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= -1.59 K(o=-6.6,f=-8.8!) USER MOD Set 1.2: A 574 GLN : amide:sc= -4.98 K(o=-6.6,f=-15!) USER MOD Set 2.1: A 564 GLN : amide:sc= 0 X(o=0,f=0.066) USER MOD Set 2.2: A 565 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Set 3.1: A 554 CYS SG : rot -103:sc= -2.34! USER MOD Set 3.2: A 555 CYS SG : rot 21:sc= -1.82 USER MOD Single : A 504 THR OG1 : rot 22:sc= 0.142 USER MOD Single : A 505 GLN : amide:sc= 0.39 K(o=0.39,f=-0.65) USER MOD Single : A 506 GLN : amide:sc= -0.532 K(o=-0.53,f=0) USER MOD Single : A 508 THR OG1 : rot 180:sc= 0 USER MOD Single : A 511 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Single : A 519 LYS NZ :NH3+ -138:sc= -0.154 (180deg=-0.609) USER MOD Single : A 520 THR OG1 : rot 180:sc= 0 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= -0.24 K(o=-0.24,f=-2.4!) USER MOD Single : A 535 HIS : no HD1:sc= -3.45 K(o=-3.5,f=-6.1!) USER MOD Single : A 536 MET CE :methyl -156:sc= -0.393 (180deg=-1.1) USER MOD Single : A 537 MET CE :methyl 168:sc= -1.93 (180deg=-2.5!) USER MOD Single : A 539 LYS NZ :NH3+ 162:sc= -0.0969 (180deg=-0.399) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc=-0.00686 X(o=-0.0069,f=-0.31) USER MOD Single : A 556 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.1) USER MOD Single : A 567 ASN : amide:sc= -0.938 K(o=-0.94,f=-0.065) USER MOD Single : A 569 MET CE :methyl 143:sc= -0.828 (180deg=-2.25!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl -128:sc= -0.968 (180deg=-2.97!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.697 -7.431 7.911 1.00 0.00 N ATOM 446 CA THR A 504 -8.315 -7.968 6.706 1.00 0.00 C ATOM 447 C THR A 504 -8.194 -6.990 5.543 1.00 0.00 C ATOM 448 O THR A 504 -7.495 -7.258 4.566 1.00 0.00 O ATOM 449 CB THR A 504 -9.803 -8.294 6.935 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.953 -9.104 8.107 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.390 -9.019 5.733 1.00 0.00 C ATOM 0 HA THR A 504 -7.783 -8.887 6.461 1.00 0.00 H new ATOM 0 HB THR A 504 -10.340 -7.356 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.173 -8.985 8.689 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.441 -9.239 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.301 -8.388 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.848 -9.951 5.570 1.00 0.00 H new ATOM 459 N GLN A 505 -8.879 -5.857 5.656 1.00 0.00 N ATOM 460 CA GLN A 505 -8.847 -4.839 4.613 1.00 0.00 C ATOM 461 C GLN A 505 -7.414 -4.420 4.303 1.00 0.00 C ATOM 462 O GLN A 505 -6.919 -4.637 3.198 1.00 0.00 O ATOM 463 CB GLN A 505 -9.667 -3.618 5.036 1.00 0.00 C ATOM 464 CG GLN A 505 -11.168 -3.855 5.009 1.00 0.00 C ATOM 465 CD GLN A 505 -11.957 -2.660 5.508 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.516 -1.942 6.406 1.00 0.00 O ATOM 467 NE2 GLN A 505 -13.130 -2.440 4.927 1.00 0.00 N ATOM 0 H GLN A 505 -9.462 -5.621 6.459 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.284 -5.267 3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.372 -3.324 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.427 -2.784 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.477 -4.090 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.406 -4.724 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.457 -3.061 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.705 -1.650 5.221 1.00 0.00 H new ATOM 476 N GLN A 506 -6.752 -3.820 5.288 1.00 0.00 N ATOM 477 CA GLN A 506 -5.376 -3.370 5.119 1.00 0.00 C ATOM 478 C GLN A 506 -4.585 -4.350 4.258 1.00 0.00 C ATOM 479 O GLN A 506 -3.864 -3.947 3.344 1.00 0.00 O ATOM 480 CB GLN A 506 -4.699 -3.210 6.482 1.00 0.00 C ATOM 481 CG GLN A 506 -5.386 -2.201 7.387 1.00 0.00 C ATOM 482 CD GLN A 506 -4.804 -2.181 8.787 1.00 0.00 C ATOM 483 OE1 GLN A 506 -5.191 -2.975 9.644 1.00 0.00 O ATOM 484 NE2 GLN A 506 -3.867 -1.271 9.025 1.00 0.00 N ATOM 0 H GLN A 506 -7.147 -3.635 6.210 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.395 -2.404 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.676 -4.178 6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.664 -2.904 6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -5.300 -1.207 6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -6.449 -2.434 7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -3.576 -0.632 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -3.438 -1.210 9.948 1.00 0.00 H new ATOM 493 N LEU A 507 -4.724 -5.637 4.554 1.00 0.00 N ATOM 494 CA LEU A 507 -4.022 -6.675 3.807 1.00 0.00 C ATOM 495 C LEU A 507 -4.448 -6.673 2.342 1.00 0.00 C ATOM 496 O LEU A 507 -3.609 -6.674 1.440 1.00 0.00 O ATOM 497 CB LEU A 507 -4.292 -8.047 4.426 1.00 0.00 C ATOM 498 CG LEU A 507 -3.469 -8.397 5.667 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.125 -9.531 6.440 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.046 -8.768 5.276 1.00 0.00 C ATOM 0 H LEU A 507 -5.317 -5.987 5.307 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.954 -6.465 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.349 -8.104 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.110 -8.808 3.667 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.430 -7.520 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.526 -9.766 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.124 -9.228 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.196 -10.412 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.475 -9.014 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.065 -9.630 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.577 -7.926 4.767 1.00 0.00 H new ATOM 512 N THR A 508 -5.757 -6.667 2.111 1.00 0.00 N ATOM 513 CA THR A 508 -6.294 -6.664 0.756 1.00 0.00 C ATOM 514 C THR A 508 -5.615 -5.603 -0.102 1.00 0.00 C ATOM 515 O THR A 508 -5.133 -5.891 -1.196 1.00 0.00 O ATOM 516 CB THR A 508 -7.814 -6.413 0.755 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.468 -7.364 1.602 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.377 -6.509 -0.654 1.00 0.00 C ATOM 0 H THR A 508 -6.465 -6.664 2.845 1.00 0.00 H new ATOM 0 HA THR A 508 -6.095 -7.650 0.335 1.00 0.00 H new ATOM 0 HB THR A 508 -7.994 -5.407 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.434 -7.197 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.452 -6.328 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 508 -7.898 -5.764 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.186 -7.504 -1.055 1.00 0.00 H new ATOM 526 N ALA A 509 -5.580 -4.374 0.403 1.00 0.00 N ATOM 527 CA ALA A 509 -4.956 -3.270 -0.317 1.00 0.00 C ATOM 528 C ALA A 509 -3.467 -3.522 -0.525 1.00 0.00 C ATOM 529 O ALA A 509 -2.918 -3.216 -1.584 1.00 0.00 O ATOM 530 CB ALA A 509 -5.173 -1.963 0.431 1.00 0.00 C ATOM 0 H ALA A 509 -5.976 -4.118 1.307 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.425 -3.197 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.702 -1.147 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.242 -1.769 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.731 -2.035 1.425 1.00 0.00 H new ATOM 536 N PHE A 510 -2.818 -4.081 0.491 1.00 0.00 N ATOM 537 CA PHE A 510 -1.391 -4.373 0.419 1.00 0.00 C ATOM 538 C PHE A 510 -1.062 -5.172 -0.838 1.00 0.00 C ATOM 539 O PHE A 510 -0.119 -4.851 -1.561 1.00 0.00 O ATOM 540 CB PHE A 510 -0.944 -5.146 1.661 1.00 0.00 C ATOM 541 CG PHE A 510 0.545 -5.323 1.754 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.396 -4.243 1.584 1.00 0.00 C ATOM 543 CD2 PHE A 510 1.093 -6.569 2.011 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.766 -4.403 1.668 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.462 -6.735 2.096 1.00 0.00 C ATOM 546 CZ PHE A 510 3.300 -5.650 1.925 1.00 0.00 C ATOM 0 H PHE A 510 -3.258 -4.341 1.374 1.00 0.00 H new ATOM 0 HA PHE A 510 -0.853 -3.426 0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.296 -4.623 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.419 -6.127 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 510 0.984 -3.265 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 510 0.443 -7.421 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.419 -3.553 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.877 -7.712 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.370 -5.777 1.992 1.00 0.00 H new ATOM 556 N GLN A 511 -1.846 -6.216 -1.091 1.00 0.00 N ATOM 557 CA GLN A 511 -1.637 -7.062 -2.259 1.00 0.00 C ATOM 558 C GLN A 511 -1.955 -6.305 -3.544 1.00 0.00 C ATOM 559 O GLN A 511 -1.202 -6.369 -4.517 1.00 0.00 O ATOM 560 CB GLN A 511 -2.504 -8.319 -2.166 1.00 0.00 C ATOM 561 CG GLN A 511 -1.823 -9.478 -1.457 1.00 0.00 C ATOM 562 CD GLN A 511 -2.809 -10.407 -0.777 1.00 0.00 C ATOM 563 OE1 GLN A 511 -3.976 -10.063 -0.590 1.00 0.00 O ATOM 564 NE2 GLN A 511 -2.343 -11.594 -0.404 1.00 0.00 N ATOM 0 H GLN A 511 -2.631 -6.495 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.587 -7.354 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -3.427 -8.075 -1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -2.783 -8.633 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -1.234 -10.045 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -1.127 -9.087 -0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -1.368 -11.837 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -2.960 -12.262 0.057 1.00 0.00 H new ATOM 573 N LEU A 512 -3.073 -5.588 -3.541 1.00 0.00 N ATOM 574 CA LEU A 512 -3.491 -4.818 -4.708 1.00 0.00 C ATOM 575 C LEU A 512 -2.375 -3.889 -5.175 1.00 0.00 C ATOM 576 O LEU A 512 -2.081 -3.806 -6.369 1.00 0.00 O ATOM 577 CB LEU A 512 -4.745 -4.004 -4.383 1.00 0.00 C ATOM 578 CG LEU A 512 -6.007 -4.810 -4.071 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.111 -3.897 -3.562 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.469 -5.574 -5.303 1.00 0.00 C ATOM 0 H LEU A 512 -3.706 -5.523 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 512 -3.717 -5.517 