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 554 CYS SG : rot -95:sc= -3.26! USER MOD Set 1.2: A 555 CYS SG : rot 22:sc= -3.13! USER MOD Set 2.1: A 520 THR OG1 : rot 157:sc= 0.535 USER MOD Set 2.2: A 565 GLN : amide:sc= -1.04 K(o=-0.5,f=-6.5!) USER MOD Single : A 504 THR OG1 : rot 24:sc= 0.068 USER MOD Single : A 505 GLN : amide:sc= -0.392 K(o=-0.39,f=-0.92) USER MOD Single : A 506 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 508 THR OG1 : rot 180:sc= 0 USER MOD Single : A 511 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -1.5! C(o=-1.5!,f=-4.1!) USER MOD Single : A 535 HIS : no HE2:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 536 MET CE :methyl -136:sc= 0 (180deg=-0.00808) USER MOD Single : A 537 MET CE :methyl -167:sc= -0.0148 (180deg=-0.34) USER MOD Single : A 539 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 546 LYS NZ :NH3+ -158:sc= -0.0399 (180deg=-0.302) USER MOD Single : A 549 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.1) USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 GLN : amide:sc= 0.0499 X(o=0.05,f=0) USER MOD Single : A 567 ASN : amide:sc= 0.277 K(o=0.28,f=-2.7!) USER MOD Single : A 569 MET CE :methyl 167:sc= -0.115 (180deg=-0.577) USER MOD Single : A 570 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-4.7!) USER MOD Single : A 574 GLN :FLIP amide:sc= -0.49 F(o=-1.3,f=-0.49) USER MOD Single : A 575 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 579 MET CE :methyl -111:sc= -2.09 (180deg=-3.24!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.467 -7.184 8.269 1.00 0.00 N ATOM 446 CA THR A 504 -8.033 -7.778 7.065 1.00 0.00 C ATOM 447 C THR A 504 -7.903 -6.835 5.874 1.00 0.00 C ATOM 448 O THR A 504 -7.260 -7.165 4.878 1.00 0.00 O ATOM 449 CB THR A 504 -9.517 -8.139 7.261 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.659 -9.052 8.354 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.095 -8.759 5.997 1.00 0.00 C ATOM 0 HA THR A 504 -7.469 -8.689 6.866 1.00 0.00 H new ATOM 0 HB THR A 504 -10.065 -7.223 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 504 -8.893 -8.960 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.144 -9.006 6.160 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.012 -8.050 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.543 -9.666 5.751 1.00 0.00 H new ATOM 459 N GLN A 505 -8.519 -5.662 5.984 1.00 0.00 N ATOM 460 CA GLN A 505 -8.471 -4.672 4.915 1.00 0.00 C ATOM 461 C GLN A 505 -7.030 -4.305 4.576 1.00 0.00 C ATOM 462 O GLN A 505 -6.628 -4.343 3.414 1.00 0.00 O ATOM 463 CB GLN A 505 -9.249 -3.418 5.318 1.00 0.00 C ATOM 464 CG GLN A 505 -10.753 -3.555 5.151 1.00 0.00 C ATOM 465 CD GLN A 505 -11.497 -2.279 5.495 1.00 0.00 C ATOM 466 OE1 GLN A 505 -10.961 -1.396 6.165 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.739 -2.176 5.037 1.00 0.00 N ATOM 0 H GLN A 505 -9.057 -5.375 6.802 1.00 0.00 H new ATOM 0 HA GLN A 505 -8.932 -5.108 4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.027 -3.182 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -8.901 -2.576 4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -10.976 -3.835 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.113 -4.364 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.144 -2.933 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.289 -1.340 5.237 1.00 0.00 H new ATOM 476 N GLN A 506 -6.259 -3.950 5.599 1.00 0.00 N ATOM 477 CA GLN A 506 -4.863 -3.575 5.408 1.00 0.00 C ATOM 478 C GLN A 506 -4.165 -4.541 4.456 1.00 0.00 C ATOM 479 O GLN A 506 -3.448 -4.123 3.547 1.00 0.00 O ATOM 480 CB GLN A 506 -4.133 -3.546 6.752 1.00 0.00 C ATOM 481 CG GLN A 506 -4.479 -2.338 7.607 1.00 0.00 C ATOM 482 CD GLN A 506 -3.528 -2.158 8.774 1.00 0.00 C ATOM 483 OE1 GLN A 506 -2.904 -0.989 8.855 1.00 0.00 O flip ATOM 484 NE2 GLN A 506 -3.356 -3.060 9.594 1.00 0.00 N flip ATOM 0 H GLN A 506 -6.577 -3.914 6.567 1.00 0.00 H new ATOM 0 HA GLN A 506 -4.837 -2.578 4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.373 -4.453 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.058 -3.557 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.461 -1.442 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.496 -2.444 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -3.857 -3.943 9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -2.713 -2.924 10.374 1.00 0.00 H new ATOM 493 N LEU A 507 -4.379 -5.834 4.672 1.00 0.00 N ATOM 494 CA LEU A 507 -3.770 -6.860 3.834 1.00 0.00 C ATOM 495 C LEU A 507 -4.294 -6.777 2.404 1.00 0.00 C ATOM 496 O LEU A 507 -3.520 -6.692 1.450 1.00 0.00 O ATOM 497 CB LEU A 507 -4.048 -8.249 4.411 1.00 0.00 C ATOM 498 CG LEU A 507 -3.173 -8.673 5.591 1.00 0.00 C ATOM 499 CD1 LEU A 507 -3.720 -9.938 6.234 1.00 0.00 C ATOM 500 CD2 LEU A 507 -1.734 -8.880 5.141 1.00 0.00 C ATOM 0 H LEU A 507 -4.970 -6.197 5.420 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.694 -6.689 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.091 -8.288 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -3.928 -8.982 3.614 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.189 -7.876 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.084 -10.224 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -4.733 -9.755 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -3.736 -10.742 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.126 -9.181 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -1.700 -9.658 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.344 -7.949 4.728 1.00 0.00 H new ATOM 512 N THR A 508 -5.616 -6.800 2.261 1.00 0.00 N ATOM 513 CA THR A 508 -6.245 -6.727 0.948 1.00 0.00 C ATOM 514 C THR A 508 -5.604 -5.640 0.092 1.00 0.00 C ATOM 515 O THR A 508 -5.164 -5.898 -1.028 1.00 0.00 O ATOM 516 CB THR A 508 -7.755 -6.450 1.063 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.356 -7.380 1.971 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.430 -6.553 -0.296 1.00 0.00 C ATOM 0 H THR A 508 -6.272 -6.869 3.039 1.00 0.00 H new ATOM 0 HA THR A 508 -6.097 -7.696 0.472 1.00 0.00 H new ATOM 0 HB THR A 508 -7.888 -5.436 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.316 -7.196 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.496 -6.353 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 508 -7.991 -5.824 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.287 -7.556 -0.698 1.00 0.00 H new ATOM 526 N ALA A 509 -5.555 -4.424 0.627 1.00 0.00 N ATOM 527 CA ALA A 509 -4.965 -3.299 -0.088 1.00 0.00 C ATOM 528 C ALA A 509 -3.525 -3.598 -0.489 1.00 0.00 C ATOM 529 O ALA A 509 -3.154 -3.462 -1.655 1.00 0.00 O ATOM 530 CB ALA A 509 -5.027 -2.041 0.766 1.00 0.00 C ATOM 0 H ALA A 509 -5.917 -4.193 1.552 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.541 -3.136 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.583 -1.208 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.067 -1.810 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.476 -2.203 1.692 1.00 0.00 H new ATOM 536 N PHE A 510 -2.716 -4.004 0.484 1.00 0.00 N ATOM 537 CA PHE A 510 -1.315 -4.320 0.232 1.00 0.00 C ATOM 538 C PHE A 510 -1.167 -5.173 -1.024 1.00 0.00 C ATOM 539 O PHE A 510 -0.258 -4.962 -1.826 1.00 0.00 O ATOM 540 CB PHE A 510 -0.711 -5.052 1.433 1.00 0.00 C ATOM 541 CG PHE A 510 0.735 -5.414 1.249 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.097 -6.505 0.475 1.00 0.00 C ATOM 543 CD2 PHE A 510 1.732 -4.664 1.851 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.426 -6.840 0.304 1.00 0.00 C ATOM 545 CE2 PHE A 510 3.064 -4.994 1.683 1.00 0.00 C ATOM 546 CZ PHE A 510 3.411 -6.085 0.909 1.00 0.00 C ATOM 0 H PHE A 510 -3.007 -4.122 1.455 1.00 0.00 H new ATOM 0 HA PHE A 510 -0.779 -3.383 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -0.810 -4.424 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.284 -5.960 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 510 0.331 -7.100 0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 510 1.466 -3.812 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 510 2.695 -7.692 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 510 3.832 -4.400 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.451 -6.347 0.778 1.00 0.00 H new ATOM 556 N GLN A 511 -2.068 -6.137 -1.187 1.00 0.00 N ATOM 557 CA GLN A 511 -2.037 -7.023 -2.345 1.00 0.00 C ATOM 558 C GLN A 511 -2.318 -6.250 -3.629 1.00 0.00 C ATOM 559 O GLN A 511 -1.554 -6.326 -4.592 1.00 0.00 O ATOM 560 CB GLN A 511 -3.059 -8.149 -2.179 1.00 0.00 C ATOM 561 CG GLN A 511 -2.714 -9.404 -2.965 1.00 0.00 C ATOM 562 CD GLN A 511 -3.881 -10.366 -3.070 1.00 0.00 C ATOM 563 OE1 GLN A 511 -3.891 -11.420 -2.434 1.00 0.00 O ATOM 564 NE2 GLN A 511 -4.874 -10.007 -3.875 1.00 0.00 N ATOM 0 H GLN A 511 -2.828 -6.324 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 511 -1.039 -7.455 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -3.139 -8.403 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -4.038 -7.790 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -2.389 -9.123 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -1.874 -9.908 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -4.825 -9.124 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -5.686 -10.614 -3.985 1.00 0.00 H new ATOM 573 N LEU A 512 -3.419 -5.507 -3.637 1.00 0.00 N ATOM 574 CA LEU A 512 -3.802 -4.719 -4.804 1.00 0.00 C ATOM 575 C LEU A 512 -2.631 -3.878 -5.302 1.00 0.00 C ATOM 576 O LEU A 512 -2.318 -3.874 -6.493 1.00 0.00 O ATOM 577 CB LEU A 512 -4.988 -3.814 -4.466 1.00 0.00 C ATOM 578 CG LEU A 512 -6.254 -4.520 -3.980 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.230 -3.516 -3.386 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.906 -5.290 -5.119 1.00 0.00 C ATOM 0 H LEU A 512 -4.062 -5.433 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 512 -4.093 -5.408 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.673 -3.107 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.239 -3.231 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 512 -5.975 -5.230 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.125 -4.036 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -6.762 -3.009 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.503 -2.782 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.806 -5.786 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -7.171 -4.600 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -6.209 -6.036 -5.500 1.00 0.00 H new ATOM 592 N LEU A 513 -1.986 -3.169 -4.382 1.00 0.00 N ATOM 593 CA LEU A 513 -0.847 -2.325 -4.727 1.00 0.00 C ATOM 594 C LEU A 513 0.267 -3.149 -5.365 1.00 0.00 C ATOM 595 O LEU A 513 0.809 -2.778 -6.407 1.00 0.00 O ATOM 596 CB LEU A 513 -0.320 -1.612 -3.480 1.00 0.00 C ATOM 597 CG LEU A 513 -1.293 -0.652 -2.795 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.736 -0.194 -1.456 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.583 0.543 -3.691 1.00 0.00 C ATOM 0 H LEU A 513 -2.232 -3.162 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.182 -1.581 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.015 -2.367 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.575 -1.055 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.229 -1.181 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.442 0.489 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.580 -1.059 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.214 0.317 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.277 1.216 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.654 1.073 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -2.026 0.198 -4.626 1.00 0.00 H new ATOM 611 N PHE A 514 0.603 -4.269 -4.735 1.00 0.00 N ATOM 612 CA PHE A 514 1.652 -5.146 -5.241 1.00 0.00 C ATOM 613 C PHE A 514 1.465 -5.413 -6.732 1.00 0.00 C ATOM 614 O PHE A 514 2.298 -5.028 -7.552 1.00 0.00 O ATOM 615 CB PHE A 514 1.656 -6.469 -4.472 1.00 0.00 C ATOM 616 CG PHE A 514 2.935 -7.243 -4.618 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.101 -6.802 -4.013 1.00 0.00 C ATOM 618 CD2 PHE A 514 2.971 -8.413 -5.359 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.279 -7.512 -4.147 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.146 -9.128 -5.496 1.00 0.00 C ATOM 621 CZ PHE A 514 5.301 -8.677 -4.888 1.00 0.00 C ATOM 0 H PHE A 514 0.164 -4.591 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 514 2.610 -4.646 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.482 -6.266 -3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.826 -7.085 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.089 -5.893 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.070 -8.771 -5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.182 -7.156 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.161 -10.038 -6.078 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.220 -9.235 -4.992 1.00 0.00 H new ATOM 631 N ALA A 515 0.365 -6.076 -7.075 1.00 0.00 N ATOM 632 CA ALA A 515 0.066 -6.393 -8.466 1.00 0.00 C ATOM 633 C ALA A 515 0.247 -5.170 -9.359 1.00 0.00 C ATOM 634 O ALA A 515 0.879 -5.248 -10.413 1.00 0.00 O ATOM 635 CB ALA A 515 -1.349 -6.936 -8.591 1.00 0.00 C ATOM 0 H ALA A 515 -0.334 -6.404 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 515 0.767 -7.159 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.559 -7.168 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.446 -7.841 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -2.058 -6.188 -8.236 1.00 0.00 H new ATOM 641 N TRP A 516 -0.311 -4.044 -8.931 1.00 0.00 N ATOM 642 CA TRP A 516 -0.212 -2.805 -9.694 1.00 0.00 C ATOM 643 C TRP A 516 1.246 -2.427 -9.931 1.00 0.00 C ATOM 644 O TRP A 516 1.648 -2.145 -11.060 1.00 0.00 O ATOM 645 CB TRP A 516 -0.932 -1.672 -8.961 1.00 0.00 C ATOM 646 CG TRP A 516 -0.545 -0.308 -9.448 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.085 0.369 -10.503 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.468 0.542 -8.899 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.469 1.590 -10.643 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.487 1.720 -9.671 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.360 0.424 -7.829 1.00 0.00 C ATOM 652 CZ2 TRP A 516 1.363 2.769 -9.406 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.229 1.466 -7.567 1.00 0.00 C ATOM 654 CH2 TRP A 516 2.225 2.626 -8.353 1.00 0.00 C ATOM 0 H TRP A 516 -0.836 -3.963 -8.060 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.689 -2.964 -10.661 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.008 -1.800 -9.078 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.716 -1.744 -7.895 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -1.879 -0.000 -11.135 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -0.688 2.286 -11.355 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.370 -0.466 -7.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 1.362 3.664 -10.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.923 1.385 -6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.916 3.423 -8.123 1.00 0.00 H new ATOM 665 N ARG A 517 2.034 -2.424 -8.861 1.00 0.00 N ATOM 666 CA ARG A 517 3.447 -2.080 -8.954 1.00 0.00 C ATOM 667 C ARG A 517 4.118 -2.839 -10.095 1.00 0.00 C ATOM 668 O ARG A 517 4.797 -2.247 -10.934 1.00 0.00 O ATOM 669 CB ARG A 517 4.157 -2.388 -7.635 1.00 0.00 C ATOM 670 CG ARG A 517 5.537 -1.759 -7.523 1.00 0.00 C ATOM 671 CD ARG A 517 6.086 -1.868 -6.110 1.00 0.00 C ATOM 672 NE ARG A 517 6.123 -3.251 -5.642 1.00 0.00 N ATOM 673 CZ ARG A 517 6.948 -3.685 -4.695 1.00 0.00 C ATOM 674 NH1 ARG A 517 7.799 -2.847 -4.118 1.00 0.00 N ATOM 675 NH2 ARG A 517 6.922 -4.958 -4.323 1.00 0.00 N ATOM 0 H ARG A 517 1.717 -2.656 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 517 3.522 -1.012 -9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.539 -2.036 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.250 -3.469 -7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.219 -2.249 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.485 -0.710 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 517 7.091 -1.448 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.470 -1.273 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 517 5.480 -3.920 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 517 7.821 -1.867 -4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 517 8.431 -3.182 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 517 6.268 -5.605 -4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 517 7.556 -5.290 -3.596 1.00 0.00 H new ATOM 689 N ASP A 518 3.923 -4.153 -10.118 1.00 0.00 N ATOM 690 CA ASP A 518 4.508 -4.995 -11.156 1.00 0.00 C ATOM 691 C ASP A 518 4.056 -4.543 -12.541 1.00 0.00 C ATOM 692 O ASP A 518 4.869 -4.393 -13.453 1.00 0.00 O ATOM 693 CB ASP A 518 4.124 -6.458 -10.932 1.00 0.00 C ATOM 694 CG ASP A 518 4.434 -7.328 -12.134 1.00 0.00 C ATOM 695 OD1 ASP A 518 5.625 -7.438 -12.497 1.00 0.00 O ATOM 696 OD2 ASP A 518 3.487 -7.900 -12.713 1.00 0.00 O ATOM 0 H ASP A 518 3.365 -4.658 -9.430 1.00 0.00 H new ATOM 0 HA ASP A 518 5.592 -4.900 -11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.657 -6.842 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.059 -6.521 -10.706 1.00 0.00 H new ATOM 701 N LYS A 519 2.754 -4.328 -12.692 1.00 0.00 N ATOM 702 CA LYS A 519 2.192 -3.894 -13.965 1.00 0.00 C ATOM 703 C LYS A 519 2.970 -2.709 -14.527 1.00 0.00 C ATOM 704 O LYS A 519 3.554 -2.792 -15.608 1.00 0.00 O ATOM 705 CB LYS A 519 0.719 -3.515 -13.793 1.00 0.00 C ATOM 706 CG LYS A 519 0.048 -3.081 -15.085 1.00 0.00 C ATOM 707 CD LYS A 519 0.178 -1.583 -15.305 1.00 0.00 C ATOM 708 CE LYS A 519 -0.725 -0.801 -14.363 1.00 0.00 C ATOM 709 NZ LYS A 519 -2.133 -0.765 -14.847 1.00 0.00 N ATOM 0 H LYS A 519 2.067 -4.447 -11.947 1.00 0.00 H new ATOM 0 HA LYS A 519 2.268 -4.723 -14.669 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.179 -4.368 -13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.643 -2.708 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.495 -3.613 -15.925 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -1.007 -3.356 -15.058 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.214 -1.280 -15.153 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.076 -1.342 -16.337 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -0.693 -1.252 -13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.350 0.217 -14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -2.716 -0.223 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.167 -0.311 -15.