USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 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 535 HIS :FLIP no HE2:sc= -2.31! C(o=-4.8!,f=-2.4!) USER MOD Set 1.2: A 536 MET CE :methyl -158:sc= -0.0732 (180deg=-0.979) USER MOD Single : A 504 THR OG1 : rot 34:sc= 0.219 USER MOD Single : A 505 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.86) USER MOD Single : A 506 GLN :FLIP amide:sc= -0.248 F(o=-0.99,f=-0.25) USER MOD Single : A 508 THR OG1 : rot 180:sc= 0 USER MOD Single : A 511 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.23) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -23:sc= 0.776 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 537 MET CE :methyl 173:sc= -1.4 (180deg=-1.72) 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= -0.0438 X(o=-0.044,f=-0.38) USER MOD Single : A 554 CYS SG : rot 45:sc= -2.21 USER MOD Single : A 555 CYS SG : rot 21:sc= -2.6! USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 565 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 567 ASN : amide:sc= -1.65 K(o=-1.7,f=-6!) USER MOD Single : A 569 MET CE :methyl 155:sc=-0.000948 (180deg=-0.502) USER MOD Single : A 570 HIS : no HE2:sc= -2.29! K(o=-2.3!,f=-2.9) USER MOD Single : A 574 GLN :FLIP amide:sc= -0.478 F(o=-2.8,f=-0.48) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl -146:sc= -1.25 (180deg=-3.16!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.315 -7.064 8.123 1.00 0.00 N ATOM 446 CA THR A 504 -8.010 -7.624 6.971 1.00 0.00 C ATOM 447 C THR A 504 -8.007 -6.649 5.799 1.00 0.00 C ATOM 448 O THR A 504 -7.407 -6.917 4.759 1.00 0.00 O ATOM 449 CB THR A 504 -9.467 -7.989 7.316 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.506 -8.760 8.522 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.110 -8.775 6.184 1.00 0.00 C ATOM 0 HA THR A 504 -7.473 -8.530 6.688 1.00 0.00 H new ATOM 0 HB THR A 504 -10.027 -7.064 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 504 -8.790 -8.465 9.122 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.138 -9.021 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.105 -8.174 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.549 -9.694 6.015 1.00 0.00 H new ATOM 459 N GLN A 505 -8.680 -5.516 5.976 1.00 0.00 N ATOM 460 CA GLN A 505 -8.753 -4.501 4.933 1.00 0.00 C ATOM 461 C GLN A 505 -7.358 -4.101 4.463 1.00 0.00 C ATOM 462 O GLN A 505 -7.102 -4.004 3.263 1.00 0.00 O ATOM 463 CB GLN A 505 -9.505 -3.269 5.441 1.00 0.00 C ATOM 464 CG GLN A 505 -11.007 -3.337 5.216 1.00 0.00 C ATOM 465 CD GLN A 505 -11.713 -2.052 5.599 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.234 -1.295 6.444 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.860 -1.799 4.978 1.00 0.00 N ATOM 0 H GLN A 505 -9.182 -5.279 6.832 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.294 -4.925 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.311 -3.149 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.111 -2.383 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.204 -3.556 4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.421 -4.161 5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.220 -2.455 4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.381 -0.949 5.195 1.00 0.00 H new ATOM 476 N GLN A 506 -6.461 -3.871 5.416 1.00 0.00 N ATOM 477 CA GLN A 506 -5.093 -3.480 5.099 1.00 0.00 C ATOM 478 C GLN A 506 -4.448 -4.482 4.147 1.00 0.00 C ATOM 479 O GLN A 506 -3.820 -4.100 3.158 1.00 0.00 O ATOM 480 CB GLN A 506 -4.262 -3.367 6.378 1.00 0.00 C ATOM 481 CG GLN A 506 -4.667 -2.201 7.265 1.00 0.00 C ATOM 482 CD GLN A 506 -3.697 -1.973 8.408 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.337 -0.716 8.638 1.00 0.00 O flip ATOM 484 NE2 GLN A 506 -3.277 -2.917 9.078 1.00 0.00 N flip ATOM 0 H GLN A 506 -6.657 -3.949 6.414 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.125 -2.507 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.355 -4.293 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.211 -3.261 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.731 -1.295 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.662 -2.386 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -3.580 -3.868 8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -2.626 -2.748 9.845 1.00 0.00 H new ATOM 493 N LEU A 507 -4.606 -5.766 4.451 1.00 0.00 N ATOM 494 CA LEU A 507 -4.039 -6.824 3.622 1.00 0.00 C ATOM 495 C LEU A 507 -4.553 -6.728 2.189 1.00 0.00 C ATOM 496 O LEU A 507 -3.773 -6.734 1.236 1.00 0.00 O ATOM 497 CB LEU A 507 -4.380 -8.195 4.208 1.00 0.00 C ATOM 498 CG LEU A 507 -3.568 -8.623 5.431 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.151 -9.888 6.043 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.109 -8.834 5.056 1.00 0.00 C ATOM 0 H LEU A 507 -5.122 -6.099 5.265 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.956 -6.700 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.436 -8.200 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.247 -8.945 3.428 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.620 -7.827 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.560 -10.177 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.181 -9.703 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.131 -10.691 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.547 -9.138 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.038 -9.611 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.696 -7.904 4.665 1.00 0.00 H new ATOM 512 N THR A 508 -5.871 -6.638 2.044 1.00 0.00 N ATOM 513 CA THR A 508 -6.490 -6.540 0.728 1.00 0.00 C ATOM 514 C THR A 508 -5.841 -5.440 -0.104 1.00 0.00 C ATOM 515 O THR A 508 -5.361 -5.686 -1.210 1.00 0.00 O ATOM 516 CB THR A 508 -8.001 -6.261 0.837 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.627 -7.263 1.646 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.648 -6.237 -0.540 1.00 0.00 C ATOM 0 H THR A 508 -6.531 -6.631 2.822 1.00 0.00 H new ATOM 0 HA THR A 508 -6.340 -7.501 0.236 1.00 0.00 H new ATOM 0 HB THR A 508 -8.135 -5.284 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.587 -7.078 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.715 -6.038 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.189 -5.454 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.504 -7.202 -1.027 1.00 0.00 H new ATOM 526 N ALA A 509 -5.829 -4.225 0.435 1.00 0.00 N ATOM 527 CA ALA A 509 -5.236 -3.088 -0.257 1.00 0.00 C ATOM 528 C ALA A 509 -3.797 -3.383 -0.666 1.00 0.00 C ATOM 529 O ALA A 509 -3.420 -3.201 -1.823 1.00 0.00 O ATOM 530 CB ALA A 509 -5.293 -1.847 0.622 1.00 0.00 C ATOM 0 H ALA A 509 -6.223 -4.003 1.349 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.813 -2.905 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.847 -1.005 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.332 -1.617 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.742 -2.029 1.545 1.00 0.00 H new ATOM 536 N PHE A 510 -2.997 -3.840 0.292 1.00 0.00 N ATOM 537 CA PHE A 510 -1.598 -4.159 0.032 1.00 0.00 C ATOM 538 C PHE A 510 -1.464 -5.057 -1.195 1.00 0.00 C ATOM 539 O PHE A 510 -0.726 -4.743 -2.128 1.00 0.00 O ATOM 540 CB PHE A 510 -0.974 -4.843 1.250 1.00 0.00 C ATOM 541 CG PHE A 510 0.432 -5.318 1.016 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.505 -4.460 1.192 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.680 -6.622 0.620 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.799 -4.894 0.976 1.00 0.00 C ATOM 545 CE2 PHE A 510 1.972 -7.063 0.404 1.00 0.00 C ATOM 546 CZ PHE A 510 3.033 -6.197 0.583 1.00 0.00 C ATOM 0 H PHE A 510 -3.294 -3.998 1.255 1.00 0.00 H new ATOM 0 HA PHE A 510 -1.068 -3.226 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -0.979 -4.148 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.593 -5.693 1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 510 1.328 -3.440 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 510 -0.146 -7.303 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.627 -4.214 1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.152 -8.082 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.044 -6.538 0.416 1.00 0.00 H new ATOM 556 N GLN A 511 -2.183 -6.175 -1.183 1.00 0.00 N ATOM 557 CA GLN A 511 -2.143 -7.119 -2.293 1.00 0.00 C ATOM 558 C GLN A 511 -2.415 -6.414 -3.618 1.00 0.00 C ATOM 559 O GLN A 511 -1.635 -6.527 -4.565 1.00 0.00 O ATOM 560 CB GLN A 511 -3.166 -8.236 -2.077 1.00 0.00 C ATOM 561 CG GLN A 511 -3.140 -9.303 -3.160 1.00 0.00 C ATOM 562 CD GLN A 511 -1.732 -9.720 -3.535 1.00 0.00 C ATOM 563 OE1 GLN A 511 -0.957 -10.164 -2.687 1.00 0.00 O ATOM 564 NE2 GLN A 511 -1.392 -9.579 -4.811 1.00 0.00 N ATOM 0 H GLN A 511 -2.799 -6.449 -0.418 1.00 0.00 H new ATOM 0 HA GLN A 511 -1.144 -7.553 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -2.980 -8.706 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -4.164 -7.800 -2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -3.694 -10.177 -2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -3.652 -8.928 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.066 -9.207 -5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -0.457 -9.843 -5.122 1.00 0.00 H new ATOM 573 N LEU A 512 -3.525 -5.686 -3.678 1.00 0.00 N ATOM 574 CA LEU A 512 -3.900 -4.962 -4.887 1.00 0.00 C ATOM 575 C LEU A 512 -2.753 -4.082 -5.373 1.00 0.00 C ATOM 576 O LEU A 512 -2.334 -4.170 -6.528 1.00 0.00 O ATOM 577 CB LEU A 512 -5.141 -4.106 -4.628 1.00 0.00 C ATOM 578 CG LEU A 512 -6.429 -4.868 -4.318 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.440 -3.955 -3.642 1.00 0.00 C ATOM 580 CD2 LEU A 512 -7.015 -5.465 -5.590 1.00 0.00 C ATOM 0 H LEU A 512 -4.181 -5.582 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 512 -4.126 -5.693 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.929 -3.437 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.315 -3.480 