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.527 -3.364 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -4.957 -3.348 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 512 -5.771 -5.531 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.001 -4.488 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -6.778 -3.395 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.346 -3.152 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.368 -6.142 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.688 -4.871 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -5.683 -6.258 -5.623 1.00 0.00 H new ATOM 592 N LEU A 513 -1.755 -3.194 -4.228 1.00 0.00 N ATOM 593 CA LEU A 513 -0.669 -2.273 -4.543 1.00 0.00 C ATOM 594 C LEU A 513 0.525 -3.018 -5.130 1.00 0.00 C ATOM 595 O LEU A 513 1.028 -2.663 -6.196 1.00 0.00 O ATOM 596 CB LEU A 513 -0.241 -1.511 -3.287 1.00 0.00 C ATOM 597 CG LEU A 513 -1.255 -0.511 -2.730 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.858 -0.072 -1.330 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.380 0.693 -3.653 1.00 0.00 C ATOM 0 H LEU A 513 -1.986 -3.251 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.032 -1.563 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.010 -2.237 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.683 -0.976 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.226 -1.002 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.591 0.639 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.821 -0.941 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.124 0.401 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.106 1.394 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.411 1.185 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.712 0.364 -4.637 1.00 0.00 H new ATOM 611 N PHE A 514 0.972 -4.055 -4.429 1.00 0.00 N ATOM 612 CA PHE A 514 2.106 -4.852 -4.882 1.00 0.00 C ATOM 613 C PHE A 514 1.952 -5.231 -6.352 1.00 0.00 C ATOM 614 O PHE A 514 2.779 -4.866 -7.188 1.00 0.00 O ATOM 615 CB PHE A 514 2.241 -6.116 -4.030 1.00 0.00 C ATOM 616 CG PHE A 514 3.648 -6.635 -3.946 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.501 -6.203 -2.944 1.00 0.00 C ATOM 618 CD2 PHE A 514 4.117 -7.555 -4.870 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.797 -6.679 -2.865 1.00 0.00 C ATOM 620 CE2 PHE A 514 5.411 -8.034 -4.797 1.00 0.00 C ATOM 621 CZ PHE A 514 6.252 -7.596 -3.792 1.00 0.00 C ATOM 0 H PHE A 514 0.566 -4.363 -3.545 1.00 0.00 H new ATOM 0 HA PHE A 514 3.008 -4.250 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.879 -5.906 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.599 -6.894 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.150 -5.486 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 514 3.463 -7.902 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.453 -6.334 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 514 5.765 -8.750 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 514 7.263 -7.970 -3.732 1.00 0.00 H new ATOM 631 N ALA A 515 0.888 -5.965 -6.659 1.00 0.00 N ATOM 632 CA ALA A 515 0.624 -6.393 -8.028 1.00 0.00 C ATOM 633 C ALA A 515 0.676 -5.212 -8.991 1.00 0.00 C ATOM 634 O ALA A 515 1.309 -5.286 -10.045 1.00 0.00 O ATOM 635 CB ALA A 515 -0.727 -7.087 -8.113 1.00 0.00 C ATOM 0 H ALA A 515 0.195 -6.276 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 515 1.401 -7.100 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -0.911 -7.401 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -0.729 -7.960 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.511 -6.398 -7.799 1.00 0.00 H new ATOM 641 N TRP A 516 0.007 -4.125 -8.624 1.00 0.00 N ATOM 642 CA TRP A 516 -0.023 -2.929 -9.458 1.00 0.00 C ATOM 643 C TRP A 516 1.388 -2.422 -9.733 1.00 0.00 C ATOM 644 O TRP A 516 1.733 -2.106 -10.872 1.00 0.00 O ATOM 645 CB TRP A 516 -0.849 -1.833 -8.783 1.00 0.00 C ATOM 646 CG TRP A 516 -0.634 -0.475 -9.378 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.301 0.071 -10.438 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.314 0.509 -8.950 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.824 1.334 -10.694 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.166 1.626 -9.794 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.273 0.555 -7.934 1.00 0.00 C ATOM 652 CZ2 TRP A 516 0.942 2.774 -9.653 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.042 1.694 -7.795 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.873 2.791 -8.650 1.00 0.00 C ATOM 0 H TRP A 516 -0.522 -4.047 -7.755 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.487 -3.191 -10.409 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -1.906 -2.089 -8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.599 -1.801 -7.723 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.088 -0.418 -10.993 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -1.154 1.953 -11.434 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.410 -0.285 -7.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.814 3.620 -10.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.786 1.740 -7.014 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.490 3.667 -8.515 1.00 0.00 H new ATOM 665 N ARG A 517 2.201 -2.346 -8.684 1.00 0.00 N ATOM 666 CA ARG A 517 3.575 -1.876 -8.814 1.00 0.00 C ATOM 667 C ARG A 517 4.320 -2.665 -9.886 1.00 0.00 C ATOM 668 O ARG A 517 5.021 -2.091 -10.719 1.00 0.00 O ATOM 669 CB ARG A 517 4.306 -1.996 -7.476 1.00 0.00 C ATOM 670 CG ARG A 517 5.780 -1.635 -7.553 1.00 0.00 C ATOM 671 CD ARG A 517 6.455 -1.756 -6.196 1.00 0.00 C ATOM 672 NE ARG A 517 6.419 -3.124 -5.687 1.00 0.00 N ATOM 673 CZ ARG A 517 7.242 -3.582 -4.749 1.00 0.00 C ATOM 674 NH1 ARG A 517 8.160 -2.784 -4.221 1.00 0.00 N ATOM 675 NH2 ARG A 517 7.147 -4.840 -4.338 1.00 0.00 N ATOM 0 H ARG A 517 1.932 -2.604 -7.735 1.00 0.00 H new ATOM 0 HA ARG A 517 3.548 -0.828 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.820 -1.348 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.210 -3.018 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.279 -2.289 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.887 -0.616 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 517 7.491 -1.426 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.963 -1.092 -5.486 1.00 0.00 H new ATOM 0 HE ARG A 517 5.724 -3.763 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 517 8.236 -1.816 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 517 8.790 -3.138 -3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 517 6.442 -5.457 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 517 7.779 -5.190 -3.618 1.00 0.00 H new ATOM 689 N ASP A 518 4.164 -3.984 -9.858 1.00 0.00 N ATOM 690 CA ASP A 518 4.822 -4.853 -10.828 1.00 0.00 C ATOM 691 C ASP A 518 4.356 -4.536 -12.245 1.00 0.00 C ATOM 692 O ASP A 518 5.168 -4.283 -13.135 1.00 0.00 O ATOM 693 CB ASP A 518 4.541 -6.321 -10.502 1.00 0.00 C ATOM 694 CG ASP A 518 4.772 -7.232 -11.691 1.00 0.00 C ATOM 695 OD1 ASP A 518 5.897 -7.227 -12.234 1.00 0.00 O ATOM 696 OD2 ASP A 518 3.828 -7.951 -12.079 1.00 0.00 O ATOM 0 H ASP A 518 3.588 -4.475 -9.174 1.00 0.00 H new ATOM 0 HA ASP A 518 5.896 -4.675 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 518 5.180 -6.636 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.510 -6.424 -10.164 1.00 0.00 H new ATOM 701 N LYS A 519 3.043 -4.551 -12.448 1.00 0.00 N ATOM 702 CA LYS A 519 2.467 -4.265 -13.757 1.00 0.00 C ATOM 703 C LYS A 519 3.053 -2.984 -14.341 1.00 0.00 C ATOM 704 O LYS A 519 3.700 -3.005 -15.389 1.00 0.00 O ATOM 705 CB LYS A 519 0.945 -4.142 -13.652 1.00 0.00 C ATOM 706 CG LYS A 519 0.263 -3.883 -14.984 1.00 0.00 C ATOM 707 CD LYS A 519 0.140 -2.395 -15.268 1.00 0.00 C ATOM 708 CE LYS A 519 -0.896 -1.740 -14.367 1.00 0.00 C ATOM 709 NZ LYS A 519 -2.236 -2.374 -14.510 1.00 0.00 N ATOM 0 H LYS A 519 2.357 -4.758 -11.722 1.00 0.00 H new ATOM 0 HA LYS A 519 2.713 -5.092 -14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.544 -5.059 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.701 -3.332 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.830 -4.361 -15.783 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -0.728 -4.337 -14.981 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.107 -1.914 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.136 -2.244 -16.312 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -0.570 -1.809 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.968 -0.679 -14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -2.969 -1.636 -14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.270 -2.919 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.407 -3.011 -13.705 1.00 0.00 H new ATOM 723 N THR A 520 2.823 -1.868 -13.656 1.00 0.00 N ATOM 724 CA THR A 520 3.328 -0.577 -14.106 1.00 0.00 C ATOM 725 C THR A 520 4.852 -0.568 -14.151 1.00 0.00 C ATOM 726 O THR A 520 5.452 -0.004 -15.065 1.00 0.00 O ATOM 727 CB THR A 520 2.846 0.565 -13.192 1.00 0.00 C ATOM 728 OG1 THR A 520 1.421 0.687 -13.271 1.00 0.00 O ATOM 729 CG2 THR A 520 3.496 1.883 -13.584 1.00 0.00 C ATOM 0 H THR A 520 2.290 -1.833 -12.787 1.00 0.00 H new ATOM 0 HA THR A 520 2.936 -0.418 -15.111 1.00 0.00 H new ATOM 0 HB THR A 520 3.134 0.327 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.122 1.414 -12.686 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.140 2.675 -12.924 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.579 1.795 -13.495 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.235 2.125 -14.614 1.00 0.00 H new ATOM 737 N ALA A 521 5.472 -1.197 -13.157 1.00 0.00 N ATOM 738 CA ALA A 521 6.927 -1.263 -13.085 1.00 0.00 C ATOM 739 C ALA A 521 7.525 -1.667 -14.428 1.00 0.00 C ATOM 740 O ALA A 521 8.430 -1.007 -14.939 1.00 0.00 O ATOM 741 CB ALA A 521 7.357 -2.237 -11.999 1.00 0.00 C ATOM 0 H ALA A 521 4.990 -1.668 -12.391 1.00 0.00 H new ATOM 0 HA ALA A 521 7.300 -0.270 -12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.445 -2.277 -11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 521 6.968 -1.904 -11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.966 -3.229 -12.225 1.00 0.00 H new ATOM 747 N ARG A 522 7.014 -2.755 -14.995 1.00 0.00 N ATOM 748 CA ARG A 522 7.500 -3.248 -16.278 1.00 0.00 C ATOM 749 C ARG A 522 7.132 -2.287 -17.405 1.00 0.00 C ATOM 750 O ARG A 522 7.961 -1.966 -18.256 1.00 0.00 O ATOM 751 CB ARG A 522 6.923 -4.635 -16.567 1.00 0.00 C ATOM 752 CG ARG A 522 7.679 -5.764 -15.885 1.00 0.00 C ATOM 753 CD ARG A 522 7.120 -6.050 -14.499 1.00 0.00 C ATOM 754 NE ARG A 522 5.712 -6.434 -14.546 1.00 0.00 N ATOM 755 CZ ARG A 522 5.288 -7.624 -14.959 1.00 0.00 C ATOM 756 NH1 ARG A 522 6.160 -8.539 -15.359 1.00 0.00 N ATOM 757 NH2 ARG A 522 3.990 -7.899 -14.972 1.00 0.00 N ATOM 0 H ARG A 522 6.264 -3.312 -14.586 1.00 0.00 H new ATOM 0 HA ARG A 522 8.586 -3.318 -16.224 1.00 0.00 H new ATOM 0 HB2 ARG A 522 5.882 -4.660 -16.245 1.00 0.00 H new ATOM 0 HB3 ARG A 522 6.928 -4.804 -17.644 1.00 0.00 H new ATOM 0 HG2 ARG A 522 7.619 -6.665 -16.496 1.00 0.00 H new ATOM 0 HG3 ARG A 522 8.734 -5.502 -15.806 1.00 0.00 H new ATOM 0 HD2 ARG A 522 7.698 -6.848 -14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 522 7.234 -5.165 -13.872 1.00 0.00 H new ATOM 0 HE ARG A 522 5.016 -5.752 -14.245 1.00 0.00 H new ATOM 0 HH11 ARG A 522 7.158 -8.330 -15.350 1.00 0.00 H new ATOM 0 HH12 ARG A 522 5.833 -9.452 -15.676 1.00 0.00 H new ATOM 0 HH21 ARG A 522 3.317 -7.197 -14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 522 3.665 -8.812 -15.289 1.00 0.00 H new ATOM 771 N ARG A 523 5.883 -1.833 -17.403 1.00 0.00 N ATOM 772 CA ARG A 523 5.404 -0.910 -18.425 1.00 0.00 C ATOM 773 C ARG A 523 6.316 0.309 -18.527 1.00 0.00 C ATOM 774 O ARG A 523 6.650 0.756 -19.623 1.00 0.00 O ATOM 775 CB ARG A 523 3.974 -0.467 -18.113 1.00 0.00 C ATOM 776 CG ARG A 523 3.403 0.508 -19.129 1.00 0.00 C ATOM 777 CD ARG A 523 2.829 -0.218 -20.336 1.00 0.00 C ATOM 778 NE ARG A 523 3.831 -0.420 -21.380 1.00 0.00 N ATOM 779 CZ ARG A 523 4.207 0.529 -22.230 1.00 0.00 C ATOM 780 NH1 ARG A 523 3.669 1.739 -22.159 1.00 0.00 N ATOM 781 NH2 ARG A 523 5.125 0.269 -23.153 1.00 0.00 N ATOM 0 H ARG A 523 5.185 -2.089 -16.705 1.00 0.00 H new ATOM 0 HA ARG A 523 5.414 -1.431 -19.383 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.332 -1.347 -18.066 1.00 0.00 H new ATOM 0 HB3 ARG A 523 3.953 -0.004 -17.126 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.624 1.109 -18.660 1.00 0.00 H new ATOM 0 HG3 ARG A 523 4.184 1.196 -19.454 1.00 0.00 H new ATOM 0 HD2 ARG A 523 2.431 -1.184 -20.023 1.00 0.00 H new ATOM 0 HD3 ARG A 523 1.994 0.355 -20.740 1.00 0.00 H new ATOM 0 HE ARG A 523 4.265 -1.339 -21.460 1.00 0.00 H new ATOM 0 HH11 ARG A 523 2.964 1.943 -21.450 1.00 0.00 H new ATOM 0 HH12 ARG A 523 3.960 2.466 -22.813 1.00 0.00 H new ATOM 0 HH21 ARG A 523 5.542 -0.660 -23.210 1.00 0.00 H new ATOM 0 HH22 ARG A 523 5.413 0.998 -23.805 1.00 0.00 H new ATOM 795 N GLU A 524 6.712 0.843 -17.375 1.00 0.00 N ATOM 796 CA GLU A 524 7.584 2.011 -17.336 1.00 0.00 C ATOM 797 C GLU A 524 9.041 1.611 -17.548 1.00 0.00 C ATOM 798 O GLU A 524 9.938 2.453 -17.516 1.00 0.00 O ATOM 799 CB GLU A 524 7.434 2.742 -16.000 1.00 0.00 C ATOM 800 CG GLU A 524 6.170 3.581 -15.903 1.00 0.00 C ATOM 801 CD GLU A 524 6.126 4.690 -16.936 1.00 0.00 C ATOM 802 OE1 GLU A 524 6.969 5.607 -16.859 1.00 0.00 O ATOM 803 OE2 GLU A 524 5.247 4.640 -17.822 1.00 0.00 O ATOM 0 H GLU A 524 6.443 0.486 -16.458 1.00 0.00 H new ATOM 0 HA GLU A 524 7.288 2.680 -18.144 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.437 2.010 -15.193 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.300 3.386 -15.849 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.300 2.937 -16.030 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.102 4.016 -14.906 1.00 0.00 H new ATOM 810 N ASP A 525 9.268 0.320 -17.764 1.00 0.00 N ATOM 811 CA ASP A 525 10.615 -0.193 -17.982 1.00 0.00 C ATOM 812 C ASP A 525 11.544 0.215 -16.842 1.00 0.00 C ATOM 813 O ASP A 525 12.670 0.653 -17.074 1.00 0.00 O ATOM 814 CB ASP A 525 11.169 0.316 -19.314 1.00 0.00 C ATOM 815 CG ASP A 525 12.393 -0.456 -19.765 1.00 0.00 C ATOM 816 OD1 ASP A 525 12.448 -1.680 -19.520 1.00 0.00 O ATOM 817 OD2 ASP A 525 13.297 0.164 -20.364 1.00 0.00 O ATOM 0 H ASP A 525 8.536 -0.390 -17.793 1.00 0.00 H new ATOM 0 HA ASP A 525 10.561 -1.281 -18.012 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.395 0.243 -20.078 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.424 1.372 -19.219 1.00 0.00 H new ATOM 822 N GLU A 526 11.061 0.070 -15.612 1.00 0.00 N ATOM 823 CA GLU A 526 11.848 0.426 -14.437 1.00 0.00 C ATOM 824 C GLU A 526 11.752 -0.659 -13.369 1.00 0.00 C ATOM 825 O GLU A 526 10.930 -1.570 -13.466 1.00 0.00 O ATOM 826 CB GLU A 526 11.374 1.764 -13.865 1.00 0.00 C ATOM 827 CG GLU A 526 12.096 2.966 -14.449 1.00 0.00 C ATOM 828 CD GLU A 526 13.437 3.220 -13.789 1.00 0.00 C ATOM 829 OE1 GLU A 526 14.311 2.331 -13.862 1.00 0.00 O ATOM 830 OE2 GLU A 526 13.612 4.306 -13.198 1.00 0.00 O ATOM 0 H GLU A 526 10.130 -0.291 -15.403 1.00 0.00 H new ATOM 0 HA GLU A 526 12.890 0.519 -14.743 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.305 1.869 -14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 526 11.513 1.757 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 526 12.245 2.811 -15.518 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.468 3.850 -14.339 1.00 0.00 H new ATOM 837 N SER A 527 12.599 -0.556 -12.350 1.00 0.00 N ATOM 838 CA SER A 527 12.614 -1.530 -11.266 1.00 0.00 C ATOM 839 C SER A 527 11.351 -1.417 -10.417 1.00 0.00 C ATOM 840 O SER A 527 10.617 -0.433 -10.504 1.00 0.00 O ATOM 841 CB SER A 527 13.851 -1.330 -10.388 1.00 0.00 C ATOM 842 OG SER A 527 13.766 -0.121 -9.654 1.00 0.00 O ATOM 0 H SER A 527 13.284 0.193 -12.253 1.00 0.00 H new ATOM 0 HA SER A 527 12.648 -2.526 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 527 13.952 -2.170 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.745 -1.318 -11.011 1.00 0.00 H new ATOM 0 HG SER A 527 14.568 -0.018 -9.100 1.00 0.00 H new ATOM 848 N TYR A 528 11.105 -2.432 -9.596 1.00 0.00 N ATOM 849 CA TYR A 528 9.931 -2.450 -8.733 1.00 0.00 C ATOM 850 C TYR A 528 10.049 -1.401 -7.631 1.00 0.00 C ATOM 851 O TYR A 528 9.184 -0.539 -7.483 1.00 0.00 O ATOM 852 CB TYR A 528 9.746 -3.837 -8.115 1.00 0.00 C ATOM 853 CG TYR A 528 9.590 -4.939 -9.137 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.543 -4.922 -10.052 1.00 0.00 C ATOM 855 CD2 TYR A 528 10.487 -5.999 -9.189 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.396 -5.927 -10.987 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.348 -7.008 -10.123 1.00 0.00 C ATOM 858 CZ TYR A 528 9.301 -6.968 -11.019 1.00 0.00 C ATOM 859 OH TYR A 528 9.158 -7.972 -11.950 1.00 0.00 O ATOM 0 H TYR A 528 11.704 -3.253 -9.510 1.00 0.00 H new ATOM 0 HA TYR A 528 9.060 -2.213 -9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 528 10.604 -4.060 -7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 528 8.867 -3.824 -7.470 1.00 0.00 H new ATOM 0 HD1 TYR A 528 7.833 -4.109 -10.031 1.00 0.00 H new ATOM 0 HD2 TYR A 528 11.307 -6.035 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.577 -5.899 -11.690 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.056 -7.823 -10.151 1.00 0.00 H new ATOM 0 HH TYR A 528 9.878 -8.627 -11.838 1.00 0.00 H new ATOM 869 N GLY A 529 11.129 -1.483 -6.859 1.00 0.00 N ATOM 870 CA GLY A 529 11.342 -0.536 -5.780 1.00 0.00 C ATOM 871 C GLY A 529 11.140 0.901 -6.221 1.00 0.00 C ATOM 872 O GLY A 529 10.330 1.626 -5.643 1.00 0.00 O ATOM 0 H GLY A 529 11.859 -2.188 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 529 10.657 -0.762 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.353 -0.655 -5.391 1.00 0.00 H new ATOM 876 N TYR A 530 11.879 1.313 -7.245 1.00 0.00 N ATOM 877 CA TYR A 530 11.780 2.673 -7.760 1.00 0.00 C ATOM 878 C TYR A 530 10.328 3.142 -7.785 1.00 0.00 C ATOM 879 O TYR A 530 10.010 4.241 -7.329 1.00 0.00 O ATOM 880 CB TYR A 530 12.377 2.754 -9.165 1.00 0.00 C ATOM 881 CG TYR A 530 11.915 3.960 -9.952 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.398 5.230 -9.662 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.995 3.829 -10.985 1.00 0.00 C ATOM 884 CE1 TYR A 530 11.978 6.334 -10.377 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.570 4.928 -11.706 1.00 0.00 C ATOM 886 CZ TYR A 530 11.064 6.178 -11.399 1.00 0.00 C ATOM 887 OH TYR A 530 10.643 7.275 -12.114 1.00 0.00 O ATOM 0 H TYR A 530 12.553 0.725 -7.735 1.00 0.00 H new ATOM 0 HA TYR A 530 12.343 3.327 -7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.464 2.776 -9.088 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.115 1.850 -9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.114 5.356 -8.864 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.606 2.851 -11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.363 7.314 -10.138 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.854 4.809 -12.506 1.00 0.00 H new ATOM 0 HH TYR A 530 10.000 6.993 -12.798 1.00 0.00 H new ATOM 897 N VAL A 531 9.450 2.300 -8.321 1.00 0.00 N ATOM 898 CA VAL A 531 8.031 2.625 -8.404 1.00 0.00 C ATOM 899 C VAL A 531 7.456 2.936 -7.027 1.00 0.00 C ATOM 900 O VAL A 531 7.077 4.072 -6.742 1.00 0.00 O ATOM 901 CB VAL A 531 7.228 1.472 -9.036 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.739 1.785 -9.016 1.00 0.00 C ATOM 903 CG2 VAL A 531 7.706 1.206 -10.455 1.00 0.00 C ATOM 0 H VAL A 531 9.697 1.387 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 531 7.945 3.508 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 531 7.393 0.570 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.188 0.960 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.410 1.922 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.551 