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.500 -1.735 -14.919 1.00 0.00 H new ATOM 723 N THR A 520 2.977 -1.605 -13.785 1.00 0.00 N ATOM 724 CA THR A 520 3.684 -0.403 -14.209 1.00 0.00 C ATOM 725 C THR A 520 5.187 -0.645 -14.278 1.00 0.00 C ATOM 726 O THR A 520 5.867 -0.138 -15.169 1.00 0.00 O ATOM 727 CB THR A 520 3.408 0.776 -13.258 1.00 0.00 C ATOM 728 OG1 THR A 520 2.027 1.148 -13.326 1.00 0.00 O ATOM 729 CG2 THR A 520 4.279 1.972 -13.612 1.00 0.00 C ATOM 0 H THR A 520 2.501 -1.519 -12.887 1.00 0.00 H new ATOM 0 HA THR A 520 3.313 -0.152 -15.203 1.00 0.00 H new ATOM 0 HB THR A 520 3.648 0.459 -12.243 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.772 1.611 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.066 2.792 -12.927 1.00 0.00 H new ATOM 0 HG22 THR A 520 5.330 1.694 -13.530 1.00 0.00 H new ATOM 0 HG23 THR A 520 4.066 2.288 -14.633 1.00 0.00 H new ATOM 737 N ALA A 521 5.701 -1.424 -13.331 1.00 0.00 N ATOM 738 CA ALA A 521 7.124 -1.736 -13.287 1.00 0.00 C ATOM 739 C ALA A 521 7.643 -2.130 -14.665 1.00 0.00 C ATOM 740 O ALA A 521 8.768 -1.793 -15.035 1.00 0.00 O ATOM 741 CB ALA A 521 7.389 -2.848 -12.283 1.00 0.00 C ATOM 0 H ALA A 521 5.153 -1.850 -12.584 1.00 0.00 H new ATOM 0 HA ALA A 521 7.658 -0.840 -12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.456 -3.071 -12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.064 -2.529 -11.293 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.838 -3.742 -12.576 1.00 0.00 H new ATOM 747 N ARG A 522 6.817 -2.845 -15.422 1.00 0.00 N ATOM 748 CA ARG A 522 7.194 -3.286 -16.759 1.00 0.00 C ATOM 749 C ARG A 522 7.148 -2.125 -17.748 1.00 0.00 C ATOM 750 O ARG A 522 8.131 -1.840 -18.432 1.00 0.00 O ATOM 751 CB ARG A 522 6.267 -4.409 -17.229 1.00 0.00 C ATOM 752 CG ARG A 522 6.333 -5.656 -16.363 1.00 0.00 C ATOM 753 CD ARG A 522 7.630 -6.418 -16.581 1.00 0.00 C ATOM 754 NE ARG A 522 7.544 -7.794 -16.099 1.00 0.00 N ATOM 755 CZ ARG A 522 8.604 -8.528 -15.778 1.00 0.00 C ATOM 756 NH1 ARG A 522 9.824 -8.020 -15.888 1.00 0.00 N ATOM 757 NH2 ARG A 522 8.445 -9.772 -15.346 1.00 0.00 N ATOM 0 H ARG A 522 5.882 -3.131 -15.132 1.00 0.00 H new ATOM 0 HA ARG A 522 8.216 -3.662 -16.716 1.00 0.00 H new ATOM 0 HB2 ARG A 522 5.241 -4.040 -17.242 1.00 0.00 H new ATOM 0 HB3 ARG A 522 6.524 -4.675 -18.254 1.00 0.00 H new ATOM 0 HG2 ARG A 522 6.246 -5.376 -15.313 1.00 0.00 H new ATOM 0 HG3 ARG A 522 5.487 -6.304 -16.591 1.00 0.00 H new ATOM 0 HD2 ARG A 522 7.875 -6.421 -17.643 1.00 0.00 H new ATOM 0 HD3 ARG A 522 8.443 -5.904 -16.068 1.00 0.00 H new ATOM 0 HE ARG A 522 6.620 -8.215 -16.004 1.00 0.00 H new ATOM 0 HH11 ARG A 522 9.950 -7.064 -16.220 1.00 0.00 H new ATOM 0 HH12 ARG A 522 10.636 -8.586 -15.641 1.00 0.00 H new ATOM 0 HH21 ARG A 522 7.508 -10.166 -15.260 1.00 0.00 H new ATOM 0 HH22 ARG A 522 9.260 -10.334 -15.100 1.00 0.00 H new ATOM 771 N ARG A 523 5.999 -1.460 -17.818 1.00 0.00 N ATOM 772 CA ARG A 523 5.824 -0.332 -18.724 1.00 0.00 C ATOM 773 C ARG A 523 6.971 0.664 -18.581 1.00 0.00 C ATOM 774 O ARG A 523 7.552 1.102 -19.573 1.00 0.00 O ATOM 775 CB ARG A 523 4.491 0.367 -18.451 1.00 0.00 C ATOM 776 CG ARG A 523 3.310 -0.272 -19.163 1.00 0.00 C ATOM 777 CD ARG A 523 3.337 0.018 -20.656 1.00 0.00 C ATOM 778 NE ARG A 523 2.391 -0.816 -21.393 1.00 0.00 N ATOM 779 CZ ARG A 523 1.095 -0.544 -21.496 1.00 0.00 C ATOM 780 NH1 ARG A 523 0.593 0.536 -20.912 1.00 0.00 N ATOM 781 NH2 ARG A 523 0.299 -1.351 -22.184 1.00 0.00 N ATOM 0 H ARG A 523 5.176 -1.683 -17.258 1.00 0.00 H new ATOM 0 HA ARG A 523 5.824 -0.715 -19.744 1.00 0.00 H new ATOM 0 HB2 ARG A 523 4.302 0.364 -17.378 1.00 0.00 H new ATOM 0 HB3 ARG A 523 4.568 1.410 -18.758 1.00 0.00 H new ATOM 0 HG2 ARG A 523 3.325 -1.350 -19.000 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.380 0.102 -18.735 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.102 1.069 -20.825 1.00 0.00 H new ATOM 0 HD3 ARG A 523 4.343 -0.150 -21.040 1.00 0.00 H new ATOM 0 HE ARG A 523 2.745 -1.654 -21.854 1.00 0.00 H new ATOM 0 HH11 ARG A 523 1.203 1.159 -20.383 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -0.403 0.743 -20.992 1.00 0.00 H new ATOM 0 HH21 ARG A 523 0.682 -2.182 -22.635 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -0.696 -1.141 -22.262 1.00 0.00 H new ATOM 795 N GLU A 524 7.290 1.017 -17.340 1.00 0.00 N ATOM 796 CA GLU A 524 8.367 1.961 -17.068 1.00 0.00 C ATOM 797 C GLU A 524 9.730 1.312 -17.291 1.00 0.00 C ATOM 798 O GLU A 524 10.677 1.966 -17.730 1.00 0.00 O ATOM 799 CB GLU A 524 8.268 2.483 -15.633 1.00 0.00 C ATOM 800 CG GLU A 524 7.209 3.557 -15.448 1.00 0.00 C ATOM 801 CD GLU A 524 7.526 4.828 -16.212 1.00 0.00 C ATOM 802 OE1 GLU A 524 8.702 5.249 -16.202 1.00 0.00 O ATOM 803 OE2 GLU A 524 6.598 5.401 -16.821 1.00 0.00 O ATOM 0 H GLU A 524 6.818 0.664 -16.508 1.00 0.00 H new ATOM 0 HA GLU A 524 8.265 2.797 -17.760 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.048 1.649 -14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.236 2.884 -15.333 1.00 0.00 H new ATOM 0 HG2 GLU A 524 6.244 3.171 -15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 524 7.114 3.789 -14.387 1.00 0.00 H new ATOM 810 N ASP A 525 9.822 0.023 -16.986 1.00 0.00 N ATOM 811 CA ASP A 525 11.068 -0.716 -17.153 1.00 0.00 C ATOM 812 C ASP A 525 12.107 -0.266 -16.131 1.00 0.00 C ATOM 813 O ASP A 525 13.279 -0.088 -16.462 1.00 0.00 O ATOM 814 CB ASP A 525 11.611 -0.527 -18.570 1.00 0.00 C ATOM 815 CG ASP A 525 12.591 -1.615 -18.964 1.00 0.00 C ATOM 816 OD1 ASP A 525 12.144 -2.648 -19.507 1.00 0.00 O ATOM 817 OD2 ASP A 525 13.804 -1.434 -18.730 1.00 0.00 O ATOM 0 H ASP A 525 9.048 -0.533 -16.621 1.00 0.00 H new ATOM 0 HA ASP A 525 10.860 -1.774 -16.991 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.781 -0.517 -19.276 1.00 0.00 H new ATOM 0 HB3 ASP A 525 12.102 0.444 -18.641 1.00 0.00 H new ATOM 822 N GLU A 526 11.669 -0.084 -14.890 1.00 0.00 N ATOM 823 CA GLU A 526 12.563 0.347 -13.821 1.00 0.00 C ATOM 824 C GLU A 526 12.444 -0.572 -12.609 1.00 0.00 C ATOM 825 O GLU A 526 11.512 -1.370 -12.510 1.00 0.00 O ATOM 826 CB GLU A 526 12.249 1.789 -13.414 1.00 0.00 C ATOM 827 CG GLU A 526 12.863 2.829 -14.337 1.00 0.00 C ATOM 828 CD GLU A 526 12.932 4.204 -13.701 1.00 0.00 C ATOM 829 OE1 GLU A 526 13.764 4.394 -12.790 1.00 0.00 O ATOM 830 OE2 GLU A 526 12.154 5.089 -14.115 1.00 0.00 O ATOM 0 H GLU A 526 10.702 -0.228 -14.600 1.00 0.00 H new ATOM 0 HA GLU A 526 13.586 0.297 -14.195 1.00 0.00 H new ATOM 0 HB2 GLU A 526 11.168 1.925 -13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 526 12.609 1.958 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 526 13.867 2.512 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 526 12.278 2.886 -15.255 1.00 0.00 H new ATOM 837 N SER A 527 13.396 -0.454 -11.689 1.00 0.00 N ATOM 838 CA SER A 527 13.402 -1.277 -10.485 1.00 0.00 C ATOM 839 C SER A 527 12.159 -1.013 -9.640 1.00 0.00 C ATOM 840 O SER A 527 11.798 0.137 -9.389 1.00 0.00 O ATOM 841 CB SER A 527 14.661 -1.002 -9.660 1.00 0.00 C ATOM 842 OG SER A 527 14.748 -1.883 -8.554 1.00 0.00 O ATOM 0 H SER A 527 14.173 0.203 -11.754 1.00 0.00 H new ATOM 0 HA SER A 527 13.397 -2.323 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 527 15.544 -1.115 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.651 0.029 -9.308 1.00 0.00 H new ATOM 0 HG SER A 527 15.562 -1.688 -8.044 1.00 0.00 H new ATOM 848 N TYR A 528 11.509 -2.086 -9.205 1.00 0.00 N ATOM 849 CA TYR A 528 10.305 -1.972 -8.391 1.00 0.00 C ATOM 850 C TYR A 528 10.469 -0.895 -7.323 1.00 0.00 C ATOM 851 O TYR A 528 9.639 0.004 -7.199 1.00 0.00 O ATOM 852 CB TYR A 528 9.980 -3.314 -7.732 1.00 0.00 C ATOM 853 CG TYR A 528 9.867 -4.459 -8.713 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.790 -4.547 -9.586 1.00 0.00 C ATOM 855 CD2 TYR A 528 10.837 -5.452 -8.767 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.682 -5.591 -10.484 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.738 -6.499 -9.662 1.00 0.00 C ATOM 858 CZ TYR A 528 9.658 -6.565 -10.519 1.00 0.00 C ATOM 859 OH TYR A 528 9.555 -7.607 -11.411 1.00 0.00 O ATOM 0 H TYR A 528 11.796 -3.045 -9.402 1.00 0.00 H new ATOM 0 HA TYR A 528 9.481 -1.687 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 528 10.755 -3.548 -7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.042 -3.222 -7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.024 -3.786 -9.562 1.00 0.00 H new ATOM 0 HD2 TYR A 528 11.683 -5.404 -8.097 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.838 -5.644 -11.155 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.502 -7.262 -9.691 1.00 0.00 H new ATOM 0 HH TYR A 528 10.325 -8.204 -11.307 1.00 0.00 H new ATOM 869 N GLY A 529 11.549 -0.993 -6.554 1.00 0.00 N ATOM 870 CA GLY A 529 11.805 -0.022 -5.506 1.00 0.00 C ATOM 871 C GLY A 529 11.418 1.386 -5.914 1.00 0.00 C ATOM 872 O GLY A 529 10.686 2.068 -5.197 1.00 0.00 O ATOM 0 H GLY A 529 12.252 -1.728 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.250 -0.303 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.863 -0.044 -5.245 1.00 0.00 H new ATOM 876 N TYR A 530 11.911 1.822 -7.068 1.00 0.00 N ATOM 877 CA TYR A 530 11.615 3.160 -7.568 1.00 0.00 C ATOM 878 C TYR A 530 10.109 3.395 -7.638 1.00 0.00 C ATOM 879 O TYR A 530 9.591 4.350 -7.059 1.00 0.00 O ATOM 880 CB TYR A 530 12.238 3.359 -8.950 1.00 0.00 C ATOM 881 CG TYR A 530 11.494 4.354 -9.812 1.00 0.00 C ATOM 882 CD1 TYR A 530 11.377 5.684 -9.429 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.908 3.964 -11.010 1.00 0.00 C ATOM 884 CE1 TYR A 530 10.697 6.596 -10.212 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.228 4.869 -11.801 1.00 0.00 C ATOM 886 CZ TYR A 530 10.125 6.184 -11.398 1.00 0.00 C ATOM 887 OH TYR A 530 9.447 7.089 -12.182 1.00 0.00 O ATOM 0 H TYR A 530 12.517 1.269 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 530 12.045 3.883 -6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.268 3.694 -8.830 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.273 2.399 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 530 11.826 6.011 -8.503 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.986 2.935 -11.328 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.613 7.626 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.779 4.549 -12.730 1.00 0.00 H new ATOM 0 HH TYR A 530 9.106 6.638 -12.982 1.00 0.00 H new ATOM 897 N VAL A 531 9.412 2.516 -8.351 1.00 0.00 N ATOM 898 CA VAL A 531 7.966 2.625 -8.496 1.00 0.00 C ATOM 899 C VAL A 531 7.294 2.860 -7.148 1.00 0.00 C ATOM 900 O VAL A 531 6.643 3.884 -6.936 1.00 0.00 O ATOM 901 CB VAL A 531 7.369 1.360 -9.141 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.857 1.482 -9.258 1.00 0.00 C ATOM 903 CG2 VAL A 531 7.999 1.110 -10.503 1.00 0.00 C ATOM 0 H VAL A 531 9.826 1.721 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 531 7.777 3.479 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 531 7.591 0.507 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.453 0.579 -9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.424 1.610 