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 HE2:sc= -1.5 K(o=-4.2,f=-6.1) USER MOD Set 1.2: A 574 GLN : amide:sc= -2.71 K(o=-4.2,f=-2.2) USER MOD Set 2.1: A 520 THR OG1 : rot 169:sc= 0.418 USER MOD Set 2.2: A 564 GLN : amide:sc= -1.68 K(o=-0.82,f=0.67) USER MOD Set 2.3: A 565 GLN : amide:sc= 0.441 K(o=-0.82,f=-3.3!) USER MOD Set 3.1: A 554 CYS SG : rot -48:sc= -2.76 USER MOD Set 3.2: A 555 CYS SG : rot 19:sc= -1.01 USER MOD Single : A 504 THR OG1 : rot 32:sc= 0.0925 USER MOD Single : A 505 GLN : amide:sc= 0.0913 K(o=0.091,f=-0.56) USER MOD Single : A 506 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 508 THR OG1 : rot -169:sc= 1.16 USER MOD Single : A 511 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.49) USER MOD Single : A 519 LYS NZ :NH3+ -164:sc= -0.0185 (180deg=-0.225) 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=-0.00612 K(o=-0.0061,f=-0.75) USER MOD Single : A 535 HIS : no HD1:sc= -8.52! C(o=-8.5!,f=-10!) USER MOD Single : A 536 MET CE :methyl 156:sc= -0.0844 (180deg=-0.527) USER MOD Single : A 537 MET CE :methyl -142:sc= 0 (180deg=-0.0126) USER MOD Single : A 539 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-1) USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 ASN : amide:sc=-0.00386 K(o=-0.0039,f=-0.84) USER MOD Single : A 569 MET CE :methyl 160:sc= -0.0204 (180deg=-0.337) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl -164:sc= -5.23! (180deg=-6.57!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -8.153 -7.683 7.559 1.00 0.00 N ATOM 446 CA THR A 504 -8.724 -8.064 6.273 1.00 0.00 C ATOM 447 C THR A 504 -8.532 -6.961 5.238 1.00 0.00 C ATOM 448 O THR A 504 -7.821 -7.142 4.250 1.00 0.00 O ATOM 449 CB THR A 504 -10.226 -8.380 6.396 1.00 0.00 C ATOM 450 OG1 THR A 504 -10.430 -9.421 7.358 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.802 -8.803 5.054 1.00 0.00 C ATOM 0 HA THR A 504 -8.197 -8.961 5.947 1.00 0.00 H new ATOM 0 HB THR A 504 -10.739 -7.476 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.749 -9.356 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.864 -9.021 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.671 -7.997 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 504 -10.284 -9.695 4.701 1.00 0.00 H new ATOM 459 N GLN A 505 -9.169 -5.818 5.473 1.00 0.00 N ATOM 460 CA GLN A 505 -9.067 -4.686 4.560 1.00 0.00 C ATOM 461 C GLN A 505 -7.609 -4.368 4.248 1.00 0.00 C ATOM 462 O GLN A 505 -7.166 -4.498 3.107 1.00 0.00 O ATOM 463 CB GLN A 505 -9.753 -3.457 5.159 1.00 0.00 C ATOM 464 CG GLN A 505 -11.271 -3.542 5.150 1.00 0.00 C ATOM 465 CD GLN A 505 -11.926 -2.351 5.821 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.419 -1.827 6.813 1.00 0.00 O ATOM 467 NE2 GLN A 505 -13.060 -1.917 5.283 1.00 0.00 N ATOM 0 H GLN A 505 -9.761 -5.652 6.287 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.568 -4.955 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.411 -3.325 6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.444 -2.572 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.621 -3.612 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.583 -4.456 5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.445 -2.381 4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.546 -1.119 5.692 1.00 0.00 H new ATOM 476 N GLN A 506 -6.868 -3.949 5.269 1.00 0.00 N ATOM 477 CA GLN A 506 -5.459 -3.611 5.102 1.00 0.00 C ATOM 478 C GLN A 506 -4.775 -4.585 4.149 1.00 0.00 C ATOM 479 O GLN A 506 -4.253 -4.186 3.107 1.00 0.00 O ATOM 480 CB GLN A 506 -4.747 -3.620 6.456 1.00 0.00 C ATOM 481 CG GLN A 506 -5.026 -2.385 7.298 1.00 0.00 C ATOM 482 CD GLN A 506 -4.383 -2.456 8.669 1.00 0.00 C ATOM 483 OE1 GLN A 506 -4.745 -3.295 9.494 1.00 0.00 O ATOM 484 NE2 GLN A 506 -3.424 -1.573 8.919 1.00 0.00 N ATOM 0 H GLN A 506 -7.219 -3.836 6.220 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.400 -2.610 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -5.053 -4.506 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.673 -3.703 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.659 -1.502 6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -6.103 -2.263 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -3.156 -0.895 8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -2.955 -1.572 9.825 1.00 0.00 H new ATOM 493 N LEU A 507 -4.781 -5.863 4.511 1.00 0.00 N ATOM 494 CA LEU A 507 -4.160 -6.895 3.688 1.00 0.00 C ATOM 495 C LEU A 507 -4.659 -6.816 2.248 1.00 0.00 C ATOM 496 O LEU A 507 -3.884 -6.965 1.302 1.00 0.00 O ATOM 497 CB LEU A 507 -4.453 -8.281 4.265 1.00 0.00 C ATOM 498 CG LEU A 507 -3.615 -8.695 5.475 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.171 -9.964 6.101 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.160 -8.889 5.074 1.00 0.00 C ATOM 0 H LEU A 507 -5.209 -6.210 5.369 1.00 0.00 H new ATOM 0 HA LEU A 507 -3.083 -6.727 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.505 -8.320 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.306 -9.019 3.477 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.664 -7.898 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.561 -10.243 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.197 -9.791 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.153 -10.770 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.578 -9.183 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.093 -9.667 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.765 -7.955 4.673 1.00 0.00 H new ATOM 512 N THR A 508 -5.957 -6.577 2.089 1.00 0.00 N ATOM 513 CA THR A 508 -6.558 -6.476 0.765 1.00 0.00 C ATOM 514 C THR A 508 -5.889 -5.385 -0.062 1.00 0.00 C ATOM 515 O THR A 508 -5.463 -5.623 -1.192 1.00 0.00 O ATOM 516 CB THR A 508 -8.068 -6.183 0.855 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.709 -7.161 1.682 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.703 -6.185 -0.527 1.00 0.00 C ATOM 0 H THR A 508 -6.612 -6.450 2.861 1.00 0.00 H new ATOM 0 HA THR A 508 -6.410 -7.439 0.277 1.00 0.00 H new ATOM 0 HB THR A 508 -8.198 -5.195 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.681 -7.074 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.769 -5.976 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.233 -5.419 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.562 -7.161 -0.991 1.00 0.00 H new ATOM 526 N ALA A 509 -5.798 -4.188 0.509 1.00 0.00 N ATOM 527 CA ALA A 509 -5.177 -3.061 -0.176 1.00 0.00 C ATOM 528 C ALA A 509 -3.712 -3.346 -0.485 1.00 0.00 C ATOM 529 O ALA A 509 -3.219 -3.018 -1.564 1.00 0.00 O ATOM 530 CB ALA A 509 -5.306 -1.798 0.664 1.00 0.00 C ATOM 0 H ALA A 509 -6.146 -3.974 1.444 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.697 -2.910 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.838 -0.964 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.361 -1.577 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.812 -1.947 1.624 1.00 0.00 H new ATOM 536 N PHE A 510 -3.019 -3.958 0.470 1.00 0.00 N ATOM 537 CA PHE A 510 -1.608 -4.286 0.300 1.00 0.00 C ATOM 538 C PHE A 510 -1.389 -5.108 -0.966 1.00 0.00 C ATOM 539 O PHE A 510 -0.605 -4.731 -1.836 1.00 0.00 O ATOM 540 CB PHE A 510 -1.091 -5.055 1.517 1.00 0.00 C ATOM 541 CG PHE A 510 0.253 -5.689 1.299 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.417 -4.981 1.553 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.353 -6.993 0.841 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.655 -5.561 1.353 1.00 0.00 C ATOM 545 CE2 PHE A 510 1.589 -7.579 0.639 1.00 0.00 C ATOM 546 CZ PHE A 510 2.741 -6.862 0.896 1.00 0.00 C ATOM 0 H PHE A 510 -3.411 -4.237 1.369 1.00 0.00 H new ATOM 0 HA PHE A 510 -1.053 -3.353 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.030 -4.375 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.811 -5.830 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 510 1.356 -3.964 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 510 -0.545 -7.558 0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.555 -4.998 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 510 1.653 -8.596 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 510 3.708 -7.318 0.740 1.00 0.00 H new ATOM 556 N GLN A 511 -2.089 -6.234 -1.061 1.00 0.00 N ATOM 557 CA GLN A 511 -1.971 -7.111 -2.220 1.00 0.00 C ATOM 558 C GLN A 511 -2.252 -6.349 -3.511 1.00 0.00 C ATOM 559 O GLN A 511 -1.489 -6.433 -4.473 1.00 0.00 O ATOM 560 CB GLN A 511 -2.932 -8.294 -2.092 1.00 0.00 C ATOM 561 CG GLN A 511 -2.569 -9.473 -2.980 1.00 0.00 C ATOM 562 CD GLN A 511 -3.068 -9.308 -4.402 1.00 0.00 C ATOM 563 OE1 GLN A 511 -2.291 -9.362 -5.355 1.00 0.00 O ATOM 564 NE2 GLN A 511 -4.372 -9.106 -4.552 1.00 0.00 N ATOM 0 H GLN A 511 -2.743 -6.560 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.948 -7.486 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -2.951 -8.625 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -3.940 -7.961 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -1.486 -9.595 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -2.988 -10.385 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -4.980 -9.068 -3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -4.766 -8.988 -5.486 1.00 0.00 H new ATOM 573 N LEU A 512 -3.353 -5.606 -3.525 1.00 0.00 N ATOM 574 CA LEU A 512 -3.737 -4.828 -4.698 1.00 0.00 C ATOM 575 C LEU A 512 -2.582 -3.951 -5.171 1.00 0.00 C ATOM 576 O LEU A 512 -2.285 -3.888 -6.365 1.00 0.00 O ATOM 577 CB LEU A 512 -4.956 -3.959 -4.382 1.00 0.00 C ATOM 578 CG LEU A 512 -6.295 -4.690 -4.289 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.384 -3.750 -3.796 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.673 -5.284 -5.638 1.00 0.00 C ATOM 0 H LEU A 512 -3.996 -5.526 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 512 -3.992 -5.524 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.777 -3.448 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.037 -3.189 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.193 -5.504 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.330 -4.288 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.119 -3.372 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.485 -2.915 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.629 -5.801 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.756 -4.486 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -5.905 -5.991 -5.952 1.00 0.00 H new ATOM 592 N LEU A 513 -1.933 -3.277 -4.228 1.00 0.00 N ATOM 593 CA LEU A 513 -0.808 -2.405 -4.548 1.00 0.00 C ATOM 594 C LEU A 513 0.297 -3.180 -5.259 1.00 0.00 C ATOM 595 O LEU A 513 0.770 -2.775 -6.320 1.00 0.00 O ATOM 596 CB LEU A 513 -0.257 -1.762 -3.274 1.00 0.00 C ATOM 597 CG LEU A 513 -1.073 -0.603 -2.700 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.528 -0.187 -1.343 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.073 0.576 -3.662 1.00 0.00 C ATOM 0 H LEU A 513 -2.166 -3.317 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.166 -1.622 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.172 -2.534 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.752 -1.403 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.102 -0.938 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.121 0.639 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.581 -1.031 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.509 0.130 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -1.658 1.392 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.049 0.911 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.512 0.271 -4.612 1.00 0.00 H new ATOM 611 N PHE A 514 0.703 -4.299 -4.667 1.00 0.00 N ATOM 612 CA PHE A 514 1.751 -5.132 -5.243 1.00 0.00 C ATOM 613 C PHE A 514 1.485 -5.394 -6.723 1.00 0.00 C ATOM 614 O PHE A 514 2.297 -5.049 -7.581 1.00 0.00 O ATOM 615 CB PHE A 514 1.851 -6.459 -4.488 1.00 0.00 C ATOM 616 CG PHE A 514 3.093 -7.240 -4.810 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.331 -6.815 -4.358 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.021 -8.400 -5.565 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.475 -7.532 -4.653 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.162 -9.121 -5.863 1.00 0.00 C ATOM 621 CZ PHE A 514 5.391 -8.687 -5.406 1.00 0.00 C ATOM 0 H PHE A 514 0.321 -4.649 -3.788 1.00 0.00 H new ATOM 0 HA PHE A 514 2.697 -4.598 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.824 -6.261 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.978 -7.068 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.403 -5.913 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.063 -8.744 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.435 -7.189 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.093 -10.023 -6.453 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.284 -9.249 -5.637 1.00 0.00 H new ATOM 631 N ALA A 515 0.343 -6.008 -7.013 1.00 0.00 N ATOM 632 CA ALA A 515 -0.032 -6.316 -8.387 1.00 0.00 C ATOM 633 C ALA A 515 0.143 -5.100 -9.290 1.00 0.00 C ATOM 634 O ALA A 515 0.720 -5.196 -10.373 1.00 0.00 O ATOM 635 CB ALA A 515 -1.468 -6.816 -8.444 1.00 0.00 C ATOM 0 H ALA A 515 -0.339 -6.302 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 515 0.629 -7.103 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.734 -7.042 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.564 -7.718 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -2.137 -6.047 -8.057 1.00 0.00 H new ATOM 641 N TRP A 516 -0.359 -3.956 -8.837 1.00 0.00 N ATOM 642 CA TRP A 516 -0.258 -2.720 -9.605 1.00 0.00 C ATOM 643 C TRP A 516 1.199 -2.306 -9.781 1.00 0.00 C ATOM 644 O TRP A 516 1.595 -1.837 -10.848 1.00 0.00 O ATOM 645 CB TRP A 516 -1.039 -1.602 -8.913 1.00 0.00 C ATOM 646 CG TRP A 516 -0.673 -0.233 -9.402 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.243 0.447 -10.440 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.346 0.622 -8.871 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.639 1.672 -10.588 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.338 1.805 -9.637 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.263 0.505 -7.823 1.00 0.00 C ATOM 652 CZ2 TRP A 516 1.212 2.859 -9.387 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.130 1.552 -7.577 1.00 0.00 C ATOM 654 CH2 TRP A 516 2.099 2.717 -8.355 1.00 0.00 C ATOM 0 H TRP A 516 -0.840 -3.859 -7.943 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.687 -2.897 -10.591 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.106 -1.763 -9.069 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.862 -1.656 -7.839 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.050 0.076 -11.054 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -0.879 2.370 -11.292 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.293 -0.388 -7.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 1.191 3.757 -9.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.844 1.471 -6.771 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.789 3.519 -8.136 1.00 0.00 H new ATOM 665 N ARG A 517 1.991 -2.484 -8.729 1.00 0.00 N ATOM 666 CA ARG A 517 3.405 -2.127 -8.769 1.00 0.00 C ATOM 667 C ARG A 517 4.110 -2.830 -9.925 1.00 0.00 C ATOM 668 O ARG A 517 4.938 -2.234 -10.614 1.00 0.00 O ATOM 669 CB ARG A 517 4.082 -2.492 -7.447 1.00 0.00 C ATOM 670 CG ARG A 517 5.425 -1.810 -7.242 1.00 0.00 C ATOM 671 CD ARG A 517 5.711 -1.574 -5.768 1.00 0.00 C ATOM 672 NE ARG A 517 5.975 -2.821 -5.055 1.00 0.00 N ATOM 673 CZ ARG A 517 7.170 -3.398 -5.002 1.00 0.00 C ATOM 674 NH1 ARG A 517 8.206 -2.844 -5.617 1.00 0.00 N ATOM 675 NH2 ARG A 517 7.332 -4.532 -4.332 1.00 0.00 N ATOM 0 H ARG A 517 1.679 -2.873 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 517 3.479 -1.050 -8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.419 -2.226 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.223 -3.572 -7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.216 -2.424 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.436 -0.858 -7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.570 -0.910 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 517 4.861 -1.068 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 517 5.199 -3.273 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 517 8.086 -1.972 -6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 517 9.122 -3.290 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 517 6.538 -4.962 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 517 8.250 -4.974 -4.292 1.00 0.00 H new ATOM 689 N ASP A 518 3.777 -4.099 -10.131 1.00 0.00 N ATOM 690 CA ASP A 518 4.378 -4.883 -11.203 1.00 0.00 C ATOM 691 C ASP A 518 3.876 -4.415 -12.566 1.00 0.00 C ATOM 692 O ASP A 518 4.665 -4.134 -13.468 1.00 0.00 O ATOM 693 CB ASP A 518 4.067 -6.369 -11.014 1.00 0.00 C ATOM 694 CG ASP A 518 4.437 -7.197 -12.229 1.00 0.00 C ATOM 695 OD1 ASP A 518 5.522 -6.962 -12.800 1.00 0.00 O ATOM 696 OD2 ASP A 518 3.641 -8.082 -12.607 1.00 0.00 O ATOM 0 H ASP A 518 3.094 -4.607 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 518 5.458 -4.738 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.608 -6.743 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.004 -6.491 -10.805 1.00 0.00 H new ATOM 701 N LYS A 519 2.557 -4.335 -12.709 1.00 0.00 N ATOM 702 CA LYS A 519 1.948 -3.902 -13.960 1.00 0.00 C ATOM 703 C LYS A 519 2.700 -2.712 -14.548 1.00 0.00 C ATOM 704 O LYS A 519 3.205 -2.775 -15.669 1.00 0.00 O ATOM 705 CB LYS A 519 0.480 -3.531 -13.735 1.00 0.00 C ATOM 706 CG LYS A 519 -0.226 -3.054 -14.992 1.00 0.00 C ATOM 707 CD LYS A 519 -0.109 -1.549 -15.161 1.00 0.00 C ATOM 708 CE LYS A 519 -0.993 -0.806 -14.171 1.00 0.00 C ATOM 709 NZ LYS A 519 -2.440 -0.987 -14.475 1.00 0.00 N ATOM 0 H LYS A 519 1.889 -4.565 -11.973 1.00 0.00 H new ATOM 0 HA LYS A 519 2.003 -4.729 -14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 519 -0.048 -4.398 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.423 -2.749 -12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.201 -3.553 -15.862 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -1.278 -3.335 -14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 519 0.929 -1.246 -15.022 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.388 -1.273 -16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -0.787 -1.162 -13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.748 0.256 -14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -2.994 -0.269 -13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.595 -0.884 -15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.742 -1.935 -14.173 1.00 0.00 H new ATOM 723 N THR A 520 2.771 -1.626 -13.783 1.00 0.00 N ATOM 724 CA THR A 520 3.461 -0.422 -14.228 1.00 0.00 C ATOM 725 C THR A 520 4.968 -0.641 -14.284 1.00 0.00 C ATOM 726 O THR A 520 5.637 -0.186 -15.212 1.00 0.00 O ATOM 727 CB THR A 520 3.161 0.772 -13.302 1.00 0.00 C ATOM 728 OG1 THR A 520 1.770 1.105 -13.366 1.00 0.00 O ATOM 729 CG2 THR A 520 3.997 1.982 -13.691 1.00 0.00 C ATOM 0 H THR A 520 2.359 -1.556 -12.853 1.00 0.00 H new ATOM 0 HA THR A 520 3.092 -0.198 -15.229 1.00 0.00 H new ATOM 0 HB THR A 520 3.418 0.486 -12.282 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.552 1.740 -12.652 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.768 2.812 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 520 5.055 1.734 -13.612 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.768 2.268 -14.717 1.00 0.00 H new ATOM 737 N ALA A 521 5.497 -1.342 -13.287 1.00 0.00 N ATOM 738 CA ALA A 521 6.926 -1.624 -13.224 1.00 0.00 C ATOM 739 C ALA A 521 7.466 -2.027 -14.592 1.00 0.00 C ATOM 740 O ALA A 521 8.556 -1.612 -14.987 1.00 0.00 O ATOM 741 CB ALA A 521 7.205 -2.716 -12.202 1.00 0.00 C ATOM 0 H ALA A 521 4.957 -1.725 -12.511 1.00 0.00 H new ATOM 0 HA