USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 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 531 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 577 LYS NZ :NH3+ 142:sc= -0.868 (180deg=-2.29!) USER MOD Set 2.1: A 503 LYS NZ :NH3+ -152:sc= -0.451 (180deg=-2.42!) USER MOD Set 2.2: A 506 SER OG : rot -179:sc= -0.0398 USER MOD Set 2.3: A 518 LYS NZ :NH3+ -154:sc= -0.573 (180deg=-1.94!) USER MOD Set 2.4: A 560 ASN : amide:sc= -1.86 K(o=-2.9,f=-12!) USER MOD Set 3.1: A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 590 SER OG : rot 180:sc= 0 USER MOD Single : A 494 THR OG1 : rot 19:sc= 0.185 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 45:sc= 0.0826 USER MOD Single : A 504 THR OG1 : rot 83:sc= -2.69! USER MOD Single : A 507 LYS NZ :NH3+ -106:sc= -4.94! (180deg=-11.2!) USER MOD Single : A 511 SER OG : rot 90:sc= 1.96 USER MOD Single : A 517 SER OG : rot 169:sc= -7.46! USER MOD Single : A 519 SER OG : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 526 ASN :FLIP amide:sc= -0.032 F(o=-0.67,f=-0.032) USER MOD Single : A 527 ASN :FLIP amide:sc= -1.48 F(o=-4.9!,f=-1.5) USER MOD Single : A 528 ASN :FLIP amide:sc= -2.45! F(o=-4,f=-2.4!) USER MOD Single : A 534 SER OG : rot 156:sc= 0.519! USER MOD Single : A 552 THR OG1 : rot -107:sc= -3.06 USER MOD Single : A 554 THR OG1 : rot 30:sc= -3.78! USER MOD Single : A 557 LYS NZ :NH3+ -138:sc= -0.302 (180deg=-1.53) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 178:sc= -0.274 (180deg=-0.291) USER MOD Single : A 564 THR OG1 : rot -162:sc= -0.598 USER MOD Single : A 565 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.73) USER MOD Single : A 580 LYS NZ :NH3+ -127:sc= -1.65 (180deg=-5.58!) USER MOD Single : A 582 LYS NZ :NH3+ -123:sc= -3.54! (180deg=-7.82!) USER MOD Single : A 583 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 584 LYS NZ :NH3+ -165:sc= -7.57! (180deg=-8.16!) USER MOD Single : A 587 SER OG : rot -73:sc= 0.0661 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -0.759 8.384 0.933 1.00 0.00 N ATOM 524 CA ALA A 491 -1.653 7.835 1.948 1.00 0.00 C ATOM 525 C ALA A 491 -0.868 7.112 3.040 1.00 0.00 C ATOM 526 O ALA A 491 0.007 6.300 2.736 1.00 0.00 O ATOM 527 CB ALA A 491 -2.661 6.898 1.301 1.00 0.00 C ATOM 0 HA ALA A 491 -2.189 8.660 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.324 6.493 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.248 7.447 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.134 6.081 0.808 1.00 0.00 H new ATOM 533 N ARG A 492 -1.210 7.346 4.306 1.00 0.00 N ATOM 534 CA ARG A 492 -0.555 6.642 5.400 1.00 0.00 C ATOM 535 C ARG A 492 -1.576 6.213 6.447 1.00 0.00 C ATOM 536 O ARG A 492 -2.401 7.018 6.881 1.00 0.00 O ATOM 537 CB ARG A 492 0.515 7.529 6.037 1.00 0.00 C ATOM 538 CG ARG A 492 1.877 7.416 5.371 1.00 0.00 C ATOM 539 CD ARG A 492 2.523 6.066 5.642 1.00 0.00 C ATOM 540 NE ARG A 492 3.202 6.035 6.937 1.00 0.00 N ATOM 541 CZ ARG A 492 2.620 5.661 8.076 1.00 0.00 C ATOM 542 NH1 ARG A 492 1.346 5.287 8.093 1.00 0.00 N ATOM 543 NH2 ARG A 492 3.316 5.664 9.204 1.00 0.00 N ATOM 0 H ARG A 492 -1.928 8.010 4.595 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.076 5.749 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 492 0.185 8.567 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.612 7.266 7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.770 7.559 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 492 2.528 8.211 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.761 5.287 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 492 3.239 5.841 4.851 1.00 0.00 H new ATOM 0 HE ARG A 492 4.182 6.317 6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.804 5.284 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 492 0.910 5.002 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 492 4.294 5.952 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 492 2.873 5.378 10.077 1.00 0.00 H new ATOM 557 N VAL A 493 -1.502 4.966 6.874 1.00 0.00 N ATOM 558 CA VAL A 493 -2.406 4.462 7.900 1.00 0.00 C ATOM 559 C VAL A 493 -1.689 3.581 8.924 1.00 0.00 C ATOM 560 O VAL A 493 -0.603 3.066 8.653 1.00 0.00 O ATOM 561 CB VAL A 493 -3.557 3.668 7.288 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.492 4.587 6.516 1.00 0.00 C ATOM 563 CG2 VAL A 493 -3.005 2.551 6.422 1.00 0.00 C ATOM 0 H VAL A 493 -0.828 4.282 6.529 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.799 5.342 8.410 1.00 0.00 H new ATOM 0 HB VAL A 493 -4.148 3.213 8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.306 4.002 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.902 5.339 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -3.939 5.080 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.830 1.986 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.396 2.976 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -2.392 1.887 7.032 1.00 0.00 H new ATOM 573 N THR A 494 -2.329 3.343 10.072 1.00 0.00 N ATOM 574 CA THR A 494 -1.758 2.446 11.074 1.00 0.00 C ATOM 575 C THR A 494 -2.687 1.243 11.262 1.00 0.00 C ATOM 576 O THR A 494 -3.901 1.395 11.401 1.00 0.00 O ATOM 577 CB THR A 494 -1.570 3.178 12.404 1.00 0.00 C ATOM 578 OG1 THR A 494 -2.811 3.652 12.896 1.00 0.00 O ATOM 579 CG2 THR A 494 -0.632 4.361 12.309 1.00 0.00 C ATOM 0 H THR A 494 -3.228 3.752 10.326 1.00 0.00 H new ATOM 0 HA THR A 494 -0.781 2.103 10.732 1.00 0.00 H new ATOM 0 HB THR A 494 -1.133 2.442 13.079 1.00 0.00 H new ATOM 0 HG1 THR A 494 -3.543 3.170 12.456 1.00 0.00 H new ATOM 0 HG21 THR A 494 -0.544 4.835 13.287 1.00 0.00 H new ATOM 0 HG22 THR A 494 0.350 4.021 11.980 1.00 0.00 H new ATOM 0 HG23 THR A 494 -1.026 5.081 11.591 1.00 0.00 H new ATOM 587 N LEU A 495 -2.100 0.053 11.252 1.00 0.00 N ATOM 588 CA LEU A 495 -2.846 -1.194 11.409 1.00 0.00 C ATOM 589 C LEU A 495 -2.120 -2.160 12.351 1.00 0.00 C ATOM 590 O LEU A 495 -0.937 -1.981 12.627 1.00 0.00 O ATOM 591 CB LEU A 495 -3.102 -1.820 10.021 1.00 0.00 C ATOM 592 CG LEU A 495 -2.555 -3.237 9.775 1.00 0.00 C ATOM 593 CD1 LEU A 495 -3.687 -4.188 9.423 1.00 0.00 C ATOM 594 CD2 LEU A 495 -1.518 -3.225 8.662 1.00 0.00 C ATOM 0 H LEU A 495 -1.095 -0.077 11.135 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.810 -0.979 11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.179 -1.840 9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -2.675 -1.158 9.268 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.077 -3.583 10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.284 -5.186 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -4.403 -4.222 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.188 -3.839 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.143 -4.236 8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -1.975 -2.859 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -0.692 -2.571 8.942 1.00 0.00 H new ATOM 606 N PRO A 496 -2.813 -3.205 12.848 1.00 0.00 N ATOM 607 CA PRO A 496 -2.215 -4.216 13.729 1.00 0.00 C ATOM 608 C PRO A 496 -1.353 -5.206 12.925 1.00 0.00 C ATOM 609 O PRO A 496 -1.843 -5.860 12.004 1.00 0.00 O ATOM 610 CB PRO A 496 -3.433 -4.932 14.343 1.00 0.00 C ATOM 611 CG PRO A 496 -4.633 -4.168 13.869 1.00 0.00 C ATOM 612 CD PRO A 496 -4.220 -3.506 12.588 1.00 0.00 C ATOM 0 HA PRO A 496 -1.554 -3.781 14.479 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.479 -5.972 14.021 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.377 -4.937 15.432 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.481 -4.833 13.709 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.943 -3.429 14.608 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.345 -4.164 11.728 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.801 -2.606 12.387 1.00 0.00 H new ATOM 620 N LYS A 497 -0.062 -5.273 13.254 1.00 0.00 N ATOM 621 CA LYS A 497 0.898 -6.134 12.548 1.00 0.00 C ATOM 622 C LYS A 497 0.468 -7.596 12.457 1.00 0.00 C ATOM 623 O LYS A 497 0.863 -8.304 11.530 1.00 0.00 O ATOM 624 CB LYS A 497 2.261 -6.054 13.238 1.00 0.00 C ATOM 625 CG LYS A 497 3.365 -6.781 12.489 1.00 0.00 C ATOM 626 CD LYS A 497 4.739 -6.396 13.011 1.00 0.00 C ATOM 627 CE LYS A 497 5.750 -7.512 12.799 1.00 0.00 C ATOM 628 NZ LYS A 497 5.953 -8.320 14.032 1.00 0.00 N ATOM 0 H LYS A 497 0.351 -4.734 14.016 1.00 0.00 H new ATOM 0 HA LYS A 497 0.949 -5.759 11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.540 -5.007 13.353 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.177 -6.473 14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.225 -7.857 12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 497 3.300 -6.548 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 497 5.081 -5.493 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 497 4.673 -6.161 14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 497 5.410 -8.161 11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 497 6.702 -7.084 12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 6.649 -9.070 13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 6.302 -7.706 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 5.050 -8.750 14.318 1.00 0.00 H new ATOM 642 N SER A 498 -0.286 -8.064 13.434 1.00 0.00 N ATOM 643 CA SER A 498 -0.695 -9.470 13.466 1.00 0.00 C ATOM 644 C SER A 498 -1.535 -9.902 12.255 1.00 0.00 C ATOM 645 O SER A 498 -1.259 -10.937 11.649 1.00 0.00 O ATOM 646 CB SER A 498 -1.476 -9.745 14.752 1.00 0.00 C ATOM 647 OG SER A 498 -1.052 -10.953 15.359 1.00 0.00 O ATOM 0 H SER A 498 -0.629 -7.503 14.213 1.00 0.00 H new ATOM 0 HA SER A 498 0.222 -10.058 13.430 1.00 0.00 H new ATOM 0 HB2 SER A 498 -1.339 -8.917 15.448 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.541 -9.801 14.529 1.00 0.00 H new ATOM 0 HG SER A 498 -1.566 -11.105 16.180 1.00 0.00 H new ATOM 653 N LEU A 499 -2.567 -9.136 11.916 1.00 0.00 N ATOM 654 CA LEU A 499 -3.443 -9.483 10.791 1.00 0.00 C ATOM 655 C LEU A 499 -2.800 -9.233 9.423 1.00 0.00 C ATOM 656 O LEU A 499 -3.361 -9.611 8.394 1.00 0.00 O ATOM 657 CB LEU A 499 -4.753 -8.707 10.891 1.00 0.00 C ATOM 658 CG LEU A 499 -4.626 -7.211 10.621 1.00 0.00 C ATOM 659 CD1 LEU A 499 -5.106 -6.878 9.216 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.405 -6.416 11.657 1.00 0.00 C ATOM 0 H LEU A 499 -2.820 -8.274 12.399 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.630 -10.555 10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.466 -9.131 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -5.169 -8.849 11.888 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.574 -6.935 10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -5.008 -5.806 9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.503 -7.421 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -6.151 -7.168 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.304 -5.351 11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.458 -6.696 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -5.013 -6.631 12.651 1.00 0.00 H new ATOM 672 N VAL A 500 -1.644 -8.584 9.407 1.00 0.00 N ATOM 673 CA VAL A 500 -0.958 -8.276 8.156 1.00 0.00 C ATOM 