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.608 2.345 -9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.566 0.213 -10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.809 1.963 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.074 0.975 -10.387 1.00 0.00 H new ATOM 913 N LEU A 532 7.456 1.906 -6.238 1.00 0.00 N ATOM 914 CA LEU A 532 6.866 2.008 -4.908 1.00 0.00 C ATOM 915 C LEU A 532 7.503 1.005 -3.951 1.00 0.00 C ATOM 916 O LEU A 532 7.283 -0.203 -4.042 1.00 0.00 O ATOM 917 CB LEU A 532 5.356 1.774 -4.979 1.00 0.00 C ATOM 918 CG LEU A 532 4.556 2.170 -3.737 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.318 3.671 -3.712 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.235 1.417 -3.692 1.00 0.00 C ATOM 0 H LEU A 532 7.991 1.052 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 532 7.054 3.013 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 532 4.963 2.327 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.181 0.716 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 532 5.135 1.901 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.747 3.934 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.276 4.191 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.760 3.966 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.679 1.711 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.650 1.655 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.428 0.345 -3.661 1.00 0.00 H new ATOM 932 N PRO A 533 8.310 1.515 -3.010 1.00 0.00 N ATOM 933 CA PRO A 533 8.993 0.682 -2.016 1.00 0.00 C ATOM 934 C PRO A 533 8.027 0.081 -1.001 1.00 0.00 C ATOM 935 O PRO A 533 6.811 0.206 -1.138 1.00 0.00 O ATOM 936 CB PRO A 533 9.950 1.660 -1.329 1.00 0.00 C ATOM 937 CG PRO A 533 9.320 2.998 -1.513 1.00 0.00 C ATOM 938 CD PRO A 533 8.618 2.945 -2.842 1.00 0.00 C ATOM 0 HA PRO A 533 9.492 -0.172 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.070 1.421 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.942 1.624 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.617 3.212 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.071 3.788 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.714 3.553 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.253 3.316 -3.647 1.00 0.00 H new ATOM 946 N ASN A 534 8.576 -0.571 0.019 1.00 0.00 N ATOM 947 CA ASN A 534 7.762 -1.192 1.057 1.00 0.00 C ATOM 948 C ASN A 534 7.173 -0.137 1.990 1.00 0.00 C ATOM 949 O ASN A 534 5.964 -0.101 2.219 1.00 0.00 O ATOM 950 CB ASN A 534 8.598 -2.190 1.862 1.00 0.00 C ATOM 951 CG ASN A 534 9.727 -1.520 2.620 1.00 0.00 C ATOM 952 OD1 ASN A 534 10.657 -0.980 2.021 1.00 0.00 O ATOM 953 ND2 ASN A 534 9.650 -1.552 3.946 1.00 0.00 N ATOM 0 H ASN A 534 9.582 -0.683 0.149 1.00 0.00 H new ATOM 0 HA ASN A 534 6.942 -1.722 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 534 7.953 -2.715 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 534 9.012 -2.940 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 534 10.381 -1.118 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 534 8.860 -2.011 4.400 1.00 0.00 H new ATOM 960 N HIS A 535 8.037 0.721 2.524 1.00 0.00 N ATOM 961 CA HIS A 535 7.603 1.778 3.431 1.00 0.00 C ATOM 962 C HIS A 535 6.405 2.528 2.856 1.00 0.00 C ATOM 963 O HIS A 535 5.390 2.705 3.530 1.00 0.00 O ATOM 964 CB HIS A 535 8.749 2.753 3.698 1.00 0.00 C ATOM 965 CG HIS A 535 9.483 3.168 2.459 1.00 0.00 C ATOM 966 ND1 HIS A 535 9.204 4.332 1.775 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.491 2.568 1.784 1.00 0.00 C ATOM 968 CE1 HIS A 535 10.008 4.429 0.731 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.799 3.371 0.714 1.00 0.00 N ATOM 0 H HIS A 535 9.041 0.705 2.344 1.00 0.00 H new ATOM 0 HA HIS A 535 7.304 1.316 4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.352 3.641 4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.453 2.292 4.391 1.00 0.00 H new ATOM 0 HD1 HIS A 535 8.489 5.012 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 535 10.965 1.632 2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 535 10.017 5.236 0.013 1.00 0.00 H new ATOM 977 N MET A 536 6.530 2.966 1.608 1.00 0.00 N ATOM 978 CA MET A 536 5.457 3.697 0.943 1.00 0.00 C ATOM 979 C MET A 536 4.221 2.819 0.781 1.00 0.00 C ATOM 980 O MET A 536 3.151 3.136 1.299 1.00 0.00 O ATOM 981 CB MET A 536 5.924 4.199 -0.424 1.00 0.00 C ATOM 982 CG MET A 536 5.249 5.489 -0.861 1.00 0.00 C ATOM 983 SD MET A 536 5.710 6.897 0.167 1.00 0.00 S ATOM 984 CE MET A 536 7.317 7.300 -0.514 1.00 0.00 C ATOM 0 H MET A 536 7.363 2.828 1.036 1.00 0.00 H new ATOM 0 HA MET A 536 5.194 4.553 1.565 1.00 0.00 H new ATOM 0 HB2 MET A 536 7.002 4.354 -0.396 1.00 0.00 H new ATOM 0 HB3 MET A 536 5.733 3.428 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 536 5.512 5.699 -1.898 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.167 5.358 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 536 8.018 7.495 0.298 1.00 0.00 H new ATOM 0 HE2 MET A 536 7.679 6.464 -1.112 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.234 8.187 -1.143 1.00 0.00 H new ATOM 994 N MET A 537 4.376 1.714 0.058 1.00 0.00 N ATOM 995 CA MET A 537 3.271 0.790 -0.171 1.00 0.00 C ATOM 996 C MET A 537 2.505 0.527 1.122 1.00 0.00 C ATOM 997 O MET A 537 1.279 0.407 1.115 1.00 0.00 O ATOM 998 CB MET A 537 3.792 -0.528 -0.746 1.00 0.00 C ATOM 999 CG MET A 537 2.790 -1.238 -1.643 1.00 0.00 C ATOM 1000 SD MET A 537 3.584 -2.218 -2.931 1.00 0.00 S ATOM 1001 CE MET A 537 4.264 -3.563 -1.963 1.00 0.00 C ATOM 0 H MET A 537 5.255 1.437 -0.379 1.00 0.00 H new ATOM 0 HA MET A 537 2.590 1.247 -0.889 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.701 -0.333 -1.314 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.065 -1.190 0.075 1.00 0.00 H new ATOM 0 HG2 MET A 537 2.160 -1.887 -1.035 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.135 -0.500 -2.105 1.00 0.00 H new ATOM 0 HE1 MET A 537 4.973 -4.126 -2.570 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.774 -3.160 -1.088 1.00 0.00 H new ATOM 0 HE3 MET A 537 3.459 -4.223 -1.641 1.00 0.00 H new ATOM 1011 N LEU A 538 3.234 0.439 2.228 1.00 0.00 N ATOM 1012 CA LEU A 538 2.623 0.189 3.529 1.00 0.00 C ATOM 1013 C LEU A 538 1.791 1.387 3.979 1.00 0.00 C ATOM 1014 O LEU A 538 0.647 1.236 4.408 1.00 0.00 O ATOM 1015 CB LEU A 538 3.701 -0.117 4.571 1.00 0.00 C ATOM 1016 CG LEU A 538 4.295 -1.525 4.527 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.539 -1.607 5.398 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.264 -2.553 4.969 1.00 0.00 C ATOM 0 H LEU A 538 4.249 0.537 2.251 1.00 0.00 H new ATOM 0 HA LEU A 538 1.963 -0.674 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.511 0.602 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.277 0.046 5.562 1.00 0.00 H new ATOM 0 HG LEU A 538 4.581 -1.746 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.948 -2.616 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.284 -0.898 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.278 -1.366 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.704 -3.549 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.947 -2.335 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.401 -2.512 4.304 1.00 0.00 H new ATOM 1030 N LYS A 539 2.373 2.577 3.875 1.00 0.00 N ATOM 1031 CA LYS A 539 1.686 3.802 4.267 1.00 0.00 C ATOM 1032 C LYS A 539 0.296 3.869 3.644 1.00 0.00 C ATOM 1033 O LYS A 539 -0.683 4.184 4.321 1.00 0.00 O ATOM 1034 CB LYS A 539 2.504 5.026 3.849 1.00 0.00 C ATOM 1035 CG LYS A 539 2.178 6.277 4.646 1.00 0.00 C ATOM 1036 CD LYS A 539 3.074 6.410 5.866 1.00 0.00 C ATOM 1037 CE LYS A 539 2.393 7.199 6.974 1.00 0.00 C ATOM 1038 NZ LYS A 539 2.977 6.895 8.310 1.00 0.00 N ATOM 0 H LYS A 539 3.319 2.719 3.522 1.00 0.00 H new ATOM 0 HA LYS A 539 1.579 3.798 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.564 4.800 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.331 5.224 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 539 2.294 7.155 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.135 6.247 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 539 3.339 5.419 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 539 4.003 6.905 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 539 2.487 8.266 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 539 1.328 6.968 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 2.486 7.452 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 2.865 5.882 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 3.988 7.139 8.311 1.00 0.00 H new ATOM 1052 N ILE A 540 0.217 3.570 2.351 1.00 0.00 N ATOM 1053 CA ILE A 540 -1.055 3.594 1.639 1.00 0.00 C ATOM 1054 C ILE A 540 -1.933 2.414 2.041 1.00 0.00 C ATOM 1055 O ILE A 540 -3.086 2.591 2.433 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.845 3.566 0.113 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.144 4.655 -0.308 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -2.174 3.743 -0.607 1.00 0.00 C ATOM 1059 CD1 ILE A 540 0.932 4.307 -1.551 1.00 0.00 C ATOM 0 H ILE A 540 1.018 3.309 1.776 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.553 4.524 1.913 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.429 2.597 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.401 5.583 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 540 0.838 4.841 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -2.010 3.721 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.850 2.935 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.615 4.699 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.613 5.124 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.505 3.397 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.247 4.149 -2.384 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.379 1.210 1.944 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.110 0.001 2.302 