ALA A 521 7.437 -0.713 -12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.276 -2.916 -12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 521 6.863 -2.391 -11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.676 -3.625 -12.487 1.00 0.00 H new ATOM 747 N ARG A 522 6.697 -2.838 -15.311 1.00 0.00 N ATOM 748 CA ARG A 522 7.100 -3.299 -16.634 1.00 0.00 C ATOM 749 C ARG A 522 6.964 -2.181 -17.664 1.00 0.00 C ATOM 750 O ARG A 522 7.864 -1.956 -18.473 1.00 0.00 O ATOM 751 CB ARG A 522 6.255 -4.502 -17.058 1.00 0.00 C ATOM 752 CG ARG A 522 6.672 -5.803 -16.392 1.00 0.00 C ATOM 753 CD ARG A 522 5.899 -6.988 -16.951 1.00 0.00 C ATOM 754 NE ARG A 522 6.076 -7.125 -18.394 1.00 0.00 N ATOM 755 CZ ARG A 522 5.342 -6.473 -19.290 1.00 0.00 C ATOM 756 NH1 ARG A 522 4.387 -5.644 -18.892 1.00 0.00 N ATOM 757 NH2 ARG A 522 5.563 -6.651 -20.586 1.00 0.00 N ATOM 0 H ARG A 522 5.791 -3.189 -15.000 1.00 0.00 H new ATOM 0 HA ARG A 522 8.147 -3.598 -16.583 1.00 0.00 H new ATOM 0 HB2 ARG A 522 5.210 -4.302 -16.823 1.00 0.00 H new ATOM 0 HB3 ARG A 522 6.322 -4.619 -18.140 1.00 0.00 H new ATOM 0 HG2 ARG A 522 7.740 -5.962 -16.539 1.00 0.00 H new ATOM 0 HG3 ARG A 522 6.505 -5.733 -15.317 1.00 0.00 H new ATOM 0 HD2 ARG A 522 6.229 -7.902 -16.457 1.00 0.00 H new ATOM 0 HD3 ARG A 522 4.839 -6.869 -16.725 1.00 0.00 H new ATOM 0 HE ARG A 522 6.803 -7.756 -18.733 1.00 0.00 H new ATOM 0 HH11 ARG A 522 4.214 -5.505 -17.896 1.00 0.00 H new ATOM 0 HH12 ARG A 522 3.825 -5.145 -19.581 1.00 0.00 H new ATOM 0 HH21 ARG A 522 6.297 -7.289 -20.895 1.00 0.00 H new ATOM 0 HH22 ARG A 522 4.999 -6.150 -21.273 1.00 0.00 H new ATOM 771 N ARG A 523 5.833 -1.484 -17.628 1.00 0.00 N ATOM 772 CA ARG A 523 5.578 -0.391 -18.558 1.00 0.00 C ATOM 773 C ARG A 523 6.697 0.645 -18.499 1.00 0.00 C ATOM 774 O ARG A 523 7.113 1.182 -19.525 1.00 0.00 O ATOM 775 CB ARG A 523 4.236 0.273 -18.244 1.00 0.00 C ATOM 776 CG ARG A 523 3.682 1.099 -19.393 1.00 0.00 C ATOM 777 CD ARG A 523 2.424 1.849 -18.983 1.00 0.00 C ATOM 778 NE ARG A 523 1.807 2.541 -20.111 1.00 0.00 N ATOM 779 CZ ARG A 523 0.584 3.058 -20.077 1.00 0.00 C ATOM 780 NH1 ARG A 523 -0.148 2.963 -18.976 1.00 0.00 N ATOM 781 NH2 ARG A 523 0.092 3.673 -21.145 1.00 0.00 N ATOM 0 H ARG A 523 5.078 -1.657 -16.964 1.00 0.00 H new ATOM 0 HA ARG A 523 5.543 -0.806 -19.565 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.512 -0.498 -17.979 1.00 0.00 H new ATOM 0 HB3 ARG A 523 4.353 0.914 -17.370 1.00 0.00 H new ATOM 0 HG2 ARG A 523 4.437 1.809 -19.729 1.00 0.00 H new ATOM 0 HG3 ARG A 523 3.459 0.447 -20.237 1.00 0.00 H new ATOM 0 HD2 ARG A 523 1.709 1.148 -18.552 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.670 2.572 -18.205 1.00 0.00 H new ATOM 0 HE ARG A 523 2.345 2.632 -20.973 1.00 0.00 H new ATOM 0 HH11 ARG A 523 0.228 2.492 -18.153 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -1.087 3.361 -18.952 1.00 0.00 H new ATOM 0 HH21 ARG A 523 0.653 3.749 -21.993 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -0.847 4.070 -21.118 1.00 0.00 H new ATOM 795 N GLU A 524 7.178 0.920 -17.290 1.00 0.00 N ATOM 796 CA GLU A 524 8.247 1.893 -17.098 1.00 0.00 C ATOM 797 C GLU A 524 9.615 1.220 -17.172 1.00 0.00 C ATOM 798 O GLU A 524 10.649 1.887 -17.145 1.00 0.00 O ATOM 799 CB GLU A 524 8.087 2.601 -15.751 1.00 0.00 C ATOM 800 CG GLU A 524 7.051 3.712 -15.767 1.00 0.00 C ATOM 801 CD GLU A 524 7.624 5.037 -16.232 1.00 0.00 C ATOM 802 OE1 GLU A 524 8.280 5.719 -15.418 1.00 0.00 O ATOM 803 OE2 GLU A 524 7.415 5.391 -17.412 1.00 0.00 O ATOM 0 H GLU A 524 6.845 0.483 -16.431 1.00 0.00 H new ATOM 0 HA GLU A 524 8.180 2.630 -17.898 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.809 1.867 -14.995 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.049 3.017 -15.452 1.00 0.00 H new ATOM 0 HG2 GLU A 524 6.228 3.427 -16.422 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.636 3.831 -14.766 1.00 0.00 H new ATOM 810 N ASP A 525 9.611 -0.105 -17.264 1.00 0.00 N ATOM 811 CA ASP A 525 10.851 -0.870 -17.342 1.00 0.00 C ATOM 812 C ASP A 525 11.902 -0.297 -16.397 1.00 0.00 C ATOM 813 O ASP A 525 13.017 0.017 -16.812 1.00 0.00 O ATOM 814 CB ASP A 525 11.383 -0.873 -18.776 1.00 0.00 C ATOM 815 CG ASP A 525 10.528 -1.707 -19.709 1.00 0.00 C ATOM 816 OD1 ASP A 525 10.697 -2.944 -19.723 1.00 0.00 O ATOM 817 OD2 ASP A 525 9.689 -1.122 -20.427 1.00 0.00 O ATOM 0 H ASP A 525 8.763 -0.672 -17.286 1.00 0.00 H new ATOM 0 HA ASP A 525 10.637 -1.895 -17.040 1.00 0.00 H new ATOM 0 HB2 ASP A 525 11.427 0.151 -19.146 1.00 0.00 H new ATOM 0 HB3 ASP A 525 12.403 -1.258 -18.781 1.00 0.00 H new ATOM 822 N GLU A 526 11.538 -0.164 -15.125 1.00 0.00 N ATOM 823 CA GLU A 526 12.451 0.373 -14.122 1.00 0.00 C ATOM 824 C GLU A 526 12.489 -0.522 -12.887 1.00 0.00 C ATOM 825 O GLU A 526 11.751 -1.504 -12.795 1.00 0.00 O ATOM 826 CB GLU A 526 12.032 1.790 -13.726 1.00 0.00 C ATOM 827 CG GLU A 526 12.510 2.859 -14.695 1.00 0.00 C ATOM 828 CD GLU A 526 13.996 3.132 -14.577 1.00 0.00 C ATOM 829 OE1 GLU A 526 14.495 3.220 -13.435 1.00 0.00 O ATOM 830 OE2 GLU A 526 14.661 3.257 -15.627 1.00 0.00 O ATOM 0 H GLU A 526 10.619 -0.420 -14.765 1.00 0.00 H new ATOM 0 HA GLU A 526 13.450 0.406 -14.557 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.945 1.833 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 526 12.422 2.011 -12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 526 12.282 2.548 -15.714 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.959 3.782 -14.512 1.00 0.00 H new ATOM 837 N SER A 527 13.354 -0.176 -11.939 1.00 0.00 N ATOM 838 CA SER A 527 13.492 -0.950 -10.711 1.00 0.00 C ATOM 839 C SER A 527 12.209 -0.894 -9.887 1.00 0.00 C ATOM 840 O SER A 527 11.678 0.183 -9.616 1.00 0.00 O ATOM 841 CB SER A 527 14.667 -0.426 -9.883 1.00 0.00 C ATOM 842 OG SER A 527 15.904 -0.849 -10.429 1.00 0.00 O ATOM 0 H SER A 527 13.970 0.635 -11.998 1.00 0.00 H new ATOM 0 HA SER A 527 13.683 -1.988 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.635 0.663 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.579 -0.780 -8.856 1.00 0.00 H new ATOM 0 HG SER A 527 16.639 -0.500 -9.883 1.00 0.00 H new ATOM 848 N TYR A 528 11.717 -2.063 -9.491 1.00 0.00 N ATOM 849 CA TYR A 528 10.495 -2.149 -8.700 1.00 0.00 C ATOM 850 C TYR A 528 10.512 -1.136 -7.559 1.00 0.00 C ATOM 851 O TYR A 528 9.537 -0.421 -7.333 1.00 0.00 O ATOM 852 CB TYR A 528 10.324 -3.562 -8.139 1.00 0.00 C ATOM 853 CG TYR A 528 9.972 -4.591 -9.189 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.758 -4.538 -9.862 1.00 0.00 C ATOM 855 CD2 TYR A 528 10.853 -5.617 -9.507 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.432 -5.477 -10.822 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.536 -6.560 -10.466 1.00 0.00 C ATOM 858 CZ TYR A 528 9.324 -6.485 -11.121 1.00 0.00 C ATOM 859 OH TYR A 528 9.004 -7.423 -12.076 1.00 0.00 O ATOM 0 H TYR A 528 12.145 -2.964 -9.705 1.00 0.00 H new ATOM 0 HA TYR A 528 9.653 -1.920 -9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.248 -3.862 -7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.544 -3.550 -7.378 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.057 -3.750 -9.631 1.00 0.00 H new ATOM 0 HD2 TYR A 528 11.802 -5.679 -8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.483 -5.422 -11.335 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.233 -7.351 -10.701 1.00 0.00 H new ATOM 0 HH TYR A 528 9.741 -8.062 -12.166 1.00 0.00 H new ATOM 869 N GLY A 529 11.631 -1.080 -6.842 1.00 0.00 N ATOM 870 CA GLY A 529 11.756 -0.152 -5.734 1.00 0.00 C ATOM 871 C GLY A 529 11.430 1.274 -6.132 1.00 0.00 C ATOM 872 O GLY A 529 10.518 1.888 -5.576 1.00 0.00 O ATOM 0 H GLY A 529 12.453 -1.661 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.091 -0.462 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.772 -0.193 -5.342 1.00 0.00 H new ATOM 876 N TYR A 530 12.176 1.803 -7.095 1.00 0.00 N ATOM 877 CA TYR A 530 11.963 3.167 -7.564 1.00 0.00 C ATOM 878 C TYR A 530 10.474 3.486 -7.657 1.00 0.00 C ATOM 879 O TYR A 530 10.018 4.522 -7.173 1.00 0.00 O ATOM 880 CB TYR A 530 12.626 3.369 -8.928 1.00 0.00 C ATOM 881 CG TYR A 530 12.225 4.657 -9.611 1.00 0.00 C ATOM 882 CD1 TYR A 530 11.107 4.712 -10.434 1.00 0.00 C ATOM 883 CD2 TYR A 530 12.965 5.819 -9.434 1.00 0.00 C ATOM 884 CE1 TYR A 530 10.738 5.886 -11.060 1.00 0.00 C ATOM 885 CE2 TYR A 530 12.603 6.999 -10.055 1.00 0.00 C ATOM 886 CZ TYR A 530 11.489 7.027 -10.868 1.00 0.00 C ATOM 887 OH TYR A 530 11.124 8.199 -11.489 1.00 0.00 O ATOM 0 H TYR A 530 12.933 1.308 -7.566 1.00 0.00 H new ATOM 0 HA TYR A 530 12.417 3.847 -6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.709 3.356 -8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.370 2.530 -9.575 1.00 0.00 H new ATOM 0 HD1 TYR A 530 10.516 3.821 -10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 530 13.839 5.800 -8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 530 9.866 5.911 -11.697 1.00 0.00 H new ATOM 0 HE2 TYR A 530 13.189 7.894 -9.905 1.00 0.00 H new ATOM 0 HH TYR A 530 11.757 8.908 -11.248 1.00 0.00 H new ATOM 897 N VAL A 531 9.721 2.586 -8.283 1.00 0.00 N ATOM 898 CA VAL A 531 8.283 2.769 -8.439 1.00 0.00 C ATOM 899 C VAL A 531 7.617 3.054 -7.098 1.00 0.00 C ATOM 900 O VAL A 531 7.062 4.132 -6.884 1.00 0.00 O ATOM 901 CB VAL A 531 7.626 1.529 -9.074 1.00 0.00 C ATOM 902 CG1 VAL A 531 6.121 1.720 -9.184 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.236 1.242 -10.437 1.00 0.00 C ATOM 0 H VAL A 531 10.083 1.724 -8.690 1.00 0.00 H new ATOM 0 HA VAL A 531 8.142 3.624 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 531 7.813 0.670 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.674 0.834 -9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.700 1.873 -8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.909 2.590 -9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.760 0.363 -10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 531 8.081 2.099 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.305 1.058 -10.326 1.00 0.00 H new ATOM 913 N LEU A 532 7.675 2.080 -6.196 1.00 0.00 N ATOM 914 CA LEU A 532 7.077 2.225 -4.873 1.00 0.00 C ATOM 915 C LEU A 532 7.755 1.303 -3.865 1.00 0.00 C ATOM 916 O LEU A 532 7.704 0.078 -3.974 1.00 0.00 O ATOM 917 CB LEU A 532 5.579 1.921 -4.932 1.00 0.00 C ATOM 918 CG LEU A 532 4.792 2.169 -3.645 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.488 3.651 -3.483 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.506 1.356 -3.641 1.00 0.00 C ATOM 0 H LEU A 532 8.130 1.181 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 532 7.220 3.256 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.138 2.524 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.452 0.876 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 532 5.403 1.849 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.927 3.809 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.422 4.211 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.897 3.996 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.959 1.545 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.890 1.645 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.746 0.295 -3.710 1.00 0.00 H new ATOM 932 N PRO A 533 8.405 1.904 -2.857 1.00 0.00 N ATOM 933 CA PRO A 533 9.104 1.156 -1.808 1.00 0.00 C ATOM 934 C PRO A 533 8.141 0.423 -0.880 1.00 0.00 C ATOM 935 O PRO A 533 6.924 0.523 -1.028 1.00 0.00 O ATOM 936 CB PRO A 533 9.862 2.243 -1.042 1.00 0.00 C ATOM 937 CG PRO A 533 9.081 3.489 -1.280 1.00 0.00 C ATOM 938 CD PRO A 533 8.508 3.360 -2.664 1.00 0.00 C ATOM 0 HA PRO A 533 9.748 0.379 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.921 2.010 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.885 2.342 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.290 3.601 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.718 4.370 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.535 3.845 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.155 3.819 -3.411 1.00 0.00 H new ATOM 946 N ASN A 534 8.695 -0.314 0.078 1.00 0.00 N ATOM 947 CA ASN A 534 7.885 -1.064 1.030 1.00 0.00 C ATOM 948 C ASN A 534 7.252 -0.132 2.059 1.00 0.00 C ATOM 949 O ASN A 534 6.051 -0.203 2.321 1.00 0.00 O ATOM 950 CB ASN A 534 8.738 -2.118 1.738 1.00 0.00 C ATOM 951 CG ASN A 534 7.899 -3.119 2.510 1.00 0.00 C ATOM 952 OD1 ASN A 534 6.817 -3.509 2.069 1.00 0.00 O ATOM 953 ND2 ASN A 534 8.395 -3.539 3.668 1.00 0.00 N ATOM 0 H ASN A 534 9.701 -0.407 0.215 1.00 0.00 H new ATOM 0 HA ASN A 534 7.088 -1.562 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.343 -2.647 1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 534 9.428 -1.623 2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 534 7.875 -4.212 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 534 9.296 -3.189 3.994 1.00 0.00 H new ATOM 960 N HIS A 535 8.068 0.743 2.638 1.00 0.00 N ATOM 961 CA HIS A 535 7.588 1.692 3.637 1.00 0.00 C ATOM 962 C HIS A 535 6.389 2.475 3.110 1.00 0.00 C ATOM 963 O HIS A 535 5.360 2.577 3.777 1.00 0.00 O ATOM 964 CB HIS A 535 8.706 2.654 4.036 1.00 0.00 C ATOM 965 CG HIS A 535 9.416 3.266 2.867 1.00 0.00 C ATOM 966 ND1 HIS A 535 8.963 4.395 2.219 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.554 2.900 2.232 1.00 0.00 C ATOM 968 CE1 HIS A 535 9.790 4.696 1.234 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.764 3.804 1.221 1.00 0.00 N ATOM 0 H HIS A 535 9.065 0.815 2.433 1.00 0.00 H new ATOM 0 HA HIS A 535 7.274 1.129 4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.287 3.449 4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.430 2.121 4.652 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.180 2.054 2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 535 9.687 5.529 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.546 3.789 0.566 1.00 0.00 H new ATOM 977 N MET A 536 6.531 3.028 1.910 1.00 0.00 N ATOM 978 CA MET A 536 5.460 3.803 1.294 1.00 0.00 C ATOM 979 C MET A 536 4.264 2.914 0.970 1.00 0.00 C ATOM 980 O MET A 536 3.136 3.205 1.369 1.00 0.00 O ATOM 981 CB MET A 536 5.962 4.486 0.021 1.00 0.00 C ATOM 982 CG MET A 536 5.079 5.633 -0.442 1.00 0.00 C ATOM 983 SD MET A 536 5.438 7.177 0.417 1.00 0.00 S ATOM 984 CE MET A 536 7.041 7.582 -0.270 1.00 0.00 C ATOM 0 H MET A 536 7.377 2.954 1.345 1.00 0.00 H new ATOM 0 HA MET A 536 5.142 4.566 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.971 4.862 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.030 3.746 -0.776 1.00 0.00 H new ATOM 0 HG2 MET A 536 5.212 5.779 -1.514 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.034 5.368 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.209 8.656 -0.192 1.00 0.00 H new ATOM 0 HE2 MET A 536 7.818 7.052 0.281 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.073 7.285 -1.318 1.00 0.00 H new ATOM 994 N MET A 537 4.517 1.830 0.244 1.00 0.00 N ATOM 995 CA MET A 537 3.460 0.898 -0.132 1.00 0.00 C ATOM 996 C MET A 537 2.594 0.543 1.073 1.00 0.00 C ATOM 997 O MET A 537 1.379 0.740 1.056 1.00 0.00 O ATOM 998 CB MET A 537 4.061 -0.372 -0.736 1.00 0.00 C ATOM 999 CG MET A 537 3.021 -1.339 -1.277 1.00 0.00 C ATOM 1000 SD MET A 537 3.634 -2.314 -2.664 1.00 0.00 S ATOM 1001 CE MET A 537 4.540 -3.597 -1.802 1.00 0.00 C ATOM 0 H MET A 537 5.444 1.575 -0.096 1.00 0.00 H new ATOM 0 HA MET A 537 2.831 1.383 -0.878 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.741 -0.095 -1.541 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.656 -0.879 0.023 1.00 0.00 H new ATOM 0 HG2 MET A 537 2.704 -2.010 -0.478 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.140 -0.780 -1.592 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.448 -3.836 -2.356 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.805 -3.248 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 537 3.919 -4.489 -1.721 1.00 0.00 H new ATOM 1011 N LEU A 538 3.227 0.018 2.116 1.00 0.00 N ATOM 1012 CA LEU A 538 2.515 -0.366 3.329 1.00 0.00 C ATOM 1013 C LEU A 538 1.743 0.817 3.905 1.00 0.00 C ATOM 1014 O LEU A 538 0.523 0.761 4.058 1.00 0.00 O ATOM 1015 CB LEU A 538 3.496 -0.905 4.372 1.00 0.00 C ATOM 1016 CG LEU A 538 3.955 -2.350 4.177 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.245 -2.608 4.940 1.00 0.00 C ATOM 1018 CD2 LEU A 538 2.869 -3.319 4.620 1.00 0.00 C ATOM 0 H LEU A 538 4.232 -0.151 2.146 1.00 0.00 H new ATOM 0 HA LEU A 538 1.803 -1.150 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.377 -0.263 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.032 -0.822 5.355 1.00 0.00 H new ATOM 0 HG LEU A 538 4.146 -2.510 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.556 -3.642 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.024 -1.938 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.081 -2.430 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.213 -4.343 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.646 -3.158 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 538 1.969 -3.151 4.029 1.00 0.00 H new ATOM 1030 N LYS A 539 2.462 1.889 4.220 1.00 0.00 N ATOM 1031 CA LYS A 539 1.846 3.089 4.775 1.00 0.00 C ATOM 1032 C LYS A 539 0.480 3.340 4.144 1.00 0.00 C ATOM 1033 O LYS A 539 -0.496 3.610 4.844 1.00 0.00 O ATOM 1034 CB LYS A 539 2.753 4.301 4.555 1.00 0.00 C ATOM 1035 CG LYS A 539 2.189 5.593 5.121 1.00 0.00 C ATOM 1036 CD LYS A 539 3.146 6.756 4.917 1.00 0.00 C ATOM 1037 CE LYS A 539 2.792 7.933 5.813 1.00 0.00 C ATOM 1038 NZ LYS A 539 3.354 7.776 7.183 1.00 0.00 N ATOM 0 H LYS A 539 3.473 1.952 4.100 1.00 0.00 H new ATOM 0 HA LYS A 539 1.709 2.936 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.723 4.106 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.925 4.427 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.236 5.816 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.988 5.468 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 539 4.165 6.431 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 539 3.120 7.071 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 539 3.170 8.854 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 539 1.708 8.030 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 3.091 8.598 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 2.974 6.911 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 4.390 7.709 7.128 1.00 0.00 H new ATOM 1052 N ILE A 540 0.420 3.250 2.820 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.827 3.465 2.096 1.00 0.00 C ATOM 1054 C ILE A 540 -1.824 2.346 2.374 1.00 0.00 C ATOM 1055 O ILE A 540 -2.956 2.597 2.786 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.588 3.560 0.578 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.210 4.822 0.243 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.913 3.551 -0.169 1.00 0.00 C ATOM 1059 CD1 ILE A 540 0.999 4.714 -1.044 1.00 0.00 C ATOM 0 H ILE A 540 1.220 3.030 2.227 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.238 4.410 2.450 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.009 2.692 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.475 5.667 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 540 0.895 5.037 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.727 3.619 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.447 2.626 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.516 4.402 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.540 5.644 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.709 3.890 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.317 4.530 -1.874 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.395 1.109 2.147 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.249 -0.050 2.376 1.00 0.00 C ATOM 1073 C ALA A 541 -2.846 -0.024 3.779 1.00 0.00 C ATOM 1074 O ALA A 541 -3.923 -0.570 