674 C VAL A 500 -0.291 -9.516 7.557 1.00 0.00 C ATOM 675 O VAL A 500 -0.047 -9.596 6.352 1.00 0.00 O ATOM 676 CB VAL A 500 0.085 -7.156 8.369 1.00 0.00 C ATOM 677 CG1 VAL A 500 1.427 -7.721 8.814 1.00 0.00 C ATOM 678 CG2 VAL A 500 0.238 -6.318 7.110 1.00 0.00 C ATOM 0 H VAL A 500 -1.160 -8.260 10.245 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.710 -7.928 7.448 1.00 0.00 H new ATOM 0 HB VAL A 500 -0.279 -6.510 9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 500 2.137 -6.906 8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.302 -8.259 9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 500 1.805 -8.404 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.977 -5.535 7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.567 -6.953 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.720 -5.864 6.857 1.00 0.00 H new ATOM 688 N TYR A 501 0.027 -10.455 8.430 1.00 0.00 N ATOM 689 CA TYR A 501 0.701 -11.696 8.071 1.00 0.00 C ATOM 690 C TYR A 501 -0.025 -12.548 7.013 1.00 0.00 C ATOM 691 O TYR A 501 0.609 -13.348 6.340 1.00 0.00 O ATOM 692 CB TYR A 501 0.943 -12.534 9.331 1.00 0.00 C ATOM 693 CG TYR A 501 -0.202 -13.460 9.679 1.00 0.00 C ATOM 694 CD1 TYR A 501 -1.497 -12.977 9.800 1.00 0.00 C ATOM 695 CD2 TYR A 501 0.015 -14.817 9.879 1.00 0.00 C ATOM 696 CE1 TYR A 501 -2.546 -13.819 10.111 1.00 0.00 C ATOM 697 CE2 TYR A 501 -1.029 -15.667 10.191 1.00 0.00 C ATOM 698 CZ TYR A 501 -2.308 -15.164 10.305 1.00 0.00 C ATOM 699 OH TYR A 501 -3.350 -16.006 10.615 1.00 0.00 O ATOM 0 H TYR A 501 -0.178 -10.378 9.426 1.00 0.00 H new ATOM 0 HA TYR A 501 1.641 -11.395 7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 501 1.848 -13.126 9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.125 -11.864 10.172 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -1.688 -11.925 9.648 1.00 0.00 H new ATOM 0 HD2 TYR A 501 1.015 -15.214 9.789 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -3.548 -13.427 10.202 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -0.844 -16.720 10.345 1.00 0.00 H new ATOM 0 HH TYR A 501 -4.112 -15.813 10.029 1.00 0.00 H new ATOM 709 N ASP A 502 -1.352 -12.479 6.947 1.00 0.00 N ATOM 710 CA ASP A 502 -2.105 -13.358 6.033 1.00 0.00 C ATOM 711 C ASP A 502 -2.071 -12.979 4.536 1.00 0.00 C ATOM 712 O ASP A 502 -1.804 -13.845 3.701 1.00 0.00 O ATOM 713 CB ASP A 502 -3.562 -13.434 6.494 1.00 0.00 C ATOM 714 CG ASP A 502 -3.796 -14.554 7.488 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.132 -15.606 7.366 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.643 -14.381 8.390 1.00 0.00 O ATOM 0 H ASP A 502 -1.925 -11.841 7.499 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.595 -14.320 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.847 -12.484 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -4.207 -13.580 5.628 1.00 0.00 H new ATOM 721 N LYS A 503 -2.352 -11.723 4.173 1.00 0.00 N ATOM 722 CA LYS A 503 -2.356 -11.332 2.766 1.00 0.00 C ATOM 723 C LYS A 503 -1.329 -10.247 2.467 1.00 0.00 C ATOM 724 O LYS A 503 -1.151 -9.303 3.234 1.00 0.00 O ATOM 725 CB LYS A 503 -3.752 -10.879 2.338 1.00 0.00 C ATOM 726 CG LYS A 503 -4.464 -11.874 1.436 1.00 0.00 C ATOM 727 CD LYS A 503 -5.969 -11.833 1.640 1.00 0.00 C ATOM 728 CE LYS A 503 -6.698 -12.646 0.582 1.00 0.00 C ATOM 729 NZ LYS A 503 -6.467 -12.110 -0.788 1.00 0.00 N ATOM 0 H LYS A 503 -2.576 -10.972 4.826 1.00 0.00 H new ATOM 0 HA LYS A 503 -2.075 -12.212 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.358 -10.709 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.672 -9.924 1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -4.231 -11.654 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -4.096 -12.879 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -6.214 -12.219 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -6.313 -10.799 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -6.364 -13.683 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -7.767 -12.646 0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -7.283 -12.337 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -6.347 -11.078 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -5.609 -12.540 -1.189 1.00 0.00 H new ATOM 743 N THR A 504 -0.645 -10.401 1.353 1.00 0.00 N ATOM 744 CA THR A 504 0.373 -9.435 0.948 1.00 0.00 C ATOM 745 C THR A 504 -0.212 -8.109 0.434 1.00 0.00 C ATOM 746 O THR A 504 -0.195 -7.100 1.137 1.00 0.00 O ATOM 747 CB THR A 504 1.232 -10.052 -0.151 1.00 0.00 C ATOM 748 OG1 THR A 504 1.702 -11.326 0.239 1.00 0.00 O ATOM 749 CG2 THR A 504 2.429 -9.208 -0.526 1.00 0.00 C ATOM 0 H THR A 504 -0.770 -11.181 0.708 1.00 0.00 H new ATOM 0 HA THR A 504 0.960 -9.202 1.836 1.00 0.00 H new ATOM 0 HB THR A 504 0.580 -10.123 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.011 -11.998 0.062 1.00 0.00 H new ATOM 0 HG21 THR A 504 2.994 -9.708 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.091 -8.236 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.066 -9.072 0.348 1.00 0.00 H new ATOM 757 N PHE A 505 -0.710 -8.121 -0.806 1.00 0.00 N ATOM 758 CA PHE A 505 -1.283 -6.927 -1.433 1.00 0.00 C ATOM 759 C PHE A 505 -2.679 -6.566 -0.919 1.00 0.00 C ATOM 760 O PHE A 505 -2.912 -5.461 -0.428 1.00 0.00 O ATOM 761 CB PHE A 505 -1.280 -7.058 -2.965 1.00 0.00 C ATOM 762 CG PHE A 505 -0.445 -6.003 -3.634 1.00 0.00 C ATOM 763 CD1 PHE A 505 -0.985 -4.764 -3.937 1.00 0.00 C ATOM 764 CD2 PHE A 505 0.884 -6.246 -3.950 1.00 0.00 C ATOM 765 CE1 PHE A 505 -0.219 -3.788 -4.544 1.00 0.00 C ATOM 766 CE2 PHE A 505 1.655 -5.271 -4.555 1.00 0.00 C ATOM 767 CZ PHE A 505 1.102 -4.041 -4.853 1.00 0.00 C ATOM 0 H PHE A 505 -0.727 -8.951 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.636 -6.099 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.904 -8.043 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -2.304 -6.993 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -2.017 -4.559 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 505 1.321 -7.207 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 505 -0.654 -2.827 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 505 2.689 -5.471 -4.794 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.702 -3.279 -5.327 1.00 0.00 H new ATOM 777 N SER A 506 -3.616 -7.489 -1.119 1.00 0.00 N ATOM 778 CA SER A 506 -5.020 -7.288 -0.775 1.00 0.00 C ATOM 779 C SER A 506 -5.266 -6.752 0.634 1.00 0.00 C ATOM 780 O SER A 506 -5.664 -5.602 0.804 1.00 0.00 O ATOM 781 CB SER A 506 -5.761 -8.616 -0.921 1.00 0.00 C ATOM 782 OG SER A 506 -5.701 -9.093 -2.253 1.00 0.00 O ATOM 0 H SER A 506 -3.421 -8.403 -1.527 1.00 0.00 H new ATOM 0 HA SER A 506 -5.387 -6.526 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.325 -9.354 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 506 -6.802 -8.489 -0.624 1.00 0.00 H new ATOM 0 HG SER A 506 -6.195 -9.937 -2.321 1.00 0.00 H new ATOM 788 N LYS A 507 -5.073 -7.592 1.636 1.00 0.00 N ATOM 789 CA LYS A 507 -5.350 -7.199 3.015 1.00 0.00 C ATOM 790 C LYS A 507 -4.723 -5.861 3.377 1.00 0.00 C ATOM 791 O LYS A 507 -5.392 -5.000 3.949 1.00 0.00 O ATOM 792 CB LYS A 507 -4.919 -8.283 3.994 1.00 0.00 C ATOM 793 CG LYS A 507 -3.428 -8.549 4.008 1.00 0.00 C ATOM 794 CD LYS A 507 -2.629 -7.582 4.882 1.00 0.00 C ATOM 795 CE LYS A 507 -3.435 -6.979 6.029 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.751 -5.796 6.618 1.00 0.00 N ATOM 0 H LYS A 507 -4.728 -8.546 1.527 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.430 -7.075 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -5.235 -7.998 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.440 -9.208 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -3.255 -9.566 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -3.051 -8.495 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.766 -8.106 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.244 -6.776 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.421 -6.687 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.589 -7.733 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -2.347 -6.053 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -1.990 -5.483 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -3.437 -5.025 6.743 1.00 0.00 H new ATOM 810 N VAL A 508 -3.456 -5.680 3.064 1.00 0.00 N ATOM 811 CA VAL A 508 -2.774 -4.435 3.388 1.00 0.00 C ATOM 812 C VAL A 508 -3.534 -3.214 2.879 1.00 0.00 C ATOM 813 O VAL A 508 -3.882 -2.318 3.651 1.00 0.00 O ATOM 814 CB VAL A 508 -1.353 -4.397 2.797 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.721 -3.029 3.008 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.489 -5.489 3.402 1.00 0.00 C ATOM 0 H VAL A 508 -2.877 -6.372 2.588 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.724 -4.400 4.476 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.424 -4.578 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.283 -3.023 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.328 -2.268 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.665 -2.815 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.511 -5.443 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.425 -5.346 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.932 -6.462 3.190 1.00 0.00 H new ATOM 826 N LEU A 509 -3.744 -3.162 1.576 1.00 0.00 N ATOM 827 CA LEU A 509 -4.401 -2.023 0.945 1.00 0.00 C ATOM 828 C LEU A 509 -5.832 -1.738 1.428 1.00 0.00 C ATOM 829 O LEU A 509 -6.113 -0.634 1.895 1.00 0.00 O ATOM 830 CB LEU A 509 -4.381 -2.195 -0.581 1.00 0.00 C ATOM 831 CG LEU A 509 -5.435 -3.136 -1.163 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.712 -2.375 -1.468 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.906 -3.819 -2.413 1.00 0.00 C ATOM 0 H LEU A 509 -3.468 -3.899 0.927 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.824 -1.150 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.506 -1.214 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.396 -2.560 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.661 -3.904 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.453 -3.059 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -7.099 -1.932 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.502 -1.587 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.670 -4.485 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.653 -3.066 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -4.016 -4.396 -2.163 1.00 0.00 H new ATOM 845 N TRP A 510 -6.750 -2.684 1.252 1.00 0.00 N ATOM 846 CA TRP A 510 -8.150 -2.450 1.611 1.00 0.00 C ATOM 847 C TRP A 510 -8.418 -2.414 3.108 1.00 0.00 C ATOM 848 O TRP A 510 -9.063 -1.499 3.622 1.00 0.00 O ATOM 849 CB TRP A 510 -9.061 -3.500 0.947 1.00 0.00 C ATOM 850 CG TRP A 510 -8.853 -4.900 1.447 1.00 0.00 C ATOM 851 CD1 TRP A 510 -8.117 -5.879 0.846 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.402 -5.485 2.637 1.00 0.00 C ATOM 853 NE1 TRP A 510 -8.151 -7.027 1.599 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.936 -6.813 2.702 1.00 0.00 C ATOM 855 CE3 TRP A 510 -10.234 -5.015 3.657 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -9.273 -7.672 3.745 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.570 -5.870 4.690 1.00 0.00 C ATOM 858 CH2 TRP A 510 -10.090 -7.184 4.728 1.00 0.00 C ATOM 0 H TRP A 510 -6.556 -3.609 0.868 1.00 0.00 H new ATOM 0 HA TRP A 510 -8.380 -1.453 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -10.101 -3.218 1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.892 -3.482 -0.130 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.585 -5.767 -0.087 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.670 -7.898 1.374 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.608 -4.002 3.