1.00 0.00 C ATOM 1073 C ALA A 541 -2.700 0.111 3.704 1.00 0.00 C ATOM 1074 O ALA A 541 -3.773 -0.425 3.978 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.200 -1.214 2.204 1.00 0.00 C ATOM 0 H ALA A 541 -0.426 1.046 1.620 1.00 0.00 H new ATOM 0 HA ALA A 541 -2.934 -0.118 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -1.759 -2.110 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -0.831 -1.311 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.357 -1.093 2.885 1.00 0.00 H new ATOM 1081 N GLU A 542 -1.992 0.810 4.586 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.447 0.988 5.960 1.00 0.00 C ATOM 1083 C GLU A 542 -3.429 2.152 6.061 1.00 0.00 C ATOM 1084 O GLU A 542 -4.467 2.045 6.713 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.255 1.230 6.888 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.261 0.080 6.914 1.00 0.00 C ATOM 1087 CD GLU A 542 1.043 0.452 7.594 1.00 0.00 C ATOM 1088 OE1 GLU A 542 1.859 1.158 6.966 1.00 0.00 O ATOM 1089 OE2 GLU A 542 1.245 0.036 8.754 1.00 0.00 O ATOM 0 H GLU A 542 -1.102 1.262 4.374 1.00 0.00 H new ATOM 0 HA GLU A 542 -2.958 0.076 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.740 2.138 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.622 1.405 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -0.707 -0.769 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.055 -0.241 5.893 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.091 3.262 5.413 1.00 0.00 N ATOM 1097 CA GLU A 543 -3.942 4.446 5.431 1.00 0.00 C ATOM 1098 C GLU A 543 -5.335 4.122 4.899 1.00 0.00 C ATOM 1099 O GLU A 543 -6.341 4.391 5.558 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.314 5.566 4.599 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.209 6.316 5.324 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.745 7.369 6.274 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -3.109 7.010 7.413 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.800 8.552 5.878 1.00 0.00 O ATOM 0 H GLU A 543 -2.234 3.366 4.869 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.035 4.780 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.911 5.142 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.092 6.272 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -1.598 5.606 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.556 6.791 4.592 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.387 3.546 3.704 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.656 3.186 3.082 1.00 0.00 C ATOM 1113 C LEU A 544 -7.552 4.410 2.926 1.00 0.00 C ATOM 1114 O LEU A 544 -8.717 4.413 3.326 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.370 2.120 3.914 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.658 0.772 4.032 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.587 -0.271 4.634 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.151 0.316 2.672 1.00 0.00 C ATOM 0 H LEU A 544 -4.564 3.318 3.146 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.446 2.784 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.525 2.515 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.356 1.951 3.482 1.00 0.00 H new ATOM 0 HG LEU A 544 -5.801 0.892 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.063 -1.224 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -7.901 0.051 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.463 -0.389 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -5.647 -0.645 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -6.992 0.213 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.450 1.053 2.279 1.00 0.00 H new ATOM 1130 N PRO A 545 -7.000 5.476 2.327 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.732 6.726 2.102 1.00 0.00 C ATOM 1132 C PRO A 545 -8.823 6.576 1.046 1.00 0.00 C ATOM 1133 O PRO A 545 -8.605 5.972 -0.004 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.647 7.690 1.617 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.600 6.814 1.021 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.617 5.543 1.825 1.00 0.00 C ATOM 0 HA PRO A 545 -8.250 7.063 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -7.041 8.392 0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -6.246 8.282 2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.810 6.614 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.621 7.291 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.369 4.676 1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.894 5.574 2.640 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.996 7.130 1.332 1.00 0.00 N ATOM 1145 CA LYS A 546 -11.121 7.060 0.407 1.00 0.00 C ATOM 1146 C LYS A 546 -10.836 7.864 -0.858 1.00 0.00 C ATOM 1147 O LYS A 546 -11.134 7.419 -1.966 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.394 7.580 1.079 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.354 9.067 1.386 1.00 0.00 C ATOM 1150 CD LYS A 546 -13.504 9.481 2.289 1.00 0.00 C ATOM 1151 CE LYS A 546 -14.728 9.889 1.482 1.00 0.00 C ATOM 1152 NZ LYS A 546 -14.509 11.168 0.752 1.00 0.00 N ATOM 0 H LYS A 546 -10.193 7.633 2.197 1.00 0.00 H new ATOM 0 HA LYS A 546 -11.265 6.016 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.247 7.374 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.556 7.030 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.407 9.315 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -12.399 9.633 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -13.763 8.655 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -13.191 10.312 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -14.972 9.101 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -15.584 9.993 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -15.427 11.603 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -13.954 11.816 1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -13.993 10.980 -0.131 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.257 9.047 -0.684 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.932 9.912 -1.812 1.00 0.00 C ATOM 1168 C GLU A 547 -8.515 9.645 -2.311 1.00 0.00 C ATOM 1169 O GLU A 547 -7.678 9.078 -1.608 1.00 0.00 O ATOM 1170 CB GLU A 547 -10.076 11.382 -1.416 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.472 11.940 -1.642 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.657 12.497 -3.040 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.862 11.696 -3.976 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -11.597 13.734 -3.199 1.00 0.00 O ATOM 0 H GLU A 547 -10.003 9.429 0.227 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.631 9.691 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.816 11.493 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.360 11.975 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -12.206 11.154 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -11.668 12.726 -0.913 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.237 10.062 -3.556 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.923 9.879 -4.177 1.00 0.00 C ATOM 1183 C PRO A 548 -5.853 10.758 -3.539 1.00 0.00 C ATOM 1184 O PRO A 548 -4.669 10.637 -3.853 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.157 10.293 -5.632 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.315 11.229 -5.577 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.186 10.744 -4.451 1.00 0.00 C ATOM 0 HA PRO A 548 -6.557 8.858 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.276 10.777 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.376 9.429 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -7.982 12.252 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.861 11.230 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.690 11.570 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.962 10.066 -4.806 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.277 11.643 -2.642 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.354 12.542 -1.961 1.00 0.00 C ATOM 1197 C GLN A 549 -4.501 11.783 -0.950 1.00 0.00 C ATOM 1198 O GLN A 549 -3.277 11.903 -0.941 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.125 13.661 -1.257 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.345 14.962 -1.150 1.00 0.00 C ATOM 1201 CD GLN A 549 -6.247 16.178 -1.081 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -7.285 16.234 -1.741 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.855 17.162 -0.279 1.00 0.00 N ATOM 0 H GLN A 549 -7.254 11.756 -2.370 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.694 12.980 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -7.053 13.847 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.400 13.328 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.714 14.931 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.681 15.055 -2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -4.987 17.074 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.422 18.006 -0.192 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.157 11.001 -0.097 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.443 10.234 0.906 1.00 0.00 C ATOM 1214 C GLY A 550 -3.270 9.470 0.326 1.00 0.00 C ATOM 1215 O GLY A 550 -2.261 9.262 1.001 1.00 0.00 O ATOM 0 H GLY A 550 -6.170 10.886 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.085 10.906 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.130 9.533 1.380 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.402 9.049 -0.928 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.344 8.303 -1.598 1.00 0.00 C ATOM 1221 C ILE A 551 -1.179 9.214 -1.968 1.00 0.00 C ATOM 1222 O ILE A 551 -0.029 8.777 -2.020 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.864 7.610 -2.871 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -4.033 6.683 -2.532 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.744 6.834 -3.547 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.390 