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.191 -5.682 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.351 -4.515 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.021 -3.575 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.674 -3.119 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.932 -6.004 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -7.238 -4.666 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -6.295 -6.153 -6.034 1.00 0.00 H new ATOM 592 N LEU A 513 -2.246 -3.235 -4.484 1.00 0.00 N ATOM 593 CA LEU A 513 -1.145 -2.340 -4.820 1.00 0.00 C ATOM 594 C LEU A 513 0.039 -3.120 -5.382 1.00 0.00 C ATOM 595 O LEU A 513 0.403 -2.964 -6.548 1.00 0.00 O ATOM 596 CB LEU A 513 -0.710 -1.548 -3.586 1.00 0.00 C ATOM 597 CG LEU A 513 -1.596 -0.363 -3.202 1.00 0.00 C ATOM 598 CD1 LEU A 513 -1.227 0.154 -1.820 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.481 0.747 -4.237 1.00 0.00 C ATOM 0 H LEU A 513 -2.580 -3.149 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.494 -1.646 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.664 -2.231 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.302 -1.180 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.632 -0.702 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.868 0.997 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -1.362 -0.641 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -0.186 0.476 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.119 1.582 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.446 1.084 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.796 0.371 -5.210 1.00 0.00 H new ATOM 611 N PHE A 514 0.636 -3.963 -4.545 1.00 0.00 N ATOM 612 CA PHE A 514 1.779 -4.769 -4.957 1.00 0.00 C ATOM 613 C PHE A 514 1.654 -5.180 -6.422 1.00 0.00 C ATOM 614 O PHE A 514 2.558 -4.944 -7.223 1.00 0.00 O ATOM 615 CB PHE A 514 1.897 -6.014 -4.075 1.00 0.00 C ATOM 616 CG PHE A 514 3.202 -6.739 -4.234 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.403 -6.099 -3.971 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.229 -8.062 -4.646 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.605 -6.765 -4.117 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.429 -8.733 -4.793 1.00 0.00 C ATOM 621 CZ PHE A 514 5.618 -8.083 -4.528 1.00 0.00 C ATOM 0 H PHE A 514 0.347 -4.105 -3.577 1.00 0.00 H new ATOM 0 HA PHE A 514 2.679 -4.164 -4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.777 -5.723 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.080 -6.696 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.399 -5.068 -3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.302 -8.575 -4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.534 -6.255 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.436 -9.764 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.557 -8.605 -4.642 1.00 0.00 H new ATOM 631 N ALA A 515 0.528 -5.797 -6.763 1.00 0.00 N ATOM 632 CA ALA A 515 0.283 -6.240 -8.130 1.00 0.00 C ATOM 633 C ALA A 515 0.323 -5.066 -9.103 1.00 0.00 C ATOM 634 O ALA A 515 1.169 -5.017 -9.996 1.00 0.00 O ATOM 635 CB ALA A 515 -1.055 -6.957 -8.221 1.00 0.00 C ATOM 0 H ALA A 515 -0.229 -6.002 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 515 1.075 -6.936 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.225 -7.282 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.048 -7.825 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.853 -6.278 -7.919 1.00 0.00 H new ATOM 641 N TRP A 516 -0.595 -4.123 -8.923 1.00 0.00 N ATOM 642 CA TRP A 516 -0.664 -2.950 -9.787 1.00 0.00 C ATOM 643 C TRP A 516 0.726 -2.377 -10.040 1.00 0.00 C ATOM 644 O TRP A 516 1.058 -2.004 -11.165 1.00 0.00 O ATOM 645 CB TRP A 516 -1.562 -1.882 -9.159 1.00 0.00 C ATOM 646 CG TRP A 516 -1.261 -0.495 -9.641 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.843 0.151 -10.694 1.00 0.00 C ATOM 648 CD2 TRP A 516 -0.304 0.415 -9.088 1.00 0.00 C ATOM 649 NE1 TRP A 516 -1.305 1.408 -10.829 1.00 0.00 N ATOM 650 CE2 TRP A 516 -0.360 1.595 -9.856 1.00 0.00 C ATOM 651 CE3 TRP A 516 0.593 0.349 -8.019 1.00 0.00 C ATOM 652 CZ2 TRP A 516 0.448 2.696 -9.587 1.00 0.00 C ATOM 653 CZ3 TRP A 516 1.394 1.443 -7.753 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.317 2.604 -8.534 1.00 0.00 C ATOM 0 H TRP A 516 -1.301 -4.148 -8.187 1.00 0.00 H new ATOM 0 HA TRP A 516 -1.089 -3.258 -10.742 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.603 -2.118 -9.379 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -1.450 -1.915 -8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.613 -0.265 -11.327 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -1.567 2.091 -11.539 1.00 0.00 H new ATOM 0 HE3 TRP A 516 0.659 -0.541 -7.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.391 3.591 -10.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.091 1.403 -6.929 1.00 0.00 H new ATOM 0 HH2 TRP A 516 1.956 3.443 -8.300 1.00 0.00 H new ATOM 665 N ARG A 517 1.535 -2.312 -8.987 1.00 0.00 N ATOM 666 CA ARG A 517 2.890 -1.784 -9.096 1.00 0.00 C ATOM 667 C ARG A 517 3.692 -2.556 -10.140 1.00 0.00 C ATOM 668 O ARG A 517 4.096 -2.001 -11.162 1.00 0.00 O ATOM 669 CB ARG A 517 3.597 -1.851 -7.742 1.00 0.00 C ATOM 670 CG ARG A 517 4.786 -0.912 -7.628 1.00 0.00 C ATOM 671 CD ARG A 517 5.859 -1.479 -6.712 1.00 0.00 C ATOM 672 NE ARG A 517 7.168 -0.886 -6.970 1.00 0.00 N ATOM 673 CZ ARG A 517 7.830 -1.034 -8.112 1.00 0.00 C ATOM 674 NH1 ARG A 517 7.307 -1.752 -9.097 1.00 0.00 N ATOM 675 NH2 ARG A 517 9.018 -0.464 -8.271 1.00 0.00 N ATOM 0 H ARG A 517 1.276 -2.618 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 517 2.823 -0.743 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 517 2.881 -1.613 -6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 517 3.934 -2.873 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 517 5.207 -0.735 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 517 4.453 0.053 -7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 517 5.579 -1.302 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.917 -2.559 -6.847 1.00 0.00 H new ATOM 0 HE ARG A 517 7.598 -0.327 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 517 6.394 -2.192 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 517 7.817 -1.864 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 517 9.424 0.089 -7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 517 9.525 -0.579 -9.148 1.00 0.00 H new ATOM 689 N ASP A 518 3.918 -3.838 -9.875 1.00 0.00 N ATOM 690 CA ASP A 518 4.671 -4.686 -10.791 1.00 0.00 C ATOM 691 C ASP A 518 4.288 -4.397 -12.239 1.00 0.00 C ATOM 692 O ASP A 518 5.151 -4.188 -13.092 1.00 0.00 O ATOM 693 CB ASP A 518 4.427 -6.162 -10.471 1.00 0.00 C ATOM 694 CG ASP A 518 5.291 -7.086 -11.306 1.00 0.00 C ATOM 695 OD1 ASP A 518 6.498 -6.799 -11.452 1.00 0.00 O ATOM 696 OD2 ASP A 518 4.761 -8.097 -11.812 1.00 0.00 O ATOM 0 H ASP A 518 3.591 -4.312 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 518 5.731 -4.465 -10.663 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.626 -6.339 -9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.377 -6.399 -10.641 1.00 0.00 H new ATOM 701 N LYS A 519 2.987 -4.388 -12.511 1.00 0.00 N ATOM 702 CA LYS A 519 2.488 -4.124 -13.855 1.00 0.00 C ATOM 703 C LYS A 519 3.106 -2.852 -14.426 1.00 0.00 C ATOM 704 O LYS A 519 3.651 -2.854 -15.530 1.00 0.00 O ATOM 705 CB LYS A 519 0.963 -4.000 -13.840 1.00 0.00 C ATOM 706 CG LYS A 519 0.374 -3.571 -15.172 1.00 0.00 C ATOM 707 CD LYS A 519 0.285 -2.058 -15.281 1.00 0.00 C ATOM 708 CE LYS A 519 -0.499 -1.461 -14.122 1.00 0.00 C ATOM 709 NZ LYS A 519 -1.172 -0.189 -14.504 1.00 0.00 N ATOM 0 H LYS A 519 2.259 -4.561 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 519 2.772 -4.962 -14.491 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.532 -4.959 -13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.673 -3.279 -13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.988 -3.960 -15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -0.620 -4.004 -15.288 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.289 -1.634 -15.299 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.193 -1.787 -16.223 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -1.245 -2.178 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 519 0.174 -1.278 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -1.695 0.186 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -0.458 0.505 -14.