2.698 -9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.128 0.389 -10.886 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.571 2.104 -11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 531 8.762 0.935 -10.439 1.00 0.00 H new ATOM 913 N LEU A 532 7.395 1.918 -6.175 1.00 0.00 N ATOM 914 CA LEU A 532 6.866 2.082 -4.825 1.00 0.00 C ATOM 915 C LEU A 532 7.606 1.184 -3.838 1.00 0.00 C ATOM 916 O LEU A 532 7.613 -0.041 -3.960 1.00 0.00 O ATOM 917 CB LEU A 532 5.370 1.764 -4.800 1.00 0.00 C ATOM 918 CG LEU A 532 4.596 2.277 -3.585 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.548 3.797 -3.585 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.189 1.697 -3.566 1.00 0.00 C ATOM 0 H LEU A 532 7.705 0.971 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 532 7.015 3.120 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 532 4.915 2.181 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.248 0.682 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 532 5.115 1.951 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.993 4.144 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.563 4.193 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 532 4.053 4.145 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.652 2.073 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.661 1.993 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.244 0.610 -3.517 1.00 0.00 H new ATOM 932 N PRO A 533 8.242 1.806 -2.834 1.00 0.00 N ATOM 933 CA PRO A 533 8.993 1.082 -1.804 1.00 0.00 C ATOM 934 C PRO A 533 8.083 0.293 -0.870 1.00 0.00 C ATOM 935 O PRO A 533 6.860 0.349 -0.986 1.00 0.00 O ATOM 936 CB PRO A 533 9.709 2.197 -1.038 1.00 0.00 C ATOM 937 CG PRO A 533 8.864 3.405 -1.249 1.00 0.00 C ATOM 938 CD PRO A 533 8.275 3.263 -2.626 1.00 0.00 C ATOM 0 HA PRO A 533 9.667 0.342 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.797 1.956 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.720 2.350 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.080 3.470 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.458 4.315 -1.171 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.278 3.700 -2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 533 8.886 3.763 -3.378 1.00 0.00 H new ATOM 946 N ASN A 534 8.689 -0.443 0.057 1.00 0.00 N ATOM 947 CA ASN A 534 7.932 -1.244 1.012 1.00 0.00 C ATOM 948 C ASN A 534 7.251 -0.356 2.048 1.00 0.00 C ATOM 949 O ASN A 534 6.026 -0.365 2.182 1.00 0.00 O ATOM 950 CB ASN A 534 8.852 -2.247 1.710 1.00 0.00 C ATOM 951 CG ASN A 534 9.417 -3.278 0.752 1.00 0.00 C ATOM 952 OD1 ASN A 534 9.846 -2.945 -0.353 1.00 0.00 O ATOM 953 ND2 ASN A 534 9.420 -4.538 1.172 1.00 0.00 N ATOM 0 H ASN A 534 9.701 -0.501 0.167 1.00 0.00 H new ATOM 0 HA ASN A 534 7.163 -1.787 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.672 -1.712 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 534 8.299 -2.754 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 534 9.788 -5.275 0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 534 9.054 -4.768 2.096 1.00 0.00 H new ATOM 960 N HIS A 535 8.052 0.412 2.780 1.00 0.00 N ATOM 961 CA HIS A 535 7.526 1.308 3.804 1.00 0.00 C ATOM 962 C HIS A 535 6.323 2.086 3.280 1.00 0.00 C ATOM 963 O HIS A 535 5.255 2.081 3.892 1.00 0.00 O ATOM 964 CB HIS A 535 8.613 2.279 4.268 1.00 0.00 C ATOM 965 CG HIS A 535 9.384 2.898 3.143 1.00 0.00 C ATOM 966 ND1 HIS A 535 8.989 4.056 2.508 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.534 2.514 2.541 1.00 0.00 C ATOM 968 CE1 HIS A 535 9.861 4.357 1.563 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.809 3.437 1.563 1.00 0.00 N ATOM 0 H HIS A 535 9.067 0.432 2.683 1.00 0.00 H new ATOM 0 HA HIS A 535 7.203 0.702 4.651 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.153 3.070 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.305 1.750 4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.125 1.644 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 535 9.808 5.210 0.903 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.615 3.416 0.938 1.00 0.00 H new ATOM 977 N MET A 536 6.504 2.753 2.145 1.00 0.00 N ATOM 978 CA MET A 536 5.432 3.534 1.539 1.00 0.00 C ATOM 979 C MET A 536 4.224 2.655 1.233 1.00 0.00 C ATOM 980 O MET A 536 3.116 2.922 1.698 1.00 0.00 O ATOM 981 CB MET A 536 5.925 4.208 0.257 1.00 0.00 C ATOM 982 CG MET A 536 4.957 5.240 -0.298 1.00 0.00 C ATOM 983 SD MET A 536 5.736 6.358 -1.479 1.00 0.00 S ATOM 984 CE MET A 536 6.874 7.238 -0.412 1.00 0.00 C ATOM 0 H MET A 536 7.382 2.768 1.627 1.00 0.00 H new ATOM 0 HA MET A 536 5.129 4.302 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.883 4.690 0.455 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.102 3.444 -0.500 1.00 0.00 H new ATOM 0 HG2 MET A 536 4.125 4.729 -0.782 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.539 5.820 0.525 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.109 8.207 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 536 6.416 7.385 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.790 6.658 -0.300 1.00 0.00 H new ATOM 994 N MET A 537 4.445 1.605 0.448 1.00 0.00 N ATOM 995 CA MET A 537 3.374 0.686 0.081 1.00 0.00 C ATOM 996 C MET A 537 2.522 0.332 1.296 1.00 0.00 C ATOM 997 O MET A 537 1.294 0.282 1.213 1.00 0.00 O ATOM 998 CB MET A 537 3.954 -0.587 -0.538 1.00 0.00 C ATOM 999 CG MET A 537 2.924 -1.429 -1.273 1.00 0.00 C ATOM 1000 SD MET A 537 3.318 -3.189 -1.243 1.00 0.00 S ATOM 1001 CE MET A 537 5.032 -3.161 -1.760 1.00 0.00 C ATOM 0 H MET A 537 5.356 1.370 0.054 1.00 0.00 H new ATOM 0 HA MET A 537 2.740 1.182 -0.654 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.750 -0.314 -1.231 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.409 -1.189 0.249 1.00 0.00 H new ATOM 0 HG2 MET A 537 1.944 -1.272 -0.823 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.857 -1.093 -2.308 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.480 -4.140 -1.588 1.00 0.00 H new ATOM 0 HE2 MET A 537 5.088 -2.917 -2.821 1.00 0.00 H new ATOM 0 HE3 MET A 537 5.573 -2.409 -1.186 1.00 0.00 H new ATOM 1011 N LEU A 538 3.180 0.086 2.423 1.00 0.00 N ATOM 1012 CA LEU A 538 2.483 -0.264 3.656 1.00 0.00 C ATOM 1013 C LEU A 538 1.694 0.926 4.192 1.00 0.00 C ATOM 1014 O LEU A 538 0.471 0.865 4.326 1.00 0.00 O ATOM 1015 CB LEU A 538 3.481 -0.745 4.711 1.00 0.00 C ATOM 1016 CG LEU A 538 3.956 -2.192 4.573 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.164 -2.444 5.463 1.00 0.00 C ATOM 1018 CD2 LEU A 538 2.831 -3.158 4.913 1.00 0.00 C ATOM 0 H LEU A 538 4.196 0.122 2.509 1.00 0.00 H new ATOM 0 HA LEU A 538 1.784 -1.070 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.354 -0.093 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.026 -0.625 5.694 1.00 0.00 H new ATOM 0 HG LEU A 538 4.251 -2.360 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.488 -3.479 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 538 5.975 -1.776 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 538 4.895 -2.258 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.188 -4.183 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.505 -2.990 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 538 1.994 -2.995 4.234 1.00 0.00 H new ATOM 1030 N LYS A 539 2.400 2.010 4.496 1.00 0.00 N ATOM 1031 CA LYS A 539 1.767 3.217 5.014 1.00 0.00 C ATOM 1032 C LYS A 539 0.431 3.470 4.322 1.00 0.00 C ATOM 1033 O LYS A 539 -0.568 3.773 4.975 1.00 0.00 O ATOM 1034 CB LYS A 539 2.689 4.423 4.823 1.00 0.00 C ATOM 1035 CG LYS A 539 2.241 5.658 5.586 1.00 0.00 C ATOM 1036 CD LYS A 539 3.320 6.727 5.600 1.00 0.00 C ATOM 1037 CE LYS A 539 2.925 7.906 6.476 1.00 0.00 C ATOM 1038 NZ LYS A 539 2.722 7.500 7.894 1.00 0.00 N ATOM 0 H LYS A 539 3.412 2.077 4.392 1.00 0.00 H new ATOM 0 HA LYS A 539 1.583 3.073 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.696 4.154 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.745 4.663 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.336 6.060 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.988 5.382 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 539 4.254 6.298 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 539 3.504 7.073 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 539 3.699 8.672 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 539 2.008 8.353 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 2.757 8.341 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 1.795 7.038 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 3.472 6.836 8.176 1.00 0.00 H new ATOM 1052 N ILE A 540 0.421 3.342 3.000 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.793 3.555 2.221 1.00 0.00 C ATOM 1054 C ILE A 540 -1.832 2.479 2.519 1.00 0.00 C ATOM 1055 O ILE A 540 -2.958 2.782 2.912 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.498 3.564 0.710 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.434 4.726 0.357 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.793 3.658 -0.082 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.198 4.517 -0.932 1.00 0.00 C ATOM 0 H ILE A 540 1.240 3.092 2.445 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.188 4.529 2.511 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.001 2.631 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.153 5.641 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.144 4.872 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.568 3.663 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.425 2.801 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.316 4.577 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.838 5.379 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.812 3.620 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.495 4.401 -1.757 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.445 1.222 2.330 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.341 0.101 2.581 