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= -1.49 X(o=-6.9,f=-6.7) USER MOD Set 1.2: A 574 GLN : amide:sc= -5.41 K(o=-6.9,f=-14!) USER MOD Set 2.1: A 535 HIS : no HD1:sc= -5.76! C(o=-14!,f=-12!) USER MOD Set 2.2: A 536 MET CE :methyl -117:sc= -3.63! (180deg=-2.64!) USER MOD Set 2.3: A 554 CYS SG : rot -45:sc= -4 USER MOD Set 2.4: A 555 CYS SG : rot 3:sc= -0.662! USER MOD Set 3.1: A 519 LYS NZ :NH3+ -142:sc= -0.519 (180deg=-3.07!) USER MOD Set 3.2: A 520 THR OG1 : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 34:sc= 0.074 USER MOD Single : A 505 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.94) USER MOD Single : A 506 GLN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 508 THR OG1 : rot 73:sc= 0.829 USER MOD Single : A 511 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 TYR OH : rot 180:sc= -0.0963 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 537 MET CE :methyl -107:sc=-0.00201 (180deg=-1.82!) USER MOD Single : A 539 LYS NZ :NH3+ 139:sc= -1.18 (180deg=-3.41!) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 556 ASN : amide:sc= -0.952 K(o=-0.95,f=-5.5!) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 565 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 ASN : amide:sc= 0.712 K(o=0.71,f=-3.1!) USER MOD Single : A 569 MET CE :methyl 159:sc= -0.0182 (180deg=-0.789) USER MOD Single : A 575 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 579 MET CE :methyl -165:sc=-0.00506 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.839 -7.454 7.750 1.00 0.00 N ATOM 446 CA THR A 504 -8.325 -7.911 6.454 1.00 0.00 C ATOM 447 C THR A 504 -8.154 -6.832 5.391 1.00 0.00 C ATOM 448 O THR A 504 -7.419 -7.016 4.421 1.00 0.00 O ATOM 449 CB THR A 504 -9.809 -8.318 6.522 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.988 -9.361 7.486 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.305 -8.787 5.162 1.00 0.00 C ATOM 0 HA THR A 504 -7.729 -8.782 6.183 1.00 0.00 H new ATOM 0 HB THR A 504 -10.388 -7.445 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.357 -9.235 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.355 -9.069 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.196 -7.981 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.720 -9.648 4.838 1.00 0.00 H new ATOM 459 N GLN A 505 -8.837 -5.708 5.580 1.00 0.00 N ATOM 460 CA GLN A 505 -8.759 -4.600 4.636 1.00 0.00 C ATOM 461 C GLN A 505 -7.312 -4.170 4.418 1.00 0.00 C ATOM 462 O GLN A 505 -6.882 -3.958 3.285 1.00 0.00 O ATOM 463 CB GLN A 505 -9.585 -3.414 5.139 1.00 0.00 C ATOM 464 CG GLN A 505 -11.077 -3.561 4.886 1.00 0.00 C ATOM 465 CD GLN A 505 -11.886 -2.430 5.490 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.464 -1.799 6.460 1.00 0.00 O ATOM 467 NE2 GLN A 505 -13.055 -2.168 4.919 1.00 0.00 N ATOM 0 H GLN A 505 -9.450 -5.541 6.378 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.165 -4.939 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.417 -3.292 6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.231 -2.504 4.655 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.257 -3.598 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.420 -4.509 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.365 -2.716 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.643 -1.418 5.282 1.00 0.00 H new ATOM 476 N GLN A 506 -6.567 -4.044 5.511 1.00 0.00 N ATOM 477 CA GLN A 506 -5.168 -3.638 5.439 1.00 0.00 C ATOM 478 C GLN A 506 -4.394 -4.524 4.468 1.00 0.00 C ATOM 479 O GLN A 506 -3.674 -4.030 3.599 1.00 0.00 O ATOM 480 CB GLN A 506 -4.525 -3.698 6.826 1.00 0.00 C ATOM 481 CG GLN A 506 -4.893 -2.523 7.718 1.00 0.00 C ATOM 482 CD GLN A 506 -4.011 -2.425 8.947 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.801 -3.411 9.655 1.00 0.00 O ATOM 484 NE2 GLN A 506 -3.488 -1.233 9.208 1.00 0.00 N ATOM 0 H GLN A 506 -6.908 -4.217 6.457 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.132 -2.612 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.825 -4.624 7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.441 -3.733 6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.816 -1.599 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.933 -2.619 8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -3.688 -0.443 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -2.886 -1.107 10.022 1.00 0.00 H new ATOM 493 N LEU A 507 -4.546 -5.835 4.622 1.00 0.00 N ATOM 494 CA LEU A 507 -3.861 -6.790 3.759 1.00 0.00 C ATOM 495 C LEU A 507 -4.403 -6.724 2.334 1.00 0.00 C ATOM 496 O LEU A 507 -3.640 -6.654 1.370 1.00 0.00 O ATOM 497 CB LEU A 507 -4.017 -8.209 4.310 1.00 0.00 C ATOM 498 CG LEU A 507 -3.122 -8.570 5.496 1.00 0.00 C ATOM 499 CD1 LEU A 507 -3.619 -9.837 6.174 1.00 0.00 C ATOM 500 CD2 LEU A 507 -1.678 -8.735 5.044 1.00 0.00 C ATOM 0 H LEU A 507 -5.137 -6.260 5.336 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.803 -6.528 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.056 -8.349 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -3.819 -8.915 3.503 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.164 -7.756 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -2.970 -10.078 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -4.636 -9.682 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -3.608 -10.660 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.056 -8.992 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -1.618 -9.530 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.325 -7.801 4.606 1.00 0.00 H new ATOM 512 N THR A 508 -5.726 -6.744 2.209 1.00 0.00 N ATOM 513 CA THR A 508 -6.371 -6.685 0.903 1.00 0.00 C ATOM 514 C THR A 508 -5.799 -5.553 0.058 1.00 0.00 C ATOM 515 O THR A 508 -5.373 -5.767 -1.077 1.00 0.00 O ATOM 516 CB THR A 508 -7.893 -6.491 1.037 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.456 -7.554 1.814 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.556 -6.452 -0.332 1.00 0.00 C ATOM 0 H THR A 508 -6.372 -6.801 2.996 1.00 0.00 H new ATOM 0 HA THR A 508 -6.175 -7.637 0.410 1.00 0.00 H new ATOM 0 HB THR A 508 -8.073 -5.540 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 508 -8.214 -7.435 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.631 -6.314 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.146 -5.624 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.367 -7.389 -0.855 1.00 0.00 H new ATOM 526 N ALA A 509 -5.790 -4.348 0.618 1.00 0.00 N ATOM 527 CA ALA A 509 -5.267 -3.183 -0.084 1.00 0.00 C ATOM 528 C ALA A 509 -3.794 -3.368 -0.432 1.00 0.00 C ATOM 529 O ALA A 509 -3.376 -3.117 -1.563 1.00 0.00 O ATOM 530 CB ALA A 509 -5.459 -1.930 0.757 1.00 0.00 C ATOM 0 H ALA A 509 -6.139 -4.153 1.556 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.822 -3.071 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -5.064 -1.068 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.521 -1.781 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.930 -2.042 1.703 1.00 0.00 H new ATOM 536 N PHE A 510 -3.010 -3.807 0.547 1.00 0.00 N ATOM 537 CA PHE A 510 -1.582 -4.023 0.344 1.00 0.00 C ATOM 538 C PHE A 510 -1.333 -4.898 -0.881 1.00 0.00 C ATOM 539 O PHE A 510 -0.445 -4.619 -1.685 1.00 0.00 O ATOM 540 CB PHE A 510 -0.962 -4.673 1.584 1.00 0.00 C ATOM 541 CG PHE A 510 0.436 -5.174 1.362 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.516 -4.308 1.435 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.671 -6.510 1.080 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.804 -4.767 1.230 1.00 0.00 C ATOM 545 CE2 PHE A 510 1.957 -6.974 0.875 1.00 0.00 C ATOM 546 CZ PHE A 510 3.025 -6.102 0.951 1.00 0.00 C ATOM 0 H PHE A 510 -3.339 -4.020 1.489 1.00 0.00 H new ATOM 0 HA PHE A 510 -1.113 -3.053 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -0.955 -3.949 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.591 -5.504 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 510 1.350 -3.264 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 510 -0.160 -7.197 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.637 -4.082 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.126 -8.018 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.031 -6.463 0.793 1.00 0.00 H new ATOM 556 N GLN A 511 -2.124 -5.958 -1.014 1.00 0.00 N ATOM 557 CA GLN A 511 -1.988 -6.875 -2.139 1.00 0.00 C ATOM 558 C GLN A 511 -2.247 -6.158 -3.460 1.00 0.00 C ATOM 559 O GLN A 511 -1.413 -6.185 -4.367 1.00 0.00 O ATOM 560 CB GLN A 511 -2.955 -8.051 -1.986 1.00 0.00 C ATOM 561 CG GLN A 511 -3.019 -8.950 -3.210 1.00 0.00 C ATOM 562 CD GLN A 511 -3.723 -10.263 -2.934 1.00 0.00 C ATOM 563 OE1 GLN A 511 -4.818 -10.287 -2.371 1.00 0.00 O ATOM 564 NE2 GLN A 511 -3.097 -11.366 -3.329 1.00 0.00 N ATOM 0 H GLN A 511 -2.865 -6.203 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.966 -7.253 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -2.656 -8.647 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -3.953 -7.665 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -3.537 -8.427 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -2.007 -9.152 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.191 -11.300 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -3.523 -12.279 -3.169 1.00 0.00 H new ATOM 573 N LEU A 512 -3.406 -5.516 -3.562 1.00 0.00 N ATOM 574 CA LEU A 512 -3.774 -4.791 -4.773 1.00 0.00 C ATOM 575 C LEU A 512 -2.610 -3.944 -5.276 1.00 0.00 C ATOM 576 O LEU A 512 -2.216 -4.040 -6.440 1.00 0.00 O ATOM 577 CB LEU A 512 -4.990 -3.901 -4.507 1.00 0.00 C ATOM 578 CG LEU A 512 -6.338 -4.616 -4.414 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.397 -3.686 -3.844 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.761 -5.135 -5.781 1.00 0.00 C ATOM 0 H LEU A 512 -4.106 -5.483 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 512 -4.026 -5.521 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.823 -3.361 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.050 -3.156 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.231 -5.467 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.350 -4.212 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.099 -3.363 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.503 -2.815 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.723 -5.641 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.850 -4.300 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -6.013 -5.836 -6.151 1.00 0.00 H new ATOM 592 N LEU A 513 -2.061 -3.118 -4.393 1.00 0.00 N ATOM 593 CA LEU A 513 -0.939 -2.255 -4.747 1.00 0.00 C ATOM 594 C LEU A 513 0.240 -3.077 -5.258 1.00 0.00 C ATOM 595 O LEU A 513 0.770 -2.817 -6.339 1.00 0.00 O ATOM 596 CB LEU A 513 -0.509 -1.423 -3.538 1.00 0.00 C ATOM 597 CG LEU A 513 -1.455 -0.293 -3.130 1.00 0.00 C ATOM 598 CD1 LEU A 513 -1.186 0.136 -1.696 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.314 0.889 -4.078 1.00 0.00 C ATOM 0 H LEU A 513 -2.374 -3.027 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.264 -1.586 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.386 -2.092 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.470 -0.992 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.479 -0.662 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.868 0.941 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -1.339 -0.712 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -0.158 0.487 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -1.995 1.684 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.289 1.258 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.557 0.573 -5.092 1.00 0.00 H new ATOM 611 N PHE A 514 0.644 -4.072 -4.476 1.00 0.00 N ATOM 612 CA PHE A 514 1.759 -4.934 -4.850 1.00 0.00 C ATOM 613 C PHE A 514 1.691 -5.301 -6.329 1.00 0.00 C ATOM 614 O PHE A 514 2.655 -5.113 -7.072 1.00 0.00 O ATOM 615 CB PHE A 514 1.758 -6.205 -3.997 1.00 0.00 C ATOM 616 CG PHE A 514 3.016 -7.014 -4.126 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.259 -6.411 -4.012 1.00 0.00 C ATOM 618 CD2 PHE A 514 2.957 -8.379 -4.361 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.418 -7.154 -4.131 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.113 -9.127 -4.480 1.00 0.00 C ATOM 621 CZ PHE A 514 5.345 -8.514 -4.364 1.00 0.00 C ATOM 0 H PHE A 514 0.216 -4.302 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 514 2.684 -4.386 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.617 -5.931 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.907 -6.824 -4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.322 -5.349 -3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 514 1.996 -8.864 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.380 -6.672 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.053 -10.190 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.250 -9.097 -4.455 1.00 0.00 H new ATOM 631 N ALA A 515 0.545 -5.825 -6.751 1.00 0.00 N ATOM 632 CA ALA A 515 0.350 -6.217 -8.141 1.00 0.00 C ATOM 633 C ALA A 515 0.470 -5.016 -9.072 1.00 0.00 C ATOM 634 O ALA A 515 1.138 -5.083 -10.104 1.00 0.00 O ATOM 635 CB ALA A 515 -1.005 -6.888 -8.315 1.00 0.00 C ATOM 0 H ALA A 515 -0.263 -5.988 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 515 1.133 -6.928 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.137 -7.176 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.055 -7.776 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.794 -6.194 -8.027 1.00 0.00 H new ATOM 641 N TRP A 516 -0.180 -3.919 -8.702 1.00 0.00 N ATOM 642 CA TRP A 516 -0.146 -2.702 -9.505 1.00 0.00 C ATOM 643 C TRP A 516 1.289 -2.302 -9.826 1.00 0.00 C ATOM 644 O TRP A 516 1.651 -2.131 -10.991 1.00 0.00 O ATOM 645 CB TRP A 516 -0.855 -1.562 -8.772 1.00 0.00 C ATOM 646 CG TRP A 516 -0.544 -0.209 -9.336 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.163 0.403 -10.389 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.464 0.699 -8.879 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.601 1.636 -10.613 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.399 1.842 -9.700 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.414 0.658 -7.855 1.00 0.00 C ATOM 652 CZ2 TRP A 516 1.249 2.931 -9.527 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.257 1.740 -7.685 1.00 0.00 C ATOM 654 CH2 TRP A 516 2.169 2.865 -8.517 1.00 0.00 C ATOM 0 H TRP A 516 -0.737 -3.847 -7.851 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.666 -2.900 -10.442 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -1.932 -1.727 -8.814 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.570 -1.583 -7.720 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -1.975 -0.021 -10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -0.883 2.292 -11.341 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.488 -0.204 -7.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 1.184 3.798 -10.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.996 1.718 -6.898 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.841 3.696 -8.357 1.00 0.00 H new ATOM 665 N ARG A 517 2.104 -2.153 -8.786 1.00 0.00 N ATOM 666 CA ARG A 517 3.501 -1.771 -8.958 1.00 0.00 C ATOM 667 C ARG A 517 4.222 -2.750 -9.880 1.00 0.00 C ATOM 668 O ARG A 517 4.960 -2.344 -10.778 1.00 0.00 O ATOM 669 CB ARG A 517 4.207 -1.716 -7.603 1.00 0.00 C ATOM 670 CG ARG A 517 5.631 -1.189 -7.679 1.00 0.00 C ATOM 671 CD ARG A 517 6.372 -1.397 -6.368 1.00 0.00 C ATOM 672 NE ARG A 517 6.706 -2.801 -6.145 1.00 0.00 N ATOM 673 CZ ARG A 517 7.699 -3.205 -5.360 1.00 0.00 C ATOM 674 NH1 ARG A 517 8.452 -2.316 -4.728 1.00 0.00 N ATOM 675 NH2 ARG A 517 7.940 -4.501 -5.207 1.00 0.00 N ATOM 0 H ARG A 517 1.821 -2.291 -7.816 1.00 0.00 H new ATOM 0 HA ARG A 517 3.528 -0.781 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.630 -1.084 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.221 -2.716 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.165 -1.694 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.615 -0.127 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 517 7.286 -0.803 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.758 -1.035 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 517 6.146 -3.511 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 517 8.270 -1.319 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 517 9.214 -2.629 -4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 517 7.363 -5.188 -5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 517 8.703 -4.810 -4.604 1.00 0.00 H new ATOM 689 N ASP A 518 4.004 -4.041 -9.652 1.00 0.00 N ATOM 690 CA ASP A 518 4.632 -5.078 -10.461 1.00 0.00 C ATOM 691 C ASP A 518 4.305 -4.886 -11.939 1.00 0.00 C ATOM 692 O ASP A 518 5.178 -4.997 -12.799 1.00 0.00 O ATOM 693 CB ASP A 518 4.175 -6.462 -10.000 1.00 0.00 C ATOM 694 CG ASP A 518 4.411 -7.530 -11.050 1.00 0.00 C ATOM 695 OD1 ASP A 518 3.646 -7.572 -12.037 1.00 0.00 O ATOM 696 OD2 ASP A 518 5.361 -8.323 -10.886 1.00 0.00 O ATOM 0 H ASP A 518 3.396 -4.394 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 518 5.712 -5.000 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.706 -6.731 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.114 -6.427 -9.753 1.00 0.00 H new ATOM 701 N LYS A 519 3.040 -4.600 -12.227 1.00 0.00 N ATOM 702 CA LYS A 519 2.595 -4.393 -13.600 1.00 0.00 C ATOM 703 C LYS A 519 3.240 -3.147 -14.199 1.00 0.00 C ATOM 704 O LYS A 519 3.982 -3.228 -15.178 1.00 0.00 O ATOM 705 CB LYS A 519 1.071 -4.266 -13.651 1.00 0.00 C ATOM 706 CG LYS A 519 0.541 -3.834 -15.007 1.00 0.00 C ATOM 707 CD LYS A 519 -0.745 -3.035 -14.875 1.00 0.00 C ATOM 708 CE LYS A 519 -0.491 -1.670 -14.252 1.00 0.00 C ATOM 709 NZ LYS A 519 -0.618 -1.705 -12.769 1.00 0.00 N ATOM 0 H LYS A 519 2.304 -4.506 -11.527 1.00 0.00 H new ATOM 0 HA LYS A 519 2.901 -5.258 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.626 -5.225 -13.385 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.750 -3.546 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 519 1.293 -3.233 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS A 519 0.362 -4.713 -15.626 1.00 0.00 H new ATOM 0 HD2 LYS A 519 -1.199 -2.909 -15.858 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -1.458 -3.589 -14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 519 0.508 -1.327 -14.523 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -1.198 -0.947 -14.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -1.070 -0.828 -12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -1.199 -2.521 -12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 0.326 -1.790 -12.342 1.00 0.00 H new ATOM 723 N THR A 520 2.953 -1.993 -13.603 1.00 0.00 N ATOM 724 CA THR A 520 3.505 -0.730 -14.077 1.00 0.00 C ATOM 725 C THR A 520 5.018 -0.817 -14.238 1.00 0.00 C ATOM 726 O THR A 520 5.577 -0.324 -15.217 1.00 0.00 O ATOM 727 CB THR A 520 3.167 0.426 -13.117 1.00 0.00 C ATOM 728 OG1 THR A 520 1.750 0.508 -12.928 1.00 0.00 O ATOM 729 CG2 THR A 520 3.690 1.748 -13.657 1.00 0.00 C ATOM 0 H THR A 520 2.341 -1.908 -12.791 1.00 0.00 H new ATOM 0 HA THR A 520 3.051 -0.531 -15.048 1.00 0.00 H new ATOM 0 HB THR A 520 3.649 0.227 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.544 1.244 -12.315 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.439 2.550 -12.962 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.773 1.692 -13.771 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.233 1.952 -14.626 1.00 0.00 H new ATOM 737 N ALA A 521 5.676 -1.448 -13.270 1.00 0.00 N ATOM 738 CA ALA A 521 7.125 -1.602 -13.306 1.00 0.00 C ATOM 739 C ALA A 521 7.596 -2.041 -14.688 1.00 0.00 C ATOM 740 O ALA A 521 8.610 -1.557 -15.192 1.00 0.00 O ATOM 741 CB ALA A 521 7.576 -2.600 -12.250 1.00 0.00 C ATOM 0 H ALA A 521 5.228 -1.861 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 521 7.574 -0.633 -13.089 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.660 -2.705 -12.288 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.281 -2.244 -11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.111 -3.567 -12.441 1.00 0.00 H new ATOM 747 N ARG A 522 6.855 -2.962 -15.296 1.00 0.00 N ATOM 748 CA ARG A 522 7.198 -3.468 -16.619 1.00 0.00 C ATOM 749 C ARG A 522 6.908 -2.423 -17.693 1.00 0.00 C ATOM 750 O ARG A 522 7.748 -2.151 -18.551 1.00 0.00 O ATOM 751 CB ARG A 522 6.419 -4.750 -16.917 1.00 0.00 C ATOM 752 CG ARG A 522 7.097 -6.009 -16.400 1.00 0.00 C ATOM 753 CD ARG A 522 6.972 -6.129 -14.889 1.00 0.00 C ATOM 754 NE ARG A 522 7.523 -7.387 -14.392 1.00 0.00 N ATOM 755 CZ ARG A 522 8.825 -7.627 -14.283 1.00 0.00 C ATOM 756 NH1 ARG A 522 9.705 -6.699 -14.633 1.00 0.00 N ATOM 757 NH2 ARG A 522 9.249 -8.797 -13.822 1.00 0.00 N ATOM 0 H ARG A 522 6.013 -3.373 -14.893 1.00 0.00 H new ATOM 0 HA ARG A 522 8.265 -3.689 -16.630 1.00 0.00 H new ATOM 0 HB2 ARG A 522 5.426 -4.674 -16.473 1.00 0.00 H new ATOM 0 HB3 ARG A 522 6.280 -4.839 -17.994 1.00 0.00 H new ATOM 0 HG2 ARG A 522 6.652 -6.884 -16.874 1.00 0.00 H new ATOM 0 HG3 ARG A 522 8.151 -5.997 -16.679 1.00 0.00 H new ATOM 0 HD2 ARG A 522 7.489 -5.295 -14.415 1.00 0.00 H new ATOM 0 HD3 ARG A 522 5.922 -6.056 -14.605 1.00 0.00 H new ATOM 0 HE ARG A 522 6.872 -8.122 -14.113 1.00 0.00 H new ATOM 0 HH11 ARG A 522 9.383 -5.798 -14.987 1.00 0.00 H new ATOM 0 HH12 ARG A 522 10.704 -6.886 -14.548 1.00 0.00 H new ATOM 0 HH21 ARG A 522 8.575 -9.513 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 522 10.249 -8.980 -13.739 1.00 0.00 H new ATOM 771 N ARG A 523 5.714 -1.843 -17.639 1.00 0.00 N ATOM 772 CA ARG A 523 5.313 -0.830 -18.608 1.00 0.00 C ATOM 773 C ARG A 523 6.329 0.307 -18.658 1.00 0.00 C ATOM 774 O ARG A 523 6.742 0.736 -19.735 1.00 0.00 O ATOM 775 CB ARG A 523 3.931 -0.277 -18.256 1.00 0.00 C ATOM 776 CG ARG A 523 3.532 0.936 -19.081 1.00 0.00 C ATOM 777 CD ARG A 523 2.843 0.529 -20.374 1.00 0.00 C ATOM 778 NE ARG A 523 1.613 -0.219 -20.127 1.00 0.00 N ATOM 779 CZ ARG A 523 0.608 -0.287 -20.992 1.00 0.00 C ATOM 780 NH1 ARG A 523 0.686 0.345 -22.155 1.00 0.00 N ATOM 781 NH2 ARG A 523 -0.479 -0.988 -20.695 1.00 0.00 N ATOM 0 H ARG A 523 5.008 -2.057 -16.935 1.00 0.00 H new ATOM 0 HA ARG A 523 5.270 -1.300 -19.591 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.188 -1.062 -18.397 1.00 0.00 H new ATOM 0 HB3 ARG A 523 3.915 -0.009 -17.200 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.866 1.571 -18.497 1.00 0.00 H new ATOM 0 HG3 ARG A 523 4.418 1.529 -19.310 1.00 0.00 H new ATOM 0 HD2 ARG A 523 2.614 1.420 -20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.523 -0.078 -20.971 1.00 0.00 H new ATOM 0 HE ARG A 523 1.521 -0.716 -19.241 1.00 0.00 H new ATOM 0 HH11 ARG A 523 1.520 0.885 -22.387 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -0.088 0.291 -22.818 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -0.543 -1.475 -19.801 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -1.250 -1.039 -21.360 1.00 0.00 H new ATOM 795 N GLU A 524 6.728 0.790 -17.486 1.00 0.00 N ATOM 796 CA GLU A 524 7.695 1.878 -17.397 1.00 0.00 C ATOM 797 C GLU A 524 9.119 1.355 -17.560 1.00 0.00 C ATOM 798 O GLU A 524 9.983 2.036 -18.113 1.00 0.00 O ATOM 799 CB GLU A 524 7.557 2.605 -16.058 1.00 0.00 C ATOM 800 CG GLU A 524 6.384 3.570 -16.007 1.00 0.00 C ATOM 801 CD GLU A 524 6.747 4.957 -16.500 1.00 0.00 C ATOM 802 OE1 GLU A 524 7.607 5.062 -17.400 1.00 0.00 O ATOM 803 OE2 GLU A 524 6.172 5.938 -15.985 1.00 0.00 O ATOM 0 H GLU A 524 6.397 0.445 -16.585 1.00 0.00 H new ATOM 0 HA GLU A 524 7.489 2.579 -18.206 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.444 1.867 -15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.477 3.154 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.568 3.176 -16.612 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.018 3.637 -14.982 1.00 0.00 H new ATOM 810 N ASP A 525 9.356 0.141 -17.074 1.00 0.00 N ATOM 811 CA ASP A 525 10.675 -0.475 -17.165 1.00 0.00 C ATOM 812 C ASP A 525 11.647 0.174 -16.184 1.00 0.00 C ATOM 813 O ASP A 525 12.811 0.404 -16.510 1.00 0.00 O ATOM 814 CB ASP A 525 11.217 -0.360 -18.591 1.00 0.00 C ATOM 815 CG ASP A 525 12.163 -1.491 -18.943 1.00 0.00 C ATOM 816 OD1 ASP A 525 13.230 -1.594 -18.302 1.00 0.00 O ATOM 817 OD2 ASP A 525 11.837 -2.274 -19.860 1.00 0.00 O ATOM 0 H ASP A 525 8.652 -0.436 -16.613 1.00 0.00 H new ATOM 0 HA ASP A 525 10.576 -1.529 -16.906 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.384 -0.355 -19.294 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.735 0.592 -18.704 1.00 0.00 H new ATOM 822 N GLU A 526 11.159 0.467 -14.982 1.00 0.00 N ATOM 823 CA GLU A 526 11.985 1.090 -13.955 1.00 0.00 C ATOM 824 C GLU A 526 12.130 0.175 -12.743 1.00 0.00 C ATOM 825 O GLU A 526 11.353 -0.763 -12.564 1.00 0.00 O ATOM 826 CB GLU A 526 11.381 2.430 -13.528 1.00 0.00 C ATOM 827 CG GLU A 526 12.419 3.465 -13.127 1.00 0.00 C ATOM 828 CD GLU A 526 13.019 4.182 -14.321 1.00 0.00 C ATOM 829 OE1 GLU A 526 13.419 3.497 -15.285 1.00 0.00 O ATOM 830 OE2 GLU A 526 13.088 5.428 -14.291 1.00 0.00 O ATOM 0 H GLU A 526 10.197 0.283 -14.696 1.00 0.00 H new ATOM 0 HA GLU A 526 12.975 1.263 -14.377 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.782 2.827 -14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 526 10.704 2.263 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 526 11.960 4.196 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 526 13.214 2.977 -12.563 1.00 0.00 H new ATOM 837 N SER A 527 13.130 0.455 -11.913 1.00 0.00 N ATOM 838 CA SER A 527 13.379 -0.345 -10.720 1.00 0.00 C ATOM 839 C SER A 527 12.161 -0.346 -9.801 1.00 0.00 C ATOM 840 O SER A 527 11.533 0.691 -9.584 1.00 0.00 O ATOM 841 CB SER A 527 14.599 0.190 -9.968 1.00 0.00 C ATOM 842 OG SER A 527 15.801 -0.145 -10.641 1.00 0.00 O ATOM 0 H SER A 527 13.780 1.230 -12.045 1.00 0.00 H new ATOM 0 HA SER A 527 13.575 -1.370 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.523 1.273 -9.870 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.617 -0.221 -8.959 1.00 0.00 H new ATOM 0 HG SER A 527 16.566 0.210 -10.141 1.00 0.00 H new ATOM 848 N TYR A 528 11.833 -1.516 -9.265 1.00 0.00 N ATOM 849 CA TYR A 528 10.689 -1.654 -8.372 1.00 0.00 C ATOM 850 C TYR A 528 10.714 -0.583 -7.286 1.00 0.00 C ATOM 851 O TYR A 528 9.735 0.132 -7.080 1.00 0.00 O ATOM 852 CB TYR A 528 10.678 -3.044 -7.734 1.00 0.00 C ATOM 853 CG TYR A 528 10.305 -4.149 -8.696 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.975 -4.412 -9.001 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.283 -4.930 -9.300 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.630 -5.421 -9.879 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.947 -5.941 -10.180 1.00 0.00 C ATOM 858 CZ TYR A 528 9.619 -6.182 -10.466 1.00 0.00 C ATOM 859 OH TYR A 528 9.280 -7.189 -11.342 1.00 0.00 O ATOM 0 H TYR A 528 12.343 -2.383 -9.433 1.00 0.00 H new ATOM 0 HA TYR A 528 9.782 -1.526 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.664 -3.252 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.975 -3.047 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.198 -3.817 -8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.323 -4.744 -9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.591 -5.613 -10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.719 -6.539 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 528 10.094 -7.628 -11.667 1.00 0.00 H new ATOM 869 N GLY A 529 11.844 -0.480 -6.592 1.00 0.00 N ATOM 870 CA GLY A 529 11.978 0.506 -5.535 1.00 0.00 C ATOM 871 C GLY A 529 11.551 1.891 -5.977 1.00 0.00 C ATOM 872 O GLY A 529 10.836 2.587 -5.256 1.00 0.00 O ATOM 0 H GLY A 529 12.668 -1.061 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.377 0.200 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 529 13.015 0.538 -5.202 1.00 0.00 H new ATOM 876 N TYR A 530 11.991 2.294 -7.164 1.00 0.00 N ATOM 877 CA TYR A 530 11.653 3.608 -7.698 1.00 0.00 C ATOM 878 C TYR A 530 10.141 3.806 -7.741 1.00 0.00 C ATOM 879 O TYR A 530 9.611 4.758 -7.167 1.00 0.00 O ATOM 880 CB TYR A 530 12.240 3.777 -9.101 1.00 0.00 C ATOM 881 CG TYR A 530 11.802 5.049 -9.791 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.463 6.250 -9.562 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.728 5.050 -10.672 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.066 7.414 -10.190 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.325 6.210 -11.305 1.00 0.00 C ATOM 886 CZ TYR A 530 10.997 7.389 -11.061 1.00 0.00 C ATOM 887 OH TYR A 530 10.597 8.547 -11.689 1.00 0.00 O ATOM 0 H TYR A 530 12.582 1.730 -7.774 1.00 0.00 H new ATOM 0 HA TYR A 530 12.082 4.362 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.328 3.766 -9.034 1.00 0.00 H new ATOM 0 HB3 TYR A 530 11.949 2.923 -9.713 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.301 6.273 -8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.199 4.128 -10.865 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.590 8.339 -10.000 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.488 6.193 -11.987 1.00 0.00 H new ATOM 0 HH TYR A 530 9.831 8.356 -12.270 1.00 0.00 H new ATOM 897 N VAL A 531 9.450 2.899 -8.425 1.00 0.00 N ATOM 898 CA VAL A 531 7.999 2.972 -8.542 1.00 0.00 C ATOM 899 C VAL A 531 7.350 3.215 -7.184 1.00 0.00 C ATOM 900 O VAL A 531 6.686 4.231 -6.973 1.00 0.00 O ATOM 901 CB VAL A 531 7.420 1.682 -9.152 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.910 1.793 -9.301 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.075 1.387 -10.493 1.00 0.00 C ATOM 0 H VAL A 531 9.872 2.105 -8.906 1.00 0.00 H new ATOM 0 HA VAL A 531 7.776 3.810 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 531 7.635 0.853 -8.477 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.518 0.872 -9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.459 1.955 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.670 