4.015 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.464 -1.335 2.159 1.00 0.00 C ATOM 0 H ALA A 541 -0.461 0.884 1.805 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.070 -0.012 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.114 -2.192 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -1.091 -1.365 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.624 -1.370 2.853 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.138 0.614 4.706 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.599 0.710 6.086 1.00 0.00 C ATOM 1083 C GLU A 542 -3.497 1.929 6.277 1.00 0.00 C ATOM 1084 O GLU A 542 -4.505 1.866 6.979 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.406 0.787 7.041 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.416 -0.353 6.872 1.00 0.00 C ATOM 1087 CD GLU A 542 0.879 -0.118 7.625 1.00 0.00 C ATOM 1088 OE1 GLU A 542 1.134 1.040 8.018 1.00 0.00 O ATOM 1089 OE2 GLU A 542 1.637 -1.090 7.820 1.00 0.00 O ATOM 0 H GLU A 542 -1.244 1.071 4.527 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.179 -0.185 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.888 1.733 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.773 0.789 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -0.872 -1.280 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.197 -0.485 5.812 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.121 3.038 5.647 1.00 0.00 N ATOM 1097 CA GLU A 543 -3.892 4.272 5.748 1.00 0.00 C ATOM 1098 C GLU A 543 -5.287 4.092 5.156 1.00 0.00 C ATOM 1099 O GLU A 543 -6.251 4.710 5.611 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.165 5.413 5.033 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.090 6.074 5.879 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.660 6.807 7.078 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -2.990 8.003 6.942 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.776 6.182 8.154 1.00 0.00 O ATOM 0 H GLU A 543 -2.288 3.107 5.062 1.00 0.00 H new ATOM 0 HA GLU A 543 -3.994 4.521 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.711 5.028 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -3.894 6.166 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -1.386 5.316 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.528 6.775 5.263 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.387 3.244 4.139 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.663 2.982 3.483 1.00 0.00 C ATOM 1113 C LEU A 544 -7.383 4.286 3.153 1.00 0.00 C ATOM 1114 O LEU A 544 -8.545 4.489 3.506 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.548 2.110 4.375 1.00 0.00 C ATOM 1116 CG LEU A 544 -7.027 0.701 4.664 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -8.088 -0.124 5.377 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.595 0.018 3.375 1.00 0.00 C ATOM 0 H LEU A 544 -4.599 2.726 3.750 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.463 2.453 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.692 2.625 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.529 2.024 3.907 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.159 0.782 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.700 -1.123 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.350 0.357 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.975 -0.197 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.227 -0.983 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.446 -0.051 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.802 0.599 2.904 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.679 5.192 2.459 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.232 6.491 2.063 1.00 0.00 C ATOM 1132 C PRO A 545 -8.308 6.361 0.991 1.00 0.00 C ATOM 1133 O PRO A 545 -8.012 6.355 -0.204 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.016 7.241 1.512 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.083 6.170 1.062 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.289 5.017 2.005 1.00 0.00 C ATOM 0 HA PRO A 545 -7.721 6.997 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.295 7.896 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.559 7.869 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.294 5.876 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.050 6.516 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.147 4.059 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.587 5.049 2.838 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.560 6.256 1.426 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.682 6.128 0.504 1.00 0.00 C ATOM 1146 C LYS A 546 -10.555 7.119 -0.649 1.00 0.00 C ATOM 1147 O LYS A 546 -11.034 6.864 -1.753 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.003 6.354 1.242 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.274 7.811 1.573 1.00 0.00 C ATOM 1150 CD LYS A 546 -11.731 8.181 2.943 1.00 0.00 C ATOM 1151 CE LYS A 546 -12.716 7.825 4.047 1.00 0.00 C ATOM 1152 NZ LYS A 546 -13.753 8.878 4.226 1.00 0.00 N ATOM 0 H LYS A 546 -9.822 6.257 2.412 1.00 0.00 H new ATOM 0 HA LYS A 546 -10.670 5.118 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -12.821 5.971 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -11.997 5.775 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.818 8.448 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -13.347 7.998 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -10.788 7.662 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -11.518 9.249 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -13.199 6.877 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -12.176 7.684 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -14.404 8.598 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -13.295 9.778 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -14.285 8.995 3.340 1.00 0.00 H new ATOM 1166 N GLU A 547 -9.907 8.249 -0.383 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.718 9.278 -1.400 1.00 0.00 C ATOM 1168 C GLU A 547 -8.336 9.166 -2.036 1.00 0.00 C ATOM 1169 O GLU A 547 -7.399 8.618 -1.454 1.00 0.00 O ATOM 1170 CB GLU A 547 -9.899 10.669 -0.789 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.338 11.157 -0.804 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.580 12.287 0.178 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -10.989 12.256 1.277 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -12.362 13.203 -0.154 1.00 0.00 O ATOM 0 H GLU A 547 -9.505 8.475 0.527 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.469 9.129 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.540 10.654 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.277 11.380 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.594 11.493 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.002 10.326 -0.567 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.204 9.696 -3.261 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.941 9.668 -4.004 1.00 0.00 C ATOM 1183 C PRO A 548 -5.886 10.582 -3.389 1.00 0.00 C ATOM 1184 O PRO A 548 -4.688 10.386 -3.592 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.336 10.170 -5.395 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.552 11.000 -5.167 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.278 10.363 -4.015 1.00 0.00 C ATOM 0 HA PRO A 548 -6.492 8.675 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.536 10.756 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.544 9.341 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.283 12.031 -4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -9.180 11.026 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.795 11.105 -3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -10.030 9.652 -4.358 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.340 11.579 -2.636 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.434 12.522 -1.991 1.00 0.00 C ATOM 1197 C GLN A 549 -4.553 11.817 -0.966 1.00 0.00 C ATOM 1198 O GLN A 549 -3.343 12.035 -0.917 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.227 13.642 -1.316 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.365 14.808 -0.858 1.00 0.00 C ATOM 1201 CD GLN A 549 -6.184 15.967 -0.328 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -7.413 15.903 -0.280 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.507 17.037 0.074 1.00 0.00 N ATOM 0 H GLN A 549 -7.329 11.754 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.791 12.953 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.982 14.010 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.757 13.233 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.681 14.466 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.753 15.152 -1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -4.489 17.047 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.006 17.848 0.440 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.168 10.969 -0.147 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.424 10.245 0.867 1.00 0.00 C ATOM 1214 C GLY A 550 -3.229 9.510 0.294 1.00 0.00 C ATOM 1215 O GLY A 550 -2.209 9.352 0.966 1.00 0.00 O ATOM 0 H GLY A 550 -6.168 10.771 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.085 10.943 1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.085 9.531 1.358 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.354 9.058 -0.949 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.275 8.335 -1.610 1.00 0.00 C ATOM 1221 C ILE A 551 -1.177 9.288 -2.071 1.00 0.00 C ATOM 1222 O ILE A 551 -0.040 8.875 -2.302 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.792 7.539 -2.824 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.886 6.561 -2.391 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.646 6.798 -3.497 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.282 7.137 -2.482 1.00 0.00 C ATOM 0 H ILE A 551 -4.191 9.180 