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -1.833 -0.368 -15.287 1.00 0.00 H new ATOM 723 N THR A 520 3.020 -1.765 -13.665 1.00 0.00 N ATOM 724 CA THR A 520 3.571 -0.486 -14.095 1.00 0.00 C ATOM 725 C THR A 520 5.076 -0.582 -14.318 1.00 0.00 C ATOM 726 O THR A 520 5.619 0.043 -15.228 1.00 0.00 O ATOM 727 CB THR A 520 3.286 0.623 -13.064 1.00 0.00 C ATOM 728 OG1 THR A 520 1.895 0.632 -12.725 1.00 0.00 O ATOM 729 CG2 THR A 520 3.689 1.985 -13.609 1.00 0.00 C ATOM 0 H THR A 520 2.574 -1.745 -12.748 1.00 0.00 H new ATOM 0 HA THR A 520 3.083 -0.232 -15.036 1.00 0.00 H new ATOM 0 HB THR A 520 3.876 0.418 -12.171 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.723 1.339 -12.068 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.478 2.752 -12.864 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.755 1.984 -13.838 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.123 2.196 -14.516 1.00 0.00 H new ATOM 737 N ALA A 521 5.744 -1.370 -13.482 1.00 0.00 N ATOM 738 CA ALA A 521 7.186 -1.551 -13.590 1.00 0.00 C ATOM 739 C ALA A 521 7.550 -2.322 -14.854 1.00 0.00 C ATOM 740 O ALA A 521 8.681 -2.249 -15.333 1.00 0.00 O ATOM 741 CB ALA A 521 7.722 -2.268 -12.360 1.00 0.00 C ATOM 0 H ALA A 521 5.309 -1.893 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 521 7.647 -0.565 -13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.800 -2.396 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.504 -1.677 -11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.247 -3.245 -12.272 1.00 0.00 H new ATOM 747 N ARG A 522 6.583 -3.061 -15.390 1.00 0.00 N ATOM 748 CA ARG A 522 6.803 -3.847 -16.598 1.00 0.00 C ATOM 749 C ARG A 522 6.803 -2.954 -17.835 1.00 0.00 C ATOM 750 O ARG A 522 7.487 -3.238 -18.818 1.00 0.00 O ATOM 751 CB ARG A 522 5.725 -4.924 -16.733 1.00 0.00 C ATOM 752 CG ARG A 522 5.745 -5.639 -18.074 1.00 0.00 C ATOM 753 CD ARG A 522 4.371 -6.182 -18.436 1.00 0.00 C ATOM 754 NE ARG A 522 4.439 -7.175 -19.505 1.00 0.00 N ATOM 755 CZ ARG A 522 3.373 -7.634 -20.151 1.00 0.00 C ATOM 756 NH1 ARG A 522 2.163 -7.191 -19.838 1.00 0.00 N ATOM 757 NH2 ARG A 522 3.516 -8.538 -21.112 1.00 0.00 N ATOM 0 H ARG A 522 5.640 -3.131 -15.007 1.00 0.00 H new ATOM 0 HA ARG A 522 7.779 -4.326 -16.518 1.00 0.00 H new ATOM 0 HB2 ARG A 522 5.854 -5.658 -15.937 1.00 0.00 H new ATOM 0 HB3 ARG A 522 4.746 -4.467 -16.589 1.00 0.00 H new ATOM 0 HG2 ARG A 522 6.081 -4.951 -18.850 1.00 0.00 H new ATOM 0 HG3 ARG A 522 6.464 -6.458 -18.040 1.00 0.00 H new ATOM 0 HD2 ARG A 522 3.914 -6.630 -17.554 1.00 0.00 H new ATOM 0 HD3 ARG A 522 3.726 -5.360 -18.746 1.00 0.00 H new ATOM 0 HE ARG A 522 5.355 -7.536 -19.770 1.00 0.00 H new ATOM 0 HH11 ARG A 522 2.049 -6.496 -19.100 1.00 0.00 H new ATOM 0 HH12 ARG A 522 1.346 -7.545 -20.335 1.00 0.00 H new ATOM 0 HH21 ARG A 522 4.445 -8.881 -21.355 1.00 0.00 H new ATOM 0 HH22 ARG A 522 2.697 -8.890 -21.607 1.00 0.00 H new ATOM 771 N ARG A 523 6.031 -1.873 -17.779 1.00 0.00 N ATOM 772 CA ARG A 523 5.941 -0.940 -18.895 1.00 0.00 C ATOM 773 C ARG A 523 6.974 0.174 -18.757 1.00 0.00 C ATOM 774 O ARG A 523 7.561 0.615 -19.744 1.00 0.00 O ATOM 775 CB ARG A 523 4.536 -0.340 -18.973 1.00 0.00 C ATOM 776 CG ARG A 523 4.318 0.829 -18.026 1.00 0.00 C ATOM 777 CD ARG A 523 2.947 1.456 -18.220 1.00 0.00 C ATOM 778 NE ARG A 523 2.964 2.506 -19.236 1.00 0.00 N ATOM 779 CZ ARG A 523 2.052 3.469 -19.313 1.00 0.00 C ATOM 780 NH1 ARG A 523 1.057 3.515 -18.439 1.00 0.00 N ATOM 781 NH2 ARG A 523 2.136 4.388 -20.266 1.00 0.00 N ATOM 0 H ARG A 523 5.459 -1.622 -16.972 1.00 0.00 H new ATOM 0 HA ARG A 523 6.146 -1.490 -19.813 1.00 0.00 H new ATOM 0 HB2 ARG A 523 4.348 -0.009 -19.994 1.00 0.00 H new ATOM 0 HB3 ARG A 523 3.805 -1.118 -18.750 1.00 0.00 H new ATOM 0 HG2 ARG A 523 4.421 0.488 -16.996 1.00 0.00 H new ATOM 0 HG3 ARG A 523 5.090 1.581 -18.191 1.00 0.00 H new ATOM 0 HD2 ARG A 523 2.233 0.684 -18.508 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.602 1.873 -17.274 1.00 0.00 H new ATOM 0 HE ARG A 523 3.717 2.499 -19.924 1.00 0.00 H new ATOM 0 HH11 ARG A 523 0.990 2.810 -17.705 1.00 0.00 H new ATOM 0 HH12 ARG A 523 0.358 4.255 -18.500 1.00 0.00 H new ATOM 0 HH21 ARG A 523 2.901 4.355 -20.940 1.00 0.00 H new ATOM 0 HH22 ARG A 523 1.436 5.127 -20.325 1.00 0.00 H new ATOM 795 N GLU A 524 7.190 0.625 -17.525 1.00 0.00 N ATOM 796 CA GLU A 524 8.152 1.688 -17.259 1.00 0.00 C ATOM 797 C GLU A 524 9.581 1.190 -17.449 1.00 0.00 C ATOM 798 O GLU A 524 10.452 1.928 -17.909 1.00 0.00 O ATOM 799 CB GLU A 524 7.972 2.225 -15.837 1.00 0.00 C ATOM 800 CG GLU A 524 6.980 3.372 -15.740 1.00 0.00 C ATOM 801 CD GLU A 524 5.788 3.192 -16.660 1.00 0.00 C ATOM 802 OE1 GLU A 524 5.885 3.585 -17.842 1.00 0.00 O ATOM 803 OE2 GLU A 524 4.758 2.657 -16.199 1.00 0.00 O ATOM 0 H GLU A 524 6.712 0.271 -16.696 1.00 0.00 H new ATOM 0 HA GLU A 524 7.970 2.494 -17.970 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.640 1.413 -15.190 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.938 2.559 -15.459 1.00 0.00 H new ATOM 0 HG2 GLU A 524 6.630 3.459 -14.711 1.00 0.00 H new ATOM 0 HG3 GLU A 524 7.485 4.306 -15.985 1.00 0.00 H new ATOM 810 N ASP A 525 9.815 -0.068 -17.090 1.00 0.00 N ATOM 811 CA ASP A 525 11.138 -0.667 -17.221 1.00 0.00 C ATOM 812 C ASP A 525 12.098 -0.096 -16.181 1.00 0.00 C ATOM 813 O ASP A 525 13.193 0.356 -16.516 1.00 0.00 O ATOM 814 CB ASP A 525 11.691 -0.431 -18.627 1.00 0.00 C ATOM 815 CG ASP A 525 12.874 -1.326 -18.942 1.00 0.00 C ATOM 816 OD1 ASP A 525 12.653 -2.446 -19.449 1.00 0.00 O ATOM 817 OD2 ASP A 525 14.021 -0.906 -18.681 1.00 0.00 O ATOM 0 H ASP A 525 9.106 -0.692 -16.706 1.00 0.00 H new ATOM 0 HA ASP A 525 11.043 -1.740 -17.052 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.902 -0.606 -19.359 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.992 0.612 -18.726 1.00 0.00 H new ATOM 822 N GLU A 526 11.679 -0.121 -14.920 1.00 0.00 N ATOM 823 CA GLU A 526 12.502 0.396 -13.833 1.00 0.00 C ATOM 824 C GLU A 526 12.609 -0.622 -12.701 1.00 0.00 C ATOM 825 O GLU A 526 11.960 -1.667 -12.728 1.00 0.00 O ATOM 826 CB GLU A 526 11.919 1.707 -13.301 1.00 0.00 C ATOM 827 CG GLU A 526 11.976 2.849 -14.302 1.00 0.00 C ATOM 828 CD GLU A 526 11.914 4.211 -13.638 1.00 0.00 C ATOM 829 OE1 GLU A 526 12.708 4.452 -12.705 1.00 0.00 O ATOM 830 OE2 GLU A 526 11.071 5.034 -14.050 1.00 0.00 O ATOM 0 H GLU A 526 10.776 -0.493 -14.626 1.00 0.00 H new ATOM 0 HA GLU A 526 13.501 0.584 -14.226 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.882 1.542 -13.010 1.00 0.00 H new ATOM 0 HB3 GLU A 526 12.461 1.997 -12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 526 12.896 2.773 -14.882 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.148 2.753 -15.004 1.00 0.00 H new ATOM 837 N SER A 527 13.435 -0.308 -11.707 1.00 0.00 N ATOM 838 CA SER A 527 13.631 -1.196 -10.567 1.00 0.00 C ATOM 839 C SER A 527 12.344 -1.338 -9.761 1.00 0.00 C ATOM 840 O SER A 527 11.386 -0.592 -9.963 1.00 0.00 O ATOM 841 CB SER A 527 14.753 -0.669 -9.670 1.00 0.00 C ATOM 842 OG SER A 527 14.385 0.558 -9.062 1.00 0.00 O ATOM 0 H SER A 527 13.979 0.554 -11.669 1.00 0.00 H new ATOM 0 HA SER A 527 13.911 -2.178 -10.947 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.984 -1.405 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 527 15.659 -0.529 -10.259 1.00 0.00 H new ATOM 0 HG SER A 527 15.117 0.874 -8.493 1.00 0.00 H new ATOM 848 N TYR A 528 12.330 -2.301 -8.846 1.00 0.00 N ATOM 849 CA TYR A 528 11.160 -2.544 -8.010 1.00 0.00 C ATOM 850 C TYR A 528 11.150 -1.611 -6.803 1.00 0.00 C ATOM 851 O TYR A 528 10.103 -1.355 -6.210 1.00 0.00 O ATOM 852 CB TYR A 528 11.135 -4.000 -7.543 1.00 0.00 C ATOM 853 CG TYR A 528 10.631 -4.964 -8.593 1.00 0.00 C ATOM 854 CD1 TYR A 528 9.476 -4.693 -9.316 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.309 -6.147 -8.861 1.00 0.00 C ATOM 856 CE1 TYR A 528 9.011 -5.571 -10.276 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.852 -7.030 -9.820 1.00 0.00 C ATOM 858 CZ TYR A 528 9.703 -6.738 -10.524 1.00 0.00 C ATOM 859 OH TYR A 528 9.244 -7.616 -11.480 1.00 0.00 O ATOM 0 H TYR A 528 13.115 -2.926 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 528 10.270 -2.345 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 528 12.141 -4.294 -7.245 1.00 0.00 H new ATOM 0 HB3 TYR A 528 10.504 -4.078 -6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.932 -3.780 -9.124 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.208 -6.380 -8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 528 8.111 -5.345 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.392 -7.944 -10.017 1.00 0.00 H new ATOM 0 HH TYR A 528 8.282 -7.482 -11.613 1.00 0.00 H new ATOM 869 N GLY A 529 12.326 -1.103 -6.445 1.00 0.00 N ATOM 870 CA GLY A 529 12.432 -0.203 -5.312 1.00 0.00 C ATOM 871 C GLY A 529 12.436 1.254 -5.727 1.00 0.00 C ATOM 872 O GLY A 529 13.092 2.085 -5.098 1.00 0.00 O ATOM 0 H GLY A 529 13.207 -1.299 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.600 -0.381 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 529 13.347 -0.423 -4.761 1.00 0.00 H new ATOM 876 N TYR A 530 11.704 1.567 -6.791 1.00 0.00 N ATOM 877 CA TYR A 530 11.629 2.934 -7.292 1.00 0.00 C ATOM 878 C TYR A 530 10.180 3.405 -7.375 1.00 0.00 C ATOM 879 O TYR A 530 9.763 4.299 -6.638 1.00 0.00 O ATOM 880 CB TYR A 530 12.288 3.031 -8.669 1.00 0.00 C ATOM 881 CG TYR A 530 11.743 4.153 -9.524 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.141 5.468 -9.314 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.829 3.899 -10.539 1.00 0.00 C ATOM 884 CE1 TYR A 530 11.645 6.496 -10.092 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.329 4.921 -11.322 1.00 0.00 C ATOM 886 CZ TYR A 530 10.740 6.218 -11.095 1.00 0.00 C ATOM 887 OH TYR A 530 10.243 7.239 -11.872 1.00 0.00 O ATOM 0 H TYR A 530 11.154 0.892 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 530 12.163 3.580 -6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.361 3.172 -8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.152 2.086 -9.195 1.00 0.00 H new ATOM 0 HD1 TYR A 530 12.850 5.690 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.504 2.885 -10.719 1.00 0.00 H new ATOM 0 HE1 TYR A 530 11.964 7.513 -9.916 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.620 4.706 -12.108 1.00 0.00 H new ATOM 0 HH TYR A 530 9.618 6.873 -12.533 1.00 0.00 H new ATOM 897 N VAL A 531 9.417 2.796 -8.277 1.00 0.00 N ATOM 898 CA VAL A 531 8.014 3.151 -8.456 1.00 0.00 C ATOM 899 C VAL A 531 7.293 3.235 -7.116 1.00 0.00 C ATOM 900 O VAL A 531 6.631 4.229 -6.816 1.00 0.00 O ATOM 901 CB VAL A 531 7.288 2.132 -9.354 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.852 2.567 -9.602 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.034 1.954 -10.668 1.00 0.00 C ATOM 0 H VAL A 531 9.747 2.055 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 531 7.994 4.129 -8.938 1.00 0.00 H new ATOM 0 HB VAL A 531 7.268 1.171 -8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.355 1.835 -10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.324 2.639 -8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.846 3.539 -10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.507 1.231 -11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 531 8.087 2.910 -11.189 