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.903 -8.686 3.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -11.214 -5.518 5.482 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -10.370 -7.826 5.550 1.00 0.00 H new ATOM 869 N SER A 511 -7.964 -3.432 3.785 1.00 0.00 N ATOM 870 CA SER A 511 -8.184 -3.581 5.204 1.00 0.00 C ATOM 871 C SER A 511 -7.527 -2.493 6.017 1.00 0.00 C ATOM 872 O SER A 511 -8.118 -1.962 6.958 1.00 0.00 O ATOM 873 CB SER A 511 -7.678 -4.946 5.671 1.00 0.00 C ATOM 874 OG SER A 511 -8.485 -5.459 6.717 1.00 0.00 O ATOM 0 H SER A 511 -7.425 -4.191 3.367 1.00 0.00 H new ATOM 0 HA SER A 511 -9.259 -3.501 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.677 -5.643 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.647 -4.857 6.013 1.00 0.00 H new ATOM 0 HG SER A 511 -9.214 -5.992 6.336 1.00 0.00 H new ATOM 880 N ALA A 512 -6.274 -2.240 5.721 1.00 0.00 N ATOM 881 CA ALA A 512 -5.508 -1.305 6.498 1.00 0.00 C ATOM 882 C ALA A 512 -5.856 0.167 6.349 1.00 0.00 C ATOM 883 O ALA A 512 -6.346 0.780 7.298 1.00 0.00 O ATOM 884 CB ALA A 512 -4.027 -1.508 6.221 1.00 0.00 C ATOM 0 H ALA A 512 -5.767 -2.670 4.948 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.774 -1.536 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.446 -0.799 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.742 -2.525 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.830 -1.347 5.161 1.00 0.00 H new ATOM 890 N GLY A 513 -5.487 0.770 5.227 1.00 0.00 N ATOM 891 CA GLY A 513 -5.669 2.205 5.124 1.00 0.00 C ATOM 892 C GLY A 513 -6.610 2.810 4.115 1.00 0.00 C ATOM 893 O GLY A 513 -7.101 3.918 4.341 1.00 0.00 O ATOM 0 H GLY A 513 -5.079 0.312 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.990 2.555 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.685 2.636 4.938 1.00 0.00 H new ATOM 897 N LEU A 514 -6.714 2.227 2.937 1.00 0.00 N ATOM 898 CA LEU A 514 -7.430 2.930 1.877 1.00 0.00 C ATOM 899 C LEU A 514 -8.796 2.449 1.443 1.00 0.00 C ATOM 900 O LEU A 514 -9.642 3.295 1.144 1.00 0.00 O ATOM 901 CB LEU A 514 -6.529 2.987 0.635 1.00 0.00 C ATOM 902 CG LEU A 514 -5.734 4.287 0.417 1.00 0.00 C ATOM 903 CD1 LEU A 514 -6.096 4.916 -0.917 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.948 5.289 1.546 1.00 0.00 C ATOM 0 H LEU A 514 -6.334 1.313 2.690 1.00 0.00 H new ATOM 0 HA LEU A 514 -7.649 3.891 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.821 2.160 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -7.150 2.817 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.677 4.019 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -5.524 5.834 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -5.863 4.220 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -7.161 5.146 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.367 6.190 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -7.005 5.546 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -5.625 4.849 2.489 1.00 0.00 H new ATOM 916 N VAL A 515 -9.014 1.164 1.236 1.00 0.00 N ATOM 917 CA VAL A 515 -10.290 0.820 0.635 1.00 0.00 C ATOM 918 C VAL A 515 -10.964 -0.490 1.076 1.00 0.00 C ATOM 919 O VAL A 515 -10.409 -1.311 1.783 1.00 0.00 O ATOM 920 CB VAL A 515 -10.060 0.837 -0.886 1.00 0.00 C ATOM 921 CG1 VAL A 515 -9.138 -0.302 -1.285 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.362 0.831 -1.675 1.00 0.00 C ATOM 0 H VAL A 515 -8.381 0.394 1.454 1.00 0.00 H new ATOM 0 HA VAL A 515 -11.011 1.558 0.987 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.571 1.777 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.981 -0.282 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -8.180 -0.190 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.590 -1.252 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -11.141 0.844 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.930 -0.067 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -11.949 1.712 -1.416 1.00 0.00 H new ATOM 932 N ALA A 516 -12.197 -0.635 0.594 1.00 0.00 N ATOM 933 CA ALA A 516 -13.073 -1.780 0.808 1.00 0.00 C ATOM 934 C ALA A 516 -12.827 -2.797 -0.302 1.00 0.00 C ATOM 935 O ALA A 516 -13.525 -3.802 -0.433 1.00 0.00 O ATOM 936 CB ALA A 516 -14.533 -1.350 0.843 1.00 0.00 C ATOM 0 H ALA A 516 -12.632 0.082 0.014 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.850 -2.235 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -15.166 -2.223 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.683 -0.638 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.797 -0.880 -0.105 1.00 0.00 H new ATOM 942 N SER A 517 -11.897 -2.418 -1.165 1.00 0.00 N ATOM 943 CA SER A 517 -11.543 -3.092 -2.371 1.00 0.00 C ATOM 944 C SER A 517 -11.011 -4.507 -2.193 1.00 0.00 C ATOM 945 O SER A 517 -10.539 -5.082 -3.165 1.00 0.00 O ATOM 946 CB SER A 517 -10.501 -2.233 -3.099 1.00 0.00 C ATOM 947 OG SER A 517 -9.187 -2.569 -2.695 1.00 0.00 O ATOM 0 H SER A 517 -11.343 -1.575 -1.017 1.00 0.00 H new ATOM 0 HA SER A 517 -12.461 -3.213 -2.945 1.00 0.00 H new ATOM 0 HB2 SER A 517 -10.600 -2.372 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 517 -10.688 -1.179 -2.895 1.00 0.00 H new ATOM 0 HG SER A 517 -8.541 -2.140 -3.294 1.00 0.00 H new ATOM 953 N LYS A 518 -11.084 -5.122 -1.015 1.00 0.00 N ATOM 954 CA LYS A 518 -10.586 -6.495 -0.939 1.00 0.00 C ATOM 955 C LYS A 518 -11.097 -7.182 -2.200 1.00 0.00 C ATOM 956 O LYS A 518 -10.355 -7.872 -2.898 1.00 0.00 O ATOM 957 CB LYS A 518 -11.130 -7.209 0.302 1.00 0.00 C ATOM 958 CG LYS A 518 -10.911 -8.716 0.294 1.00 0.00 C ATOM 959 CD LYS A 518 -9.443 -9.073 0.115 1.00 0.00 C ATOM 960 CE LYS A 518 -9.264 -10.233 -0.851 1.00 0.00 C ATOM 961 NZ LYS A 518 -9.703 -11.524 -0.256 1.00 0.00 N ATOM 0 H LYS A 518 -11.457 -4.726 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.499 -6.518 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -10.656 -6.788 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -12.198 -7.008 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -11.277 -9.141 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -11.495 -9.164 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -8.899 -8.204 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -9.011 -9.333 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -9.834 -10.040 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -8.216 -10.305 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -9.192 -12.307 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -9.499 -11.523 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -10.725 -11.645 -0.405 1.00 0.00 H new ATOM 975 N SER A 519 -12.338 -6.858 -2.550 1.00 0.00 N ATOM 976 CA SER A 519 -12.918 -7.302 -3.801 1.00 0.00 C ATOM 977 C SER A 519 -12.281 -6.489 -4.942 1.00 0.00 C ATOM 978 O SER A 519 -11.728 -7.044 -5.902 1.00 0.00 O ATOM 979 CB SER A 519 -14.436 -7.111 -3.793 1.00 0.00 C ATOM 980 OG SER A 519 -15.100 -8.319 -3.462 1.00 0.00 O ATOM 0 H SER A 519 -12.959 -6.286 -1.978 1.00 0.00 H new ATOM 0 HA SER A 519 -12.721 -8.365 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.704 -6.336 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.768 -6.767 -4.773 1.00 0.00 H new ATOM 0 HG SER A 519 -16.069 -8.170 -3.462 1.00 0.00 H new ATOM 986 N GLU A 520 -12.355 -5.147 -4.811 1.00 0.00 N ATOM 987 CA GLU A 520 -11.793 -4.241 -5.811 1.00 0.00 C ATOM 988 C GLU A 520 -10.264 -4.320 -5.839 1.00 0.00 C ATOM 989 O GLU A 520 -9.660 -4.461 -6.904 1.00 0.00 O ATOM 990 CB GLU A 520 -12.300 -2.805 -5.595 1.00 0.00 C ATOM 991 CG GLU A 520 -11.464 -1.723 -6.272 1.00 0.00 C ATOM 992 CD GLU A 520 -12.256 -0.924 -7.290 1.00 0.00 C ATOM 993 OE1 GLU A 520 -13.230 -1.473 -7.847 1.00 0.00 O ATOM 994 OE2 GLU A 520 -11.902 0.250 -7.529 1.00 0.00 O ATOM 0 H GLU A 520 -12.799 -4.677 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.140 -4.561 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -13.324 -2.737 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -12.332 -2.603 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -11.068 -1.047 -5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -10.609 -2.185 -6.765 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.651 -4.253 -4.666 1.00 0.00 N ATOM 1002 CA GLY A 521 -8.216 -4.339 -4.544 1.00 0.00 C ATOM 1003 C GLY A 521 -7.704 -5.519 -5.304 1.00 0.00 C ATOM 1004 O GLY A 521 -6.841 -5.373 -6.156 1.00 0.00 O ATOM 0 H GLY A 521 -10.140 -4.138 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.756 -3.426 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.937 -4.425 -3.494 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.273 -6.688 -5.029 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.895 -7.905 -5.728 1.00 0.00 C ATOM 1010 C GLN A 522 -7.878 -7.642 -7.231 1.00 0.00 C ATOM 1011 O GLN A 522 -6.920 -7.985 -7.920 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.871 -9.037 -5.401 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.400 -9.939 -4.271 1.00 0.00 C ATOM 1014 CD GLN A 522 -7.514 -11.069 -4.758 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -6.535 -10.843 -5.468 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -7.855 -12.295 -4.377 1.00 0.00 N ATOM 0 H GLN A 522 -8.999 -6.816 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.900 -8.208 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.836 -8.607 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -9.027 -9.640 -6.295 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.854 -9.344 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -9.267 -10.357 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -8.675 -12.436 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -7.296 -13.095 -4.674 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.940 -7.008 -7.729 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.042 -6.671 -9.148 1.00 0.00 C ATOM 1027 C ARG A 523 -7.775 -5.967 -9.629 1.00 0.00 C ATOM 1028 O ARG A 523 -7.200 -6.344 -10.645 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.260 -5.780 -9.394 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.871 -5.955 -10.774 1.00 0.00 C ATOM 1031 CD ARG A 523 -11.103 -4.617 -11.459 1.00 0.00 C ATOM 1032 NE ARG A 523 -10.133 -4.372 -12.523 1.00 0.00 N ATOM 1033 CZ ARG A 523 -9.916 -3.177 -13.069 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -10.596 -2.116 -12.652 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -9.016 -3.042 -14.033 