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.865 7.639 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.220 8.237 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.829 5.667 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.697 6.248 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.026 6.240 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.898 7.515 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.192 6.107 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.006 6.389 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.356 8.014 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.491 7.424 -3.513 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.524 10.563 -2.202 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.567 11.575 -2.632 1.00 0.00 C ATOM 1240 C ILE A 552 0.133 12.213 -1.437 1.00 0.00 C ATOM 1241 O ILE A 552 1.322 12.523 -1.495 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.250 12.678 -3.462 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.943 12.073 -4.684 1.00 0.00 C ATOM 1244 CG2 ILE A 552 -0.232 13.726 -3.889 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.554 13.105 -5.606 1.00 0.00 C ATOM 0 H ILE A 552 -2.461 10.920 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 552 0.171 11.068 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 552 -2.005 13.163 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.221 11.480 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.724 11.391 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.729 14.499 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.220 14.175 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.543 13.255 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -3.028 12.604 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.301 13.683 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.774 13.773 -5.972 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.613 12.405 -0.354 1.00 0.00 N ATOM 1258 CA ALA A 553 -0.063 13.002 0.856 1.00 0.00 C ATOM 1259 C ALA A 553 0.894 12.043 1.556 1.00 0.00 C ATOM 1260 O ALA A 553 1.889 12.464 2.146 1.00 0.00 O ATOM 1261 CB ALA A 553 -1.185 13.412 1.799 1.00 0.00 C ATOM 0 H ALA A 553 -1.600 12.156 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 553 0.500 13.890 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.760 13.857 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.829 14.139 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.771 12.534 2.070 1.00 0.00 H new ATOM 1267 N CYS A 554 0.586 10.752 1.487 1.00 0.00 N ATOM 1268 CA CYS A 554 1.418 9.733 2.115 1.00 0.00 C ATOM 1269 C CYS A 554 2.877 9.887 1.696 1.00 0.00 C ATOM 1270 O CYS A 554 3.789 9.644 2.487 1.00 0.00 O ATOM 1271 CB CYS A 554 0.915 8.336 1.748 1.00 0.00 C ATOM 1272 SG CYS A 554 1.183 7.886 0.018 1.00 0.00 S ATOM 0 H CYS A 554 -0.234 10.387 1.002 1.00 0.00 H new ATOM 0 HA CYS A 554 1.353 9.863 3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.412 7.604 2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 554 -0.151 8.276 1.967 1.00 0.00 H new ATOM 0 HG CYS A 554 0.785 8.857 -0.750 1.00 0.00 H new ATOM 1278 N CYS A 555 3.088 10.291 0.449 1.00 0.00 N ATOM 1279 CA CYS A 555 4.437 10.476 -0.077 1.00 0.00 C ATOM 1280 C CYS A 555 4.857 11.939 0.007 1.00 0.00 C ATOM 1281 O CYS A 555 4.023 12.840 -0.071 1.00 0.00 O ATOM 1282 CB CYS A 555 4.512 9.993 -1.526 1.00 0.00 C ATOM 1283 SG CYS A 555 3.060 10.410 -2.520 1.00 0.00 S ATOM 0 H CYS A 555 2.344 10.497 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 555 5.122 9.885 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.396 10.424 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.643 8.911 -1.531 1.00 0.00 H new ATOM 0 HG CYS A 555 2.403 11.373 -1.946 1.00 0.00 H new ATOM 1289 N ASN A 556 6.156 12.168 0.168 1.00 0.00 N ATOM 1290 CA ASN A 556 6.688 13.523 0.265 1.00 0.00 C ATOM 1291 C ASN A 556 8.210 13.518 0.166 1.00 0.00 C ATOM 1292 O ASN A 556 8.914 13.067 1.070 1.00 0.00 O ATOM 1293 CB ASN A 556 6.252 14.171 1.580 1.00 0.00 C ATOM 1294 CG ASN A 556 6.164 15.681 1.479 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.112 16.393 1.810 1.00 0.00 O ATOM 1296 ND2 ASN A 556 5.020 16.177 1.021 1.00 0.00 N ATOM 0 H ASN A 556 6.860 11.433 0.234 1.00 0.00 H new ATOM 0 HA ASN A 556 6.290 14.104 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 556 5.281 13.772 1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 556 6.958 13.903 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 556 4.901 17.186 0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 556 4.261 15.549 0.758 1.00 0.00 H new ATOM 1303 N PRO A 557 8.732 14.033 -0.957 1.00 0.00 N ATOM 1304 CA PRO A 557 7.904 14.572 -2.040 1.00 0.00 C ATOM 1305 C PRO A 557 7.136 13.483 -2.780 1.00 0.00 C ATOM 1306 O PRO A 557 7.317 12.294 -2.517 1.00 0.00 O ATOM 1307 CB PRO A 557 8.924 15.233 -2.970 1.00 0.00 C ATOM 1308 CG PRO A 557 10.199 14.508 -2.711 1.00 0.00 C ATOM 1309 CD PRO A 557 10.171 14.127 -1.257 1.00 0.00 C ATOM 0 HA PRO A 557 7.140 15.255 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.623 15.144 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.023 16.297 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.281 13.625 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.059 15.140 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.681 13.180 -1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.663 14.875 -0.636 1.00 0.00 H new ATOM 1317 N VAL A 558 6.277 13.896 -3.706 1.00 0.00 N ATOM 1318 CA VAL A 558 5.482 12.955 -4.486 1.00 0.00 C ATOM 1319 C VAL A 558 6.150 12.644 -5.820 1.00 0.00 C ATOM 1320 O VAL A 558 6.503 13.539 -6.589 1.00 0.00 O ATOM 1321 CB VAL A 558 4.065 13.500 -4.748 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.241 12.490 -5.532 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.381 13.857 -3.437 1.00 0.00 C ATOM 0 H VAL A 558 6.114 14.877 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 558 5.409 12.040 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 558 4.148 14.407 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.243 12.892 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.725 12.289 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.164 11.564 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.381 14.240 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.308 12.968 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.963 14.619 -2.919 1.00 0.00 H new ATOM 1333 N PRO A 559 6.329 11.346 -6.104 1.00 0.00 N ATOM 1334 CA PRO A 559 6.955 10.886 -7.347 1.00 0.00 C ATOM 1335 C PRO A 559 6.073 11.132 -8.567 1.00 0.00 C ATOM 1336 O PRO A 559 4.862 11.327 -8.457 1.00 0.00 O ATOM 1337 CB PRO A 559 7.141 9.384 -7.117 1.00 0.00 C ATOM 1338 CG PRO A 559 6.095 9.022 -6.120 1.00 0.00 C ATOM 1339 CD PRO A 559 5.932 10.226 -5.234 1.00 0.00 C ATOM 0 HA PRO A 559 7.883 11.418 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.016 8.823 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.140 9.162 -6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.156 8.771 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.394 8.149 -5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.905 10.332 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.564 10.162 -4.348 1.00 0.00 H new ATOM 1347 N PRO A 560 6.691 11.123 -9.757 1.00 0.00 N ATOM 1348 CA PRO A 560 5.980 11.342 -11.020 1.00 0.00 C ATOM 1349 C PRO A 560 5.061 10.179 -11.378 1.00 0.00 C ATOM 1350 O PRO A 560 4.271 10.265 -12.319 1.00 0.00 O ATOM 1351 CB PRO A 560 7.109 11.467 -12.046 1.00 0.00 C ATOM 1352 CG PRO A 560 8.247 10.713 -11.450 1.00 0.00 C ATOM 1353 CD PRO A 560 8.131 10.896 -9.962 1.00 0.00 C ATOM 0 HA PRO A 560 5.328 12.215 -10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.817 11.048 -13.009 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.373 12.510 -12.219 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.199 9.658 -11.718 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.201 11.092 -11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.480 10.017 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.725 11.741 -9.614 1.00 0.00 H new ATOM 1361 N LEU A 561 5.169 9.092 -10.622 1.00 0.00 N ATOM 1362 CA LEU A 561 4.346 7.911 -10.859 1.00 0.00 C ATOM 1363 C LEU A 561 3.053 7.977 -10.054 1.00 0.00 C ATOM 1364 O LEU A 561 1.967 8.130 -10.614 1.00 0.00 O ATOM 1365 CB LEU A 561 5.122 6.644 -10.496 1.00 0.00 C ATOM 1366 CG LEU A 561 6.392 6.379 -11.305 1.00 0.00 C ATOM 1367 CD1 LEU A 561 7.168 5.212 -10.715 1.00 0.00 C ATOM 1368 CD2 LEU A 561 6.049 6.110 -12.763 1.00 0.00 C ATOM 0 H LEU A 561 5.818 9.004 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 561 4.091 7.883 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.392 6.697 -9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.456 5.789 -10.612 1.00 0.00 H new ATOM 0 HG LEU A 561 7.021 7.268 -11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.068 5.039 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.446 5.443 -9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.546 4.317 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.965 5.924 -13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.399 5.237 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.537 6.976 -13.182 1.00 0.00 H new ATOM 1380 N VAL A 562 3.176 7.863 -8.735 1.00 0.00 N ATOM 1381 CA VAL A 562 2.017 7.914 -7.852 1.00 0.00 C ATOM 1382 C VAL A 562 0.983 8.914 -8.358 1.00 0.00 C ATOM 1383 O VAL A 562 -0.208 8.612 -8.421 1.00 0.00 O ATOM 1384 CB VAL A 562 2.422 8.293 -6.415 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.189 8.534 -5.558 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.302 7.211 -5.807 1.00 0.00 C ATOM 0 H VAL A 562 4.067 7.735 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 562 1.580 6.916 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 