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.043 1.594 -10.468 1.00 0.00 H new ATOM 913 N LEU A 532 7.426 2.186 -6.312 1.00 0.00 N ATOM 914 CA LEU A 532 6.788 2.140 -5.001 1.00 0.00 C ATOM 915 C LEU A 532 7.516 1.173 -4.074 1.00 0.00 C ATOM 916 O LEU A 532 7.402 -0.047 -4.195 1.00 0.00 O ATOM 917 CB LEU A 532 5.322 1.725 -5.140 1.00 0.00 C ATOM 918 CG LEU A 532 4.441 1.953 -3.912 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.192 3.438 -3.701 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.123 1.204 -4.054 1.00 0.00 C ATOM 0 H LEU A 532 7.970 1.355 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 532 6.837 3.138 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 532 4.889 2.270 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.288 0.666 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 532 4.964 1.566 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.563 3.580 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.143 3.949 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.691 3.851 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.509 1.378 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.595 1.560 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.320 0.137 -4.154 1.00 0.00 H new ATOM 932 N PRO A 533 8.282 1.728 -3.122 1.00 0.00 N ATOM 933 CA PRO A 533 9.042 0.933 -2.153 1.00 0.00 C ATOM 934 C PRO A 533 8.138 0.223 -1.150 1.00 0.00 C ATOM 935 O PRO A 533 6.915 0.244 -1.280 1.00 0.00 O ATOM 936 CB PRO A 533 9.913 1.973 -1.446 1.00 0.00 C ATOM 937 CG PRO A 533 9.167 3.255 -1.592 1.00 0.00 C ATOM 938 CD PRO A 533 8.464 3.175 -2.919 1.00 0.00 C ATOM 0 HA PRO A 533 9.611 0.138 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.061 1.718 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.902 2.036 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.453 3.386 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.846 4.107 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.510 3.701 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.059 3.621 -3.716 1.00 0.00 H new ATOM 946 N ASN A 534 8.750 -0.403 -0.150 1.00 0.00 N ATOM 947 CA ASN A 534 8.000 -1.119 0.875 1.00 0.00 C ATOM 948 C ASN A 534 7.359 -0.146 1.860 1.00 0.00 C ATOM 949 O ASN A 534 6.166 -0.237 2.152 1.00 0.00 O ATOM 950 CB ASN A 534 8.917 -2.089 1.624 1.00 0.00 C ATOM 951 CG ASN A 534 9.610 -3.065 0.692 1.00 0.00 C ATOM 952 OD1 ASN A 534 10.767 -2.871 0.321 1.00 0.00 O ATOM 953 ND2 ASN A 534 8.901 -4.121 0.310 1.00 0.00 N ATOM 0 H ASN A 534 9.762 -0.429 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 534 7.209 -1.684 0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.667 -1.523 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 534 8.333 -2.644 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 534 9.313 -4.812 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 534 7.944 -4.241 0.643 1.00 0.00 H new ATOM 960 N HIS A 535 8.159 0.786 2.368 1.00 0.00 N ATOM 961 CA HIS A 535 7.669 1.778 3.319 1.00 0.00 C ATOM 962 C HIS A 535 6.462 2.522 2.755 1.00 0.00 C ATOM 963 O HIS A 535 5.442 2.669 3.428 1.00 0.00 O ATOM 964 CB HIS A 535 8.778 2.771 3.668 1.00 0.00 C ATOM 965 CG HIS A 535 8.947 3.861 2.654 1.00 0.00 C ATOM 966 ND1 HIS A 535 8.300 5.041 2.506 1.00 0.00 N flip ATOM 967 CD2 HIS A 535 9.873 3.802 1.634 1.00 0.00 C flip ATOM 968 CE1 HIS A 535 8.842 5.668 1.412 1.00 0.00 C flip ATOM 969 NE2 HIS A 535 9.790 4.900 0.904 1.00 0.00 N flip ATOM 0 H HIS A 535 9.149 0.875 2.137 1.00 0.00 H new ATOM 0 HA HIS A 535 7.360 1.256 4.225 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.562 3.219 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.719 2.231 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 535 7.549 5.398 3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 535 10.559 2.986 1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 535 8.542 6.632 1.029 1.00 0.00 H new ATOM 977 N MET A 536 6.587 2.990 1.518 1.00 0.00 N ATOM 978 CA MET A 536 5.505 3.718 0.864 1.00 0.00 C ATOM 979 C MET A 536 4.285 2.823 0.673 1.00 0.00 C ATOM 980 O MET A 536 3.185 3.156 1.114 1.00 0.00 O ATOM 981 CB MET A 536 5.971 4.260 -0.488 1.00 0.00 C ATOM 982 CG MET A 536 5.073 5.351 -1.048 1.00 0.00 C ATOM 983 SD MET A 536 5.851 6.271 -2.390 1.00 0.00 S ATOM 984 CE MET A 536 7.108 7.180 -1.494 1.00 0.00 C ATOM 0 H MET A 536 7.426 2.879 0.948 1.00 0.00 H new ATOM 0 HA MET A 536 5.224 4.554 1.505 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.983 4.652 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.019 3.438 -1.202 1.00 0.00 H new ATOM 0 HG2 MET A 536 4.147 4.904 -1.409 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.804 6.041 -0.248 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.405 8.056 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 536 6.710 7.498 -0.531 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.976 6.540 -1.334 1.00 0.00 H new ATOM 994 N MET A 537 4.487 1.687 0.015 1.00 0.00 N ATOM 995 CA MET A 537 3.402 0.744 -0.233 1.00 0.00 C ATOM 996 C MET A 537 2.617 0.471 1.046 1.00 0.00 C ATOM 997 O MET A 537 1.409 0.706 1.107 1.00 0.00 O ATOM 998 CB MET A 537 3.955 -0.566 -0.796 1.00 0.00 C ATOM 999 CG MET A 537 2.908 -1.415 -1.500 1.00 0.00 C ATOM 1000 SD MET A 537 3.345 -3.164 -1.539 1.00 0.00 S ATOM 1001 CE MET A 537 4.924 -3.100 -2.382 1.00 0.00 C ATOM 0 H MET A 537 5.392 1.397 -0.356 1.00 0.00 H new ATOM 0 HA MET A 537 2.727 1.189 -0.965 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.759 -0.340 -1.497 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.394 -1.145 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 537 1.949 -1.295 -0.996 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.779 -1.054 -2.520 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.382 -4.089 -2.373 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.773 -2.779 -3.413 1.00 0.00 H new ATOM 0 HE3 MET A 537 5.579 -2.393 -1.874 1.00 0.00 H new ATOM 1011 N LEU A 538 3.309 -0.027 2.065 1.00 0.00 N ATOM 1012 CA LEU A 538 2.676 -0.333 3.343 1.00 0.00 C ATOM 1013 C LEU A 538 1.913 0.876 3.876 1.00 0.00 C ATOM 1014 O LEU A 538 0.712 0.801 4.134 1.00 0.00 O ATOM 1015 CB LEU A 538 3.727 -0.776 4.362 1.00 0.00 C ATOM 1016 CG LEU A 538 4.216 -2.220 4.237 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.472 -2.432 5.067 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.124 -3.191 4.662 1.00 0.00 C ATOM 0 H LEU A 538 4.309 -0.227 2.031 1.00 0.00 H new ATOM 0 HA LEU A 538 1.967 -1.146 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.588 -0.113 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.316 -0.638 5.362 1.00 0.00 H new ATOM 0 HG LEU A 538 4.459 -2.412 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.805 -3.465 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.257 -1.762 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.256 -2.222 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.489 -4.214 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.850 -2.999 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.250 -3.057 4.025 1.00 0.00 H new ATOM 1030 N LYS A 539 2.618 1.990 4.036 1.00 0.00 N ATOM 1031 CA LYS A 539 2.008 3.217 4.535 1.00 0.00 C ATOM 1032 C LYS A 539 0.612 3.407 3.951 1.00 0.00 C ATOM 1033 O LYS A 539 -0.376 3.454 4.684 1.00 0.00 O ATOM 1034 CB LYS A 539 2.884 4.424 4.190 1.00 0.00 C ATOM 1035 CG LYS A 539 2.718 5.590 5.149 1.00 0.00 C ATOM 1036 CD LYS A 539 3.937 6.498 5.139 1.00 0.00 C ATOM 1037 CE LYS A 539 3.624 7.856 5.748 1.00 0.00 C ATOM 1038 NZ LYS A 539 4.862 8.628 6.047 1.00 0.00 N ATOM 0 H LYS A 539 3.613 2.069 3.827 1.00 0.00 H new ATOM 0 HA LYS A 539 1.922 3.135 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.929 4.114 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.646 4.758 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.833 6.164 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 539 2.553 5.212 6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 539 4.748 6.027 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 539 4.286 6.629 4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 539 2.997 8.426 5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 539 3.051 7.719 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 4.606 9.547 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 5.449 8.096 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 5.397 8.781 5.168 1.00 0.00 H new ATOM 1052 N ILE A 540 0.538 3.513 2.628 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.738 3.694 1.947 1.00 0.00 C ATOM 1054 C ILE A 540 -1.682 2.530 2.229 1.00 0.00 C ATOM 1055 O ILE A 540 -2.791 2.723 2.727 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.549 3.831 0.425 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.331 5.040 0.105 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.898 3.953 -0.267 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.030 4.942 -1.233 1.00 0.00 C ATOM 0 H ILE A 540 1.346 3.477 2.007 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.175 4.614 2.335 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.052 2.935 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.283 5.940 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.080 5.152 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.748 4.049 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.494 3.064 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.420 4.834 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.636 5.834 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.671 4.061 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.287 4.861 -2.027 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.233 1.321 1.908 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.036 0.125 2.130 1.00 0.00 C ATOM 1073 C ALA A 541 -2.683 0.146 3.511 1.00 0.00 C ATOM 1074 O ALA A 541 -3.810 -0.315 3.684 