2.632 -9.954 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.654 0.472 -10.910 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.892 2.215 -11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.149 1.262 -10.354 1.00 0.00 H new ATOM 913 N LEU A 532 7.546 2.276 -6.265 1.00 0.00 N ATOM 914 CA LEU A 532 6.980 2.388 -4.925 1.00 0.00 C ATOM 915 C LEU A 532 7.677 1.436 -3.958 1.00 0.00 C ATOM 916 O LEU A 532 7.658 0.216 -4.127 1.00 0.00 O ATOM 917 CB LEU A 532 5.479 2.091 -4.957 1.00 0.00 C ATOM 918 CG LEU A 532 4.744 2.205 -3.621 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.484 3.663 -3.277 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.438 1.424 -3.664 1.00 0.00 C ATOM 0 H LEU A 532 8.092 1.429 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 532 7.135 3.409 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.009 2.772 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.337 1.081 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 532 5.376 1.777 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.960 3.724 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.433 4.195 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.872 4.117 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.928 1.516 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.801 1.823 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.649 0.373 -3.864 1.00 0.00 H new ATOM 932 N PRO A 533 8.306 2.003 -2.918 1.00 0.00 N ATOM 933 CA PRO A 533 9.018 1.223 -1.902 1.00 0.00 C ATOM 934 C PRO A 533 8.071 0.421 -1.017 1.00 0.00 C ATOM 935 O PRO A 533 6.853 0.580 -1.092 1.00 0.00 O ATOM 936 CB PRO A 533 9.744 2.291 -1.079 1.00 0.00 C ATOM 937 CG PRO A 533 8.931 3.526 -1.261 1.00 0.00 C ATOM 938 CD PRO A 533 8.369 3.451 -2.654 1.00 0.00 C ATOM 0 HA PRO A 533 9.683 0.484 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.804 2.008 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.766 2.434 -1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.133 3.580 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.544 4.419 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.384 3.914 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.008 3.963 -3.373 1.00 0.00 H new ATOM 946 N ASN A 534 8.638 -0.441 -0.179 1.00 0.00 N ATOM 947 CA ASN A 534 7.843 -1.269 0.720 1.00 0.00 C ATOM 948 C ASN A 534 7.229 -0.426 1.835 1.00 0.00 C ATOM 949 O ASN A 534 6.027 -0.498 2.093 1.00 0.00 O ATOM 950 CB ASN A 534 8.706 -2.380 1.322 1.00 0.00 C ATOM 951 CG ASN A 534 9.297 -3.290 0.263 1.00 0.00 C ATOM 952 OD1 ASN A 534 10.512 -3.333 0.074 1.00 0.00 O ATOM 953 ND2 ASN A 534 8.436 -4.023 -0.434 1.00 0.00 N ATOM 0 H ASN A 534 9.645 -0.584 -0.104 1.00 0.00 H new ATOM 0 HA ASN A 534 7.036 -1.719 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.512 -1.935 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 534 8.103 -2.972 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 534 8.774 -4.654 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 534 7.436 -3.955 -0.243 1.00 0.00 H new ATOM 960 N HIS A 535 8.063 0.374 2.492 1.00 0.00 N ATOM 961 CA HIS A 535 7.603 1.231 3.578 1.00 0.00 C ATOM 962 C HIS A 535 6.399 2.061 3.143 1.00 0.00 C ATOM 963 O HIS A 535 5.376 2.094 3.825 1.00 0.00 O ATOM 964 CB HIS A 535 8.732 2.153 4.042 1.00 0.00 C ATOM 965 CG HIS A 535 8.791 3.449 3.294 1.00 0.00 C ATOM 966 ND1 HIS A 535 9.820 3.777 2.436 1.00 0.00 N ATOM 967 CD2 HIS A 535 7.941 4.502 3.279 1.00 0.00 C ATOM 968 CE1 HIS A 535 9.600 4.976 1.927 1.00 0.00 C ATOM 969 NE2 HIS A 535 8.466 5.438 2.422 1.00 0.00 N ATOM 0 H HIS A 535 9.060 0.446 2.291 1.00 0.00 H new ATOM 0 HA HIS A 535 7.301 0.593 4.408 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.607 2.361 5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.684 1.634 3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 535 7.021 4.590 3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 535 10.239 5.491 1.225 1.00 0.00 H new ATOM 0 HE2 HIS A 535 8.048 6.342 2.203 1.00 0.00 H new ATOM 977 N MET A 536 6.530 2.731 2.002 1.00 0.00 N ATOM 978 CA MET A 536 5.452 3.561 1.476 1.00 0.00 C ATOM 979 C MET A 536 4.206 2.725 1.204 1.00 0.00 C ATOM 980 O MET A 536 3.106 3.076 1.630 1.00 0.00 O ATOM 981 CB MET A 536 5.900 4.262 0.192 1.00 0.00 C ATOM 982 CG MET A 536 4.901 5.285 -0.322 1.00 0.00 C ATOM 983 SD MET A 536 5.124 6.911 0.425 1.00 0.00 S ATOM 984 CE MET A 536 6.682 7.408 -0.304 1.00 0.00 C ATOM 0 H MET A 536 7.371 2.715 1.425 1.00 0.00 H new ATOM 0 HA MET A 536 5.207 4.313 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.854 4.757 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.070 3.513 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 536 4.999 5.370 -1.404 1.00 0.00 H new ATOM 0 HG3 MET A 536 3.890 4.932 -0.120 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.429 7.529 0.481 1.00 0.00 H new ATOM 0 HE2 MET A 536 7.015 6.644 -1.007 1.00 0.00 H new ATOM 0 HE3 MET A 536 6.552 8.354 -0.830 1.00 0.00 H new ATOM 994 N MET A 537 4.385 1.617 0.491 1.00 0.00 N ATOM 995 CA MET A 537 3.275 0.731 0.164 1.00 0.00 C ATOM 996 C MET A 537 2.476 0.376 1.414 1.00 0.00 C ATOM 997 O MET A 537 1.244 0.379 1.398 1.00 0.00 O ATOM 998 CB MET A 537 3.791 -0.544 -0.505 1.00 0.00 C ATOM 999 CG MET A 537 2.694 -1.541 -0.843 1.00 0.00 C ATOM 1000 SD MET A 537 3.135 -2.619 -2.219 1.00 0.00 S ATOM 1001 CE MET A 537 4.569 -3.457 -1.547 1.00 0.00 C ATOM 0 H MET A 537 5.289 1.312 0.129 1.00 0.00 H new ATOM 0 HA MET A 537 2.617 1.255 -0.529 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.321 -0.276 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.515 -1.023 0.154 1.00 0.00 H new ATOM 0 HG2 MET A 537 2.478 -2.149 0.035 1.00 0.00 H new ATOM 0 HG3 MET A 537 1.780 -1.000 -1.089 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.470 -3.080 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.628 -3.273 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 537 4.482 -4.528 -1.727 1.00 0.00 H new ATOM 1011 N LEU A 538 3.184 0.068 2.495 1.00 0.00 N ATOM 1012 CA LEU A 538 2.541 -0.290 3.755 1.00 0.00 C ATOM 1013 C LEU A 538 1.687 0.861 4.277 1.00 0.00 C ATOM 1014 O LEU A 538 0.471 0.731 4.423 1.00 0.00 O ATOM 1015 CB LEU A 538 3.593 -0.673 4.797 1.00 0.00 C ATOM 1016 CG LEU A 538 4.158 -2.090 4.691 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.432 -2.219 5.510 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.124 -3.111 5.143 1.00 0.00 C ATOM 0 H LEU A 538 4.204 0.059 2.525 1.00 0.00 H new ATOM 0 HA LEU A 538 1.892 -1.146 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.420 0.033 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.155 -0.551 5.788 1.00 0.00 H new ATOM 0 HG LEU A 538 4.401 -2.287 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.820 -3.234 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.176 -1.513 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.216 -2.002 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.543 -4.114 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.849 -2.916 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.238 -3.035 4.513 1.00 0.00 H new ATOM 1030 N LYS A 539 2.331 1.990 4.555 1.00 0.00 N ATOM 1031 CA LYS A 539 1.632 3.166 5.058 1.00 0.00 C ATOM 1032 C LYS A 539 0.294 3.349 4.348 1.00 0.00 C ATOM 1033 O LYS A 539 -0.730 3.594 4.986 1.00 0.00 O ATOM 1034 CB LYS A 539 2.495 4.416 4.872 1.00 0.00 C ATOM 1035 CG LYS A 539 1.944 5.645 5.574 1.00 0.00 C ATOM 1036 CD LYS A 539 2.484 6.926 4.961 1.00 0.00 C ATOM 1037 CE LYS A 539 3.968 7.099 5.247 1.00 0.00 C ATOM 1038 NZ LYS A 539 4.805 6.211 4.393 1.00 0.00 N ATOM 0 H LYS A 539 3.337 2.115 4.440 1.00 0.00 H new ATOM 0 HA LYS A 539 1.442 3.018 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.499 4.213 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.589 4.628 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 539 0.856 5.642 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 539 2.205 5.609 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 539 2.319 6.913 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 539 1.934 7.780 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 539 4.252 8.138 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 539 4.163 6.882 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 5.643 6.733 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 5.106 5.382 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 4.251 5.897 3.571 1.00 0.00 H new ATOM 1052 N ILE A 540 0.311 3.227 3.025 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.902 3.376 2.229 1.00 0.00 C ATOM 1054 C ILE A 540 -1.911 2.280 2.553 1.00 0.00 C ATOM 1055 O ILE A 540 -3.057 2.561 2.902 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.593 3.344 0.721 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.421 4.433 0.362 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.871 3.517 -0.086 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.159 4.169 -0.932 1.00 0.00 C ATOM 0 H ILE A 540 1.150 3.026 2.482 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.329 4.346 2.484 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.159 2.375 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.096 5.389 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.145 4.525 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.636 3.492 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.563 2.709 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.331 4.474 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.860 4.981 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.705 3.229 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.444 4.107 -1.752 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.475 1.030 2.437 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.339 -0.109 2.722 1.00 0.00 C ATOM 1073 C ALA A 541 -2.965 0.009 4.108 1.00 0.00 C ATOM 1074 O