1.00 0.00 N ATOM 0 H ARG A 523 -9.742 -6.718 -7.170 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.159 -7.597 -9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -11.017 -5.997 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -9.970 -4.737 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.213 -6.569 -11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -11.817 -6.489 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -12.111 -4.592 -11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -11.042 -3.817 -10.722 1.00 0.00 H new ATOM 0 HE ARG A 523 -9.590 -5.163 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -11.289 -2.214 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -10.426 -1.203 -13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -8.490 -3.854 -14.357 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -8.850 -2.127 -14.451 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.336 -4.952 -8.890 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.123 -4.221 -9.245 1.00 0.00 C ATOM 1051 C ILE A 524 -4.942 -5.184 -9.276 1.00 0.00 C ATOM 1052 O ILE A 524 -4.218 -5.280 -10.265 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.838 -3.077 -8.248 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.915 -1.999 -8.367 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.456 -2.479 -8.486 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -8.094 -2.219 -7.445 1.00 0.00 C ATOM 0 H ILE A 524 -7.800 -4.618 -8.045 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.269 -3.777 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.858 -3.486 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -6.471 -1.027 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -7.271 -1.964 -9.397 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.279 -1.675 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.698 -3.252 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.401 -2.082 -9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.819 -1.416 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -8.563 -3.175 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -7.751 -2.224 -6.410 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.796 -5.924 -8.191 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.757 -6.924 -8.065 1.00 0.00 C ATOM 1070 C ILE A 525 -3.809 -7.814 -9.301 1.00 0.00 C ATOM 1071 O ILE A 525 -2.800 -8.067 -9.960 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.938 -7.790 -6.794 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.622 -7.012 -5.661 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.599 -8.313 -6.319 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -4.074 -5.616 -5.436 1.00 0.00 C ATOM 0 H ILE A 525 -5.398 -5.846 -7.371 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.793 -6.422 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.583 -8.627 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.688 -6.939 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.524 -7.581 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.742 -8.920 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -2.147 -8.922 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.942 -7.474 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.615 -5.140 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -3.015 -5.677 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.197 -5.026 -6.344 1.00 0.00 H new ATOM 1087 N ASN A 526 -5.032 -8.237 -9.620 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.309 -9.055 -10.797 1.00 0.00 C ATOM 1089 C ASN A 526 -4.853 -8.295 -12.022 1.00 0.00 C ATOM 1090 O ASN A 526 -4.115 -8.805 -12.865 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.801 -9.344 -10.897 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.119 -10.403 -11.931 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.038 -10.025 -13.201 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -7.433 -11.544 -11.595 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.861 -8.020 -9.066 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.778 -10.004 -10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.171 -9.668 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.330 -8.425 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -7.482 -11.789 -10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -7.644 -12.245 -12.305 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.261 -7.034 -12.057 1.00 0.00 N ATOM 1102 CA ASN A 527 -4.872 -6.113 -13.111 1.00 0.00 C ATOM 1103 C ASN A 527 -3.365 -6.229 -13.286 1.00 0.00 C ATOM 1104 O ASN A 527 -2.843 -6.197 -14.401 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.317 -4.680 -12.784 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.182 -3.677 -12.767 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.878 -3.168 -11.585 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.589 -3.368 -13.801 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.873 -6.622 -11.352 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.365 -6.367 -14.049 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.059 -4.363 -13.517 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.809 -4.675 -11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.861 -3.788 -14.690 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -2.826 -2.692 -13.769 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.680 -6.358 -12.152 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.232 -6.473 -12.129 1.00 0.00 C ATOM 1117 C ASN A 528 -0.555 -5.145 -12.413 1.00 0.00 C ATOM 1118 O ASN A 528 0.456 -5.078 -13.114 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.763 -7.524 -13.142 1.00 0.00 C ATOM 1120 CG ASN A 528 0.667 -7.965 -12.900 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.830 -9.118 -12.260 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.614 -7.279 -13.285 1.00 0.00 N flip ATOM 0 H ASN A 528 -3.115 -6.385 -11.230 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.947 -6.786 -11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.421 -8.392 -13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -0.849 -7.117 -14.149 1.00 0.00 H new ATOM 0 HD21 ASN A 528 1.442 -6.400 -13.773 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.571 -7.590 -13.116 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.115 -4.091 -11.831 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.545 -2.762 -11.996 1.00 0.00 C ATOM 1131 C GLY A 529 0.004 -2.196 -10.691 1.00 0.00 C ATOM 1132 O GLY A 529 0.005 -0.982 -10.490 1.00 0.00 O ATOM 0 H GLY A 529 -1.952 -4.130 -11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 529 0.255 -2.802 -12.736 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.308 -2.089 -12.388 1.00 0.00 H new ATOM 1136 N ALA A 530 0.455 -3.079 -9.796 1.00 0.00 N ATOM 1137 CA ALA A 530 0.988 -2.662 -8.499 1.00 0.00 C ATOM 1138 C ALA A 530 2.316 -3.366 -8.155 1.00 0.00 C ATOM 1139 O ALA A 530 2.669 -4.382 -8.746 1.00 0.00 O ATOM 1140 CB ALA A 530 -0.044 -2.939 -7.418 1.00 0.00 C ATOM 0 H ALA A 530 0.461 -4.088 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 530 1.198 -1.594 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.351 -2.629 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.955 -2.381 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.268 -4.005 -7.394 1.00 0.00 H new ATOM 1146 N TYR A 531 3.027 -2.822 -7.172 1.00 0.00 N ATOM 1147 CA TYR A 531 4.288 -3.389 -6.680 1.00 0.00 C ATOM 1148 C TYR A 531 4.263 -3.385 -5.145 1.00 0.00 C ATOM 1149 O TYR A 531 3.590 -2.541 -4.550 1.00 0.00 O ATOM 1150 CB TYR A 531 5.493 -2.604 -7.231 1.00 0.00 C ATOM 1151 CG TYR A 531 6.468 -2.100 -6.181 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.490 -2.911 -5.690 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.370 -0.804 -5.691 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.378 -2.437 -4.741 1.00 0.00 C ATOM 1155 CE2 TYR A 531 7.255 -0.329 -4.743 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.255 -1.147 -4.273 1.00 0.00 C ATOM 1157 OH TYR A 531 9.139 -0.676 -3.329 1.00 0.00 O ATOM 0 H TYR A 531 2.746 -1.969 -6.688 1.00 0.00 H new ATOM 0 HA TYR A 531 4.394 -4.416 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 531 6.034 -3.242 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.122 -1.751 -7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 531 7.590 -3.922 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 531 5.588 -0.156 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 531 9.165 -3.076 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 531 7.162 0.681 -4.372 1.00 0.00 H new ATOM 0 HH TYR A 531 8.916 0.252 -3.106 1.00 0.00 H new ATOM 1167 N VAL A 532 4.983 -4.305 -4.488 1.00 0.00 N ATOM 1168 CA VAL A 532 4.973 -4.319 -3.024 1.00 0.00 C ATOM 1169 C VAL A 532 6.380 -4.344 -2.441 1.00 0.00 C ATOM 1170 O VAL A 532 7.267 -5.078 -2.898 1.00 0.00 O ATOM 1171 CB VAL A 532 4.119 -5.494 -2.472 1.00 0.00 C ATOM 1172 CG1 VAL A 532 4.957 -6.487 -1.673 1.00 0.00 C ATOM 1173 CG2 VAL A 532 2.974 -4.962 -1.623 1.00 0.00 C ATOM 0 H VAL A 532 5.558 -5.023 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 532 4.508 -3.387 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 532 3.711 -6.030 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.318 -7.291 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 532 5.735 -6.904 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.418 -5.976 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.384 -5.796 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.376 -4.391 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.340 -4.317 -2.231 1.00 0.00 H new ATOM 1183 N GLY A 533 6.565 -3.511 -1.420 1.00 0.00 N ATOM 1184 CA GLY A 533 7.848 -3.412 -0.772 1.00 0.00 C ATOM 1185 C GLY A 533 7.790 -3.433 0.743 1.00 0.00 C ATOM 1186 O GLY A 533 6.748 -3.176 1.349 1.00 0.00 O ATOM 0 H GLY A 533 5.842 -2.904 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.476 -4.236 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.332 -2.489 -1.092 1.00 0.00 H new ATOM 1190 N SER A 534 8.939 -3.724 1.341 1.00 0.00 N ATOM 1191 CA SER A 534 9.093 -3.761 2.798 1.00 0.00 C ATOM 1192 C SER A 534 10.357 -3.024 3.223 1.00 0.00 C ATOM 1193 O SER A 534 11.387 -3.126 2.557 1.00 0.00 O ATOM 1194 CB SER A 534 9.180 -5.191 3.313 1.00 0.00 C ATOM 1195 OG SER A 534 8.886 -5.240 4.697 1.00 0.00 O ATOM 0 H SER A 534 9.795 -3.942 0.831 1.00 0.00 H new ATOM 0 HA SER A 534 8.213 -3.277 3.222 1.00 0.00 H new ATOM 0 HB2 SER A 534 8.482 -5.824 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.179 -5.588 3.133 1.00 0.00 H new ATOM 0 HG SER A 534 8.575 -6.139 4.934 1.00 0.00 H new ATOM 1201 N ARG A 535 10.292 -2.306 4.338 1.00 0.00 N ATOM 1202 CA ARG A 535 11.471 -1.592 4.823 1.00 0.00 C ATOM 1203 C ARG A 535 11.383 -1.248 6.311 1.00 0.00 C ATOM 1204 O ARG A 535 10.911 -0.176 6.679 1.00 0.00 O ATOM 1205 CB ARG A 535 11.673 -0.325 4.005 1.00 0.00 C ATOM 1206 CG ARG A 535 13.133 0.041 3.784 1.00 0.00 C ATOM 1207 CD ARG A 