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.180 -1.123 1.965 1.00 0.00 C ATOM 0 H ALA A 541 -0.318 1.144 1.494 1.00 0.00 H new ATOM 0 HA ALA A 541 -2.832 0.108 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -1.792 -2.009 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -0.770 -1.152 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.364 -1.103 2.688 1.00 0.00 H new ATOM 1081 N GLU A 542 -1.961 0.683 4.489 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.466 0.762 5.855 1.00 0.00 C ATOM 1083 C GLU A 542 -3.385 1.968 6.026 1.00 0.00 C ATOM 1084 O GLU A 542 -4.410 1.888 6.702 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.304 0.847 6.847 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.330 -0.314 6.745 1.00 0.00 C ATOM 1087 CD GLU A 542 0.980 -0.041 7.459 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.999 0.837 8.347 1.00 0.00 O ATOM 1089 OE2 GLU A 542 1.984 -0.706 7.131 1.00 0.00 O ATOM 0 H GLU A 542 -1.026 1.069 4.361 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.041 -0.142 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.764 1.779 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.704 0.886 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -0.790 -1.208 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.130 -0.524 5.694 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.009 3.084 5.410 1.00 0.00 N ATOM 1097 CA GLU A 543 -3.798 4.307 5.495 1.00 0.00 C ATOM 1098 C GLU A 543 -5.235 4.060 5.045 1.00 0.00 C ATOM 1099 O GLU A 543 -6.187 4.438 5.730 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.167 5.409 4.642 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.059 6.168 5.350 1.00 0.00 C ATOM 1102 CD GLU A 543 -1.938 7.603 4.875 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -2.467 7.915 3.788 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -1.314 8.414 5.590 1.00 0.00 O ATOM 0 H GLU A 543 -2.163 3.166 4.847 1.00 0.00 H new ATOM 0 HA GLU A 543 -3.812 4.628 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.767 4.966 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -3.943 6.113 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.247 6.159 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.111 5.655 5.188 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.385 3.422 3.889 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.705 3.123 3.346 1.00 0.00 C ATOM 1113 C LEU A 544 -7.475 4.406 3.050 1.00 0.00 C ATOM 1114 O LEU A 544 -8.633 4.568 3.436 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.497 2.254 4.324 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.922 0.866 4.606 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.908 0.033 5.410 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.564 0.163 3.304 1.00 0.00 C ATOM 0 H LEU A 544 -4.609 3.102 3.310 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.571 2.577 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.580 2.790 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.508 2.134 3.935 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.012 0.983 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.481 -0.952 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.115 0.529 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.835 -0.076 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.156 -0.824 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.458 0.058 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.821 0.751 2.765 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.820 5.341 2.345 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.425 6.625 1.979 1.00 0.00 C ATOM 1132 C PRO A 545 -8.526 6.471 0.935 1.00 0.00 C ATOM 1133 O PRO A 545 -8.251 6.302 -0.253 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.249 7.419 1.402 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.296 6.384 0.915 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.438 5.216 1.851 1.00 0.00 C ATOM 0 HA PRO A 545 -7.906 7.106 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.572 8.072 0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.790 8.054 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.526 6.093 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.274 6.763 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.279 4.268 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.714 5.263 2.665 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.774 6.530 1.386 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.918 6.399 0.492 1.00 0.00 C ATOM 1146 C LYS A 546 -10.783 7.334 -0.706 1.00 0.00 C ATOM 1147 O LYS A 546 -11.309 7.056 -1.783 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.217 6.701 1.244 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.441 8.181 1.500 1.00 0.00 C ATOM 1150 CD LYS A 546 -11.853 8.612 2.833 1.00 0.00 C ATOM 1151 CE LYS A 546 -11.791 10.127 2.951 1.00 0.00 C ATOM 1152 NZ LYS A 546 -11.210 10.558 4.253 1.00 0.00 N ATOM 0 H LYS A 546 -10.019 6.668 2.366 1.00 0.00 H new ATOM 0 HA LYS A 546 -10.946 5.372 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.058 6.308 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.206 6.173 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.989 8.763 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -13.510 8.396 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -12.456 8.207 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -10.851 8.196 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -11.192 10.531 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -12.794 10.541 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -11.185 11.597 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -11.795 10.194 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -10.244 10.184 4.343 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.073 8.441 -0.510 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.869 9.415 -1.575 1.00 0.00 C ATOM 1168 C GLU A 547 -8.464 9.297 -2.158 1.00 0.00 C ATOM 1169 O GLU A 547 -7.552 8.750 -1.539 1.00 0.00 O ATOM 1170 CB GLU A 547 -10.097 10.834 -1.049 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.540 11.298 -1.157 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.825 12.519 -0.304 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.195 13.570 -0.543 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -12.678 12.423 0.603 1.00 0.00 O ATOM 0 H GLU A 547 -9.630 8.685 0.376 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.590 9.208 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.786 10.880 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.460 11.524 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.768 11.526 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.202 10.486 -0.856 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.285 9.821 -3.380 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.995 9.787 -4.074 1.00 0.00 C ATOM 1183 C PRO A 548 -5.962 10.701 -3.424 1.00 0.00 C ATOM 1184 O PRO A 548 -4.759 10.452 -3.509 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.336 10.284 -5.482 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.557 11.118 -5.303 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.328 10.488 -4.177 1.00 0.00 C ATOM 0 HA PRO A 548 -6.548 8.793 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.517 10.866 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.521 9.452 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.294 12.149 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -9.151 11.142 -6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.866 11.234 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -10.068 9.778 -4.545 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.439 11.757 -2.773 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.555 12.707 -2.108 1.00 0.00 C ATOM 1197 C GLN A 549 -4.768 12.029 -0.991 1.00 0.00 C ATOM 1198 O GLN A 549 -3.575 12.274 -0.822 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.363 13.877 -1.542 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.501 15.023 -1.037 1.00 0.00 C ATOM 1201 CD GLN A 549 -6.250 16.340 -0.991 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -6.948 16.704 -1.938 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -6.109 17.063 0.114 1.00 0.00 N ATOM 0 H GLN A 549 -7.432 11.976 -2.692 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.848 13.086 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -7.035 14.251 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.987 13.515 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -5.133 14.784 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.628 15.128 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -5.520 16.723 0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.589 17.958 0.202 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.447 11.175 -0.230 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.795 10.476 0.861 1.00 0.00 C ATOM 1214 C GLY A 550 -3.578 9.695 0.405 1.00 0.00 C ATOM 1215 O GLY A 550 -2.623 9.522 1.164 1.00 0.00 O ATOM 0 H GLY A 550 -6.436 10.956 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.496 11.196 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.506 9.795 1.328 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.612 9.221 -0.835 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.504 8.454 -1.390 1.00 0.00 C ATOM 1221 C ILE A 551 -1.316 9.356 -1.708 1.00 0.00 C ATOM 1222 O ILE A 551 -0.174 8.899 -1.761 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.922 7.705 -2.669 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -4.044 6.711 -2.361 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.726 6.990 -3.280 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.429 7.269 -2.602 1.00 0.00 C ATOM 0 H ILE A 551 -4.395 9.355 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 