USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 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 577 LYS NZ :NH3+ 160:sc= -0.0471 (180deg=-0.62) USER MOD Set 1.2: A 583 MET CE :methyl 151:sc= -1.21 (180deg=-2.41!) USER MOD Set 2.1: A 503 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 558 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 560 ASN : amide:sc= -1.97! C(o=-0.85!,f=-19!) USER MOD Set 3.1: A 522 GLN : amide:sc= -0.17 K(o=-0.24,f=-1.3!) USER MOD Set 3.2: A 526 ASN :FLIP amide:sc= -0.068 F(o=-0.87,f=-0.24) USER MOD Single : A 494 THR OG1 : rot 180:sc= 0 USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 96:sc= -2.32! USER MOD Single : A 506 SER OG : rot -13:sc= 1.18 USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 SER OG : rot 94:sc= 1.42 USER MOD Single : A 517 SER OG : rot 180:sc= -4.43! USER MOD Single : A 518 LYS NZ :NH3+ -155:sc= -1.09 (180deg=-1.67!) USER MOD Single : A 519 SER OG : rot -160:sc= -0.955 USER MOD Single : A 527 ASN :FLIP amide:sc= -3.12 F(o=-4.5!,f=-3.1) USER MOD Single : A 528 ASN :FLIP amide:sc= -1.25 F(o=-1.9,f=-1.3) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot -130:sc= 0.107 USER MOD Single : A 552 THR OG1 : rot -71:sc= -5.36! USER MOD Single : A 554 THR OG1 : rot -133:sc= 0.532 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.126) USER MOD Single : A 564 THR OG1 : rot 137:sc= 0.991 USER MOD Single : A 565 GLN : amide:sc= -4.18! C(o=-4.2!,f=-5.5!) USER MOD Single : A 580 LYS NZ :NH3+ -143:sc= -4.35! (180deg=-7.1!) USER MOD Single : A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 LYS NZ :NH3+ -126:sc= -10.3! (180deg=-15.2!) USER MOD Single : A 587 SER OG : rot 180:sc= 0 USER MOD Single : A 590 SER OG : rot 180:sc= 0.0335 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -0.441 8.843 0.582 1.00 0.00 N ATOM 524 CA ALA A 491 -1.207 8.472 1.774 1.00 0.00 C ATOM 525 C ALA A 491 -0.467 7.485 2.673 1.00 0.00 C ATOM 526 O ALA A 491 0.146 6.532 2.196 1.00 0.00 O ATOM 527 CB ALA A 491 -2.552 7.895 1.364 1.00 0.00 C ATOM 0 HA ALA A 491 -1.352 9.382 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.117 7.621 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.109 8.640 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.395 7.010 0.747 1.00 0.00 H new ATOM 533 N ARG A 492 -0.574 7.697 3.985 1.00 0.00 N ATOM 534 CA ARG A 492 0.032 6.803 4.965 1.00 0.00 C ATOM 535 C ARG A 492 -0.972 6.499 6.076 1.00 0.00 C ATOM 536 O ARG A 492 -1.615 7.404 6.608 1.00 0.00 O ATOM 537 CB ARG A 492 1.290 7.446 5.560 1.00 0.00 C ATOM 538 CG ARG A 492 2.484 6.506 5.638 1.00 0.00 C ATOM 539 CD ARG A 492 2.208 5.315 6.543 1.00 0.00 C ATOM 540 NE ARG A 492 3.036 5.338 7.748 1.00 0.00 N ATOM 541 CZ ARG A 492 2.702 5.974 8.870 1.00 0.00 C ATOM 542 NH1 ARG A 492 1.558 6.641 8.951 1.00 0.00 N ATOM 543 NH2 ARG A 492 3.516 5.942 9.916 1.00 0.00 N ATOM 0 H ARG A 492 -1.078 8.485 4.392 1.00 0.00 H new ATOM 0 HA ARG A 492 0.313 5.873 4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.562 8.314 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 492 1.061 7.811 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 492 2.734 6.152 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 492 3.352 7.051 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.156 5.312 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.393 4.392 5.994 1.00 0.00 H new ATOM 0 HE ARG A 492 3.924 4.836 7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.927 6.670 