535 13.944 -0.079 5.065 1.00 0.00 C ATOM 1208 NE ARG A 535 15.133 0.771 5.041 1.00 0.00 N ATOM 1209 CZ ARG A 535 15.110 2.081 5.272 1.00 0.00 C ATOM 1210 NH1 ARG A 535 13.966 2.695 5.547 1.00 0.00 N ATOM 1211 NH2 ARG A 535 16.236 2.782 5.227 1.00 0.00 N ATOM 0 H ARG A 535 9.456 -2.202 4.914 1.00 0.00 H new ATOM 0 HA ARG A 535 12.326 -2.257 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 535 11.189 -0.449 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.173 0.503 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.560 -0.610 3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 535 13.199 1.061 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 535 13.320 0.194 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.243 -1.117 5.209 1.00 0.00 H new ATOM 0 HE ARG A 535 16.032 0.335 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 535 13.097 2.162 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 535 13.956 3.700 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 535 17.119 2.316 5.015 1.00 0.00 H new ATOM 0 HH22 ARG A 535 16.219 3.786 5.404 1.00 0.00 H new ATOM 1401 N ASP A 549 14.873 -8.573 3.138 1.00 0.00 N ATOM 1402 CA ASP A 549 13.547 -8.086 3.469 1.00 0.00 C ATOM 1403 C ASP A 549 13.599 -6.585 3.731 1.00 0.00 C ATOM 1404 O ASP A 549 12.570 -5.911 3.734 1.00 0.00 O ATOM 1405 CB ASP A 549 12.997 -8.816 4.695 1.00 0.00 C ATOM 1406 CG ASP A 549 13.167 -10.319 4.598 1.00 0.00 C ATOM 1407 OD1 ASP A 549 12.698 -10.907 3.601 1.00 0.00 O ATOM 1408 OD2 ASP A 549 13.771 -10.908 5.519 1.00 0.00 O ATOM 0 HA ASP A 549 12.882 -8.280 2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 549 13.505 -8.453 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 549 11.939 -8.580 4.811 1.00 0.00 H new ATOM 1413 N ASP A 550 14.813 -6.062 3.932 1.00 0.00 N ATOM 1414 CA ASP A 550 14.999 -4.641 4.170 1.00 0.00 C ATOM 1415 C ASP A 550 14.277 -3.860 3.087 1.00 0.00 C ATOM 1416 O ASP A 550 13.681 -2.815 3.333 1.00 0.00 O ATOM 1417 CB ASP A 550 16.485 -4.288 4.178 1.00 0.00 C ATOM 1418 CG ASP A 550 17.166 -4.624 2.866 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.123 -3.785 1.942 1.00 0.00 O ATOM 1420 OD2 ASP A 550 17.744 -5.727 2.762 1.00 0.00 O ATOM 0 H ASP A 550 15.675 -6.607 3.933 1.00 0.00 H new ATOM 0 HA ASP A 550 14.586 -4.381 5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 550 16.602 -3.224 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.979 -4.824 4.988 1.00 0.00 H new ATOM 1425 N LEU A 551 14.318 -4.417 1.889 1.00 0.00 N ATOM 1426 CA LEU A 551 13.650 -3.846 0.739 1.00 0.00 C ATOM 1427 C LEU A 551 12.862 -4.951 0.062 1.00 0.00 C ATOM 1428 O LEU A 551 13.347 -6.072 -0.056 1.00 0.00 O ATOM 1429 CB LEU A 551 14.672 -3.259 -0.235 1.00 0.00 C ATOM 1430 CG LEU A 551 14.165 -3.059 -1.668 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.116 -1.959 -1.717 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.321 -2.739 -2.604 1.00 0.00 C ATOM 0 H LEU A 551 14.819 -5.283 1.689 1.00 0.00 H new ATOM 0 HA LEU A 551 12.985 -3.041 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.009 -2.297 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.543 -3.914 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 551 13.702 -3.988 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.769 -1.833 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.274 -2.230 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.552 -1.025 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.942 -2.600 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.815 -1.825 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.036 -3.562 -2.594 1.00 0.00 H new ATOM 1444 N THR A 552 11.659 -4.653 -0.387 1.00 0.00 N ATOM 1445 CA THR A 552 10.864 -5.669 -1.049 1.00 0.00 C ATOM 1446 C THR A 552 10.236 -5.149 -2.331 1.00 0.00 C ATOM 1447 O THR A 552 9.870 -3.981 -2.443 1.00 0.00 O ATOM 1448 CB THR A 552 9.789 -6.233 -0.116 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.328 -6.505 1.167 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.173 -7.516 -0.630 1.00 0.00 C ATOM 0 H THR A 552 11.217 -3.737 -0.309 1.00 0.00 H new ATOM 0 HA THR A 552 11.544 -6.478 -1.315 1.00 0.00 H new ATOM 0 HB THR A 552 9.017 -5.465 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.414 -7.474 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.419 -7.865 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 552 8.707 -7.334 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 552 9.948 -8.274 -0.737 1.00 0.00 H new ATOM 1458 N PHE A 553 10.086 -6.050 -3.276 1.00 0.00 N ATOM 1459 CA PHE A 553 9.458 -5.756 -4.541 1.00 0.00 C ATOM 1460 C PHE A 553 8.476 -6.866 -4.857 1.00 0.00 C ATOM 1461 O PHE A 553 8.784 -8.033 -4.673 1.00 0.00 O ATOM 1462 CB PHE A 553 10.503 -5.633 -5.652 1.00 0.00 C ATOM 1463 CG PHE A 553 11.002 -4.231 -5.855 1.00 0.00 C ATOM 1464 CD1 PHE A 553 10.371 -3.378 -6.746 1.00 0.00 C ATOM 1465 CD2 PHE A 553 12.106 -3.768 -5.156 1.00 0.00 C ATOM 1466 CE1 PHE A 553 10.830 -2.088 -6.935 1.00 0.00 C ATOM 1467 CE2 PHE A 553 12.569 -2.480 -5.341 1.00 0.00 C ATOM 1468 CZ PHE A 553 11.930 -1.638 -6.231 1.00 0.00 C ATOM 0 H PHE A 553 10.400 -7.016 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 553 8.934 -4.802 -4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.348 -6.280 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.073 -5.996 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 553 9.511 -3.725 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 553 12.610 -4.422 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 553 10.329 -1.433 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 553 13.430 -2.131 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.290 -0.630 -6.376 1.00 0.00 H new ATOM 1478 N THR A 554 7.314 -6.527 -5.349 1.00 0.00 N ATOM 1479 CA THR A 554 6.348 -7.547 -5.704 1.00 0.00 C ATOM 1480 C THR A 554 5.811 -7.245 -7.086 1.00 0.00 C ATOM 1481 O THR A 554 5.550 -6.091 -7.416 1.00 0.00 O ATOM 1482 CB THR A 554 5.229 -7.621 -4.657 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.654 -8.363 -3.527 1.00 0.00 O ATOM 1484 CG2 THR A 554 3.950 -8.265 -5.150 1.00 0.00 C ATOM 0 H THR A 554 7.011 -5.567 -5.514 1.00 0.00 H new ATOM 0 HA THR A 554 6.826 -8.526 -5.720 1.00 0.00 H new ATOM 0 HB THR A 554 5.015 -6.580 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 554 6.623 -8.264 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.214 -8.275 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.558 -7.696 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.156 -9.288 -5.466 1.00 0.00 H new ATOM 1492 N PRO A 555 5.643 -8.265 -7.927 1.00 0.00 N ATOM 1493 CA PRO A 555 5.140 -8.068 -9.268 1.00 0.00 C ATOM 1494 C PRO A 555 3.622 -8.028 -9.304 1.00 0.00 C ATOM 1495 O PRO A 555 3.018 -8.202 -10.359 1.00 0.00 O ATOM 1496 CB PRO A 555 5.694 -9.274 -10.004 1.00 0.00 C ATOM 1497 CG PRO A 555 5.693 -10.360 -8.983 1.00 0.00 C ATOM 1498 CD PRO A 555 5.935 -9.687 -7.652 1.00 0.00 C ATOM 0 HA PRO A 555 5.441 -7.117 -9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.076 -9.535 -10.863 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.699 -9.083 -10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 555 4.742 -10.893 -8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.470 -11.094 -9.195 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.284 -10.088 -6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 555 6.961 -9.828 -7.312 1.00 0.00 H new ATOM 1506 N ILE A 556 3.019 -7.775 -8.136 1.00 0.00 N ATOM 1507 CA ILE A 556 1.577 -7.661 -8.010 1.00 0.00 C ATOM 1508 C ILE A 556 0.844 -8.932 -8.396 1.00 0.00 C ATOM 1509 O ILE A 556 -0.284 -8.887 -8.884 1.00 0.00 O ATOM 1510 CB ILE A 556 1.000 -6.446 -8.730 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.444 -6.189 -8.297 1.00 0.00 C ATOM 1512 CG2 ILE A 556 1.084 -6.635 -10.207 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.644 -6.236 -6.799 1.00 0.00 C ATOM 0 H ILE A 556 3.523 -7.645 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 556 1.404 -7.504 -6.945 1.00 0.00 H new ATOM 0 HB ILE A 556 1.590 -5.571 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.757 -5.212 -8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.092 -6.930 -8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.669 -5.761 -10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 556 2.127 -6.761 -10.499 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.518 -7.521 -10.493 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.691 -6.045 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.363 -7.220 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.022 -5.477 -6.325 1.00 0.00 H new ATOM 1525 N LYS A 557 1.473 -10.065 -8.161 1.00 0.00 N ATOM 1526 CA LYS A 557 0.856 -11.337 -8.470 1.00 0.00 C ATOM 1527 C LYS A 557 0.442 -11.884 -7.135 1.00 0.00 C ATOM 1528 O LYS A 557 1.245 -11.964 -6.204 1.00 0.00 O ATOM 1529 CB LYS A 557 1.837 -12.280 -9.172 1.00 0.00 C ATOM 1530 CG LYS A 557 1.666 -12.322 -10.682 1.00 0.00 C ATOM 1531 CD LYS A 557 0.619 -13.343 -11.096 1.00 0.00 C ATOM 1532 CE LYS A 557 1.126 -14.765 -10.916 1.00 0.00 C ATOM 1533 NZ LYS A 557 0.575 -15.400 -9.687 1.00 0.00 N ATOM 0 H LYS A 557 2.408 -10.131 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 557 0.015 -11.229 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.856 -11.970 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 557 1.710 -13.286 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.377 -11.335 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.619 -12.566 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.285 -13.200 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 557 0.345 -13.182 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 557 0.852 -15.361 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 557 2.215 -14.758 -10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.327 -15.932 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.208 -14.664 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 -0.195 -16.048 -9.947 1.00 0.00 H new ATOM 1547 N THR A 558 -0.853 -12.104 -6.995 1.00 0.00 N ATOM 1548 CA THR A 558 -1.389 -12.456 -5.706 1.00 0.00 C ATOM 1549 C THR A 558 -0.759 -13.689 -5.090 1.00 0.00 C ATOM 1550 O THR A 558 -0.912 -14.815 -5.559 1.00 0.00 O ATOM 1551 CB THR A 558 -2.902 -12.649 -5.803 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.423 -13.153 -4.586 1.00 0.00 O ATOM 1553 CG2 THR A 558 -3.315 -13.599 -6.907 1.00 0.00 C ATOM 0 H THR A 558 -1.538 -12.045 -7.748 1.00 0.00 H new ATOM 0 HA THR A 558 -1.147 -11.624 -5.045 1.00 0.00 H new ATOM 0 HB THR A 558 -3.305 -11.661 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.393 -13.268 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 558 -4.401 -13.691 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.971 -13.213 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.870 -14.578 -6.730 1.00 0.00 H new ATOM 1561 N TRP A 559 -0.128 -13.418 -3.958 1.00 0.00 N ATOM 1562 CA TRP A 559 0.492 -14.402 -3.098 1.00 0.00 C ATOM 1563 C TRP A 559 0.098 -13.981 -1.691 1.00 0.00 C ATOM 1564 O TRP A 559 0.485 -12.899 -1.250 1.00 0.00 O ATOM 1565 CB TRP A 559 2.014 -14.404 -3.278 1.00 0.00 C ATOM 1566 CG TRP A 559 2.457 -14.329 -4.714 1.00 0.00 C ATOM 1567 CD1 TRP A 559 1.854 -14.907 -5.796 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.603 -13.637 -5.225 1.00 0.00 C ATOM 1569 NE1 TRP A 559 2.554 -14.619 -6.940 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.631 -13.842 -6.618 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.609 -12.865 -4.641 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.624 -13.303 -7.430 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 5.594 -12.330 -5.449 1.00 0.00 C ATOM 1574 CH2 TRP A 559 5.595 -12.552 -6.830 1.00 0.00 C ATOM 0 H TRP A 559 -0.033 -12.467 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 559 0.168 -15.418 -3.325 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.436 -13.559 -2.733 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.422 -15.309 -2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 559 0.955 -15.505 -5.756 1.00 0.00 H new ATOM 0 HE1 TRP A 559 2.310 -14.934 -7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 559 4.617 -12.689 -3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.627 -13.472 -8.