1.00 0.00 C ATOM 1073 C ALA A 541 -2.979 0.207 3.963 1.00 0.00 C ATOM 1074 O ALA A 541 -4.106 -0.241 4.171 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.591 -1.216 2.444 1.00 0.00 C ATOM 0 H ALA A 541 -0.516 0.955 2.004 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.138 0.132 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.273 -2.045 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -1.188 -1.302 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.774 -1.246 3.165 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.249 0.801 4.902 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.745 0.963 6.264 1.00 0.00 C ATOM 1083 C GLU A 542 -3.687 2.160 6.361 1.00 0.00 C ATOM 1084 O GLU A 542 -4.656 2.139 7.119 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.577 1.139 7.237 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.656 -0.066 7.307 1.00 0.00 C ATOM 1087 CD GLU A 542 0.035 -0.196 8.651 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.600 0.810 9.127 1.00 0.00 O ATOM 1089 OE2 GLU A 542 0.009 -1.305 9.226 1.00 0.00 O ATOM 0 H GLU A 542 -1.314 1.177 4.745 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.300 0.064 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.996 2.012 6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.972 1.342 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.232 -0.970 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 542 0.096 0.010 6.522 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.394 3.201 5.588 1.00 0.00 N ATOM 1097 CA GLU A 543 -4.214 4.406 5.588 1.00 0.00 C ATOM 1098 C GLU A 543 -5.577 4.137 4.957 1.00 0.00 C ATOM 1099 O GLU A 543 -6.613 4.528 5.498 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.505 5.533 4.834 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.487 6.283 5.677 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.333 7.731 5.254 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -3.334 8.326 4.802 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -1.213 8.269 5.375 1.00 0.00 O ATOM 0 H GLU A 543 -2.595 3.234 4.954 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.366 4.711 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -3.004 5.115 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.251 6.238 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.788 6.244 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.521 5.783 5.605 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.569 3.468 3.809 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.805 3.146 3.103 1.00 0.00 C ATOM 1113 C LEU A 544 -7.659 4.394 2.903 1.00 0.00 C ATOM 1114 O LEU A 544 -8.843 4.426 3.239 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.597 2.090 3.875 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.897 0.746 4.085 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.850 -0.259 4.713 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.354 0.217 2.766 1.00 0.00 C ATOM 0 H LEU A 544 -4.721 3.138 3.347 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.541 2.748 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.854 2.500 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.534 1.910 3.348 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.059 0.896 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.335 -1.209 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.191 0.117 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.708 -0.406 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -5.859 -0.740 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.175 0.082 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.638 0.929 2.356 1.00 0.00 H new ATOM 1130 N PRO A 545 -7.047 5.447 2.341 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.733 6.716 2.081 1.00 0.00 C ATOM 1132 C PRO A 545 -8.767 6.598 0.967 1.00 0.00 C ATOM 1133 O PRO A 545 -8.422 6.369 -0.193 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.598 7.653 1.661 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.543 6.752 1.120 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.637 5.479 1.916 1.00 0.00 C ATOM 0 HA PRO A 545 -8.291 7.064 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.932 8.367 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -6.228 8.231 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.700 6.561 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.556 7.203 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.379 4.608 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.960 5.488 2.770 1.00 0.00 H new ATOM 1144 N LYS A 546 -10.037 6.755 1.325 1.00 0.00 N ATOM 1145 CA LYS A 546 -11.122 6.669 0.356 1.00 0.00 C ATOM 1146 C LYS A 546 -10.884 7.618 -0.814 1.00 0.00 C ATOM 1147 O LYS A 546 -11.366 7.384 -1.922 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.459 6.994 1.026 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.669 8.477 1.277 1.00 0.00 C ATOM 1150 CD LYS A 546 -12.216 8.875 2.672 1.00 0.00 C ATOM 1151 CE LYS A 546 -13.350 8.763 3.680 1.00 0.00 C ATOM 1152 NZ LYS A 546 -12.843 8.656 5.076 1.00 0.00 N ATOM 0 H LYS A 546 -10.340 6.943 2.281 1.00 0.00 H new ATOM 0 HA LYS A 546 -11.153 5.649 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.270 6.622 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.519 6.461 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -12.117 9.054 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -13.724 8.723 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -11.388 8.238 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -11.842 9.899 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -13.999 9.635 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -13.958 7.889 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -13.646 8.582 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -12.244 7.810 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -12.284 9.502 5.308 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.137 8.687 -0.560 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.835 9.670 -1.594 1.00 0.00 C ATOM 1168 C GLU A 547 -8.421 9.475 -2.135 1.00 0.00 C ATOM 1169 O GLU A 547 -7.552 8.900 -1.478 1.00 0.00 O ATOM 1170 CB GLU A 547 -9.989 11.089 -1.041 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.387 11.659 -1.211 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.582 12.335 -2.554 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.862 11.622 -3.541 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -11.455 13.575 -2.619 1.00 0.00 O ATOM 0 H GLU A 547 -9.730 8.895 0.352 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.542 9.527 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.733 11.087 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.275 11.744 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -12.118 10.858 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -11.582 12.378 -0.415 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.184 9.963 -3.361 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.878 9.855 -4.018 1.00 0.00 C ATOM 1183 C PRO A 548 -5.822 10.734 -3.357 1.00 0.00 C ATOM 1184 O PRO A 548 -4.624 10.501 -3.510 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.157 10.335 -5.444 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.343 11.229 -5.318 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.173 10.660 -4.201 1.00 0.00 C ATOM 0 HA PRO A 548 -6.478 8.842 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.301 10.869 -5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.362 9.497 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.039 12.252 -5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.909 11.260 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.691 11.443 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.935 9.977 -4.575 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.276 11.744 -2.622 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.368 12.658 -1.938 1.00 0.00 C ATOM 1197 C GLN A 549 -4.561 11.927 -0.871 1.00 0.00 C ATOM 1198 O GLN A 549 -3.357 12.139 -0.735 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.152 13.809 -1.304 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.269 14.929 -0.777 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.999 16.254 -0.688 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -6.649 16.684 -1.641 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.897 16.910 0.462 1.00 0.00 N ATOM 0 H GLN A 549 -7.265 11.950 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.675 13.063 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.842 14.218 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.757 13.418 -0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.895 14.658 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.401 15.039 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -5.348 16.517 1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.368 17.807 0.581 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.234 11.065 -0.114 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.563 10.316 0.932 1.00 0.00 C ATOM 1214 C GLY A 550 -3.367 9.542 0.415 1.00 0.00 C ATOM 1215 O GLY A 550 -2.433 9.256 1.165 1.00 0.00 O ATOM 0 H GLY A 550 -6.231 10.872 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.237 11.002 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.270 9.624 1.389 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.395 9.200 -0.869 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.304 8.454 -1.484 1.00 0.00 C ATOM 1221 C ILE A 551 -1.166 9.382 -1.893 1.00 0.00 C ATOM 1222 O ILE A 551 -0.001 8.984 -1.906 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.785 7.673 -2.721 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.796 6.600 -2.313 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.602 7.045 -3.443 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.231 