7.320 -2.738 1.00 0.00 C ATOM 0 H ILE A 551 -4.231 9.212 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.999 7.544 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.219 8.373 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.965 5.786 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.944 6.365 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.127 6.350 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.940 7.518 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.361 6.077 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.171 6.605 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.479 8.201 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.500 7.613 -3.782 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.484 10.482 -2.224 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.461 11.455 -2.587 1.00 0.00 C ATOM 1240 C ILE A 552 0.319 11.916 -1.360 1.00 0.00 C ATOM 1241 O ILE A 552 1.514 12.195 -1.441 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.075 12.683 -3.283 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.862 12.254 -4.523 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.014 13.678 -3.658 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.480 13.410 -5.277 1.00 0.00 C ATOM 0 H ILE A 552 -2.431 10.859 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 552 0.218 10.957 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.762 13.169 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.199 11.707 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.650 11.564 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.435 14.541 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.535 14.003 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.723 13.203 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -3.022 13.031 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.169 13.944 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.695 14.089 -5.609 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.367 11.993 -0.224 1.00 0.00 N ATOM 1258 CA ALA A 553 0.261 12.416 1.021 1.00 0.00 C ATOM 1259 C ALA A 553 1.237 11.361 1.530 1.00 0.00 C ATOM 1260 O ALA A 553 2.359 11.679 1.925 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.797 12.710 2.073 1.00 0.00 C ATOM 0 H ALA A 553 -1.358 11.768 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 553 0.824 13.328 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.313 13.025 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.452 13.505 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.385 11.811 2.259 1.00 0.00 H new ATOM 1267 N CYS A 554 0.803 10.106 1.517 1.00 0.00 N ATOM 1268 CA CYS A 554 1.639 9.003 1.980 1.00 0.00 C ATOM 1269 C CYS A 554 3.088 9.201 1.548 1.00 0.00 C ATOM 1270 O CYS A 554 4.015 8.763 2.230 1.00 0.00 O ATOM 1271 CB CYS A 554 1.110 7.674 1.439 1.00 0.00 C ATOM 1272 SG CYS A 554 1.645 7.297 -0.247 1.00 0.00 S ATOM 0 H CYS A 554 -0.122 9.826 1.191 1.00 0.00 H new ATOM 0 HA CYS A 554 1.603 8.984 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.434 6.870 2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.021 7.690 1.468 1.00 0.00 H new ATOM 0 HG CYS A 554 0.732 7.683 -1.088 1.00 0.00 H new ATOM 1278 N CYS A 555 3.276 9.863 0.411 1.00 0.00 N ATOM 1279 CA CYS A 555 4.613 10.117 -0.114 1.00 0.00 C ATOM 1280 C CYS A 555 5.024 11.566 0.125 1.00 0.00 C ATOM 1281 O CYS A 555 4.177 12.448 0.261 1.00 0.00 O ATOM 1282 CB CYS A 555 4.666 9.799 -1.608 1.00 0.00 C ATOM 1283 SG CYS A 555 3.137 10.175 -2.498 1.00 0.00 S ATOM 0 H CYS A 555 2.520 10.233 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 555 5.313 9.468 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.484 10.361 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.897 8.741 -1.735 1.00 0.00 H new ATOM 0 HG CYS A 555 2.449 11.051 -1.828 1.00 0.00 H new ATOM 1289 N ASN A 556 6.331 11.804 0.176 1.00 0.00 N ATOM 1290 CA ASN A 556 6.855 13.147 0.401 1.00 0.00 C ATOM 1291 C ASN A 556 8.373 13.170 0.252 1.00 0.00 C ATOM 1292 O ASN A 556 9.114 12.691 1.111 1.00 0.00 O ATOM 1293 CB ASN A 556 6.460 13.644 1.793 1.00 0.00 C ATOM 1294 CG ASN A 556 7.240 14.877 2.209 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.884 14.893 3.258 1.00 0.00 O ATOM 1296 ND2 ASN A 556 7.185 15.918 1.386 1.00 0.00 N ATOM 0 H ASN A 556 7.046 11.085 0.065 1.00 0.00 H new ATOM 0 HA ASN A 556 6.424 13.809 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 556 5.394 13.870 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 556 6.626 12.849 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 556 7.689 16.775 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 556 6.638 15.860 0.527 1.00 0.00 H new ATOM 1303 N PRO A 557 8.849 13.741 -0.864 1.00 0.00 N ATOM 1304 CA PRO A 557 7.978 14.314 -1.894 1.00 0.00 C ATOM 1305 C PRO A 557 7.200 13.246 -2.655 1.00 0.00 C ATOM 1306 O PRO A 557 7.364 12.051 -2.410 1.00 0.00 O ATOM 1307 CB PRO A 557 8.956 15.031 -2.828 1.00 0.00 C ATOM 1308 CG PRO A 557 10.249 14.315 -2.644 1.00 0.00 C ATOM 1309 CD PRO A 557 10.276 13.871 -1.207 1.00 0.00 C ATOM 0 HA PRO A 557 7.218 14.969 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.621 14.983 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.048 16.086 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.322 13.461 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.092 14.969 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.806 12.926 -1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.778 14.600 -0.570 1.00 0.00 H new ATOM 1317 N VAL A 558 6.351 13.685 -3.580 1.00 0.00 N ATOM 1318 CA VAL A 558 5.549 12.766 -4.378 1.00 0.00 C ATOM 1319 C VAL A 558 6.155 12.568 -5.763 1.00 0.00 C ATOM 1320 O VAL A 558 6.380 13.519 -6.512 1.00 0.00 O ATOM 1321 CB VAL A 558 4.102 13.272 -4.531 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.295 12.325 -5.406 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.449 13.437 -3.167 1.00 0.00 C ATOM 0 H VAL A 558 6.202 14.671 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 558 5.539 11.813 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 558 4.126 14.247 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.276 12.699 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.753 12.262 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.277 11.335 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.427 13.795 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.436 12.477 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 558 4.016 14.158 -2.577 1.00 0.00 H new ATOM 1333 N PRO A 559 6.426 11.302 -6.114 1.00 0.00 N ATOM 1334 CA PRO A 559 7.009 10.948 -7.412 1.00 0.00 C ATOM 1335 C PRO A 559 6.033 11.162 -8.564 1.00 0.00 C ATOM 1336 O PRO A 559 4.824 11.289 -8.369 1.00 0.00 O ATOM 1337 CB PRO A 559 7.339 9.461 -7.259 1.00 0.00 C ATOM 1338 CG PRO A 559 6.394 8.969 -6.218 1.00 0.00 C ATOM 1339 CD PRO A 559 6.184 10.119 -5.272 1.00 0.00 C ATOM 0 HA PRO A 559 7.873 11.568 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.205 8.927 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.375 9.315 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.451 8.654 -6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.804 8.104 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 559 5.176 10.120 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.874 10.077 -4.429 1.00 0.00 H new ATOM 1347 N PRO A 560 6.567 11.203 -9.793 1.00 0.00 N ATOM 1348 CA PRO A 560 5.760 11.400 -11.001 1.00 0.00 C ATOM 1349 C PRO A 560 4.883 10.193 -11.315 1.00 0.00 C ATOM 1350 O PRO A 560 4.108 10.208 -12.274 1.00 0.00 O ATOM 1351 CB PRO A 560 6.807 11.600 -12.099 1.00 0.00 C ATOM 1352 CG PRO A 560 8.023 10.902 -11.595 1.00 0.00 C ATOM 1353 CD PRO A 560 8.000 11.058 -10.100 1.00 0.00 C ATOM 0 HA PRO A 560 5.067 12.235 -10.897 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.472 11.178 -13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.001 12.658 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.014 9.849 -11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 560 8.927 11.338 -12.019 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.432 10.192 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.570 11.930 -9.778 1.00 0.00 H new ATOM 1361 N LEU A 561 5.007 9.149 -10.503 1.00 0.00 N ATOM 1362 CA LEU A 561 4.225 7.933 -10.695 1.00 0.00 C ATOM 1363 C LEU A 561 2.945 7.973 -9.865 1.00 0.00 C ATOM 1364 O LEU A 561 1.847 8.108 -10.404 1.00 0.00 O ATOM 1365 CB LEU A 561 5.054 6.705 -10.316 1.00 0.00 C ATOM 1366 CG LEU A 561 6.222 6.371 -11.245 1.00 0.00 C ATOM 1367 CD1 LEU A 561 6.977 5.153 -10.736 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.725 6.138 -12.664 1.00 0.00 C ATOM 0 H LEU A 561 5.642 9.120 -9.705 1.00 0.00 H new ATOM 0 HA LEU A 561 3.952 7.868 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.447 6.853 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.390 5.842 -10.275 1.00 0.00 H new ATOM 0 HG LEU A 561 6.907 7.219 -11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.805 4.930 -11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.366 5.357 -9.738 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.302 4.298 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.570 5.902 -13.311 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.019 5.307 -12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.230 7.038 -13.028 1.00 0.00 H new ATOM 1380 N VAL A 562 3.096 7.856 -8.549 1.00 0.00 N ATOM 1381 CA VAL A 562 1.953 7.882 -7.644 1.00 0.00 C ATOM 1382 C VAL A 562 0.936 8.934 -8.072 1.00 0.00 C ATOM 1383 O VAL A 562 -0.272 8.716 -7.986 1.00 0.00 O ATOM 1384 CB VAL A 562 2.391 8.166 -6.195 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.179 8.292 -5.285 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.330 7.077 -5.699 1.00 0.00 C ATOM 0 H VAL A 562 3.998 7.742 