562 2.996 9.219 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.495 8.801 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.602 9.347 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.585 7.627 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.579 7.495 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.756 6.268 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.203 7.094 -6.409 1.00 0.00 H new ATOM 1396 N ARG A 563 1.448 10.106 -8.717 1.00 0.00 N ATOM 1397 CA ARG A 563 0.564 11.152 -9.217 1.00 0.00 C ATOM 1398 C ARG A 563 -0.029 10.763 -10.568 1.00 0.00 C ATOM 1399 O ARG A 563 -1.222 10.945 -10.808 1.00 0.00 O ATOM 1400 CB ARG A 563 1.323 12.474 -9.343 1.00 0.00 C ATOM 1401 CG ARG A 563 0.456 13.699 -9.105 1.00 0.00 C ATOM 1402 CD ARG A 563 0.454 14.104 -7.639 1.00 0.00 C ATOM 1403 NE ARG A 563 1.500 15.078 -7.338 1.00 0.00 N ATOM 1404 CZ ARG A 563 1.383 16.379 -7.576 1.00 0.00 C ATOM 1405 NH1 ARG A 563 0.271 16.861 -8.115 1.00 0.00 N ATOM 1406 NH2 ARG A 563 2.380 17.202 -7.275 1.00 0.00 N ATOM 0 H ARG A 563 2.432 10.371 -8.671 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.251 11.275 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.148 12.479 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 563 1.762 12.538 -10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 563 0.821 14.528 -9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.564 13.492 -9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.518 14.524 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 563 0.594 13.219 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 563 2.368 14.740 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -0.497 16.232 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 563 0.184 17.861 -8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 563 3.237 16.835 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 563 2.289 18.201 -7.458 1.00 0.00 H new ATOM 1420 N GLN A 564 0.813 10.226 -11.445 1.00 0.00 N ATOM 1421 CA GLN A 564 0.372 9.813 -12.772 1.00 0.00 C ATOM 1422 C GLN A 564 -0.679 8.712 -12.678 1.00 0.00 C ATOM 1423 O GLN A 564 -1.786 8.853 -13.199 1.00 0.00 O ATOM 1424 CB GLN A 564 1.563 9.327 -13.601 1.00 0.00 C ATOM 1425 CG GLN A 564 1.227 9.081 -15.063 1.00 0.00 C ATOM 1426 CD GLN A 564 0.734 7.671 -15.319 1.00 0.00 C ATOM 1427 OE1 GLN A 564 -0.471 7.418 -15.342 1.00 0.00 O ATOM 1428 NE2 GLN A 564 1.664 6.744 -15.513 1.00 0.00 N ATOM 0 H GLN A 564 1.804 10.067 -11.261 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.075 10.677 -13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.363 10.065 -13.540 1.00 0.00 H new ATOM 0 HB3 GLN A 564 1.946 8.405 -13.165 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.464 9.792 -15.381 1.00 0.00 H new ATOM 0 HG3 GLN A 564 2.112 9.269 -15.672 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.651 6.998 -15.485 1.00 0.00 H new ATOM 0 HE22 GLN A 564 1.391 5.777 -15.690 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.326 7.619 -12.011 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.239 6.494 -11.850 1.00 0.00 C ATOM 1439 C GLN A 565 -2.072 6.646 -10.581 1.00 0.00 C ATOM 1440 O GLN A 565 -2.669 5.682 -10.100 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.460 5.178 -11.808 1.00 0.00 C ATOM 1442 CG GLN A 565 0.362 4.918 -13.060 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.457 4.303 -14.178 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.428 4.895 -14.650 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.068 3.108 -14.609 1.00 0.00 N ATOM 0 H GLN A 565 0.586 7.488 -11.573 1.00 0.00 H new ATOM 0 HA GLN A 565 -1.913 6.481 -12.706 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.203 5.185 -10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.160 4.355 -11.666 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.796 5.856 -13.406 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.191 4.254 -12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.743 2.653 -14.189 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -0.580 2.645 -15.360 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.106 7.861 -10.044 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.866 8.138 -8.832 1.00 0.00 C ATOM 1456 C ILE A 566 -4.281 7.578 -8.930 1.00 0.00 C ATOM 1457 O ILE A 566 -4.850 7.126 -7.938 1.00 0.00 O ATOM 1458 CB ILE A 566 -2.943 9.650 -8.549 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.479 9.901 -7.138 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.818 10.339 -9.585 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -2.804 9.061 -6.077 1.00 0.00 C ATOM 0 H ILE A 566 -1.616 8.669 -10.429 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.340 7.649 -8.012 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.939 10.068 -8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.351 10.955 -6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.550 9.698 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.863 11.407 -9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.396 10.185 -10.578 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.823 9.920 -9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.234 9.291 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -2.954 8.005 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.736 9.281 -6.064 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.843 7.611 -10.134 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.192 7.106 -10.362 1.00 0.00 C ATOM 1475 C ASN A 567 -6.280 5.621 -10.026 1.00 0.00 C ATOM 1476 O ASN A 567 -7.173 5.192 -9.295 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.605 7.336 -11.817 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.770 8.808 -12.146 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -7.173 9.603 -11.297 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -6.458 9.176 -13.383 1.00 0.00 N ATOM 0 H ASN A 567 -4.385 7.982 -10.967 1.00 0.00 H new ATOM 0 HA ASN A 567 -6.873 7.650 -9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -5.855 6.901 -12.478 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.543 6.816 -12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -6.549 10.153 -13.663 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -6.128 8.482 -14.054 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.348 4.841 -10.564 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.321 3.403 -10.320 1.00 0.00 C ATOM 1489 C GLU A 568 -5.203 3.106 -8.828 1.00 0.00 C ATOM 1490 O GLU A 568 -5.977 2.325 -8.277 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.157 2.757 -11.074 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.411 1.310 -11.461 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.679 1.137 -12.274 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -5.888 1.925 -13.220 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -6.462 0.215 -11.965 1.00 0.00 O ATOM 0 H GLU A 568 -4.602 5.180 -11.171 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.258 2.981 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -3.954 3.335 -11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.262 2.807 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.562 0.937 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.477 0.703 -10.558 1.00 0.00 H new ATOM 1502 N MET A 569 -4.227 3.736 -8.181 1.00 0.00 N ATOM 1503 CA MET A 569 -4.007 3.539 -6.753 1.00 0.00 C ATOM 1504 C MET A 569 -5.302 3.738 -5.971 1.00 0.00 C ATOM 1505 O MET A 569 -5.729 2.858 -5.224 1.00 0.00 O ATOM 1506 CB MET A 569 -2.936 4.505 -6.243 1.00 0.00 C ATOM 1507 CG MET A 569 -1.609 4.381 -6.972 1.00 0.00 C ATOM 1508 SD MET A 569 -0.262 5.216 -6.111 1.00 0.00 S ATOM 1509 CE MET A 569 0.396 3.871 -5.127 1.00 0.00 C ATOM 0 H MET A 569 -3.577 4.386 -8.623 1.00 0.00 H new ATOM 0 HA MET A 569 -3.665 2.515 -6.601 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.302 5.527 -6.344 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.775 4.327 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.361 3.326 -7.090 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.709 4.799 -7.974 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.415 4.108 -4.821 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.225 3.730 -4.242 1.00 0.00 H new ATOM 0 HE3 MET A 569 0.399 2.955 -5.718 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.922 4.901 -6.148 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.169 5.215 -5.459 1.00 0.00 C ATOM 1521 C HIS A 570 -8.175 4.077 -5.610 1.00 0.00 C ATOM 1522 O HIS A 570 -8.785 3.640 -4.633 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.765 6.513 -6.004 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.176 6.756 -5.564 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.096 7.438 -6.331 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.823 6.401 -4.429 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.248 7.494 -5.686 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.109 6.872 -4.530 1.00 0.00 N ATOM 0 H HIS A 570 -5.581 5.641 -6.762 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.947 5.343 -4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.144 7.350 -5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.732 6.489 -7.093 1.00 0.00 H new ATOM 0 HD1 HIS A 570 -9.916 7.837 -7.252 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.406 5.850 -3.599 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.150 7.968 -6.044 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.342 3.602 -6.839 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.275 2.515 -7.118 1.00 0.00 C ATOM 1538 C LEU A 571 -9.002 1.317 -6.214 1.00 0.00 C ATOM 1539 O LEU A 571 -9.922 0.743 -5.631 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.173 2.094 -8.586 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.757 3.073 -9.606 