7.078 -2.350 1.00 0.00 C ATOM 0 H ILE A 551 -4.161 9.428 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.942 7.748 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.276 8.368 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.690 5.741 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.562 6.256 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -1.958 6.496 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.914 7.827 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.086 6.361 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -5.893 6.266 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.353 7.918 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.483 7.395 -3.362 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.510 10.622 -2.226 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.517 11.607 -2.633 1.00 0.00 C ATOM 1240 C ILE A 552 0.241 12.154 -1.427 1.00 0.00 C ATOM 1241 O ILE A 552 1.442 12.413 -1.502 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.165 12.780 -3.392 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.902 12.268 -4.631 1.00 0.00 C ATOM 1244 CG2 ILE A 552 -0.111 13.805 -3.782 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.525 13.369 -5.461 1.00 0.00 C ATOM 0 H ILE A 552 -2.470 10.968 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 552 0.180 11.096 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.888 13.264 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.205 11.706 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.682 11.574 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.584 14.628 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.374 14.188 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.634 13.335 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -3.030 12.933 -6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.247 13.917 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.747 14.051 -5.803 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.468 12.325 -0.317 1.00 0.00 N ATOM 1258 CA ALA A 553 0.138 12.836 0.906 1.00 0.00 C ATOM 1259 C ALA A 553 1.108 11.823 1.503 1.00 0.00 C ATOM 1260 O ALA A 553 2.177 12.188 1.995 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.940 13.198 1.918 1.00 0.00 C ATOM 0 H ALA A 553 -1.464 12.117 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 553 0.702 13.735 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.473 13.578 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.592 13.964 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.528 12.312 2.156 1.00 0.00 H new ATOM 1267 N CYS A 554 0.730 10.551 1.457 1.00 0.00 N ATOM 1268 CA CYS A 554 1.567 9.484 1.996 1.00 0.00 C ATOM 1269 C CYS A 554 3.032 9.708 1.636 1.00 0.00 C ATOM 1270 O CYS A 554 3.928 9.421 2.430 1.00 0.00 O ATOM 1271 CB CYS A 554 1.101 8.126 1.468 1.00 0.00 C ATOM 1272 SG CYS A 554 1.836 7.659 -0.116 1.00 0.00 S ATOM 0 H CYS A 554 -0.150 10.233 1.052 1.00 0.00 H new ATOM 0 HA CYS A 554 1.473 9.495 3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.338 7.360 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.016 8.142 1.363 1.00 0.00 H new ATOM 0 HG CYS A 554 0.971 7.848 -1.068 1.00 0.00 H new ATOM 1278 N CYS A 555 3.268 10.220 0.433 1.00 0.00 N ATOM 1279 CA CYS A 555 4.625 10.481 -0.034 1.00 0.00 C ATOM 1280 C CYS A 555 4.955 11.967 0.057 1.00 0.00 C ATOM 1281 O CYS A 555 4.069 12.816 -0.025 1.00 0.00 O ATOM 1282 CB CYS A 555 4.792 9.996 -1.475 1.00 0.00 C ATOM 1283 SG CYS A 555 3.335 10.254 -2.515 1.00 0.00 S ATOM 0 H CYS A 555 2.538 10.463 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 555 5.316 9.935 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.641 10.511 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 555 5.033 8.933 -1.464 1.00 0.00 H new ATOM 0 HG CYS A 555 2.583 11.174 -1.988 1.00 0.00 H new ATOM 1289 N ASN A 556 6.237 12.273 0.228 1.00 0.00 N ATOM 1290 CA ASN A 556 6.685 13.657 0.333 1.00 0.00 C ATOM 1291 C ASN A 556 8.200 13.752 0.175 1.00 0.00 C ATOM 1292 O ASN A 556 8.966 13.379 1.064 1.00 0.00 O ATOM 1293 CB ASN A 556 6.262 14.252 1.678 1.00 0.00 C ATOM 1294 CG ASN A 556 6.657 13.372 2.848 1.00 0.00 C ATOM 1295 OD1 ASN A 556 6.128 12.273 3.019 1.00 0.00 O ATOM 1296 ND2 ASN A 556 7.590 13.852 3.661 1.00 0.00 N ATOM 0 H ASN A 556 6.984 11.582 0.297 1.00 0.00 H new ATOM 0 HA ASN A 556 6.218 14.226 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 556 6.717 15.235 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 556 5.182 14.398 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 556 7.896 13.305 4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 556 8.001 14.768 3.481 1.00 0.00 H new ATOM 1303 N PRO A 557 8.643 14.264 -0.982 1.00 0.00 N ATOM 1304 CA PRO A 557 7.741 14.711 -2.047 1.00 0.00 C ATOM 1305 C PRO A 557 7.022 13.549 -2.724 1.00 0.00 C ATOM 1306 O PRO A 557 7.196 12.392 -2.342 1.00 0.00 O ATOM 1307 CB PRO A 557 8.678 15.409 -3.037 1.00 0.00 C ATOM 1308 CG PRO A 557 10.009 14.780 -2.806 1.00 0.00 C ATOM 1309 CD PRO A 557 10.060 14.446 -1.340 1.00 0.00 C ATOM 0 HA PRO A 557 6.947 15.353 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.345 15.266 -4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 557 8.712 16.484 -2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.128 13.884 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 557 10.815 15.461 -3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.641 13.543 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.521 15.246 -0.761 1.00 0.00 H new ATOM 1317 N VAL A 558 6.214 13.864 -3.731 1.00 0.00 N ATOM 1318 CA VAL A 558 5.470 12.846 -4.462 1.00 0.00 C ATOM 1319 C VAL A 558 6.160 12.498 -5.776 1.00 0.00 C ATOM 1320 O VAL A 558 6.574 13.372 -6.539 1.00 0.00 O ATOM 1321 CB VAL A 558 4.030 13.306 -4.757 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.264 12.221 -5.499 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.318 13.686 -3.468 1.00 0.00 C ATOM 0 H VAL A 558 6.058 14.817 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 558 5.438 11.961 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 558 4.073 14.188 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.249 12.564 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.765 12.002 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.229 11.319 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.302 14.009 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.285 12.823 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.856 14.499 -2.981 1.00 0.00 H new ATOM 1333 N PRO A 559 6.287 11.191 -6.051 1.00 0.00 N ATOM 1334 CA PRO A 559 6.926 10.698 -7.274 1.00 0.00 C ATOM 1335 C PRO A 559 6.090 10.978 -8.518 1.00 0.00 C ATOM 1336 O PRO A 559 4.887 11.231 -8.443 1.00 0.00 O ATOM 1337 CB PRO A 559 7.037 9.190 -7.033 1.00 0.00 C ATOM 1338 CG PRO A 559 5.949 8.880 -6.064 1.00 0.00 C ATOM 1339 CD PRO A 559 5.816 10.095 -5.187 1.00 0.00 C ATOM 0 HA PRO A 559 7.883 11.186 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 559 6.912 8.631 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.014 8.924 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.014 8.669 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.193 7.997 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.785 10.249 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.420 10.007 -4.284 1.00 0.00 H new ATOM 1347 N PRO A 560 6.739 10.932 -9.691 1.00 0.00 N ATOM 1348 CA PRO A 560 6.073 11.177 -10.974 1.00 0.00 C ATOM 1349 C PRO A 560 5.110 10.056 -11.351 1.00 0.00 C ATOM 1350 O PRO A 560 4.402 10.144 -12.355 1.00 0.00 O ATOM 1351 CB PRO A 560 7.234 11.242 -11.969 1.00 0.00 C ATOM 1352 CG PRO A 560 8.319 10.438 -11.338 1.00 0.00 C ATOM 1353 CD PRO A 560 8.172 10.636 -9.855 1.00 0.00 C ATOM 0 HA PRO A 560 5.462 12.080 -10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.949 10.831 -12.938 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.552 12.271 -12.140 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.228 9.384 -11.602 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.299 10.769 -11.681 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.464 9.745 -9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.795 11.455 -9.495 1.00 0.00 H new ATOM 1361 N LEU A 561 5.089 9.003 -10.541 1.00 0.00 N ATOM 1362 CA LEU A 561 4.212 7.865 -10.790 1.00 0.00 C ATOM 1363 C LEU A 561 2.926 7.980 -9.977 1.00 0.00 C ATOM 1364 O LEU A 561 1.860 8.273 -10.520 1.00 0.00 O ATOM 1365 CB LEU A 561 4.930 6.558 -10.447 1.00 0.00 C ATOM 1366 CG LEU A 561 6.171 6.236 -11.279 1.00 0.00 C ATOM 1367 CD1 LEU A 561 6.910 5.042 -10.695 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.789 5.972 -12.728 1.00 0.00 C ATOM 0 H LEU A 561 5.669 8.914 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 561 3.952 7.863 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.220 6.591 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.221 5.738 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 561 6.837 7.099 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.791 4.827 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.218 5.268 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.252 4.173 -10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.685 5.745 -13.305 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.103 5.126 -12.775 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.305 6.856 -13.143 1.00 0.00 H new ATOM 1380 N VAL A 562 3.034 7.750 -8.673 1.00 0.00 N ATOM 1381 CA VAL A 562 1.881 7.831 -7.784 1.00 0.00 C ATOM 1382 C VAL A 562 0.950 8.967 -8.194 1.00 0.00 C ATOM 1383 O VAL A 562 -0.271 8.848 -8.097 1.00 0.00 O ATOM 1384 CB VAL A 562 2.313 8.039 -6.321 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.097 8.192 -5.421 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.189 6.886 -5.855 1.00 0.00 C ATOM 0 H VAL