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 6.376 -11.731 -5.007 1.00 0.00 H new ATOM 0 HH2 TRP A 559 6.379 -12.121 -7.434 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.736 -14.754 -1.015 1.00 0.00 N ATOM 1586 CA ASN A 560 -1.213 -14.315 0.288 1.00 0.00 C ATOM 1587 C ASN A 560 -0.207 -14.480 1.418 1.00 0.00 C ATOM 1588 O ASN A 560 0.353 -13.499 1.891 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.498 -15.064 0.643 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.629 -14.763 -0.322 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.905 -13.603 -0.629 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -4.289 -15.809 -0.804 1.00 0.00 N ATOM 0 H ASN A 560 -1.088 -15.658 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.390 -13.244 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -2.302 -16.136 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.805 -14.794 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -5.060 -15.669 -1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -4.025 -16.753 -0.521 1.00 0.00 H new ATOM 1599 N ALA A 561 -0.020 -15.706 1.879 1.00 0.00 N ATOM 1600 CA ALA A 561 0.875 -15.979 3.001 1.00 0.00 C ATOM 1601 C ALA A 561 2.371 -15.903 2.700 1.00 0.00 C ATOM 1602 O ALA A 561 3.106 -15.182 3.371 1.00 0.00 O ATOM 1603 CB ALA A 561 0.516 -17.304 3.627 1.00 0.00 C ATOM 0 H ALA A 561 -0.476 -16.533 1.495 1.00 0.00 H new ATOM 0 HA ALA A 561 0.711 -15.161 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.185 -17.505 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.513 -17.270 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 561 0.616 -18.096 2.885 1.00 0.00 H new ATOM 1609 N SER A 562 2.837 -16.684 1.743 1.00 0.00 N ATOM 1610 CA SER A 562 4.263 -16.723 1.429 1.00 0.00 C ATOM 1611 C SER A 562 4.861 -15.329 1.246 1.00 0.00 C ATOM 1612 O SER A 562 5.867 -14.979 1.875 1.00 0.00 O ATOM 1613 CB SER A 562 4.502 -17.557 0.170 1.00 0.00 C ATOM 1614 OG SER A 562 5.766 -18.196 0.214 1.00 0.00 O ATOM 0 H SER A 562 2.258 -17.298 1.170 1.00 0.00 H new ATOM 0 HA SER A 562 4.764 -17.183 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.716 -18.306 0.071 1.00 0.00 H new ATOM 0 HB3 SER A 562 4.445 -16.917 -0.710 1.00 0.00 H new ATOM 0 HG SER A 562 5.894 -18.724 -0.601 1.00 0.00 H new ATOM 1620 N LYS A 563 4.251 -14.549 0.374 1.00 0.00 N ATOM 1621 CA LYS A 563 4.738 -13.209 0.080 1.00 0.00 C ATOM 1622 C LYS A 563 4.548 -12.251 1.248 1.00 0.00 C ATOM 1623 O LYS A 563 5.472 -11.531 1.621 1.00 0.00 O ATOM 1624 CB LYS A 563 4.044 -12.661 -1.161 1.00 0.00 C ATOM 1625 CG LYS A 563 4.533 -11.283 -1.569 1.00 0.00 C ATOM 1626 CD LYS A 563 5.975 -11.321 -2.047 1.00 0.00 C ATOM 1627 CE LYS A 563 6.941 -10.966 -0.928 1.00 0.00 C ATOM 1628 NZ LYS A 563 8.203 -10.374 -1.450 1.00 0.00 N ATOM 0 H LYS A 563 3.416 -14.818 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 563 5.810 -13.289 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 563 4.198 -13.353 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 563 2.970 -12.617 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 563 3.896 -10.890 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.447 -10.600 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 563 6.207 -12.315 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 563 6.104 -10.624 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 563 6.464 -10.261 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.172 -11.861 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 8.820 -10.115 -0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 8.689 -11.068 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 7.983 -9.525 -2.008 1.00 0.00 H new ATOM 1642 N THR A 564 3.348 -12.223 1.806 1.00 0.00 N ATOM 1643 CA THR A 564 3.045 -11.322 2.914 1.00 0.00 C ATOM 1644 C THR A 564 4.082 -11.441 4.031 1.00 0.00 C ATOM 1645 O THR A 564 4.829 -10.505 4.290 1.00 0.00 O ATOM 1646 CB THR A 564 1.634 -11.580 3.437 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.278 -10.617 4.403 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.448 -12.933 4.062 1.00 0.00 C ATOM 0 H THR A 564 2.568 -12.811 1.513 1.00 0.00 H new ATOM 0 HA THR A 564 3.090 -10.299 2.542 1.00 0.00 H new ATOM 0 HB THR A 564 0.997 -11.523 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.520 -10.946 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.419 -13.036 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 564 1.662 -13.707 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.127 -13.039 4.908 1.00 0.00 H new ATOM 1656 N GLN A 565 4.145 -12.597 4.672 1.00 0.00 N ATOM 1657 CA GLN A 565 5.102 -12.835 5.741 1.00 0.00 C ATOM 1658 C GLN A 565 6.509 -12.416 5.321 1.00 0.00 C ATOM 1659 O GLN A 565 7.220 -11.752 6.073 1.00 0.00 O ATOM 1660 CB GLN A 565 5.096 -14.313 6.139 1.00 0.00 C ATOM 1661 CG GLN A 565 5.656 -14.570 7.527 1.00 0.00 C ATOM 1662 CD GLN A 565 4.795 -13.975 8.624 1.00 0.00 C ATOM 1663 OE1 GLN A 565 3.955 -14.658 9.210 1.00 0.00 O ATOM 1664 NE2 GLN A 565 4.998 -12.694 8.906 1.00 0.00 N ATOM 0 H GLN A 565 3.539 -13.392 4.468 1.00 0.00 H new ATOM 0 HA GLN A 565 4.805 -12.232 6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.074 -14.689 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 565 5.677 -14.879 5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 565 5.747 -15.645 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 565 6.661 -14.152 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 565 5.705 -12.165 8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 565 4.447 -12.238 9.633 1.00 0.00 H new ATOM 1673 N GLU A 566 6.911 -12.830 4.123 1.00 0.00 N ATOM 1674 CA GLU A 566 8.244 -12.519 3.613 1.00 0.00 C ATOM 1675 C GLU A 566 8.582 -11.032 3.746 1.00 0.00 C ATOM 1676 O GLU A 566 9.609 -10.674 4.323 1.00 0.00 O ATOM 1677 CB GLU A 566 8.355 -12.949 2.145 1.00 0.00 C ATOM 1678 CG GLU A 566 9.554 -12.354 1.415 1.00 0.00 C ATOM 1679 CD GLU A 566 10.177 -13.325 0.431 1.00 0.00 C ATOM 1680 OE1 GLU A 566 10.817 -14.298 0.882 1.00 0.00 O ATOM 1681 OE2 GLU A 566 10.023 -13.113 -0.790 1.00 0.00 O ATOM 0 H GLU A 566 6.334 -13.381 3.487 1.00 0.00 H new ATOM 0 HA GLU A 566 8.962 -13.073 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.417 -14.036 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 566 7.444 -12.659 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.242 -11.454 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.305 -12.050 2.144 1.00 0.00 H new ATOM 1688 N PHE A 567 7.738 -10.172 3.187 1.00 0.00 N ATOM 1689 CA PHE A 567 7.986 -8.736 3.224 1.00 0.00 C ATOM 1690 C PHE A 567 7.235 -8.043 4.360 1.00 0.00 C ATOM 1691 O PHE A 567 7.772 -7.180 5.047 1.00 0.00 O ATOM 1692 CB PHE A 567 7.622 -8.113 1.867 1.00 0.00 C ATOM 1693 CG PHE A 567 6.251 -7.493 1.807 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.116 -8.286 1.800 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.100 -6.117 1.757 1.00 0.00 C ATOM 1696 CE1 PHE A 567 3.858 -7.720 1.745 1.00 0.00 C ATOM 1697 CE2 PHE A 567 4.846 -5.545 1.702 1.00 0.00 C ATOM 1698 CZ PHE A 567 3.724 -6.348 1.695 1.00 0.00 C ATOM 0 H PHE A 567 6.881 -10.442 2.705 1.00 0.00 H new ATOM 0 HA PHE A 567 9.048 -8.587 3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 567 8.362 -7.351 1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 567 7.692 -8.883 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.216 -9.361 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 567 6.975 -5.484 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 567 2.981 -8.350 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 567 4.743 -4.471 1.664 1.00 0.00 H new ATOM 0 HZ PHE A 567 2.741 -5.903 1.650 1.00 0.00 H new ATOM 1708 N ILE A 568 5.993 -8.432 4.537 1.00 0.00 N ATOM 1709 CA ILE A 568 5.117 -7.880 5.563 1.00 0.00 C ATOM 1710 C ILE A 568 5.612 -8.092 6.966 1.00 0.00 C ATOM 1711 O ILE A 568 4.893 -7.799 7.918 1.00 0.00 O ATOM 1712 CB ILE A 568 3.662 -8.359 5.414 1.00 0.00 C ATOM 1713 CG1 ILE A 568 2.720 -7.170 5.532 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.298 -9.435 6.437 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.054 -6.041 4.582 1.00 0.00 C ATOM 0 H ILE A 568 5.549 -9.152 3.967 1.00 0.00 H new ATOM 0 HA ILE A 568 5.136 -6.804 5.391 1.00 0.00 H new ATOM 0 HB ILE A 568 3.559 -8.813 4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 568 1.700 -7.504 5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 568 2.748 -6.794 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.262 -9.740 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 568 3.952 -10.297 6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.420 -9.036 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.343 -5.227 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.062 -5.680 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 568 2.998 -6.401 3.555 1.00 0.00 H new ATOM 1727 N ILE A 569 6.824 -8.566 7.124 1.00 0.00 N ATOM 1728 CA ILE A 569 7.325 -8.739 8.465 1.00 0.00 C ATOM 1729 C ILE A 569 7.153 -7.378 9.098 1.00 0.00 C ATOM 1730 O ILE A 569 6.640 -7.247 10.208 1.00 0.00 O ATOM 1731 CB ILE A 569 8.811 -9.136 8.476 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.627 -8.166 7.598 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.974 -10.577 8.010 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.905 -8.758 7.042 1.00 0.00 C ATOM 0 H ILE A 569 7.461 -8.830 6.372 1.00 0.00 H new ATOM 0 HA ILE A 569 6.798 -9.535 8.991 1.00 0.00 H new ATOM 0 HB ILE A 569 9.192 -9.068 9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.003 -7.832 6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.875 -7.282 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 569 10.030 -10.846 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.423 -11.240 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.586 -10.678 6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.419 -8.011 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 569 11.551 -9.066 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.666 -9.624 6.425 1.00 0.00 H new ATOM 1746 N ASP A 570 7.453 -6.368 8.286 1.00 0.00 N ATOM 1747 CA ASP A 570 7.202 -4.982 8.627 1.00 0.00 C ATOM 1748 C ASP A 570 7.320 -4.694 10.104 1.00 0.00 C ATOM 1749 O ASP A 570 6.360 -4.192 10.695 1.00 0.00 O ATOM 1750 CB ASP A 570 5.808 -4.588 8.144 1.00 0.00 C ATOM 1751 CG ASP A 570 4.707 -5.421 8.783 1.00 0.00 C ATOM 1752 OD1 ASP A 570 4.836 -5.780 9.970 1.00 0.00 O ATOM 1753 OD2 ASP A 570 3.707 -5.704 8.093 1.00 0.00 O ATOM 0 H ASP A 570 7.880 -6.495 7.368 1.00 0.00 H new ATOM 0 HA ASP A 570 7.972 -4.391 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.636 -3.535 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 570 5.759 -4.698 7.061 1.00 0.00 H new ATOM 1758 N GLY A 571 8.447 -4.977 10.732 1.00 0.00 N ATOM 1759 CA GLY A 571 8.501 -4.673 12.139 1.00 0.00 C ATOM 1760 C GLY A 571 8.069 -3.244 12.338 1.00 0.00 C ATOM 1761 O GLY A 571 7.228 -2.950 13.188 1.00 0.00 O ATOM 0 H GLY A 571 9.284 -5.390 10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 571 7.850 -5.346 12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.512 -4.819 12.519 1.00 0.00 H new ATOM 1765 N ASP A 572 8.589 -2.363 11.490 1.00 0.00 N ATOM 1766 CA ASP A 572 8.187 -0.977 11.520 1.00 0.00 C ATOM 1767 C ASP A 572 7.573 -0.507 10.192 1.00 0.00 C ATOM 1768 O ASP A 572 6.979 0.572 10.152 1.00 0.00 O ATOM 1769 CB ASP A 572 9.385 -0.093 11.869 1.00 0.00 C ATOM 1770 CG ASP A 572 9.943 -0.391 13.247 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.706 -1.509 13.754 1.00 0.00 O ATOM 1772 OD2 ASP A 572 10.615 0.491 13.820 1.00 0.00 O ATOM 0 H ASP A 572 9.285 -2.590 10.780 1.00 0.00 H new ATOM 0 HA ASP A 572 7.416 -0.888 12.285 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.168 -0.237 11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.087 0.954 11.820 1.00 0.00 H new ATOM 1777 N LEU A 573 7.756 -1.256 9.080 1.00 0.00 N ATOM 1778 CA LEU A 573 7.238 -0.767 7.804 1.00 0.00 C ATOM 1779 C LEU A 573 6.601 -1.788 6.887 1.00 0.00 C ATOM 1780 O LEU A 573 7.128 -2.868 6.641 1.00 0.00 O ATOM 1781 CB LEU A 573 8.340 -0.053 7.036 1.00 0.00 C ATOM 1782 CG LEU A 573 7.851 0.922 5.963 1.00 0.00 C ATOM 1783 CD1 LEU A 573 7.889 2.351 6.481 1.00 0.00 C ATOM 1784 CD2 LEU A 573 8.689 0.789 4.700 1.00 0.00 C ATOM 0 H LEU A 573 8.235 -2.156 9.047 1.00 0.00 H new ATOM 0 HA LEU A 573 6.427 -0.101 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 573 8.962 0.493 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 573 8.977 -0.801 6.563 1.00 0.00 H new ATOM 0 HG LEU A 573 6.818 0.674 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.538 3.029 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.245 2.438 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 573 8.911 2.612 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.327 1.490 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 573 9.731 1.010 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.610 -0.228 4.316 1.00 0.00 H new ATOM 1796 N LEU A 574 5.522 -1.337 6.286 1.00 0.00 N ATOM 1797 CA LEU A 574 4.830 -2.068 5.251 1.00 0.00 C ATOM 1798 C LEU A 574 4.529 -1.052 4.155 1.00 0.00 C ATOM 1799 O LEU A 574 4.036 0.036 4.454 1.00 0.00 O ATOM 1800 CB LEU A 574 3.533 -2.683 5.783 1.00 0.00 C ATOM 1801 CG LEU A 574 2.356 -2.734 4.802 1.00 0.00 C ATOM 1802 CD1 LEU A 574 2.785 -3.327 3.466 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.205 -3.528 5.405 1.00 0.00 C ATOM 0 H LEU A 574 5.095 -0.437 6.507 1.00 0.00 H new ATOM 0 HA LEU A 574 5.436 -2.895 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 574 3.747 -3.699 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.222 -2.119 6.662 1.00 0.00 H new ATOM 0 HG LEU A 574 2.015 -1.715 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 574 1.932 -3.352 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.575 -2.714 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 574 3.156 -4.340 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.375 -3.558 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 574 1.536 -4.544 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 574 0.879 -3.051 6.329 1.00 0.00 H new ATOM 1815 N ILE A 575 4.784 -1.378 2.906 1.00 0.00 N ATOM 1816 CA ILE A 575 4.484 -0.438 1.822 1.00 0.00 C ATOM 1817 C ILE A 575 3.783 -1.120 0.674 1.00 0.00 C ATOM 1818 O ILE A 575 4.178 -2.203 0.235 1.00 0.00 O ATOM 1819 CB ILE A 575 5.731 0.280 1.251 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.021 -0.270 1.856 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.631 1.779 1.485 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.262 0.483 1.427 1.00 0.00 C ATOM 0 H ILE A 575 5.190 -2.265 2.609 1.00 0.00 H new ATOM 0 HA ILE A 575 3.838 0.308 2.285 1.00 0.00 H new ATOM 0 HB ILE A 575 5.762 0.091 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 575 6.945 -0.238 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.127 -1.318 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.515 2.271 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.740 2.166 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.566 1.977 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.139 0.036 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.363 0.430 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.179 1.526 1.733 1.00 0.00 H new ATOM 1834 N LEU A 576 2.778 -0.451 0.157 1.00 0.00 N ATOM 1835 CA LEU A 576 2.047 -0.944 -0.978 1.00 0.00 C ATOM 1836 C LEU A 576 1.894 0.183 -1.965 1.00 0.00 C ATOM 1837 O LEU A 576 1.528 1.293 -1.582 1.00 0.00 O ATOM 1838 CB LEU A 576 0.656 -1.436 -0.545 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.542 -0.850 -1.326 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.823 -1.674 -2.580 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.770 -0.807 -0.437 1.00 0.00 C ATOM 0 H LEU A 576 2.448 0.446 0.513 1.00 0.00 H new ATOM 0 HA LEU A 576 2.585 -1.778 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.630 -2.522 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.523 -1.205 0.512 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.293 0.165 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.670 -1.245 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.056 -1.666 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.056 -2.700 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.609 -0.393 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -2.016 -1.816 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.568 -0.181 0.432 1.00 0.00 H new ATOM 1853 N LYS A 577 2.117 -0.082 -3.226 1.00 0.00 N ATOM 1854 CA LYS A 577 1.924 0.962 -4.209 1.00 0.00 C ATOM 1855 C LYS A 577 1.092 0.442 -5.361 1.00 0.00 C ATOM 1856 O LYS A 577 1.350 -0.640 -5.880 1.00 0.00 O ATOM 1857 CB LYS A 577 3.271 1.480 -4.713 1.00 0.00 C ATOM 1858 CG LYS A 577 3.974 2.397 -3.726 1.00 0.00 C ATOM 1859 CD LYS A 577 5.298 1.813 -3.263 1.00 0.00 C ATOM 1860 CE LYS A 577 5.539 2.076 -1.785 1.00 0.00 C ATOM 1861 NZ LYS A 577 6.986 2.014 -1.437 1.00 0.00 N ATOM 0 H LYS A 577 2.424 -0.983 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 577 1.394 1.791 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.919 0.631 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.118 2.016 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 577 4.147 3.368 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.329 2.566 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 577 5.307 0.739 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 577 6.111 2.244 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.144 3.058 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 577 4.992 1.343 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 7.205 2.747 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.208 1.078 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 7.556 2.174 -2.292 1.00 0.00 H new ATOM 1875 N LEU A 578 0.116 1.227 -5.787 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.710 0.839 -6.910 1.00 0.00 C ATOM 1877 C LEU A 578 -0.609 1.919 -7.971 1.00 0.00 C ATOM 1878 O LEU A 578 -0.740 3.120 -7.679 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.167 0.645 -6.461 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.348 -0.049 -5.099 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.261 0.765 -4.181 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.896 -1.462 -5.281 1.00 0.00 C ATOM 0 H LEU A 578 -0.120 2.129 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.365 -0.110 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.650 1.621 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.689 0.062 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.368 -0.116 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.370 0.250 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.825 1.750 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.240 0.876 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -3.016 -1.934 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.862 -1.416 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.201 -2.047 -5.884 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.381 1.475 -9.200 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.230 2.390 -10.302 1.00 0.00 C ATOM 1896 C GLY A 579 -1.528 2.747 -10.962 1.00 0.00 C ATOM 1897 O GLY A 579 -1.544 3.559 -11.887 1.00 0.00 O ATOM 0 H GLY A 579 -0.298 0.489 -9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.250 3.301 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.436 1.948 -11.043 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.629 2.169 -10.502 1.00 0.00 N ATOM 1902 CA LYS A 580 -3.893 2.507 -11.109 1.00 0.00 C ATOM 1903 C LYS A 580 -4.255 3.921 -10.706 1.00 0.00 C ATOM 1904 O LYS A 580 -4.526 4.762 -11.564 1.00 0.00 O ATOM 1905 CB LYS A 580 -5.012 1.520 -10.724 1.00 0.00 C ATOM 1906 CG LYS A 580 -4.813 0.794 -9.396 1.00 0.00 C ATOM 1907 CD LYS A 580 -5.752 1.325 -8.330 1.00 0.00 C ATOM 1908 CE LYS A 580 -5.370 0.838 -6.942 1.00 0.00 C ATOM 1909 NZ LYS A 580 -6.535 0.270 -6.207 1.00 0.00 N ATOM 0 H LYS A 580 -2.668 1.491 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.790 2.439 -12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -5.956 2.064 -10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -5.106 0.776 -11.515 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -4.983 -0.274 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -3.781 0.912 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -5.741 2.415 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -6.771 1.012 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -4.591 0.081 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -4.950 1.666 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -6.620 0.733 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -7.404 0.432 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -6.396 -0.752 -6.072 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.185 4.216 -9.410 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.430 5.574 -8.968 1.00 0.00 C ATOM 1925 C TRP A 581 -3.515 6.051 -7.839 1.00 0.00 C ATOM 1926 O TRP A 581 -2.975 7.156 -7.906 1.00 0.00 O ATOM 1927 CB TRP A 581 -5.903 5.812 -8.599 1.00 0.00 C ATOM 1928 CG TRP A 581 -6.603 4.647 -7.972 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -6.381 4.129 -6.732 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -7.662 3.873 -8.547 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -7.231 3.075 -6.500 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -8.026 2.897 -7.600 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -8.334 3.906 -9.772 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -9.033 1.966 -7.840 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -9.333 2.980 -10.008 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -9.673 2.022 -9.045 1.00 0.00 C ATOM 0 H TRP A 581 -3.966 3.549 -8.670 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.183 6.182 -9.838 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -5.956 6.658 -7.914 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.445 6.097 -9.501 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -5.644 4.494 -6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -7.264 2.516 -5.647 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.078 4.641 -10.