ALA A 541 -4.122 -0.358 4.308 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.555 -1.408 2.604 1.00 0.00 C ATOM 0 H ALA A 541 -0.529 0.780 2.148 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.145 -0.115 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.212 -2.250 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -1.161 -1.505 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.729 -1.401 3.316 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.192 0.523 5.059 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.672 0.687 6.426 1.00 0.00 C ATOM 1083 C GLU A 542 -3.624 1.875 6.529 1.00 0.00 C ATOM 1084 O GLU A 542 -4.641 1.810 7.219 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.494 0.878 7.384 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.488 -0.259 7.347 1.00 0.00 C ATOM 1087 CD GLU A 542 0.629 -0.083 8.357 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.362 0.465 9.447 1.00 0.00 O ATOM 1089 OE2 GLU A 542 1.770 -0.494 8.058 1.00 0.00 O ATOM 0 H GLU A 542 -1.232 0.833 4.908 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.215 -0.216 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.985 1.810 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.876 0.981 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.002 -1.200 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.061 -0.329 6.347 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.285 2.959 5.839 1.00 0.00 N ATOM 1097 CA GLU A 543 -4.109 4.162 5.854 1.00 0.00 C ATOM 1098 C GLU A 543 -5.489 3.884 5.266 1.00 0.00 C ATOM 1099 O GLU A 543 -6.512 4.168 5.891 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.426 5.285 5.071 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.376 6.035 5.873 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.236 7.482 5.441 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -2.016 7.724 4.236 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.347 8.373 6.310 1.00 0.00 O ATOM 0 H GLU A 543 -2.446 3.029 5.263 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.231 4.474 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.959 4.864 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.183 5.991 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.638 5.999 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.415 5.533 5.765 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.511 3.327 4.060 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.765 3.010 3.386 1.00 0.00 C ATOM 1113 C LEU A 544 -7.584 4.272 3.138 1.00 0.00 C ATOM 1114 O LEU A 544 -8.751 4.368 3.517 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.577 2.016 4.218 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.930 0.650 4.452 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.907 -0.293 5.137 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.447 0.056 3.137 1.00 0.00 C ATOM 0 H LEU A 544 -4.674 3.086 3.529 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.527 2.559 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.784 2.469 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.538 1.861 3.727 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.068 0.785 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.429 -1.260 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.204 0.126 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.789 -0.422 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -5.990 -0.916 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.293 -0.065 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.712 0.722 2.685 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.960 5.264 2.484 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.614 6.537 2.169 1.00 0.00 C ATOM 1132 C PRO A 545 -8.696 6.385 1.105 1.00 0.00 C ATOM 1133 O PRO A 545 -8.440 5.883 0.011 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.467 7.404 1.644 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.465 6.432 1.122 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.569 5.218 2.003 1.00 0.00 C ATOM 0 HA PRO A 545 -8.124 6.959 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.809 8.080 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -6.044 8.022 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.672 6.179 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.460 6.852 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.365 4.301 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.857 5.258 2.827 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.907 6.823 1.433 1.00 0.00 N ATOM 1145 CA LYS A 546 -11.029 6.738 0.506 1.00 0.00 C ATOM 1146 C LYS A 546 -10.839 7.693 -0.667 1.00 0.00 C ATOM 1147 O LYS A 546 -11.413 7.496 -1.738 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.340 7.056 1.229 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.473 8.514 1.633 1.00 0.00 C ATOM 1150 CD LYS A 546 -11.864 8.772 3.001 1.00 0.00 C ATOM 1151 CE LYS A 546 -12.442 10.024 3.642 1.00 0.00 C ATOM 1152 NZ LYS A 546 -11.673 11.244 3.269 1.00 0.00 N ATOM 0 H LYS A 546 -10.136 7.241 2.335 1.00 0.00 H new ATOM 0 HA LYS A 546 -11.072 5.720 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.176 6.789 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.414 6.432 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.983 9.144 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -13.526 8.795 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -12.045 7.914 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -10.783 8.877 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -13.481 10.142 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -12.440 9.911 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -12.098 12.076 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -10.687 11.143 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -11.696 11.367 2.237 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.030 8.727 -0.458 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.764 9.711 -1.501 1.00 0.00 C ATOM 1168 C GLU A 547 -8.383 9.497 -2.112 1.00 0.00 C ATOM 1169 O GLU A 547 -7.490 8.908 -1.502 1.00 0.00 O ATOM 1170 CB GLU A 547 -9.869 11.128 -0.933 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.266 11.719 -1.026 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.327 13.153 -0.536 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -10.783 13.431 0.553 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -11.918 13.996 -1.242 1.00 0.00 O ATOM 0 H GLU A 547 -9.548 8.905 0.423 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.511 9.584 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.558 11.116 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.173 11.776 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.606 11.678 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -11.954 11.109 -0.440 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.201 9.987 -3.348 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.931 9.862 -4.069 1.00 0.00 C ATOM 1183 C PRO A 548 -5.830 10.724 -3.460 1.00 0.00 C ATOM 1184 O PRO A 548 -4.691 10.711 -3.925 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.274 10.351 -5.479 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.439 11.261 -5.291 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.220 10.700 -4.135 1.00 0.00 C ATOM 0 HA PRO A 548 -6.544 8.844 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.432 10.874 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.524 9.519 -6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.109 12.279 -5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -9.051 11.303 -6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.698 11.488 -3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -10.010 10.029 -4.472 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.179 11.471 -2.418 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.220 12.339 -1.746 1.00 0.00 C ATOM 1197 C GLN A 549 -4.318 11.536 -0.815 1.00 0.00 C ATOM 1198 O GLN A 549 -3.093 11.636 -0.882 1.00 0.00 O ATOM 1199 CB GLN A 549 -5.950 13.426 -0.955 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.064 14.601 -0.575 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.831 15.710 0.119 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -7.004 15.946 -0.174 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.172 16.398 1.044 1.00 0.00 N ATOM 0 H GLN A 549 -7.118 11.493 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.599 12.809 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.790 13.791 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.365 12.987 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.265 14.252 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.590 14.999 -1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -4.201 16.168 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -5.637 17.156 1.544 1.00 0.00 H new ATOM 1212 N GLY A 550 -4.932 10.738 0.054 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.168 9.930 0.987 1.00 0.00 C ATOM 1214 C GLY A 550 -3.050 9.163 0.309 1.00 0.00 C ATOM 1215 O GLY A 550 -1.977 8.981 0.884 1.00 0.00 O ATOM 0 H GLY A 550 -5.944 10.637 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -3.747 10.573 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -4.836 9.228 1.486 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.301 8.713 -0.916 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.306 7.962 -1.672 1.00 0.00 C ATOM 1221 C ILE A 551 -1.144 8.856 -2.091 1.00 0.00 C ATOM 1222 O ILE A 551 -0.030 8.380 -2.313 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.923 7.317 -2.928 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -4.159 6.498 -2.552 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.895 6.445 -3.633 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.450 7.282 -2.626 1.00 0.00 C ATOM 0 H ILE A 551 -4.184 8.855 