A 562 3.908 7.506 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 562 1.351 6.882 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 562 2.897 8.957 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.423 8.338 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.513 9.054 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.483 7.294 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.485 7.050 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.632 5.952 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.079 6.829 -6.482 1.00 0.00 H new ATOM 1396 N ARG A 563 1.536 10.068 -8.652 1.00 0.00 N ATOM 1397 CA ARG A 563 0.760 11.227 -9.076 1.00 0.00 C ATOM 1398 C ARG A 563 0.148 10.996 -10.455 1.00 0.00 C ATOM 1399 O ARG A 563 -1.004 11.353 -10.700 1.00 0.00 O ATOM 1400 CB ARG A 563 1.641 12.477 -9.100 1.00 0.00 C ATOM 1401 CG ARG A 563 0.856 13.773 -9.221 1.00 0.00 C ATOM 1402 CD ARG A 563 0.485 14.329 -7.855 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.128 15.651 -7.950 1.00 0.00 N ATOM 1404 CZ ARG A 563 -1.340 15.865 -8.452 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -2.063 14.849 -8.902 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -1.829 17.097 -8.505 1.00 0.00 N ATOM 0 H ARG A 563 2.546 10.182 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.047 11.374 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.238 12.508 -8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.337 12.404 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.448 14.509 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.049 13.598 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.204 13.645 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 563 1.378 14.387 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 563 0.403 16.454 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -1.689 13.901 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -2.993 15.016 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -1.275 17.881 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -2.759 17.260 -8.890 1.00 0.00 H new ATOM 1420 N GLN A 564 0.927 10.399 -11.350 1.00 0.00 N ATOM 1421 CA GLN A 564 0.462 10.122 -12.704 1.00 0.00 C ATOM 1422 C GLN A 564 -0.629 9.056 -12.698 1.00 0.00 C ATOM 1423 O GLN A 564 -1.712 9.261 -13.244 1.00 0.00 O ATOM 1424 CB GLN A 564 1.629 9.670 -13.584 1.00 0.00 C ATOM 1425 CG GLN A 564 1.205 9.229 -14.976 1.00 0.00 C ATOM 1426 CD GLN A 564 2.291 8.457 -15.700 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.109 7.292 -16.054 1.00 0.00 O ATOM 1428 NE2 GLN A 564 3.429 9.105 -15.923 1.00 0.00 N ATOM 0 H GLN A 564 1.883 10.098 -11.162 1.00 0.00 H new ATOM 0 HA GLN A 564 0.043 11.042 -13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.344 10.488 -13.673 1.00 0.00 H new ATOM 0 HB3 GLN A 564 2.146 8.846 -13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.312 8.608 -14.900 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.934 10.106 -15.564 1.00 0.00 H new ATOM 0 HE21 GLN A 564 3.536 10.070 -15.612 1.00 0.00 H new ATOM 0 HE22 GLN A 564 4.196 8.637 -16.406 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.334 7.919 -12.076 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.290 6.821 -12.000 1.00 0.00 C ATOM 1439 C GLN A 565 -2.085 6.880 -10.700 1.00 0.00 C ATOM 1440 O GLN A 565 -2.590 5.863 -10.223 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.566 5.478 -12.108 1.00 0.00 C ATOM 1442 CG GLN A 565 0.289 5.346 -13.358 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.519 4.952 -14.579 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -0.787 5.776 -15.454 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.912 3.685 -14.645 1.00 0.00 N ATOM 0 H GLN A 565 0.558 7.734 -11.618 1.00 0.00 H new ATOM 0 HA GLN A 565 -1.985 6.920 -12.834 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.066 5.344 -11.230 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.303 4.675 -12.096 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.793 6.293 -13.551 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.066 4.601 -13.185 1.00 0.00 H new ATOM 0 HE21 GLN A 565 -0.668 3.036 -13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -1.458 3.361 -15.443 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.191 8.076 -10.131 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.925 8.267 -8.886 1.00 0.00 C ATOM 1456 C ILE A 566 -4.318 7.652 -8.970 1.00 0.00 C ATOM 1457 O ILE A 566 -4.775 6.997 -8.035 1.00 0.00 O ATOM 1458 CB ILE A 566 -3.056 9.760 -8.533 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.820 9.931 -7.219 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.751 10.512 -9.658 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -3.077 9.399 -6.014 1.00 0.00 C ATOM 0 H ILE A 566 -1.778 8.927 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.355 7.766 -8.103 1.00 0.00 H new ATOM 0 HB ILE A 566 -2.057 10.177 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -4.032 10.989 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.780 9.421 -7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.836 11.566 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.170 10.414 -10.575 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.746 10.096 -9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.678 9.554 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -2.888 8.333 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -2.128 9.926 -5.910 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.988 7.868 -10.098 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.329 7.334 -10.304 1.00 0.00 C ATOM 1475 C ASN A 567 -6.365 5.833 -10.031 1.00 0.00 C ATOM 1476 O ASN A 567 -7.268 5.337 -9.359 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.798 7.615 -11.733 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.331 8.966 -12.240 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -7.015 9.976 -12.070 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -5.160 8.991 -12.866 1.00 0.00 N ATOM 0 H ASN A 567 -4.624 8.409 -10.883 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.002 7.829 -9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.426 6.833 -12.395 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.887 7.573 -11.770 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -4.794 9.871 -13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -4.627 8.130 -12.984 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.376 5.118 -10.558 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.295 3.674 -10.370 1.00 0.00 C ATOM 1489 C GLU A 568 -5.138 3.325 -8.893 1.00 0.00 C ATOM 1490 O GLU A 568 -5.901 2.528 -8.348 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.124 3.098 -11.169 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.104 1.580 -11.211 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.488 0.982 -11.377 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.147 1.286 -12.394 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.912 0.212 -10.491 1.00 0.00 O ATOM 0 H GLU A 568 -4.621 5.514 -11.118 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.224 3.234 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.168 3.481 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.189 3.453 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.469 1.251 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -3.656 1.201 -10.292 1.00 0.00 H new ATOM 1502 N MET A 569 -4.142 3.927 -8.252 1.00 0.00 N ATOM 1503 CA MET A 569 -3.884 3.680 -6.838 1.00 0.00 C ATOM 1504 C MET A 569 -5.155 3.860 -6.014 1.00 0.00 C ATOM 1505 O MET A 569 -5.517 2.995 -5.216 1.00 0.00 O ATOM 1506 CB MET A 569 -2.793 4.621 -6.325 1.00 0.00 C ATOM 1507 CG MET A 569 -1.459 4.449 -7.034 1.00 0.00 C ATOM 1508 SD MET A 569 -0.597 2.946 -6.537 1.00 0.00 S ATOM 1509 CE MET A 569 0.463 3.576 -5.239 1.00 0.00 C ATOM 0 H MET A 569 -3.501 4.589 -8.689 1.00 0.00 H new ATOM 0 HA MET A 569 -3.545 2.650 -6.731 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.128 5.651 -6.444 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.652 4.453 -5.257 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.624 4.429 -8.111 1.00 0.00 H new ATOM 0 HG3 MET A 569 -0.827 5.312 -6.825 1.00 0.00 H new ATOM 0 HE1 MET A 569 0.542 2.836 -4.443 1.00 0.00 H new ATOM 0 HE2 MET A 569 1.454 3.780 -5.645 1.00 0.00 H new ATOM 0 HE3 MET A 569 0.039 4.496 -4.838 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.829 4.989 -6.213 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.061 5.281 -5.488 1.00 0.00 C ATOM 1521 C HIS A 570 -8.049 4.125 -5.606 1.00 0.00 C ATOM 1522 O HIS A 570 -8.538 3.607 -4.601 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.697 6.567 -6.019 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.084 6.805 -5.506 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.043 7.491 -6.221 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.672 6.442 -4.342 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.160 7.541 -5.518 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -10.962 6.912 -4.374 1.00 0.00 N ATOM 0 H HIS A 570 -5.543 5.716 -6.869 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.811 5.415 -4.436 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.067 7.414 -5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.723 6.527 -7.108 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.212 5.886 -3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.080 8.016 -5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 570 -11.654 6.794 -3.634 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.339 3.725 -6.840 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.270 2.629 -7.090 1.00 0.00 C ATOM 1538 C LEU A 571 -8.936 1.422 -6.219 1.00 0.00 C ATOM 1539 O LEU A 571 -9.814 0.846 -5.575 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.236 2.233 -8.567 