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.310 7.125 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 492 4.397 5.431 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 492 3.261 6.429 10.776 1.00 0.00 H new ATOM 557 N VAL A 493 -1.096 5.228 6.424 1.00 0.00 N ATOM 558 CA VAL A 493 -2.008 4.803 7.474 1.00 0.00 C ATOM 559 C VAL A 493 -1.375 3.760 8.401 1.00 0.00 C ATOM 560 O VAL A 493 -0.382 3.118 8.045 1.00 0.00 O ATOM 561 CB VAL A 493 -3.303 4.233 6.879 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.293 3.877 7.977 1.00 0.00 C ATOM 563 CG2 VAL A 493 -3.909 5.227 5.900 1.00 0.00 C ATOM 0 H VAL A 493 -0.572 4.468 5.991 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.238 5.691 8.064 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.065 3.317 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.203 3.475 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -3.852 3.130 8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.535 4.771 8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -4.827 4.813 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.134 6.159 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.201 5.422 5.095 1.00 0.00 H new ATOM 573 N THR A 494 -1.983 3.554 9.573 1.00 0.00 N ATOM 574 CA THR A 494 -1.495 2.540 10.499 1.00 0.00 C ATOM 575 C THR A 494 -2.565 1.467 10.717 1.00 0.00 C ATOM 576 O THR A 494 -3.739 1.772 10.928 1.00 0.00 O ATOM 577 CB THR A 494 -1.109 3.177 11.835 1.00 0.00 C ATOM 578 OG1 THR A 494 -2.166 3.978 12.333 1.00 0.00 O ATOM 579 CG2 THR A 494 0.125 4.048 11.748 1.00 0.00 C ATOM 0 H THR A 494 -2.802 4.070 9.896 1.00 0.00 H new ATOM 0 HA THR A 494 -0.609 2.074 10.068 1.00 0.00 H new ATOM 0 HB THR A 494 -0.898 2.342 12.503 1.00 0.00 H new ATOM 0 HG1 THR A 494 -1.900 4.375 13.189 1.00 0.00 H new ATOM 0 HG21 THR A 494 0.343 4.469 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 494 0.971 3.448 11.414 1.00 0.00 H new ATOM 0 HG23 THR A 494 -0.049 4.856 11.038 1.00 0.00 H new ATOM 587 N LEU A 495 -2.138 0.210 10.662 1.00 0.00 N ATOM 588 CA LEU A 495 -3.024 -0.939 10.848 1.00 0.00 C ATOM 589 C LEU A 495 -2.375 -1.967 11.774 1.00 0.00 C ATOM 590 O LEU A 495 -1.171 -1.918 12.005 1.00 0.00 O ATOM 591 CB LEU A 495 -3.383 -1.563 9.485 1.00 0.00 C ATOM 592 CG LEU A 495 -2.751 -2.934 9.161 1.00 0.00 C ATOM 593 CD1 LEU A 495 -3.828 -3.996 8.979 1.00 0.00 C ATOM 594 CD2 LEU A 495 -1.879 -2.843 7.916 1.00 0.00 C ATOM 0 H LEU A 495 -1.166 -0.044 10.487 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.948 -0.601 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.467 -1.667 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.093 -0.861 8.703 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.122 -3.224 10.003 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.360 -4.954 8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -4.410 -4.085 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.486 -3.710 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.443 -3.819 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -2.487 -2.526 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.082 -2.118 8.082 1.00 0.00 H new ATOM 606 N PRO A 496 -3.156 -2.923 12.309 1.00 0.00 N ATOM 607 CA PRO A 496 -2.617 -3.970 13.182 1.00 0.00 C ATOM 608 C PRO A 496 -1.737 -4.950 12.395 1.00 0.00 C ATOM 609 O PRO A 496 -2.197 -5.588 11.449 1.00 0.00 O ATOM 610 CB PRO A 496 -3.869 -4.684 13.719 1.00 0.00 C ATOM 611 CG PRO A 496 -5.027 -3.821 13.328 1.00 0.00 C ATOM 612 CD PRO A 