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 562 1.491 6.896 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 562 2.929 9.114 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.509 8.493 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.548 9.111 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.610 7.363 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.629 7.294 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.820 6.114 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.214 7.041 -6.335 1.00 0.00 H new ATOM 1396 N ARG A 563 1.434 10.077 -8.534 1.00 0.00 N ATOM 1397 CA ARG A 563 0.570 11.164 -8.976 1.00 0.00 C ATOM 1398 C ARG A 563 -0.098 10.823 -10.305 1.00 0.00 C ATOM 1399 O ARG A 563 -1.302 11.017 -10.473 1.00 0.00 O ATOM 1400 CB ARG A 563 1.373 12.459 -9.114 1.00 0.00 C ATOM 1401 CG ARG A 563 0.507 13.705 -9.205 1.00 0.00 C ATOM 1402 CD ARG A 563 -0.146 14.029 -7.871 1.00 0.00 C ATOM 1403 NE ARG A 563 -1.229 14.998 -8.013 1.00 0.00 N ATOM 1404 CZ ARG A 563 -1.035 16.309 -8.106 1.00 0.00 C ATOM 1405 NH1 ARG A 563 0.194 16.804 -8.074 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -2.072 17.127 -8.233 1.00 0.00 N ATOM 0 H ARG A 563 2.432 10.273 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.207 11.305 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.043 12.554 -8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 563 1.999 12.396 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.116 14.550 -9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.263 13.559 -9.962 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.535 13.113 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 563 0.605 14.422 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 563 -2.187 14.649 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 563 0.994 16.178 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 563 0.340 17.811 -8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -3.019 16.749 -8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -1.922 18.133 -8.304 1.00 0.00 H new ATOM 1420 N GLN A 564 0.692 10.314 -11.244 1.00 0.00 N ATOM 1421 CA GLN A 564 0.178 9.948 -12.559 1.00 0.00 C ATOM 1422 C GLN A 564 -0.865 8.841 -12.445 1.00 0.00 C ATOM 1423 O GLN A 564 -2.000 8.996 -12.896 1.00 0.00 O ATOM 1424 CB GLN A 564 1.321 9.497 -13.470 1.00 0.00 C ATOM 1425 CG GLN A 564 1.958 10.632 -14.254 1.00 0.00 C ATOM 1426 CD GLN A 564 2.766 10.142 -15.439 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.209 9.691 -16.441 1.00 0.00 O ATOM 1428 NE2 GLN A 564 4.086 10.228 -15.332 1.00 0.00 N ATOM 0 H GLN A 564 1.690 10.145 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.297 10.827 -12.994 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.086 9.010 -12.865 1.00 0.00 H new ATOM 0 HB3 GLN A 564 0.944 8.750 -14.169 1.00 0.00 H new ATOM 0 HG2 GLN A 564 1.178 11.308 -14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 564 2.604 11.208 -13.592 1.00 0.00 H new ATOM 0 HE21 GLN A 564 4.505 10.608 -14.483 1.00 0.00 H new ATOM 0 HE22 GLN A 564 4.681 9.914 -16.098 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.472 7.724 -11.841 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.373 6.591 -11.670 1.00 0.00 C ATOM 1439 C GLN A 565 -2.236 6.764 -10.425 1.00 0.00 C ATOM 1440 O GLN A 565 -2.868 5.816 -9.958 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.577 5.288 -11.575 1.00 0.00 C ATOM 1442 CG GLN A 565 0.563 5.198 -12.578 1.00 0.00 C ATOM 1443 CD GLN A 565 1.024 3.772 -12.810 1.00 0.00 C ATOM 1444 OE1 GLN A 565 1.907 3.272 -12.113 1.00 0.00 O ATOM 1445 NE2 GLN A 565 0.427 3.110 -13.794 1.00 0.00 N ATOM 0 H GLN A 565 0.464 7.580 -11.462 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.027 6.546 -12.540 1.00 0.00 H new ATOM 0 HB2 GLN A 565 -0.172 5.192 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.253 4.447 -11.729 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.243 5.631 -13.526 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.403 5.794 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN A 565 -0.300 3.564 -14.346 1.00 0.00 H new ATOM 0 HE22 GLN A 565 0.696 2.147 -13.997 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.258 7.981 -9.891 1.00 0.00 N ATOM 1455 CA ILE A 566 -3.044 8.279 -8.700 1.00 0.00 C ATOM 1456 C ILE A 566 -4.461 7.729 -8.825 1.00 0.00 C ATOM 1457 O ILE A 566 -5.069 7.323 -7.837 1.00 0.00 O ATOM 1458 CB ILE A 566 -3.114 9.794 -8.436 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.639 10.064 -7.024 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.996 10.472 -9.474 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -2.975 9.218 -5.961 1.00 0.00 C ATOM 0 H ILE A 566 -1.740 8.777 -10.265 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.542 7.796 -7.862 1.00 0.00 H new ATOM 0 HB ILE A 566 -2.109 10.209 -8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.490 11.117 -6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.713 9.882 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -4.036 11.543 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.583 10.304 -10.468 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -5.002 10.056 -9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.396 9.462 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.146 8.163 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.903 9.418 -5.954 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.980 7.719 -10.049 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.325 7.219 -10.305 1.00 0.00 C ATOM 1475 C ASN A 567 -6.420 5.729 -9.991 1.00 0.00 C ATOM 1476 O ASN A 567 -7.298 5.296 -9.245 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.718 7.470 -11.762 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.432 8.894 -12.200 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -5.275 9.294 -12.333 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -7.488 9.667 -12.426 1.00 0.00 N ATOM 0 H ASN A 567 -4.489 8.052 -10.879 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.014 7.755 -9.653 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.175 6.778 -12.406 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.780 7.259 -11.891 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -7.358 10.634 -12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -8.429 9.293 -12.303 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.509 4.949 -10.566 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.491 3.508 -10.347 1.00 0.00 C ATOM 1489 C GLU A 568 -5.350 3.184 -8.863 1.00 0.00 C ATOM 1490 O GLU A 568 -6.115 2.391 -8.314 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.344 2.865 -11.131 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.491 1.363 -11.302 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.567 0.992 -12.304 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.709 1.473 -12.155 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.265 0.219 -13.239 1.00 0.00 O ATOM 0 H GLU A 568 -4.775 5.291 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.438 3.101 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.282 3.330 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.404 3.074 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.539 0.943 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.727 0.913 -10.338 1.00 0.00 H new ATOM 1502 N MET A 569 -4.366 3.804 -8.219 1.00 0.00 N ATOM 1503 CA MET A 569 -4.125 3.583 -6.798 1.00 0.00 C ATOM 1504 C MET A 569 -5.404 3.786 -5.991 1.00 0.00 C ATOM 1505 O MET A 569 -5.826 2.901 -5.246 1.00 0.00 O ATOM 1506 CB MET A 569 -3.033 4.527 -6.291 1.00 0.00 C ATOM 1507 CG MET A 569 -1.761 4.487 -7.123 1.00 0.00 C ATOM 1508 SD MET A 569 -0.397 5.377 -6.348 1.00 0.00 S ATOM 1509 CE MET A 569 0.404 4.051 -5.449 1.00 0.00 C ATOM 0 H MET A 569 -3.723 4.463 -8.659 1.00 0.00 H new ATOM 0 HA MET A 569 -3.794 2.553 -6.667 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.420 5.546 -6.283 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.791 4.269 -5.260 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.468 3.449 -7.283 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.960 4.917 -8.105 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.385 4.383 -5.109 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.205 3.775 -4.588 1.00 0.00 H new ATOM 0 HE3 MET A 569 0.520 3.187 -6.103 1.00 0.00 H new ATOM 1519 N HIS A 570 -6.015 4.956 -6.145 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.247 5.274 -5.430 1.00 0.00 C ATOM 1521 C HIS A 570 -8.258 4.139 -5.557 1.00 0.00 C ATOM 1522 O HIS A 570 -8.827 3.686 -4.563 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.851 6.573 -5.966 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.246 6.827 -5.485 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.146 7.616 -6.170 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.895 6.391 -4.380 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.288 7.655 -5.507 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.162 6.919 -4.417 1.00 0.00 N ATOM 0 H HIS A 570 -5.678 5.699 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 570 -7.003 5.403 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.216 7.408 -5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.851 6.542 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.491 5.748 -3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.174 8.196 -5.805 1.00 0.00 H new ATOM 0 HE2 HIS A 570 -11.888 6.768 -3.717 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.477 3.684 -6.786 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.421 2.601 -7.044 1.00 0.00 C ATOM 1538 C LEU A 571 -9.116 1.393 -6.164 1.00 0.00 C ATOM 1539 O LEU A 571 -10.014 0.817 -5.548 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.374 2.198 -8.518 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.898 