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.729 3.289 -9.557 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.356 2.902 -10.979 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.234 3.477 -9.430 1.00 0.00 C ATOM 0 H LEU A 571 -7.943 4.143 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.273 2.971 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.211 1.969 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.839 1.334 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.244 4.236 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -9.715 3.665 -11.670 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.272 2.819 -11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -9.813 1.944 -11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.568 4.232 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.738 2.533 -9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.476 3.801 -8.418 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.662 1.045 -6.203 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.211 -0.093 -5.410 1.00 0.00 C ATOM 1557 C LEU A 572 -7.654 0.046 -3.957 1.00 0.00 C ATOM 1558 O LEU A 572 -8.280 -0.856 -3.399 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.688 -0.218 -5.481 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.085 -0.284 -6.884 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.566 -0.282 -6.813 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.585 -1.517 -7.622 1.00 0.00 C ATOM 0 H LEU A 572 -6.923 1.511 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.663 -0.994 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.249 0.632 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.391 -1.115 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.403 0.600 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.155 -0.329 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.226 0.631 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.227 -1.146 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.145 -1.548 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.297 -2.412 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.671 -1.476 -7.705 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.327 1.182 -3.350 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.695 1.441 -1.964 1.00 0.00 C ATOM 1576 C ILE A 573 -9.181 1.191 -1.733 1.00 0.00 C ATOM 1577 O ILE A 573 -9.575 0.631 -0.710 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.359 2.887 -1.552 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.858 3.146 -1.700 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.809 3.149 -0.123 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -4.995 2.087 -1.052 1.00 0.00 C ATOM 0 H ILE A 573 -6.808 1.938 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.114 0.753 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 573 -7.894 3.571 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.611 3.206 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.620 4.115 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.565 4.175 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.886 3.000 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.299 2.461 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.944 2.336 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.214 2.042 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.204 1.119 -1.507 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.002 1.609 -2.692 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.445 1.429 -2.593 1.00 0.00 C ATOM 1595 C GLN A 574 -11.822 -0.041 -2.744 1.00 0.00 C ATOM 1596 O GLN A 574 -12.795 -0.505 -2.150 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.158 2.263 -3.659 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.674 3.702 -3.731 1.00 0.00 C ATOM 1599 CD GLN A 574 -11.582 4.355 -2.366 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -10.613 5.052 -2.063 1.00 0.00 O ATOM 1601 NE2 GLN A 574 -12.593 4.133 -1.534 1.00 0.00 N ATOM 0 H GLN A 574 -9.692 2.074 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.761 1.766 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.016 1.792 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.229 2.258 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.695 3.729 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.352 4.278 -4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -13.376 3.549 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -12.587 4.547 -0.602 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.046 -0.767 -3.542 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.300 -2.184 -3.771 1.00 0.00 C ATOM 1612 C GLN A 575 -10.999 -3.001 -2.519 1.00 0.00 C ATOM 1613 O GLN A 575 -11.559 -4.078 -2.318 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.457 -2.693 -4.941 1.00 0.00 C ATOM 1615 CG GLN A 575 -10.954 -2.224 -6.299 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.520 -3.138 -7.427 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.298 -3.962 -7.909 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.271 -2.997 -7.856 1.00 0.00 N ATOM 0 H GLN A 575 -10.237 -0.397 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.356 -2.302 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.427 -2.363 -4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.447 -3.783 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.042 -2.165 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.583 -1.217 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -8.660 -2.301 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -8.923 -3.584 -8.614 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.110 -2.481 -1.679 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.735 -3.161 -0.445 1.00 0.00 C ATOM 1629 C ALA A 576 -10.669 -2.779 0.697 1.00 0.00 C ATOM 1630 O ALA A 576 -10.859 -3.548 1.640 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.293 -2.837 -0.082 1.00 0.00 C ATOM 0 H ALA A 576 -9.636 -1.591 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 576 -9.824 -4.235 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.026 -3.351 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.633 -3.166 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.186 -1.761 0.058 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.249 -1.586 0.608 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.163 -1.102 1.636 1.00 0.00 C ATOM 1639 C ARG A 577 -13.591 -1.558 1.353 1.00 0.00 C ATOM 1640 O ARG A 577 -14.344 -1.879 2.272 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.109 0.424 1.718 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.024 0.947 2.645 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.165 2.443 2.880 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.375 2.767 3.631 1.00 0.00 N ATOM 1645 CZ ARG A 577 -12.469 2.665 4.952 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -11.431 2.249 5.664 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -13.604 2.978 5.564 1.00 0.00 N ATOM 0 H ARG A 577 -11.102 -0.937 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 577 -11.850 -1.521 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -11.946 0.827 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.076 0.795 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -11.074 0.422 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.044 0.736 2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.293 2.809 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.184 2.960 1.921 1.00 0.00 H new ATOM 0 HE ARG A 577 -13.192 3.089 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -10.557 2.006 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -11.506 2.172 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -14.406 3.297 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -13.675 2.899 6.578 1.00 0.00 H new ATOM 1661 N GLU A 578 -13.957 -1.581 0.075 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.295 -1.996 -0.328 1.00 0.00 C ATOM 1663 C GLU A 578 -15.690 -3.301 0.356 1.00 0.00 C ATOM 1664 O GLU A 578 -16.820 -3.455 0.818 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.366 -2.162 -1.848 1.00 0.00 C ATOM 1666 CG GLU A 578 -14.680 -3.419 -2.355 1.00 0.00 C ATOM 1667 CD GLU A 578 -14.807 -3.587 -3.857 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -14.624 -2.588 -4.583 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -15.089 -4.718 -4.306 1.00 0.00 O ATOM 0 H GLU A 578 -13.346 -1.317 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 578 -15.995 -1.219 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -16.412 -2.180 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -14.910 -1.293 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -13.625 -3.387 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.110 -4.289 -1.858 1.00 0.00 H new ATOM 1676 N MET A 579 -14.750 -4.239 0.416 1.00 0.00 N ATOM 1677 CA MET A 579 -14.998 -5.531 1.044 1.00 0.00 C ATOM 1678 C MET A 579 -15.103 -5.388 2.559 1.00 0.00 C ATOM 1679 O MET A 579 -14.399 -4.593 3.181 1.00 0.00 O ATOM 1680 CB MET A 579 -13.884 -6.518 0.689 1.00 0.00 C ATOM 1681 CG MET A 579 -12.497 -6.034 1.079 1.00 0.00 C ATOM 1682 SD MET A 579 -12.063 -6.466 2.775 1.00 0.00 S ATOM 1683 CE MET A 579 -12.031 -8.254 2.671 1.00 0.00 C ATOM 0 H MET A 579 -13.810 -4.128 0.037 1.00 0.00 H new ATOM 0 HA MET A 579 -15.946 -5.914 0.666 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.081 -7.469 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 579 -13.906 -6.707 -0.384 1.00 0.00 H new ATOM 0 HG2 MET A 579 -11.762 -6.464 0.399 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.447 -4.952 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 579 -12.657 -8.675 3.457 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.409 -8.569 1.698 1.00 0.00 H new ATOM 0 HE3 MET A 579 -11.007 -8.607 2.794 1.00 0.00 H new