496 -4.598 -3.075 12.098 1.00 0.00 C ATOM 0 HA PRO A 496 -1.984 -3.566 13.972 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.963 -5.683 13.292 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.818 -4.803 14.801 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.912 -4.425 13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -5.287 -3.131 14.131 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.819 -3.632 11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -5.100 -2.111 12.012 1.00 0.00 H new ATOM 620 N LYS A 497 -0.465 -5.040 12.777 1.00 0.00 N ATOM 621 CA LYS A 497 0.505 -5.909 12.102 1.00 0.00 C ATOM 622 C LYS A 497 0.091 -7.381 12.072 1.00 0.00 C ATOM 623 O LYS A 497 0.488 -8.123 11.174 1.00 0.00 O ATOM 624 CB LYS A 497 1.859 -5.800 12.806 1.00 0.00 C ATOM 625 CG LYS A 497 3.011 -6.392 12.009 1.00 0.00 C ATOM 626 CD LYS A 497 3.814 -7.383 12.838 1.00 0.00 C ATOM 627 CE LYS A 497 3.281 -8.798 12.685 1.00 0.00 C ATOM 628 NZ LYS A 497 4.119 -9.789 13.415 1.00 0.00 N ATOM 0 H LYS A 497 -0.075 -4.516 13.560 1.00 0.00 H new ATOM 0 HA LYS A 497 0.559 -5.566 11.069 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.070 -4.750 13.008 1.00 0.00 H new ATOM 0 HB3 LYS A 497 1.799 -6.304 13.770 1.00 0.00 H new ATOM 0 HG2 LYS A 497 2.622 -6.891 11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 497 3.665 -5.591 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 497 4.860 -7.352 12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 497 3.780 -7.092 13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 497 2.258 -8.843 13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 497 3.246 -9.061 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 3.722 -10.742 13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 5.089 -9.765 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 4.132 -9.554 14.428 1.00 0.00 H new ATOM 642 N SER A 498 -0.647 -7.814 13.079 1.00 0.00 N ATOM 643 CA SER A 498 -1.042 -9.220 13.190 1.00 0.00 C ATOM 644 C SER A 498 -1.857 -9.746 12.000 1.00 0.00 C ATOM 645 O SER A 498 -1.565 -10.823 11.482 1.00 0.00 O ATOM 646 CB SER A 498 -1.835 -9.433 14.479 1.00 0.00 C ATOM 647 OG SER A 498 -1.508 -10.672 15.082 1.00 0.00 O ATOM 0 H SER A 498 -0.988 -7.219 13.834 1.00 0.00 H new ATOM 0 HA SER A 498 -0.113 -9.789 13.199 1.00 0.00 H new ATOM 0 HB2 SER A 498 -1.627 -8.621 15.175 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.903 -9.402 14.262 1.00 0.00 H new ATOM 0 HG SER A 498 -2.028 -10.782 15.905 1.00 0.00 H new ATOM 653 N LEU A 499 -2.890 -9.020 11.586 1.00 0.00 N ATOM 654 CA LEU A 499 -3.740 -9.473 10.480 1.00 0.00 C ATOM 655 C LEU A 499 -3.071 -9.333 9.114 1.00 0.00 C ATOM 656 O LEU A 499 -3.585 -9.835 8.114 1.00 0.00 O ATOM 657 CB LEU A 499 -5.044 -8.684 10.481 1.00 0.00 C ATOM 658 CG LEU A 499 -4.872 -7.193 10.191 1.00 0.00 C ATOM 659 CD1 LEU A 499 -5.383 -6.855 8.799 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.582 -6.354 11.243 1.00 0.00 C ATOM 0 H LEU A 499 -3.161 -8.124 11.992 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.927 -10.535 10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.716 -9.113 9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -5.526 -8.801 11.452 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.808 -6.959 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -5.252 -5.789 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.823 -7.425 8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -6.441 -7.108 