551 -2.213 7.727 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.294 8.431 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.908 5.821 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.964 6.396 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.038 6.465 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.956 7.719 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.326 6.272 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.174 6.510 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.585 8.142 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.528 7.558 -3.648 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.593 10.638 -1.918 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.547 11.605 -2.228 1.00 0.00 C ATOM 1240 C ILE A 552 0.098 12.143 -0.955 1.00 0.00 C ATOM 1241 O ILE A 552 1.290 12.447 -0.932 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.097 12.785 -3.050 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.824 12.273 -4.295 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.030 13.730 -3.440 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.550 13.357 -5.060 1.00 0.00 C ATOM 0 H ILE A 552 -2.533 11.032 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 552 0.203 11.080 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.810 13.335 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.102 11.795 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.541 11.507 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.375 14.559 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.508 14.117 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.765 13.192 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -3.042 12.921 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.296 13.820 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.835 14.112 -5.388 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.698 12.258 0.103 1.00 0.00 N ATOM 1258 CA ALA A 553 -0.204 12.755 1.380 1.00 0.00 C ATOM 1259 C ALA A 553 0.908 11.865 1.924 1.00 0.00 C ATOM 1260 O ALA A 553 1.806 12.334 2.624 1.00 0.00 O ATOM 1261 CB ALA A 553 -1.343 12.853 2.385 1.00 0.00 C ATOM 0 H ALA A 553 -1.688 12.013 0.100 1.00 0.00 H new ATOM 0 HA ALA A 553 0.210 13.750 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.959 13.226 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -2.103 13.537 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.783 11.867 2.533 1.00 0.00 H new ATOM 1267 N CYS A 554 0.841 10.578 1.598 1.00 0.00 N ATOM 1268 CA CYS A 554 1.842 9.621 2.056 1.00 0.00 C ATOM 1269 C CYS A 554 3.197 9.904 1.415 1.00 0.00 C ATOM 1270 O CYS A 554 4.164 10.234 2.103 1.00 0.00 O ATOM 1271 CB CYS A 554 1.399 8.194 1.731 1.00 0.00 C ATOM 1272 SG CYS A 554 -0.392 7.948 1.780 1.00 0.00 S ATOM 0 H CYS A 554 0.105 10.174 1.019 1.00 0.00 H new ATOM 0 HA CYS A 554 1.942 9.726 3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.764 7.929 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 554 1.869 7.509 2.437 1.00 0.00 H new ATOM 0 HG CYS A 554 -0.982 8.931 1.166 1.00 0.00 H new ATOM 1278 N CYS A 555 3.261 9.770 0.095 1.00 0.00 N ATOM 1279 CA CYS A 555 4.499 10.009 -0.639 1.00 0.00 C ATOM 1280 C CYS A 555 4.979 11.443 -0.444 1.00 0.00 C ATOM 1281 O CYS A 555 4.317 12.392 -0.863 1.00 0.00 O ATOM 1282 CB CYS A 555 4.296 9.724 -2.128 1.00 0.00 C ATOM 1283 SG CYS A 555 2.712 10.301 -2.781 1.00 0.00 S ATOM 0 H CYS A 555 2.470 9.497 -0.489 1.00 0.00 H new ATOM 0 HA CYS A 555 5.261 9.334 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.102 10.195 -2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.376 8.650 -2.296 1.00 0.00 H new ATOM 0 HG CYS A 555 2.228 11.219 -1.998 1.00 0.00 H new ATOM 1289 N ASN A 556 6.133 11.594 0.197 1.00 0.00 N ATOM 1290 CA ASN A 556 6.701 12.913 0.450 1.00 0.00 C ATOM 1291 C ASN A 556 8.220 12.888 0.306 1.00 0.00 C ATOM 1292 O ASN A 556 8.938 12.330 1.136 1.00 0.00 O ATOM 1293 CB ASN A 556 6.318 13.396 1.850 1.00 0.00 C ATOM 1294 CG ASN A 556 6.348 14.907 1.969 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.378 15.495 2.301 1.00 0.00 O ATOM 1296 ND2 ASN A 556 5.215 15.545 1.698 1.00 0.00 N ATOM 0 H ASN A 556 6.694 10.819 0.551 1.00 0.00 H new ATOM 0 HA ASN A 556 6.295 13.604 -0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 556 5.319 13.035 2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 556 7.002 12.963 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 556 5.175 16.562 1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 556 4.385 15.018 1.427 1.00 0.00 H new ATOM 1303 N PRO A 557 8.722 13.509 -0.772 1.00 0.00 N ATOM 1304 CA PRO A 557 7.877 14.176 -1.766 1.00 0.00 C ATOM 1305 C PRO A 557 7.063 13.187 -2.593 1.00 0.00 C ATOM 1306 O PRO A 557 7.187 11.973 -2.427 1.00 0.00 O ATOM 1307 CB PRO A 557 8.886 14.912 -2.652 1.00 0.00 C ATOM 1308 CG PRO A 557 10.150 14.138 -2.509 1.00 0.00 C ATOM 1309 CD PRO A 557 10.154 13.606 -1.103 1.00 0.00 C ATOM 0 HA PRO A 557 7.140 14.831 -1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.555 14.941 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.016 15.945 -2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.194 13.325 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.018 14.772 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.647 12.636 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.680 14.275 -0.422 1.00 0.00 H new ATOM 1317 N VAL A 558 6.230 13.713 -3.486 1.00 0.00 N ATOM 1318 CA VAL A 558 5.397 12.876 -4.340 1.00 0.00 C ATOM 1319 C VAL A 558 6.081 12.600 -5.675 1.00 0.00 C ATOM 1320 O VAL A 558 6.475 13.514 -6.399 1.00 0.00 O ATOM 1321 CB VAL A 558 4.027 13.530 -4.603 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.142 12.604 -5.424 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.353 13.900 -3.291 1.00 0.00 C ATOM 0 H VAL A 558 6.115 14.715 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 558 5.246 11.935 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 558 4.184 14.445 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.179 13.083 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.623 12.394 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 558 2.990 11.671 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.387 14.361 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.207 13.002 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.982 14.603 -2.745 1.00 0.00 H new ATOM 1333 N PRO A 559 6.226 11.309 -6.010 1.00 0.00 N ATOM 1334 CA PRO A 559 6.862 10.883 -7.260 1.00 0.00 C ATOM 1335 C PRO A 559 6.010 11.206 -8.483 1.00 0.00 C ATOM 1336 O PRO A 559 4.796 11.390 -8.393 1.00 0.00 O ATOM 1337 CB PRO A 559 6.999 9.368 -7.089 1.00 0.00 C ATOM 1338 CG PRO A 559 5.924 8.996 -6.127 1.00 0.00 C ATOM 1339 CD PRO A 559 5.780 10.167 -5.194 1.00 0.00 C ATOM 0 HA PRO A 559 7.809 11.394 -7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 559 6.876 8.850 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 559 7.984 9.100 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 559 4.988 8.794 -6.647 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.186 8.091 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.750 10.290 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.393 10.047 -4.301 1.00 0.00 H new ATOM 1347 N PRO A 560 6.659 11.276 -9.655 1.00 0.00 N ATOM 1348 CA PRO A 560 5.980 11.576 -10.919 1.00 0.00 C ATOM 1349 C PRO A 560 5.076 10.436 -11.376 1.00 0.00 C ATOM 1350 O PRO A 560 4.406 10.536 -12.405 1.00 0.00 O ATOM 1351 CB PRO A 560 7.135 11.771 -11.904 1.00 0.00 C ATOM 1352 CG PRO A 560 8.261 10.982 -11.329 1.00 0.00 C ATOM 1353 CD PRO A 560 8.105 11.067 -9.836 1.00 0.00 C ATOM 0 HA PRO A 560 5.324 12.442 -10.834 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.870 11.415 -12.900 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.399 12.824 -12.001 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.225 9.946 -11.667 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.223 11.387 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.444 10.155 -9.344 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.685 11.889 -9.418 1.00 0.00 H new ATOM 1361 N LEU A 561 5.061 9.354 -10.606 1.00 0.00 N ATOM 1362 CA LEU A 561 4.237 8.195 -10.931 1.00 0.00 C ATOM 1363 C LEU A 561 2.958 8.185 -10.101 1.00 0.00 C ATOM 1364 O LEU A 561 1.864 8.400 -10.623 1.00 0.00 O ATOM 1365 CB LEU A 561 5.023 6.904 -10.694 1.00 0.00 C ATOM 1366 CG LEU A 561 6.282 6.719 -11.543 1.00 0.00 C ATOM 1367 CD1 LEU A 561 7.127 5.577 -11.002 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.913 6.470 -12.998 1.00 0.00 C ATOM 0 H LEU A 561 5.610 9.255 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 561 3.963 8.259 -11.984 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.309 6.864 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.359 6.059 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 561 6.870 7.635 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.018 5.460 -11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.422 5.797 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.548 4.654 -11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.821 6.341 -13.587 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.303 5.570 -13.070 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.350 7.321 -13.381 1.00 0.00 H new ATOM 1380 N VAL A 562 3.103 7.934 -8.803 1.00 0.00 N ATOM 1381 CA VAL A 562 1.960 7.899 -7.899 1.00 0.00 C ATOM 1382 C VAL A 562 0.960 9.000 -8.234 1.00 0.00 C ATOM 1383 O VAL A 562 -0.251 8.806 -8.126 1.00 0.00 O ATOM 1384 CB VAL A 562 2.401 8.052 -6.431 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.190 8.201 -5.522 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.254 6.866 -6.005 1.00 0.00 C ATOM 0 H VAL A 562 4.001 7.752 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 