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.936 7.176 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.230 8.108 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.229 5.636 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.035 6.113 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.345 5.996 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -1.042 7.055 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.561 5.658 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.284 6.638 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.401 8.129 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.597 7.645 -3.643 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.411 10.153 -2.196 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.386 11.114 -2.586 1.00 0.00 C ATOM 1240 C ILE A 552 0.359 11.647 -1.367 1.00 0.00 C ATOM 1241 O ILE A 552 1.544 11.972 -1.445 1.00 0.00 O ATOM 1242 CB ILE A 552 -0.992 12.299 -3.362 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.801 11.793 -4.558 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.106 13.247 -3.822 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.512 12.893 -5.315 1.00 0.00 C ATOM 0 H ILE A 552 -2.328 10.563 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 552 0.313 10.585 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.663 12.845 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.134 11.266 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.537 11.069 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.337 14.079 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.644 13.629 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.799 12.713 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -3.065 12.462 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.204 13.406 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.780 13.605 -5.695 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.342 11.732 -0.242 1.00 0.00 N ATOM 1258 CA ALA A 553 0.254 12.222 0.995 1.00 0.00 C ATOM 1259 C ALA A 553 1.411 11.331 1.437 1.00 0.00 C ATOM 1260 O ALA A 553 2.512 11.814 1.703 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.798 12.307 2.091 1.00 0.00 C ATOM 0 H ALA A 553 -1.324 11.468 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 553 0.649 13.221 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.339 12.674 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.590 12.990 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.220 11.318 2.267 1.00 0.00 H new ATOM 1267 N CYS A 554 1.154 10.030 1.513 1.00 0.00 N ATOM 1268 CA CYS A 554 2.174 9.072 1.924 1.00 0.00 C ATOM 1269 C CYS A 554 3.514 9.390 1.269 1.00 0.00 C ATOM 1270 O CYS A 554 4.569 9.233 1.884 1.00 0.00 O ATOM 1271 CB CYS A 554 1.741 7.650 1.566 1.00 0.00 C ATOM 1272 SG CYS A 554 1.496 7.377 -0.205 1.00 0.00 S ATOM 0 H CYS A 554 0.248 9.614 1.295 1.00 0.00 H new ATOM 0 HA CYS A 554 2.293 9.146 3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 554 2.493 6.950 1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.813 7.421 2.090 1.00 0.00 H new ATOM 0 HG CYS A 554 0.818 8.366 -0.707 1.00 0.00 H new ATOM 1278 N CYS A 555 3.464 9.835 0.019 1.00 0.00 N ATOM 1279 CA CYS A 555 4.675 10.172 -0.722 1.00 0.00 C ATOM 1280 C CYS A 555 5.042 11.639 -0.523 1.00 0.00 C ATOM 1281 O CYS A 555 4.200 12.524 -0.661 1.00 0.00 O ATOM 1282 CB CYS A 555 4.486 9.878 -2.210 1.00 0.00 C ATOM 1283 SG CYS A 555 4.313 8.121 -2.599 1.00 0.00 S ATOM 0 H CYS A 555 2.598 9.971 -0.503 1.00 0.00 H new ATOM 0 HA CYS A 555 5.489 9.557 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 555 3.601 10.406 -2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 555 5.338 10.279 -2.760 1.00 0.00 H new ATOM 0 HG CYS A 555 4.315 7.430 -1.498 1.00 0.00 H new ATOM 1289 N ASN A 556 6.307 11.888 -0.197 1.00 0.00 N ATOM 1290 CA ASN A 556 6.785 13.248 0.023 1.00 0.00 C ATOM 1291 C ASN A 556 8.309 13.306 -0.044 1.00 0.00 C ATOM 1292 O ASN A 556 9.012 12.885 0.875 1.00 0.00 O ATOM 1293 CB ASN A 556 6.303 13.768 1.379 1.00 0.00 C ATOM 1294 CG ASN A 556 6.382 12.711 2.464 1.00 0.00 C ATOM 1295 OD1 ASN A 556 5.777 11.645 2.352 1.00 0.00 O ATOM 1296 ND2 ASN A 556 7.129 13.004 3.522 1.00 0.00 N ATOM 0 H ASN A 556 7.018 11.166 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 556 6.379 13.881 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 556 6.905 14.629 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 556 5.274 14.115 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 556 7.219 12.333 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 556 7.613 13.900 3.572 1.00 0.00 H new ATOM 1303 N PRO A 557 8.832 13.840 -1.157 1.00 0.00 N ATOM 1304 CA PRO A 557 8.005 14.344 -2.258 1.00 0.00 C ATOM 1305 C PRO A 557 7.297 13.222 -3.011 1.00 0.00 C ATOM 1306 O PRO A 557 7.578 12.043 -2.798 1.00 0.00 O ATOM 1307 CB PRO A 557 9.015 15.045 -3.169 1.00 0.00 C ATOM 1308 CG PRO A 557 10.314 14.373 -2.882 1.00 0.00 C ATOM 1309 CD PRO A 557 10.271 13.993 -1.428 1.00 0.00 C ATOM 0 HA PRO A 557 7.207 14.996 -1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.739 14.942 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.066 16.113 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.446 13.493 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.152 15.040 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.816 13.068 -1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.719 14.762 -0.798 1.00 0.00 H new ATOM 1317 N VAL A 558 6.376 13.598 -3.894 1.00 0.00 N ATOM 1318 CA VAL A 558 5.629 12.624 -4.680 1.00 0.00 C ATOM 1319 C VAL A 558 6.247 12.442 -6.061 1.00 0.00 C ATOM 1320 O VAL A 558 6.486 13.402 -6.794 1.00 0.00 O ATOM 1321 CB VAL A 558 4.156 13.044 -4.841 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.431 12.097 -5.785 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.465 13.091 -3.486 1.00 0.00 C ATOM 0 H VAL A 558 6.130 14.570 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 558 5.673 11.679 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 558 4.126 14.044 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.392 12.409 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.913 12.118 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.468 11.084 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.425 13.389 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.504 12.105 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.971 13.813 -2.844 1.00 0.00 H new ATOM 1333 N PRO A 559 6.514 11.179 -6.429 1.00 0.00 N ATOM 1334 CA PRO A 559 7.107 10.841 -7.726 1.00 0.00 C ATOM 1335 C PRO A 559 6.144 11.078 -8.884 1.00 0.00 C ATOM 1336 O PRO A 559 4.938 11.241 -8.696 1.00 0.00 O ATOM 1337 CB PRO A 559 7.425 9.349 -7.592 1.00 0.00 C ATOM 1338 CG PRO A 559 6.467 8.848 -6.567 1.00 0.00 C ATOM 1339 CD PRO A 559 6.255 9.985 -5.606 1.00 0.00 C ATOM 0 HA PRO A 559 7.977 11.459 -7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.296 8.830 -8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.457 9.191 -7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.526 8.546 -7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.867 7.973 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 559 5.242 9.987 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.936 9.926 -4.757 1.00 0.00 H new ATOM 1347 N PRO A 560 6.686 11.099 -10.110 1.00 0.00 N ATOM 1348 CA PRO A 560 5.892 11.315 -11.323 1.00 0.00 C ATOM 1349 C PRO A 560 4.982 10.132 -11.638 1.00 0.00 C ATOM 1350 O PRO A 560 4.198 10.175 -12.587 1.00 0.00 O ATOM 1351 CB PRO A 560 6.951 11.480 -12.416 1.00 0.00 C ATOM 1352 CG PRO A 560 8.143 10.749 -11.903 1.00 0.00 C ATOM 1353 CD PRO A 560 8.116 10.912 -10.408 1.00 0.00 C ATOM 0 HA PRO A 560 5.224 12.170 -11.225 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.609 11.064 -13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.177 12.532 -12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.105 9.696 -12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.062 11.157 -12.324 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.521 10.036 -9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.709 11.768 -10.087 1.00 0.00 H new ATOM 1361 N LEU A 561 5.090 9.078 -10.837 1.00 0.00 N ATOM 1362 CA LEU A 561 4.276 7.883 -11.030 1.00 0.00 C ATOM 1363 C LEU A 561 3.051 7.906 -10.121 1.00 0.00 C ATOM 1364 O LEU A 561 1.924 8.077 -10.584 1.00 0.00 O ATOM 1365 CB LEU A 561 5.105 6.628 -10.757 1.00 0.00 C ATOM 1366 CG LEU A 561 6.303 6.401 -11.679 1.00 0.00 C ATOM 1367 CD1 LEU A 561 7.155 5.246 -11.173 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.838 6.138 -13.104 1.00 0.00 C ATOM 0 H LEU A 561 5.734 9.026 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 561 3.936 7.868 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.466 6.672 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.448 5.761 -10.827 1.00 0.00 H new ATOM 0 HG LEU A 561 6.913 7.304 -11.678 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.003 5.099 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.518 5.474 -10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.555 4.337 -11.143 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.704 5.979 -13.746 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.205 5.251 -13.122 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.271 6.996 -13.466 1.00 0.00 H new ATOM 1380 N VAL A 562 3.281 7.734 -8.823 1.00 0.00 N ATOM 1381 CA VAL A 562 2.197 7.738 -7.848 1.00 0.00 C ATOM 1382 C VAL A 562 1.123 8.751 -8.224 1.00 0.00 C ATOM 1383 O VAL A 562 -0.071 8.491 -8.073 1.00 0.00 O ATOM 1384 CB VAL A 562 2.716 8.058 -6.433 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.562 8.131 -5.445 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.740 7.023 -5.994 1.00 0.00 C ATOM 0 H VAL A 562 4.208 7.590 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 562 1.765 6.737 