350 3.488 -15.819 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.223 7.847 -10.100 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.930 8.048 -8.841 1.00 0.00 C ATOM 1456 C ILE A 566 -4.346 7.487 -8.910 1.00 0.00 C ATOM 1457 O ILE A 566 -4.833 6.885 -7.954 1.00 0.00 O ATOM 1458 CB ILE A 566 -2.999 9.541 -8.467 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.616 9.713 -7.078 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.799 10.311 -9.507 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -2.976 8.841 -6.020 1.00 0.00 C ATOM 0 H ILE A 566 -1.794 8.690 -10.483 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.368 7.515 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.986 9.942 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.529 10.757 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.680 9.484 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.839 11.364 -9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.321 10.211 -10.481 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.811 9.910 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.464 9.015 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.086 7.793 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.917 9.086 -5.938 1.00 0.00 H new ATOM 1473 N ASN A 567 -5.001 7.687 -10.049 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.362 7.199 -10.244 1.00 0.00 C ATOM 1475 C ASN A 567 -6.448 5.702 -9.965 1.00 0.00 C ATOM 1476 O ASN A 567 -7.273 5.256 -9.169 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.831 7.491 -11.671 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.627 8.942 -12.061 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -7.047 9.853 -11.347 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -5.979 9.164 -13.199 1.00 0.00 N ATOM 0 H ASN A 567 -4.612 8.183 -10.851 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.012 7.720 -9.541 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.289 6.851 -12.367 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.887 7.238 -11.762 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -5.812 10.120 -13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -5.648 8.378 -13.759 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.589 4.931 -10.626 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.570 3.484 -10.449 1.00 0.00 C ATOM 1489 C GLU A 568 -5.360 3.119 -8.982 1.00 0.00 C ATOM 1490 O GLU A 568 -6.143 2.369 -8.400 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.466 2.858 -11.305 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.331 1.356 -11.120 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.508 0.590 -11.691 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.661 0.961 -11.390 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.274 -0.382 -12.441 1.00 0.00 O ATOM 0 H GLU A 568 -4.898 5.284 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.535 3.091 -10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.668 3.070 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.516 3.333 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.413 1.016 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.237 1.132 -10.058 1.00 0.00 H new ATOM 1502 N MET A 569 -4.296 3.654 -8.391 1.00 0.00 N ATOM 1503 CA MET A 569 -3.983 3.385 -6.993 1.00 0.00 C ATOM 1504 C MET A 569 -5.200 3.629 -6.106 1.00 0.00 C ATOM 1505 O MET A 569 -5.580 2.772 -5.307 1.00 0.00 O ATOM 1506 CB MET A 569 -2.817 4.261 -6.531 1.00 0.00 C ATOM 1507 CG MET A 569 -1.581 4.139 -7.407 1.00 0.00 C ATOM 1508 SD MET A 569 -0.111 4.842 -6.635 1.00 0.00 S ATOM 1509 CE MET A 569 0.200 3.642 -5.342 1.00 0.00 C ATOM 0 H MET A 569 -3.637 4.276 -8.859 1.00 0.00 H new ATOM 0 HA MET A 569 -3.697 2.337 -6.907 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.140 5.302 -6.515 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.555 3.993 -5.508 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.401 3.087 -7.631 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.763 4.641 -8.357 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.268 3.610 -5.124 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.346 3.927 -4.442 1.00 0.00 H new ATOM 0 HE3 MET A 569 -0.132 2.658 -5.672 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.808 4.802 -6.253 1.00 0.00 N ATOM 1520 CA HIS A 570 -6.983 5.158 -5.466 1.00 0.00 C ATOM 1521 C HIS A 570 -8.033 4.053 -5.527 1.00 0.00 C ATOM 1522 O HIS A 570 -8.512 3.579 -4.496 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.580 6.473 -5.967 1.00 0.00 C ATOM 1524 CG HIS A 570 -8.973 6.723 -5.479 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -9.878 7.513 -6.156 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.616 6.281 -4.373 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.017 7.547 -5.488 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -10.884 6.807 -4.401 1.00 0.00 N ATOM 0 H HIS A 570 -5.506 5.522 -6.910 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.671 5.282 -4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -6.940 7.297 -5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.581 6.470 -7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.208 5.635 -3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -11.905 8.087 -5.780 1.00 0.00 H new ATOM 0 HE2 HIS A 570 -11.606 6.652 -3.697 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.388 3.647 -6.741 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.382 2.598 -6.938 1.00 0.00 C ATOM 1538 C LEU A 571 -9.073 1.385 -6.067 1.00 0.00 C ATOM 1539 O LEU A 571 -9.927 0.913 -5.314 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.433 2.184 -8.409 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.997 3.223 -9.380 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.735 2.807 -10.819 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.487 3.420 -9.143 1.00 0.00 C ATOM 0 H LEU A 571 -8.002 4.029 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.354 2.995 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.423 1.928 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -10.033 1.277 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.492 4.172 -9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -10.143 3.558 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.661 2.718 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.213 1.847 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.872 4.162 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -12.008 2.474 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.651 3.764 -8.122 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.847 0.884 -6.172 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.423 -0.274 -5.393 1.00 0.00 C ATOM 1557 C LEU A 572 -7.754 -0.086 -3.916 1.00 0.00 C ATOM 1558 O LEU A 572 -8.356 -0.958 -3.289 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.922 -0.507 -5.565 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.407 -0.529 -7.005 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.891 -0.649 -7.028 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -6.046 -1.670 -7.783 1.00 0.00 C ATOM 0 H LEU A 572 -7.129 1.262 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.964 -1.146 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.389 0.273 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.666 -1.456 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.684 0.410 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.543 -0.663 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.451 0.202 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.592 -1.572 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.668 -1.670 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.801 -2.618 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -7.128 -1.540 -7.797 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.358 1.058 -3.367 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.616 1.361 -1.964 1.00 0.00 C ATOM 1576 C ILE A 573 -9.089 1.169 -1.622 1.00 0.00 C ATOM 1577 O ILE A 573 -9.426 0.560 -0.607 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.202 2.803 -1.615 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.693 2.981 -1.793 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.617 3.142 -0.191 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -4.876 1.866 -1.179 1.00 0.00 C ATOM 0 H ILE A 573 -6.858 1.790 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.016 0.667 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 573 -7.711 3.487 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.466 3.043 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.392 3.929 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.318 4.164 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.699 3.050 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.132 2.455 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.816 2.059 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.074 1.817 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.149 0.918 -1.642 1.00 0.00 H new ATOM 1593 N GLN A 574 -9.963 1.692 -2.477 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.401 1.577 -2.265 1.00 0.00 C ATOM 1595 C GLN A 574 -11.852 0.124 -2.371 1.00 0.00 C ATOM 1596 O GLN A 574 -12.750 -0.310 -1.650 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.157 2.434 -3.282 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.595 3.838 -3.432 1.00 0.00 C ATOM 1599 CD GLN A 574 -11.449 4.554 -2.104 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.242 5.435 -1.770 1.00 0.00 O ATOM 1601 NE2 GLN A 574 -10.431 4.180 -1.338 1.00 0.00 N ATOM 0 H GLN A 574 -9.700 2.199 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.625 1.935 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.134 1.937 -4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.203 2.500 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.622 3.785 -3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.248 4.419 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -9.798 3.445 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -10.282 4.627 -0.433 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.223 -0.621 -3.273 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.562 -2.026 -3.473 1.00 0.00 C ATOM 1612 C GLN A 575 -11.159 -2.860 -2.262 1.00 0.00 C ATOM 1613 O GLN A 575 -11.693 -3.946 -2.039 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.875 -2.564 -4.730 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.439 -1.995 -6.022 1.00 0.00 C ATOM 1616 CD GLN A 575 -11.333 -2.965 -7.182 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -12.213 -3.801 -7.390 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -10.251 -2.859 -7.945 1.00 0.00 N ATOM 0 H GLN A 575 -10.477 -0.277 -3.877 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.642 -2.099 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.810 -2.337 -4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.969 -3.650 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.485 -1.728 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.909 -1.076 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.547 -2.151 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -10.124 -3.485 -8.740 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.213 -2.346 -1.483 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.740 -3.044 -0.294 1.00 0.00 C ATOM 1629 C ALA A 576 -10.523 -2.615 0.942 1.00 0.00 C ATOM 1630 O ALA A 576 -10.852 -3.439 1.796 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.253 -2.793 -0.092 1.00 0.00 C ATOM 0 H ALA A 576 -9.759 -1.449 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 576 -9.901 -4.112 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -7.913 -3.320 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.702 -3.155 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.078 -1.724 0.029 1.00 0.00 H new ATOM 1637 N ARG A 577 -10.819 -1.323 1.031 1.00 0.00 N ATOM 1638 CA ARG A 577 -11.563 -0.785 2.164 1.00 0.00 C ATOM 1639 C ARG A 577 -13.054 -1.078 2.024 1.00 0.00 C ATOM 1640 O ARG A 577 -13.741 -1.333 3.012 1.00 0.00 O ATOM 1641 CB ARG A 577 -11.337 0.723 2.280 1.00 0.00 C ATOM 1642 CG ARG A 577 -12.346 1.552 1.502 1.00 0.00 C ATOM 1643 CD ARG A 577 -12.037 3.038 1.594 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.726 3.672 2.715 1.00 0.00 N ATOM 1645 CZ ARG A 577 -12.242 3.705 3.951 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -11.072 3.143 4.224 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -12.928 4.302 4.918 1.00 0.00 N ATOM 0 H ARG A 577 -10.555 -0.629 0.332 1.00 0.00 H new ATOM 0 HA ARG A 577 -11.199 -1.271 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -11.379 1.008 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -10.334 0.960 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -12.343 1.243 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -13.348 1.363 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.962 3.179 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -12.330 3.527 0.665 1.00 0.00 H new ATOM 0 HE ARG A 577 -13.628 4.114 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -10.542 2.684 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -10.703 3.170 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.828 4.736 4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -12.555 4.327 5.867 1.00 0.00 H new ATOM 1661 N GLU A 578 -13.546 -1.039 0.789 1.00 0.00 N ATOM 1662 CA GLU A 578 -14.955 -1.299 0.521 1.00 0.00 C ATOM 1663 C GLU A 578 -15.438 -2.526 1.289 1.00 0.00 C ATOM 1664 O GLU A 578 -16.458 -2.480 1.975 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.184 -1.500 -0.978 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.596 -0.231 -1.706 1.00 0.00 C ATOM 1667 CD GLU A 578 -15.935 -0.479 -3.164 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -16.587 -1.503 -3.454 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -15.547 0.351 -4.013 1.00 0.00 O ATOM 0 H GLU A 578 -12.990 -0.830 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 578 -15.527 -0.434 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.270 -1.887 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -15.955 -2.257 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -16.460 0.207 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -14.788 0.498 -1.644 1.00 0.00 H new ATOM 1676 N MET A 579 -14.697 -3.623 1.167 1.00 0.00 N ATOM 1677 CA MET A 579 -15.048 -4.862 1.850 1.00 0.00 C ATOM 1678 C MET A 579 -14.800 -4.746 3.350 1.00 0.00 C ATOM 1679 O MET A 579 -13.819 -4.151 3.797 1.00 0.00 O ATOM 1680 CB MET A 579 -14.244 -6.031 1.277 1.00 0.00 C ATOM 1681 CG MET A 579 -12.741 -5.869 1.435 1.00 0.00 C ATOM 1682 SD MET A 579 -12.145 -6.445 3.036 1.00 0.00 S ATOM 1683 CE MET A 579 -12.922 -8.056 3.128 1.00 0.00 C ATOM 0 H MET A 579 -13.850 -3.679 0.601 1.00 0.00 H new ATOM 0 HA MET A 579 -16.110 -5.047 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.556 -6.952 1.770 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.480 -6.140 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.235 -6.421 0.643 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.478 -4.819 1.310 1.00 0.00 H new ATOM 0 HE1 MET A 579 -12.373 -8.686 3.828 1.00 0.00 H new ATOM 0 HE2 MET A 579 -13.951 -7.945 3.471 1.00 0.00 H new ATOM 0 HE3 MET A 579 -12.916 -8.520 2.142 1.00 0.00 H new