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.447 -5.296 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.646 -6.592 11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -5.163 -6.572 12.225 1.00 0.00 H new ATOM 672 N VAL A 500 -1.939 -8.650 9.065 1.00 0.00 N ATOM 673 CA VAL A 500 -1.226 -8.447 7.811 1.00 0.00 C ATOM 674 C VAL A 500 -0.471 -9.698 7.378 1.00 0.00 C ATOM 675 O VAL A 500 -0.200 -9.905 6.195 1.00 0.00 O ATOM 676 CB VAL A 500 -0.234 -7.279 7.925 1.00 0.00 C ATOM 677 CG1 VAL A 500 0.345 -6.943 6.562 1.00 0.00 C ATOM 678 CG2 VAL A 500 -0.909 -6.064 8.539 1.00 0.00 C ATOM 0 H VAL A 500 -1.493 -8.226 9.878 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.980 -8.216 7.058 1.00 0.00 H new ATOM 0 HB VAL A 500 0.584 -7.580 8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.046 -6.114 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.866 -7.814 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.460 -6.660 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -0.191 -5.247 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.746 -5.757 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -1.275 -6.315 9.535 1.00 0.00 H new ATOM 688 N TYR A 501 -0.104 -10.497 8.361 1.00 0.00 N ATOM 689 CA TYR A 501 0.668 -11.715 8.153 1.00 0.00 C ATOM 690 C TYR A 501 0.060 -12.693 7.136 1.00 0.00 C ATOM 691 O TYR A 501 0.792 -13.472 6.536 1.00 0.00 O ATOM 692 CB TYR A 501 0.877 -12.425 9.495 1.00 0.00 C ATOM 693 CG TYR A 501 -0.226 -13.396 9.850 1.00 0.00 C ATOM 694 CD1 TYR A 501 -1.554 -12.996 9.836 1.00 0.00 C ATOM 695 CD2 TYR A 501 0.062 -14.711 10.188 1.00 0.00 C ATOM 696 CE1 TYR A 501 -2.567 -13.878 10.151 1.00 0.00 C ATOM 697 CE2 TYR A 501 -0.946 -15.601 10.503 1.00 0.00 C ATOM 698 CZ TYR A 501 -2.259 -15.181 10.484 1.00 0.00 C ATOM 699 OH TYR A 501 -3.266 -16.064 10.797 1.00 0.00 O ATOM 0 H TYR A 501 -0.334 -10.320 9.339 1.00 0.00 H new ATOM 0 HA TYR A 501 1.618 -11.397 7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 501 1.826 -12.961 9.468 1.00 0.00 H new ATOM 0 HB3 TYR A 501 0.957 -11.676 10.283 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -1.799 -11.977 9.574 1.00 0.00 H new ATOM 0 HD2 TYR A 501 1.090 -15.043 10.205 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -3.596 -13.550 10.137 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -0.707 -16.622 10.763 1.00 0.00 H new ATOM 0 HH TYR A 501 -2.880 -16.940 11.007 1.00 0.00 H new ATOM 709 N ASP A 502 -1.262 -12.734 7.004 1.00 0.00 N ATOM 710 CA ASP A 502 -1.884 -13.722 6.110 1.00 0.00 C ATOM 711 C ASP A 502 -1.770 -13.394 4.612 1.00 0.00 C ATOM 712 O ASP A 502 -1.323 -14.241 3.838 1.00 0.00 O ATOM 713 CB ASP A 502 -3.358 -13.888 6.477 1.00 0.00 C ATOM 714 CG ASP A 502 -3.844 -15.311 6.290 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.334 -15.997 5.379 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.735 -15.741 7.052 1.00 0.00 O ATOM 0 H ASP A 502 -1.914 -12.116 7.487 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.327 -14.647 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.507 -13.590 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -3.960 -13.218 5.863 1.00 0.00 H new ATOM 721 N LYS A 503 -2.145 -12.185 4.189 1.00 0.00 N ATOM 722 CA LYS A 503 -2.034 -11.820 2.784 1.00 0.00 C ATOM 723 C LYS A 503 -1.133 -10.614 2.617 1.00 0.00 C ATOM 724 O LYS A 503 -1.144 -9.691 3.433 1.00 0.00 O ATOM 725 CB LYS A 503 -3.399 -11.594 2.143 1.00 0.00 C ATOM 726 CG LYS A 503 -3.621 -12.422 0.888 1.00 0.00 C ATOM 727 