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 562 3.205 9.032 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.948 8.358 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.869 8.914 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 562 1.041 7.174 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 562 4.096 7.265 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 562 3.279 6.035 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.581 7.026 -6.688 1.00 0.00 H new ATOM 1396 N ARG A 563 1.554 9.908 -8.716 1.00 0.00 N ATOM 1397 CA ARG A 563 0.629 10.962 -9.114 1.00 0.00 C ATOM 1398 C ARG A 563 0.006 10.654 -10.473 1.00 0.00 C ATOM 1399 O ARG A 563 -1.205 10.779 -10.654 1.00 0.00 O ATOM 1400 CB ARG A 563 1.349 12.310 -9.166 1.00 0.00 C ATOM 1401 CG ARG A 563 0.422 13.503 -8.997 1.00 0.00 C ATOM 1402 CD ARG A 563 -0.018 13.667 -7.551 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.901 14.817 -7.374 1.00 0.00 N ATOM 1404 CZ ARG A 563 -0.488 16.077 -7.445 1.00 0.00 C ATOM 1405 NH1 ARG A 563 0.787 16.349 -7.687 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -1.352 17.070 -7.273 1.00 0.00 N ATOM 0 H ARG A 563 2.539 10.139 -8.849 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.167 11.011 -8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.108 12.337 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 563 1.870 12.398 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 563 0.929 14.409 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.454 13.377 -9.633 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.531 12.763 -7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 563 0.860 13.783 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 563 -1.888 14.643 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 563 1.454 15.589 -7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 563 1.100 17.318 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -2.334 16.865 -7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -1.034 18.038 -7.328 1.00 0.00 H new ATOM 1420 N GLN A 564 0.843 10.252 -11.424 1.00 0.00 N ATOM 1421 CA GLN A 564 0.374 9.927 -12.766 1.00 0.00 C ATOM 1422 C GLN A 564 -0.703 8.848 -12.721 1.00 0.00 C ATOM 1423 O GLN A 564 -1.817 9.050 -13.201 1.00 0.00 O ATOM 1424 CB GLN A 564 1.542 9.463 -13.639 1.00 0.00 C ATOM 1425 CG GLN A 564 1.115 8.955 -15.007 1.00 0.00 C ATOM 1426 CD GLN A 564 2.217 9.068 -16.041 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.700 10.162 -16.333 1.00 0.00 O ATOM 1428 NE2 GLN A 564 2.621 7.934 -16.602 1.00 0.00 N ATOM 0 H GLN A 564 1.848 10.144 -11.290 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.059 10.828 -13.200 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.239 10.291 -13.769 1.00 0.00 H new ATOM 0 HB3 GLN A 564 2.081 8.671 -13.119 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.806 7.913 -14.923 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.246 9.519 -15.345 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.193 7.049 -16.330 1.00 0.00 H new ATOM 0 HE22 GLN A 564 3.360 7.948 -17.305 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.361 7.702 -12.141 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.298 6.591 -12.034 1.00 0.00 C ATOM 1439 C GLN A 565 -2.083 6.664 -10.728 1.00 0.00 C ATOM 1440 O GLN A 565 -2.626 5.662 -10.262 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.554 5.257 -12.120 1.00 0.00 C ATOM 1442 CG GLN A 565 0.316 5.126 -13.360 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.471 4.699 -14.583 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.135 5.514 -15.224 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.400 3.415 -14.915 1.00 0.00 N ATOM 0 H GLN A 565 0.558 7.519 -11.738 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.001 6.662 -12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.070 5.141 -11.234 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.280 4.444 -12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.802 6.081 -13.561 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.106 4.400 -13.170 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.162 2.774 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -0.908 3.070 -15.729 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.139 7.856 -10.144 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.858 8.060 -8.892 1.00 0.00 C ATOM 1456 C ILE A 566 -4.276 7.505 -8.977 1.00 0.00 C ATOM 1457 O ILE A 566 -4.734 6.804 -8.076 1.00 0.00 O ATOM 1458 CB ILE A 566 -2.924 9.552 -8.517 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.612 9.730 -7.162 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.655 10.337 -9.596 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -3.040 8.848 -6.074 1.00 0.00 C ATOM 0 H ILE A 566 -1.695 8.695 -10.517 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.306 7.524 -8.120 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.907 9.938 -8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.528 10.773 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.675 9.515 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.694 11.390 -9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.126 10.232 -10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.669 9.952 -9.702 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.575 9.027 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.148 7.802 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.984 9.079 -5.936 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.966 7.824 -10.068 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.332 7.356 -10.271 1.00 0.00 C ATOM 1475 C ASN A 567 -6.441 5.859 -10.000 1.00 0.00 C ATOM 1476 O ASN A 567 -7.311 5.416 -9.251 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.791 7.662 -11.699 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.291 9.007 -12.191 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -5.095 9.194 -12.410 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -7.209 9.950 -12.365 1.00 0.00 N ATOM 0 H ASN A 567 -4.602 8.404 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 567 -6.978 7.882 -9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.435 6.878 -12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.880 7.645 -11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -6.933 10.876 -12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -8.190 9.749 -12.170 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.552 5.085 -10.615 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.549 3.638 -10.439 1.00 0.00 C ATOM 1489 C GLU A 568 -5.383 3.268 -8.968 1.00 0.00 C ATOM 1490 O GLU A 568 -6.195 2.533 -8.407 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.427 3.004 -11.265 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.442 1.485 -11.248 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.516 0.902 -12.147 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.582 1.537 -12.287 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.289 -0.189 -12.710 1.00 0.00 O ATOM 0 H GLU A 568 -4.825 5.436 -11.239 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.508 3.254 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.508 3.348 -12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.467 3.354 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.468 1.112 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.601 1.138 -10.227 1.00 0.00 H new ATOM 1502 N MET A 569 -4.326 3.784 -8.350 1.00 0.00 N ATOM 1503 CA MET A 569 -4.054 3.509 -6.943 1.00 0.00 C ATOM 1504 C MET A 569 -5.300 3.738 -6.094 1.00 0.00 C ATOM 1505 O MET A 569 -5.705 2.869 -5.321 1.00 0.00 O ATOM 1506 CB MET A 569 -2.910 4.392 -6.441 1.00 0.00 C ATOM 1507 CG MET A 569 -1.627 4.237 -7.240 1.00 0.00 C ATOM 1508 SD MET A 569 -0.220 5.053 -6.461 1.00 0.00 S ATOM 1509 CE MET A 569 0.353 3.762 -5.360 1.00 0.00 C ATOM 0 H MET A 569 -3.644 4.394 -8.800 1.00 0.00 H new ATOM 0 HA MET A 569 -3.762 2.463 -6.852 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.225 5.435 -6.474 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.709 4.153 -5.397 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.405 3.177 -7.362 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.774 4.649 -8.239 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.394 3.947 -5.093 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.258 3.756 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 569 0.272 2.796 -5.859 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.904 4.914 -6.242 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.104 5.257 -5.487 1.00 0.00 C ATOM 1521 C HIS A 570 -8.147 4.148 -5.593 1.00 0.00 C ATOM 1522 O HIS A 570 -8.640 3.646 -4.582 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.691 6.575 -5.993 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.086 6.832 -5.515 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.019 7.529 -6.254 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.708 6.479 -4.366 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.152 7.596 -5.579 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -10.990 6.966 -4.430 1.00 0.00 N ATOM 0 H HIS A 570 -5.582 5.644 -6.877 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.825 5.371 -4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.049 7.396 -5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.684 6.572 -7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.276 5.918 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.057 8.083 -5.910 1.00 0.00 H new ATOM 0 HE2 HIS A 570 -11.702 6.859 -3.707 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.481 3.772 -6.823 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.466 2.723 -7.061 1.00 0.00 C ATOM 1538 C LEU A 571 -9.161 1.488 -6.221 1.00 0.00 C ATOM 1539 O LEU A 571 -10.058 0.899 -5.615 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.495 