562 1.484 6.927 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 562 3.005 8.955 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.521 8.308 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.622 9.084 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.558 7.318 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.557 6.990 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.677 5.947 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.140 6.810 -6.637 1.00 0.00 H new ATOM 1396 N ARG A 563 1.474 10.155 -8.643 1.00 0.00 N ATOM 1397 CA ARG A 563 0.626 11.288 -8.995 1.00 0.00 C ATOM 1398 C ARG A 563 -0.056 11.059 -10.340 1.00 0.00 C ATOM 1399 O ARG A 563 -1.211 11.438 -10.532 1.00 0.00 O ATOM 1400 CB ARG A 563 1.452 12.575 -9.042 1.00 0.00 C ATOM 1401 CG ARG A 563 0.615 13.828 -9.244 1.00 0.00 C ATOM 1402 CD ARG A 563 0.149 14.406 -7.917 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.236 15.810 -8.038 1.00 0.00 N ATOM 1404 CZ ARG A 563 -0.209 16.669 -7.025 1.00 0.00 C ATOM 1405 NH1 ARG A 563 0.183 16.269 -5.823 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -0.575 17.930 -7.213 1.00 0.00 N ATOM 0 H ARG A 563 2.474 10.331 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.143 11.386 -8.229 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.015 12.670 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.180 12.500 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.199 14.574 -9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.250 13.593 -9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.698 13.828 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 563 0.946 14.311 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 563 -0.542 16.149 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 563 0.465 15.300 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 563 0.203 16.930 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -0.878 18.241 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -0.554 18.589 -6.434 1.00 0.00 H new ATOM 1420 N GLN A 564 0.666 10.437 -11.266 1.00 0.00 N ATOM 1421 CA GLN A 564 0.130 10.160 -12.594 1.00 0.00 C ATOM 1422 C GLN A 564 -0.921 9.056 -12.536 1.00 0.00 C ATOM 1423 O GLN A 564 -2.035 9.221 -13.033 1.00 0.00 O ATOM 1424 CB GLN A 564 1.256 9.759 -13.548 1.00 0.00 C ATOM 1425 CG GLN A 564 0.764 9.298 -14.910 1.00 0.00 C ATOM 1426 CD GLN A 564 1.899 8.960 -15.857 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.256 9.756 -16.726 1.00 0.00 O ATOM 1428 NE2 GLN A 564 2.473 7.774 -15.694 1.00 0.00 N ATOM 0 H GLN A 564 1.623 10.115 -11.122 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.344 11.069 -12.965 1.00 0.00 H new ATOM 0 HB2 GLN A 564 1.927 10.607 -13.681 1.00 0.00 H new ATOM 0 HB3 GLN A 564 1.840 8.959 -13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.127 8.422 -14.785 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.147 10.080 -15.353 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.145 7.145 -14.961 1.00 0.00 H new ATOM 0 HE22 GLN A 564 3.242 7.492 -16.302 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.558 7.931 -11.928 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.470 6.800 -11.807 1.00 0.00 C ATOM 1439 C GLN A 565 -2.271 6.883 -10.513 1.00 0.00 C ATOM 1440 O GLN A 565 -2.786 5.876 -10.025 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.692 5.483 -11.856 1.00 0.00 C ATOM 1442 CG GLN A 565 0.234 5.368 -13.056 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.478 4.868 -14.297 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.245 5.599 -14.924 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.227 3.615 -14.659 1.00 0.00 N ATOM 0 H GLN A 565 0.361 7.779 -11.512 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.165 6.835 -12.646 1.00 0.00 H new ATOM 0 HB2 GLN A 565 -0.104 5.384 -10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.399 4.653 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.676 6.342 -13.263 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.053 4.691 -12.814 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.416 3.045 -14.110 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -0.677 3.223 -15.486 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.373 8.087 -9.962 1.00 0.00 N ATOM 1455 CA ILE A 566 -3.113 8.301 -8.724 1.00 0.00 C ATOM 1456 C ILE A 566 -4.531 7.750 -8.829 1.00 0.00 C ATOM 1457 O ILE A 566 -5.110 7.305 -7.839 1.00 0.00 O ATOM 1458 CB ILE A 566 -3.181 9.796 -8.359 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.842 9.980 -6.992 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.939 10.568 -9.429 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -3.204 9.154 -5.896 1.00 0.00 C ATOM 0 H ILE A 566 -1.953 8.930 -10.353 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.576 7.768 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 566 -2.166 10.189 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.798 11.033 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.896 9.715 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.979 11.623 -9.157 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.429 10.459 -10.386 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.953 10.176 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.724 9.335 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.272 8.096 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -2.156 9.435 -5.792 1.00 0.00 H new ATOM 1473 N ASN A 567 -5.084 7.781 -10.037 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.435 7.284 -10.273 1.00 0.00 C ATOM 1475 C ASN A 567 -6.516 5.784 -10.004 1.00 0.00 C ATOM 1476 O ASN A 567 -7.411 5.318 -9.300 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.866 7.580 -11.711 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.569 9.009 -12.121 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -6.224 9.847 -11.287 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -6.702 9.294 -13.411 1.00 0.00 N ATOM 0 H ASN A 567 -4.618 8.145 -10.868 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.110 7.796 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.354 6.897 -12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.934 7.390 -11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -6.516 10.239 -13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -6.990 8.568 -14.067 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.575 5.035 -10.570 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.542 3.588 -10.392 1.00 0.00 C ATOM 1489 C GLU A 568 -5.354 3.225 -8.921 1.00 0.00 C ATOM 1490 O GLU A 568 -6.104 2.421 -8.369 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.416 2.975 -11.227 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.630 1.506 -11.553 1.00 0.00 C ATOM 1493 CD GLU A 568 -6.075 1.187 -11.886 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.872 0.991 -10.944 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -6.409 1.135 -13.088 1.00 0.00 O ATOM 0 H GLU A 568 -4.826 5.406 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.497 3.184 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.319 3.535 -12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.475 3.086 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.997 1.229 -12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.314 0.899 -10.704 1.00 0.00 H new ATOM 1502 N MET A 569 -4.347 3.825 -8.294 1.00 0.00 N ATOM 1503 CA MET A 569 -4.061 3.566 -6.888 1.00 0.00 C ATOM 1504 C MET A 569 -5.307 3.771 -6.032 1.00 0.00 C ATOM 1505 O MET A 569 -5.647 2.929 -5.200 1.00 0.00 O ATOM 1506 CB MET A 569 -2.936 4.480 -6.397 1.00 0.00 C ATOM 1507 CG MET A 569 -1.684 4.416 -7.257 1.00 0.00 C ATOM 1508 SD MET A 569 -0.278 5.254 -6.499 1.00 0.00 S ATOM 1509 CE MET A 569 0.236 4.031 -5.295 1.00 0.00 C ATOM 0 H MET A 569 -3.716 4.493 -8.737 1.00 0.00 H new ATOM 0 HA MET A 569 -3.744 2.527 -6.794 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.298 5.508 -6.372 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.678 4.208 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.426 3.373 -7.439 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.891 4.867 -8.228 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.293 4.167 -5.067 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.350 4.149 -4.384 1.00 0.00 H new ATOM 0 HE3 MET A 569 0.078 3.032 -5.701 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.986 4.895 -6.243 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.195 5.210 -5.491 1.00 0.00 C ATOM 1521 C HIS A 570 -8.218 4.084 -5.610 1.00 0.00 C ATOM 1522 O HIS A 570 -8.770 3.624 -4.609 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.804 6.521 -5.988 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.222 6.727 -5.553 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.117 7.509 -6.251 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.898 6.246 -4.484 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.283 7.501 -5.630 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.177 6.742 -4.554 1.00 0.00 N ATOM 0 H HIS A 570 -5.719 5.602 -6.928 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.921 5.320 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.198 7.353 -5.628 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.760 6.542 -7.077 1.00 0.00 H new ATOM 0 HD1 HIS A 570 -9.911 8.015 -7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.505 5.594 -3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.172 8.026 -5.948 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.466 3.644 -6.838 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.423 2.572 -7.089 1.00 0.00 C ATOM 1538 C LEU A 571 -9.113 1.353 -6.226 1.00 0.00 C ATOM 1539 O LEU A 571 -10.009 0.762 -5.621 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.406 2.181 -8.568 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.898 