3.233 -9.514 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.583 2.809 -10.940 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.395 3.436 -9.334 1.00 0.00 C ATOM 0 H LEU A 571 -8.014 4.048 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.422 2.959 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.341 1.964 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.949 1.281 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.397 4.182 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -9.964 3.558 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.504 2.716 -11.062 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.056 1.849 -11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.751 4.176 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.913 2.491 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.596 3.786 -8.322 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.844 1.013 -6.109 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.420 -0.126 -5.302 1.00 0.00 C ATOM 1557 C LEU A 572 -7.849 0.046 -3.849 1.00 0.00 C ATOM 1558 O LEU A 572 -8.345 -0.892 -3.223 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.901 -0.294 -5.381 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.309 -0.389 -6.788 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.789 -0.390 -6.727 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.817 -1.635 -7.498 1.00 0.00 C ATOM 0 H LEU A 572 -7.089 1.477 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.900 -1.020 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.435 0.548 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.626 -1.194 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.630 0.484 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.384 -0.458 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.443 0.532 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.449 -1.244 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.385 -1.686 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.527 -2.520 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.904 -1.593 -7.574 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.657 1.249 -3.319 1.00 0.00 N ATOM 1575 CA ILE A 573 -8.027 1.544 -1.940 1.00 0.00 C ATOM 1576 C ILE A 573 -9.514 1.297 -1.706 1.00 0.00 C ATOM 1577 O ILE A 573 -9.899 0.660 -0.726 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.695 3.001 -1.567 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -6.234 3.314 -1.895 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.977 3.247 -0.093 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.257 2.312 -1.319 1.00 0.00 C ATOM 0 H ILE A 573 -7.247 2.035 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.445 0.874 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 573 -8.330 3.665 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -6.112 3.347 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.990 4.306 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.738 4.281 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -9.031 3.059 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.365 2.577 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.241 2.597 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.351 2.295 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.475 1.321 -1.717 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.342 1.804 -2.612 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.787 1.637 -2.504 1.00 0.00 C ATOM 1595 C GLN A 574 -12.168 0.161 -2.533 1.00 0.00 C ATOM 1596 O GLN A 574 -13.125 -0.255 -1.881 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.494 2.381 -3.639 1.00 0.00 C ATOM 1598 CG GLN A 574 -12.162 3.864 -3.694 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.932 4.673 -2.669 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.456 4.667 -1.430 1.00 0.00 O flip ATOM 1601 NE2 GLN A 574 -13.945 5.296 -2.988 1.00 0.00 N flip ATOM 0 H GLN A 574 -10.038 2.334 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 574 -12.106 2.057 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.222 1.921 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.571 2.262 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -11.093 3.999 -3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.382 4.245 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -14.275 5.273 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -14.454 5.835 -2.288 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.414 -0.625 -3.294 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.674 -2.055 -3.408 1.00 0.00 C ATOM 1612 C GLN A 575 -11.417 -2.763 -2.082 1.00 0.00 C ATOM 1613 O GLN A 575 -12.232 -3.564 -1.626 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.801 -2.668 -4.505 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.186 -2.225 -5.907 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.523 -3.060 -6.985 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -9.723 -2.554 -7.774 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -10.851 -4.346 -7.025 1.00 0.00 N ATOM 0 H GLN A 575 -10.618 -0.296 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.723 -2.188 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.760 -2.401 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.866 -3.754 -4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.268 -2.287 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.911 -1.179 -6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -11.518 -4.723 -6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -10.436 -4.957 -7.729 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.277 -2.462 -1.468 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.913 -3.069 -0.193 1.00 0.00 C ATOM 1629 C ALA A 576 -10.940 -2.738 0.885 1.00 0.00 C ATOM 1630 O ALA A 576 -11.228 -3.561 1.754 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.528 -2.607 0.235 1.00 0.00 C ATOM 0 H ALA A 576 -9.590 -1.802 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 576 -9.898 -4.151 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.269 -3.068 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.798 -2.899 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.524 -1.522 0.343 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.488 -1.529 0.823 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.481 -1.089 1.795 1.00 0.00 C ATOM 1639 C ARG A 577 -13.840 -1.721 1.508 1.00 0.00 C ATOM 1640 O ARG A 577 -14.548 -2.136 2.425 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.602 0.436 1.779 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.336 1.152 2.220 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.566 2.647 2.375 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.303 2.963 3.595 1.00 0.00 N ATOM 1645 CZ ARG A 577 -13.027 4.066 3.751 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -13.111 4.953 2.769 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -13.670 4.284 4.892 1.00 0.00 N ATOM 0 H ARG A 577 -11.261 -0.836 0.109 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.152 -1.410 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.861 0.761 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.423 0.734 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -10.992 0.736 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.545 0.978 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.606 3.162 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -12.117 3.021 1.512 1.00 0.00 H new ATOM 0 HE ARG A 577 -12.260 2.301 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -12.619 4.790 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -13.668 5.799 2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.608 3.604 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -14.225 5.131 5.011 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.196 -1.790 0.229 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.471 -2.370 -0.178 1.00 0.00 C ATOM 1663 C GLU A 578 -15.862 -3.523 0.742 1.00 0.00 C ATOM 1664 O GLU A 578 -16.957 -3.539 1.304 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.394 -2.861 -1.625 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.696 -1.782 -2.651 1.00 0.00 C ATOM 1667 CD GLU A 578 -16.321 -2.337 -3.916 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -15.565 -2.757 -4.816 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -17.567 -2.352 -4.004 1.00 0.00 O ATOM 0 H GLU A 578 -13.620 -1.452 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.234 -1.595 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.397 -3.259 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -16.096 -3.684 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -16.369 -1.046 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -14.774 -1.259 -2.905 1.00 0.00 H new ATOM 1676 N MET A 579 -14.959 -4.487 0.890 1.00 0.00 N ATOM 1677 CA MET A 579 -15.209 -5.644 1.742 1.00 0.00 C ATOM 1678 C MET A 579 -15.199 -5.247 3.215 1.00 0.00 C ATOM 1679 O MET A 579 -14.412 -4.406 3.650 1.00 0.00 O ATOM 1680 CB MET A 579 -14.161 -6.729 1.486 1.00 0.00 C ATOM 1681 CG MET A 579 -12.739 -6.282 1.787 1.00 0.00 C ATOM 1682 SD MET A 579 -12.258 -6.598 3.495 1.00 0.00 S ATOM 1683 CE MET A 579 -12.648 -8.341 3.640 1.00 0.00 C ATOM 0 H MET A 579 -14.048 -4.490 0.431 1.00 0.00 H new ATOM 0 HA MET A 579 -16.196 -6.038 1.497 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.396 -7.601 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.222 -7.043 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.051 -6.799 1.118 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.646 -5.216 1.579 1.00 0.00 H new ATOM 0 HE1 MET A 579 -13.498 -8.469 4.310 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.897 -8.741 2.657 1.00 0.00 H new ATOM 0 HE3 MET A 579 -11.786 -8.874 4.041 1.00 0.00 H new