CD LYS A 503 -3.050 -11.733 -0.343 1.00 0.00 C ATOM 728 CE LYS A 503 -4.093 -11.588 -1.440 1.00 0.00 C ATOM 729 NZ LYS A 503 -3.891 -12.576 -2.534 1.00 0.00 N ATOM 0 H LYS A 503 -2.522 -11.455 4.793 1.00 0.00 H new ATOM 0 HA LYS A 503 -1.578 -12.659 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.177 -11.832 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.506 -10.538 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -3.154 -13.400 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -4.688 -12.594 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -2.673 -10.748 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -2.202 -12.305 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -5.088 -11.717 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -4.050 -10.579 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -4.798 -12.759 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -3.210 -12.197 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -3.523 -13.464 -2.136 1.00 0.00 H new ATOM 743 N THR A 504 -0.334 -10.649 1.579 1.00 0.00 N ATOM 744 CA THR A 504 0.617 -9.579 1.308 1.00 0.00 C ATOM 745 C THR A 504 -0.012 -8.273 0.801 1.00 0.00 C ATOM 746 O THR A 504 -0.058 -7.281 1.524 1.00 0.00 O ATOM 747 CB THR A 504 1.633 -10.066 0.284 1.00 0.00 C ATOM 748 OG1 THR A 504 2.011 -11.405 0.547 1.00 0.00 O ATOM 749 CG2 THR A 504 2.893 -9.229 0.235 1.00 0.00 C ATOM 0 H THR A 504 -0.318 -11.409 0.899 1.00 0.00 H new ATOM 0 HA THR A 504 1.080 -9.340 2.265 1.00 0.00 H new ATOM 0 HB THR A 504 1.129 -9.981 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.478 -12.011 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.570 -9.635 -0.516 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.637 -8.202 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.380 -9.247 1.210 1.00 0.00 H new ATOM 757 N PHE A 505 -0.443 -8.262 -0.462 1.00 0.00 N ATOM 758 CA PHE A 505 -1.006 -7.057 -1.074 1.00 0.00 C ATOM 759 C PHE A 505 -2.406 -6.692 -0.589 1.00 0.00 C ATOM 760 O PHE A 505 -2.639 -5.571 -0.141 1.00 0.00 O ATOM 761 CB PHE A 505 -0.976 -7.152 -2.604 1.00 0.00 C ATOM 762 CG PHE A 505 -0.323 -5.963 -3.247 1.00 0.00 C ATOM 763 CD1 PHE A 505 1.056 -5.828 -3.248 1.00 0.00 C ATOM 764 CD2 PHE A 505 -1.087 -4.978 -3.849 1.00 0.00 C ATOM 765 CE1 PHE A 505 1.658 -4.733 -3.838 1.00 0.00 C ATOM 766 CE2 PHE A 505 -0.490 -3.884 -4.442 1.00 0.00 C ATOM 767 CZ PHE A 505 0.884 -3.762 -4.436 1.00 0.00 C ATOM 0 H PHE A 505 -0.413 -9.073 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.360 -6.244 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.443 -8.056 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -1.995 -7.248 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 505 1.667 -6.587 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 505 -2.163 -5.067 -3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 505 2.734 -4.638 -3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 505 -1.098 -3.124 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.353 -2.906 -4.899 1.00 0.00 H new ATOM 777 N SER A 506 -3.350 -7.608 -0.744 1.00 0.00 N ATOM 778 CA SER A 506 -4.738 -7.350 -0.392 1.00 0.00 C ATOM 779 C SER A 506 -4.925 -6.739 1.000 1.00 0.00 C ATOM 780 O SER A 506 -5.384 -5.608 1.127 1.00 0.00 O ATOM 781 CB SER A 506 -5.544 -8.646 -0.486 1.00 0.00 C ATOM 782 OG SER A 506 -6.936 -8.387 -0.425 1.00 0.00 O ATOM 0 H SER A 506 -3.178 -8.543 -1.114 1.00 0.00 H new ATOM 0 HA SER A 506 -5.098 -6.610 