3.246 -9.549 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.563 2.850 -10.978 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.395 3.465 -9.390 1.00 0.00 C ATOM 0 H LEU A 571 -8.017 4.013 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.416 2.937 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.386 1.909 -8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -10.019 1.288 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.388 4.183 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -9.921 3.620 -11.662 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.483 2.745 -11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.045 1.901 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.728 4.226 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.922 2.532 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.609 3.795 -8.373 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.838 0.982 -6.171 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.409 -0.166 -5.379 1.00 0.00 C ATOM 1557 C LEU A 572 -7.810 0.000 -3.917 1.00 0.00 C ATOM 1558 O LEU A 572 -8.394 -0.903 -3.317 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.893 -0.346 -5.486 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.323 -0.404 -6.904 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.803 -0.444 -6.867 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.872 -1.611 -7.650 1.00 0.00 C ATOM 0 H LEU A 572 -7.084 1.459 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.904 -1.053 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.411 0.475 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.619 -1.265 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.629 0.497 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.415 -0.485 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.427 0.451 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.476 -1.327 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.456 -1.636 -8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.596 -2.523 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.958 -1.540 -7.708 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.496 1.160 -3.350 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.827 1.445 -1.960 1.00 0.00 C ATOM 1576 C ILE A 573 -9.315 1.243 -1.697 1.00 0.00 C ATOM 1577 O ILE A 573 -9.703 0.667 -0.680 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.440 2.885 -1.573 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.949 3.120 -1.823 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.787 3.153 -0.116 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.068 1.995 -1.325 1.00 0.00 C ATOM 0 H ILE A 573 -7.013 1.918 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.254 0.747 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 573 -8.007 3.578 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.785 3.253 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.649 4.048 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.508 4.174 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.859 3.021 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.244 2.456 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.025 2.229 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.203 1.876 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.341 1.068 -1.830 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.144 1.719 -2.620 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.590 1.589 -2.488 1.00 0.00 C ATOM 1595 C GLN A 574 -12.006 0.122 -2.478 1.00 0.00 C ATOM 1596 O GLN A 574 -12.902 -0.273 -1.732 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.296 2.324 -3.629 1.00 0.00 C ATOM 1598 CG GLN A 574 -12.020 3.818 -3.653 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.910 4.592 -2.701 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.533 4.617 -1.427 1.00 0.00 O flip ATOM 1601 NE2 GLN A 574 -13.925 5.160 -3.104 1.00 0.00 N flip ATOM 0 H GLN A 574 -9.839 2.198 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.885 2.038 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -11.983 1.890 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.371 2.163 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.976 3.995 -3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.164 4.194 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -14.177 5.115 -4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -14.514 5.676 -2.451 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.351 -0.680 -3.311 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.654 -2.103 -3.397 1.00 0.00 C ATOM 1612 C GLN A 575 -11.376 -2.801 -2.070 1.00 0.00 C ATOM 1613 O GLN A 575 -12.165 -3.629 -1.616 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.832 -2.755 -4.511 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.260 -2.334 -5.908 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.979 -3.399 -6.950 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.757 -4.339 -7.118 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.864 -3.258 -7.656 1.00 0.00 N ATOM 0 H GLN A 575 -10.607 -0.368 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.714 -2.209 -3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.781 -2.503 -4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.914 -3.839 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.326 -2.107 -5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.740 -1.416 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.248 -2.463 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.623 -3.944 -8.371 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.249 -2.461 -1.453 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.868 -3.054 -0.177 1.00 0.00 C ATOM 1629 C ALA A 576 -10.846 -2.660 0.925 1.00 0.00 C ATOM 1630 O ALA A 576 -11.139 -3.452 1.820 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.453 -2.638 0.197 1.00 0.00 C ATOM 0 H ALA A 576 -9.584 -1.778 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 576 -9.900 -4.138 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.182 -3.088 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.759 -2.975 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.403 -1.552 0.280 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.347 -1.431 0.854 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.290 -0.931 1.847 1.00 0.00 C ATOM 1639 C ARG A 577 -13.695 -1.463 1.578 1.00 0.00 C ATOM 1640 O ARG A 577 -14.476 -1.674 2.504 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.303 0.599 1.845 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.047 1.219 2.436 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.195 2.723 2.606 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.306 3.067 3.489 1.00 0.00 N ATOM 1645 CZ ARG A 577 -13.560 3.207 3.074 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -13.861 3.033 1.794 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -14.516 3.522 3.939 1.00 0.00 N ATOM 0 H ARG A 577 -11.115 -0.763 0.119 1.00 0.00 H new ATOM 0 HA ARG A 577 -11.968 -1.283 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.425 0.952 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.169 0.947 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -10.834 0.762 3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.196 1.007 1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.270 3.135 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.351 3.185 1.631 1.00 0.00 H new ATOM 0 HE ARG A 577 -12.108 3.208 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -13.129 2.791 1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -14.825 3.141 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -14.288 3.657 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -15.478 3.629 3.619 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.008 -1.675 0.303 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.319 -2.180 -0.087 1.00 0.00 C ATOM 1663 C GLU A 578 -15.746 -3.337 0.811 1.00 0.00 C ATOM 1664 O GLU A 578 -16.861 -3.355 1.331 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.301 -2.633 -1.548 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.669 -1.534 -2.531 1.00 0.00 C ATOM 1667 CD GLU A 578 -16.968 -0.841 -2.172 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -18.035 -1.309 -2.620 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -16.918 0.171 -1.441 1.00 0.00 O ATOM 0 H GLU A 578 -13.372 -1.505 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.040 -1.371 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.307 -3.008 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -15.994 -3.465 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -14.866 -0.798 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.753 -1.959 -3.531 1.00 0.00 H new ATOM 1676 N MET A 579 -14.849 -4.302 0.988 1.00 0.00 N ATOM 1677 CA MET A 579 -15.132 -5.464 1.824 1.00 0.00 C ATOM 1678 C MET A 579 -15.097 -5.091 3.303 1.00 0.00 C ATOM 1679 O MET A 579 -14.286 -4.275 3.742 1.00 0.00 O ATOM 1680 CB MET A 579 -14.123 -6.579 1.543 1.00 0.00 C ATOM 1681 CG MET A 579 -12.683 -6.181 1.823 1.00 0.00 C ATOM 1682 SD MET A 579 -12.206 -6.465 3.539 1.00 0.00 S ATOM 1683 CE MET A 579 -12.240 -8.254 3.607 1.00 0.00 C ATOM 0 H MET A 579 -13.921 -4.303 0.564 1.00 0.00 H new ATOM 0 HA MET A 579 -16.133 -5.820 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.376 -7.448 2.151 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.211 -6.883 0.500 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.020 -6.745 1.167 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.548 -5.127 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 579 -12.567 -8.574 4.596 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.932 -8.634 2.855 1.00 0.00 H new ATOM 0 HE3 MET A 579 -11.241 -8.645 3.411 1.00 0.00 H new