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.495 2.585 -11.023 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.248 3.261 -9.372 1.00 0.00 C ATOM 0 H LEU A 571 -7.844 3.952 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.284 2.875 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.122 1.935 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.676 1.134 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.266 4.038 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -9.917 3.293 -11.736 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.421 2.503 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -9.959 1.609 -11.163 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.646 3.961 -10.107 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.756 2.302 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.412 3.656 -8.369 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.731 0.946 -6.101 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.336 -0.182 -5.265 1.00 0.00 C ATOM 1557 C LEU A 572 -7.820 0.006 -3.831 1.00 0.00 C ATOM 1558 O LEU A 572 -8.553 -0.828 -3.298 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.815 -0.348 -5.284 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.169 -0.450 -6.666 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.653 -0.441 -6.548 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.642 -1.705 -7.385 1.00 0.00 C ATOM 0 H LEU A 572 -6.957 1.410 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.799 -1.082 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.371 0.497 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.560 -1.244 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.473 0.417 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.210 -0.514 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.330 0.486 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.330 -1.289 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.172 -1.761 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.368 -2.584 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.725 -1.671 -7.503 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.407 1.107 -3.212 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.802 1.406 -1.841 1.00 0.00 C ATOM 1576 C ILE A 573 -9.303 1.217 -1.648 1.00 0.00 C ATOM 1577 O ILE A 573 -9.746 0.715 -0.615 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.422 2.846 -1.447 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.932 3.090 -1.697 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.769 3.105 0.011 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.033 2.072 -1.032 1.00 0.00 C ATOM 0 H ILE A 573 -6.799 1.807 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.265 0.709 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 573 -7.993 3.539 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.746 3.081 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.670 4.085 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.495 4.126 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.840 2.967 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.222 2.407 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.992 2.307 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.191 2.097 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.268 1.077 -1.410 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.078 1.622 -2.648 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.530 1.496 -2.588 1.00 0.00 C ATOM 1595 C GLN A 574 -11.951 0.031 -2.636 1.00 0.00 C ATOM 1596 O GLN A 574 -12.948 -0.358 -2.027 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.178 2.263 -3.742 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.757 3.722 -3.815 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.648 4.629 -2.989 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -13.534 5.298 -3.520 1.00 0.00 O ATOM 1601 NE2 GLN A 574 -12.417 4.655 -1.682 1.00 0.00 N ATOM 0 H GLN A 574 -9.726 2.040 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.868 1.922 -1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -11.923 1.773 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.262 2.211 -3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.728 3.817 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -11.775 4.050 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -11.671 4.084 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -12.985 5.246 -1.075 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.186 -0.777 -3.364 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.482 -2.199 -3.491 1.00 0.00 C ATOM 1612 C GLN A 575 -11.185 -2.936 -2.189 1.00 0.00 C ATOM 1613 O GLN A 575 -11.775 -3.978 -1.906 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.670 -2.810 -4.634 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.061 -2.287 -6.006 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.359 -3.020 -7.132 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -9.507 -2.455 -7.820 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -10.712 -4.285 -7.327 1.00 0.00 N ATOM 0 H GLN A 575 -10.357 -0.471 -3.874 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.544 -2.305 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.612 -2.608 -4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.794 -3.893 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.139 -2.382 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.825 -1.225 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -11.422 -4.714 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -10.273 -4.828 -8.070 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.267 -2.387 -1.401 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.893 -2.991 -0.128 1.00 0.00 C ATOM 1629 C ALA A 576 -10.807 -2.515 0.995 1.00 0.00 C ATOM 1630 O ALA A 576 -10.930 -3.173 2.029 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.441 -2.674 0.200 1.00 0.00 C ATOM 0 H ALA A 576 -9.768 -1.525 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.006 -4.071 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.175 -3.131 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.796 -3.070 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.311 -1.594 0.267 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.447 -1.369 0.786 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.349 -0.805 1.783 1.00 0.00 C ATOM 1639 C ARG A 577 -13.785 -1.254 1.533 1.00 0.00 C ATOM 1640 O ARG A 577 -14.518 -1.570 2.469 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.270 0.723 1.766 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.149 1.285 2.624 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.214 2.802 2.701 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.389 3.263 3.436 1.00 0.00 N ATOM 1645 CZ ARG A 577 -12.439 3.355 4.760 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -11.385 3.019 5.491 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -13.544 3.783 5.356 1.00 0.00 N ATOM 0 H ARG A 577 -11.358 -0.813 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.039 -1.167 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.133 1.060 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.220 1.131 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -11.212 0.866 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.187 0.981 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.313 3.179 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.232 3.216 1.693 1.00 0.00 H new ATOM 0 HE ARG A 577 -13.217 3.529 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -10.533 2.689 5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -11.426 3.091 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -14.357 4.042 4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -13.581 3.853 6.373 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.180 -1.279 0.263 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.529 -1.688 -0.109 1.00 0.00 C ATOM 1663 C GLU A 578 -15.919 -2.983 0.598 1.00 0.00 C ATOM 1664 O GLU A 578 -17.078 -3.177 0.963 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.630 -1.872 -1.625 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.066 -3.194 -2.117 1.00 0.00 C ATOM 1667 CD GLU A 578 -15.324 -3.425 -3.593 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -16.218 -2.755 -4.152 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -14.632 -4.277 -4.190 1.00 0.00 O ATOM 0 H GLU A 578 -13.585 -1.021 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.218 -0.903 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -16.676 -1.800 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -15.102 -1.056 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -13.992 -3.218 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.507 -4.009 -1.543 1.00 0.00 H new ATOM 1676 N MET A 579 -14.943 -3.865 0.787 1.00 0.00 N ATOM 1677 CA MET A 579 -15.184 -5.140 1.451 1.00 0.00 C ATOM 1678 C MET A 579 -15.102 -4.989 2.966 1.00 0.00 C ATOM 1679 O MET A 579 -14.326 -4.192 3.493 1.00 0.00 O ATOM 1680 CB MET A 579 -14.173 -6.186 0.976 1.00 0.00 C ATOM 1681 CG MET A 579 -12.726 -5.783 1.210 1.00 0.00 C ATOM 1682 SD MET A 579 -11.589 -7.176 1.088 1.00 0.00 S ATOM 1683 CE MET A 579 -12.114 -8.166 2.486 1.00 0.00 C ATOM 0 H MET A 579 -13.978 -3.720 0.490 1.00 0.00 H new ATOM 0 HA MET A 579 -16.189 -5.472 1.191 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.367 -7.127 1.491 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.323 -6.368 -0.088 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.442 -5.023 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.634 -5.329 2.197 1.00 0.00 H new ATOM 0 HE1 MET A 579 -11.345 -8.903 2.719 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.272 -7.521 3.350 1.00 0.00 H new ATOM 0 HE3 MET A 579 -13.045 -8.678 2.240 1.00 0.00 H new