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -9.299 1.226 -7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -9.860 2.996 -10.951 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -10.458 1.312 -9.260 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.414 5.271 -6.758 1.00 0.00 N ATOM 1948 CA LYS A 582 -2.647 5.711 -5.601 1.00 0.00 C ATOM 1949 C LYS A 582 -1.818 4.631 -4.944 1.00 0.00 C ATOM 1950 O LYS A 582 -2.045 3.432 -5.125 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.577 6.346 -4.564 1.00 0.00 C ATOM 1952 CG LYS A 582 -4.571 5.376 -3.943 1.00 0.00 C ATOM 1953 CD LYS A 582 -5.942 6.022 -3.775 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.064 4.996 -3.822 1.00 0.00 C ATOM 1955 NZ LYS A 582 -8.146 5.304 -2.846 1.00 0.00 N ATOM 0 H LYS A 582 -3.846 4.352 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 582 -1.936 6.442 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -2.972 6.787 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -4.127 7.160 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -4.659 4.489 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -4.201 5.044 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -5.978 6.555 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -6.093 6.761 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -7.482 4.963 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -6.659 4.006 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -8.279 4.493 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -7.884 6.143 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -9.032 5.491 -3.358 1.00 0.00 H new ATOM 1969 N MET A 583 -0.905 5.083 -4.106 1.00 0.00 N ATOM 1970 CA MET A 583 -0.085 4.211 -3.306 1.00 0.00 C ATOM 1971 C MET A 583 -0.531 4.372 -1.861 1.00 0.00 C ATOM 1972 O MET A 583 -0.715 5.488 -1.368 1.00 0.00 O ATOM 1973 CB MET A 583 1.405 4.565 -3.452 1.00 0.00 C ATOM 1974 CG MET A 583 2.158 4.686 -2.127 1.00 0.00 C ATOM 1975 SD MET A 583 3.858 5.245 -2.342 1.00 0.00 S ATOM 1976 CE MET A 583 3.660 7.016 -2.150 1.00 0.00 C ATOM 0 H MET A 583 -0.714 6.075 -3.964 1.00 0.00 H new ATOM 0 HA MET A 583 -0.201 3.178 -3.635 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.889 3.803 -4.063 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.491 5.508 -3.992 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.630 5.383 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.159 3.719 -1.624 1.00 0.00 H new ATOM 0 HE1 MET A 583 4.629 7.504 -2.257 1.00 0.00 H new ATOM 0 HE2 MET A 583 2.978 7.391 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 583 3.252 7.232 -1.162 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.674 3.257 -1.192 1.00 0.00 N ATOM 1987 CA LYS A 584 -1.067 3.242 0.196 1.00 0.00 C ATOM 1988 C LYS A 584 0.078 2.647 0.989 1.00 0.00 C ATOM 1989 O LYS A 584 0.643 1.623 0.615 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.362 2.412 0.323 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.620 1.767 1.679 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.491 2.762 2.813 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.637 3.749 2.814 1.00 0.00 C ATOM 1994 NZ LYS A 584 -3.373 4.906 3.714 1.00 0.00 N ATOM 0 H LYS A 584 -0.521 2.332 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.272 4.240 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -3.207 3.058 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.340 1.625 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -3.620 1.332 1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -1.915 0.950 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -2.466 2.231 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -1.547 3.299 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -3.806 4.110 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -4.550 3.245 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -4.260 5.421 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -2.990 4.562 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.684 5.544 3.266 1.00 0.00 H new ATOM 2008 N LEU A 585 0.417 3.293 2.079 1.00 0.00 N ATOM 2009 CA LEU A 585 1.493 2.844 2.923 1.00 0.00 C ATOM 2010 C LEU A 585 0.948 2.583 4.301 1.00 0.00 C ATOM 2011 O LEU A 585 0.132 3.349 4.814 1.00 0.00 O ATOM 2012 CB LEU A 585 2.593 3.899 2.971 1.00 0.00 C ATOM 2013 CG LEU A 585 3.922 3.421 3.552 1.00 0.00 C ATOM 2014 CD1 LEU A 585 5.067 4.259 3.010 1.00 0.00 C ATOM 2015 CD2 LEU A 585 3.895 3.471 5.074 1.00 0.00 C ATOM 0 H LEU A 585 -0.045 4.142 2.403 1.00 0.00 H new ATOM 0 HA LEU A 585 1.923 1.925 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 585 2.767 4.267 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.239 4.744 3.561 1.00 0.00 H new ATOM 0 HG LEU A 585 4.077 2.385 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 585 6.008 3.907 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 585 5.101 4.169 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 585 4.915 5.303 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 585 4.852 3.126 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 585 3.716 4.495 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.097 2.827 5.445 1.00 0.00 H new ATOM 2027 N VAL A 586 1.371 1.492 4.885 1.00 0.00 N ATOM 2028 CA VAL A 586 0.891 1.121 6.189 1.00 0.00 C ATOM 2029 C VAL A 586 2.032 0.744 7.125 1.00 0.00 C ATOM 2030 O VAL A 586 2.936 0.002 6.747 1.00 0.00 O ATOM 2031 CB VAL A 586 -0.090 -0.065 6.063 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.423 -0.653 7.426 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.356 0.366 5.337 1.00 0.00 C ATOM 0 H VAL A 586 2.047 0.846 4.478 1.00 0.00 H new ATOM 0 HA VAL A 586 0.381 1.985 6.615 1.00 0.00 H new ATOM 0 HB VAL A 586 0.397 -0.844 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -1.116 -1.486 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.491 -1.008 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.883 0.113 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -2.036 -0.482 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.840 1.168 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.100 0.721 4.339 1.00 0.00 H new ATOM 2043 N SER A 587 1.958 1.215 8.365 1.00 0.00 N ATOM 2044 CA SER A 587 2.961 0.867 9.361 1.00 0.00 C ATOM 2045 C SER A 587 2.305 -0.100 10.330 1.00 0.00 C ATOM 2046 O SER A 587 1.160 0.111 10.731 1.00 0.00 O ATOM 2047 CB SER A 587 3.455 2.113 10.098 1.00 0.00 C ATOM 2048 OG SER A 587 4.599 2.661 9.466 1.00 0.00 O ATOM 0 H SER A 587 1.220 1.834 8.701 1.00 0.00 H new ATOM 0 HA SER A 587 3.831 0.413 8.886 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.661 2.859 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 587 3.694 1.858 11.130 1.00 0.00 H new ATOM 0 HG SER A 587 5.375 2.090 9.643 1.00 0.00 H new ATOM 2054 N ILE A 588 2.990 -1.177 10.676 1.00 0.00 N ATOM 2055 CA ILE A 588 2.398 -2.161 11.559 1.00 0.00 C ATOM 2056 C ILE A 588 3.340 -2.647 12.640 1.00 0.00 C ATOM 2057 O ILE A 588 4.505 -2.958 12.390 1.00 0.00 O ATOM 2058 CB ILE A 588 1.829 -3.362 10.762 1.00 0.00 C ATOM 2059 CG1 ILE A 588 1.959 -3.146 9.254 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.369 -3.557 11.112 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.376 -2.930 8.790 1.00 0.00 C ATOM 0 H ILE A 588 3.938 -1.388 10.365 1.00 0.00 H new ATOM 0 HA ILE A 588 1.580 -1.647 12.064 1.00 0.00 H new ATOM 0 HB ILE A 588 2.405 -4.247 11.033 1.00 0.00 H new ATOM 0 HG12 ILE A 588 1.545 -4.011 8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 588 1.357 -2.284 8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 588 -0.030 -4.402 10.551 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.274 -3.753 12.180 1.00 0.00 H new ATOM 0 HG23 ILE A 588 -0.190 -2.656 10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 588 3.387 -2.784 7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 588 3.789 -2.048 9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 588 3.979 -3.802 9.045 1.00 0.00 H new ATOM 2073 N VAL A 589 2.796 -2.740 13.842 1.00 0.00 N ATOM 2074 CA VAL A 589 3.545 -3.224 14.990 1.00 0.00 C ATOM 2075 C VAL A 589 2.735 -4.246 15.777 1.00 0.00 C ATOM 2076 O VAL A 589 1.542 -4.058 16.015 1.00 0.00 O ATOM 2077 CB VAL A 589 3.963 -2.075 15.926 1.00 0.00 C ATOM 2078 CG1 VAL A 589 5.104 -1.276 15.316 1.00 0.00 C ATOM 2079 CG2 VAL A 589 2.773 -1.176 16.230 1.00 0.00 C ATOM 0 H VAL A 589 1.830 -2.484 14.049 1.00 0.00 H new ATOM 0 HA VAL A 589 4.446 -3.698 14.601 1.00 0.00 H new ATOM 0 HB VAL A 589 4.314 -2.504 16.864 1.00 0.00 H new ATOM 0 HG11 VAL A 589 5.385 -0.469 15.992 1.00 0.00 H new ATOM 0 HG12 VAL A 589 5.961 -1.930 15.156 1.00 0.00 H new ATOM 0 HG13 VAL A 589 4.785 -0.856 14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.086 -0.369 16.893 1.00 0.00 H new ATOM 0 HG22 VAL A 589 2.389 -0.754 15.301 1.00 0.00 H new ATOM 0 HG23 VAL A 589 1.990 -1.760 16.714 1.00 0.00 H new ATOM 2089 N SER A 590 3.394 -5.324 16.185 1.00 0.00 N ATOM 2090 CA SER A 590 2.737 -6.374 16.953 1.00 0.00 C ATOM 2091 C SER A 590 2.681 -6.002 18.429 1.00 0.00 C ATOM 2092 O SER A 590 3.414 -5.125 18.883 1.00 0.00 O ATOM 2093 CB SER A 590 3.473 -7.704 16.775 1.00 0.00 C ATOM 2094 OG SER A 590 2.889 -8.475 15.740 1.00 0.00 O ATOM 0 H SER A 590 4.382 -5.494 15.997 1.00 0.00 H new ATOM 0 HA SER A 590 1.718 -6.483 16.582 1.00 0.00 H new ATOM 0 HB2 SER A 590 4.522 -7.515 16.545 1.00 0.00 H new ATOM 0 HB3 SER A 590 3.448 -8.265 17.709 1.00 0.00 H new ATOM 0 HG SER A 590 3.378 -9.319 15.645 1.00 0.00 H new