2.350 -8.545 1.00 0.00 C ATOM 1541 CG LEU A 571 -10.003 3.432 -9.499 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.734 3.039 -10.943 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.488 3.681 -9.280 1.00 0.00 C ATOM 0 H LEU A 571 -8.084 4.178 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.444 3.105 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.486 2.071 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -10.120 1.465 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.465 4.357 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -10.102 3.821 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.662 2.912 -11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.245 2.102 -11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.833 4.454 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -12.042 2.760 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.655 4.008 -8.254 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.891 1.102 -6.186 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.466 -0.063 -5.417 1.00 0.00 C ATOM 1557 C LEU A 572 -7.866 0.076 -3.952 1.00 0.00 C ATOM 1558 O LEU A 572 -8.472 -0.828 -3.375 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.951 -0.248 -5.528 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.389 -0.346 -6.947 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.870 -0.406 -6.916 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.959 -1.562 -7.663 1.00 0.00 C ATOM 0 H LEU A 572 -7.137 1.578 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.964 -0.940 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.465 0.587 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.675 -1.152 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.685 0.547 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.488 -0.476 -7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.480 0.495 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.552 -1.281 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.548 -1.616 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.693 -2.465 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -7.044 -1.477 -7.717 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.527 1.214 -3.357 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.854 1.473 -1.960 1.00 0.00 C ATOM 1576 C ILE A 573 -9.345 1.284 -1.701 1.00 0.00 C ATOM 1577 O ILE A 573 -9.742 0.753 -0.664 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.448 2.898 -1.541 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.944 3.101 -1.737 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.839 3.156 -0.093 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.104 1.980 -1.168 1.00 0.00 C ATOM 0 H ILE A 573 -7.026 1.972 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.290 0.754 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 573 -7.977 3.612 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.734 3.197 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.648 4.040 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.545 4.167 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.918 3.047 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.334 2.438 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.049 2.191 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.285 1.898 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.372 1.042 -1.654 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.165 1.722 -2.651 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.613 1.600 -2.526 1.00 0.00 C ATOM 1595 C GLN A 574 -12.055 0.151 -2.707 1.00 0.00 C ATOM 1596 O GLN A 574 -13.019 -0.295 -2.085 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.312 2.491 -3.554 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.747 3.901 -3.620 1.00 0.00 C ATOM 1599 CD GLN A 574 -11.617 4.543 -2.253 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -10.630 5.219 -1.964 1.00 0.00 O ATOM 1601 NE2 GLN A 574 -12.616 4.334 -1.403 1.00 0.00 N ATOM 0 H GLN A 574 -9.852 2.164 -3.515 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.894 1.924 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.231 2.029 -4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.374 2.545 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.768 3.874 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.391 4.517 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -13.415 3.767 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -12.584 4.741 -0.468 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.345 -0.576 -3.562 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.666 -1.974 -3.826 1.00 0.00 C ATOM 1612 C GLN A 575 -11.506 -2.816 -2.564 1.00 0.00 C ATOM 1613 O GLN A 575 -12.265 -3.757 -2.333 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.770 -2.524 -4.937 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.129 -2.006 -6.320 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.795 -2.995 -7.419 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.574 -3.903 -7.712 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.631 -2.824 -8.036 1.00 0.00 N ATOM 0 H GLN A 575 -10.544 -0.221 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.706 -2.028 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.734 -2.265 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.833 -3.612 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.194 -1.778 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.598 -1.072 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.016 -2.058 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.352 -3.459 -8.784 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.513 -2.472 -1.751 1.00 0.00 N ATOM 1628 CA ALA A 576 -10.254 -3.195 -0.512 1.00 0.00 C ATOM 1629 C ALA A 576 -11.177 -2.719 0.604 1.00 0.00 C ATOM 1630 O ALA A 576 -11.624 -3.511 1.434 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.798 -3.034 -0.100 1.00 0.00 C ATOM 0 H ALA A 576 -9.874 -1.697 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.455 -4.252 -0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.620 -3.579 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -8.152 -3.430 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.578 -1.977 0.053 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.459 -1.420 0.619 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.328 -0.839 1.635 1.00 0.00 C ATOM 1639 C ARG A 577 -13.789 -1.183 1.363 1.00 0.00 C ATOM 1640 O ARG A 577 -14.590 -1.305 2.289 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.150 0.680 1.680 1.00 0.00 C ATOM 1642 CG ARG A 577 -12.428 1.286 3.046 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.847 2.686 3.163 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.548 3.489 4.161 1.00 0.00 N ATOM 1645 CZ ARG A 577 -13.739 4.041 3.956 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -14.357 3.879 2.794 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -14.313 4.758 4.913 1.00 0.00 N ATOM 0 H ARG A 577 -11.098 -0.751 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.048 -1.260 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -11.131 0.927 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -12.815 1.137 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -13.504 1.322 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -12.003 0.649 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.792 2.619 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.902 3.183 2.194 1.00 0.00 H new ATOM 0 HE ARG A 577 -12.099 3.634 5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -13.918 3.330 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -15.271 4.304 2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.840 4.886 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -15.227 5.181 4.754 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.128 -1.337 0.087 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.493 -1.666 -0.306 1.00 0.00 C ATOM 1663 C GLU A 578 -15.935 -2.987 0.317 1.00 0.00 C ATOM 1664 O GLU A 578 -17.064 -3.114 0.791 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.603 -1.746 -1.830 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.988 -0.429 -2.482 1.00 0.00 C ATOM 1667 CD GLU A 578 -16.565 -0.613 -3.873 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -15.900 -1.257 -4.711 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -17.682 -0.112 -4.122 1.00 0.00 O ATOM 0 H GLU A 578 -13.477 -1.239 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.149 -0.875 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.648 -2.078 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -16.343 -2.502 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -16.718 0.083 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.110 0.214 -2.539 1.00 0.00 H new ATOM 1676 N MET A 579 -15.038 -3.967 0.311 1.00 0.00 N ATOM 1677 CA MET A 579 -15.335 -5.278 0.876 1.00 0.00 C ATOM 1678 C MET A 579 -15.390 -5.214 2.399 1.00 0.00 C ATOM 1679 O MET A 579 -14.645 -4.472 3.040 1.00 0.00 O ATOM 1680 CB MET A 579 -14.283 -6.298 0.434 1.00 0.00 C ATOM 1681 CG MET A 579 -12.868 -5.930 0.849 1.00 0.00 C ATOM 1682 SD MET A 579 -11.732 -7.327 0.759 1.00 0.00 S ATOM 1683 CE MET A 579 -12.227 -8.259 2.207 1.00 0.00 C ATOM 0 H MET A 579 -14.100 -3.878 -0.079 1.00 0.00 H new ATOM 0 HA MET A 579 -16.312 -5.592 0.508 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.534 -7.272 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.320 -6.399 -0.651 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.503 -5.128 0.208 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.881 -5.543 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 579 -11.461 -8.998 2.443 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.350 -7.581 3.052 1.00 0.00 H new ATOM 0 HE3 MET A 579 -13.171 -8.766 2.008 1.00 0.00 H new