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.307 -9.158 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.259 -9.315 0.327 1.00 0.00 H new ATOM 0 HG SER A 506 -7.084 -7.463 -0.133 1.00 0.00 H new ATOM 788 N LYS A 507 -4.609 -7.492 2.041 1.00 0.00 N ATOM 789 CA LYS A 507 -4.823 -7.008 3.413 1.00 0.00 C ATOM 790 C LYS A 507 -4.274 -5.612 3.619 1.00 0.00 C ATOM 791 O LYS A 507 -4.995 -4.706 4.038 1.00 0.00 O ATOM 792 CB LYS A 507 -4.177 -7.934 4.442 1.00 0.00 C ATOM 793 CG LYS A 507 -4.047 -9.362 3.973 1.00 0.00 C ATOM 794 CD LYS A 507 -5.385 -9.909 3.499 1.00 0.00 C ATOM 795 CE LYS A 507 -5.883 -11.032 4.397 1.00 0.00 C ATOM 796 NZ LYS A 507 -6.549 -10.510 5.621 1.00 0.00 N ATOM 0 H LYS A 507 -4.209 -8.428 1.975 1.00 0.00 H new ATOM 0 HA LYS A 507 -5.903 -6.993 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -3.188 -7.551 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -4.768 -7.914 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -3.321 -9.417 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -3.665 -9.981 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -6.121 -9.105 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -5.287 -10.276 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -6.582 -11.658 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -5.045 -11.667 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -6.874 -11.306 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -5.875 -9.934 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -7.365 -9.925 5.350 1.00 0.00 H new ATOM 810 N VAL A 508 -3.003 -5.445 3.340 1.00 0.00 N ATOM 811 CA VAL A 508 -2.349 -4.164 3.510 1.00 0.00 C ATOM 812 C VAL A 508 -3.120 -3.021 2.860 1.00 0.00 C ATOM 813 O VAL A 508 -3.511 -2.066 3.530 1.00 0.00 O ATOM 814 CB VAL A 508 -0.934 -4.198 2.923 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.221 -2.878 3.159 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.153 -5.354 3.520 1.00 0.00 C ATOM 0 H VAL A 508 -2.395 -6.186 2.991 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.310 -3.982 4.584 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.004 -4.348 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.782 -2.925 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -0.780 -2.072 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.152 -2.688 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.852 -5.371 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.090 -5.231 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.659 -6.292 3.291 1.00 0.00 H new ATOM 826 N LEU A 509 -3.293 -3.100 1.558 1.00 0.00 N ATOM 827 CA LEU A 509 -3.956 -2.047 0.801 1.00 0.00 C ATOM 828 C LEU A 509 -5.351 -1.651 1.298 1.00 0.00 C ATOM 829 O LEU A 509 -5.571 -0.490 1.645 1.00 0.00 O ATOM 830 CB LEU A 509 -4.000 -2.416 -0.690 1.00 0.00 C ATOM 831 CG LEU A 509 -5.039 -3.459 -1.094 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.360 -2.789 -1.420 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.544 -4.270 -2.279 1.00 0.00 C ATOM 0 H LEU A 509 -2.982 -3.889 0.992 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.346 -1.158 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.185 -1.507 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.016 -2.782 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.195 -4.138 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.091 -3.545 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.720 -2.250 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.220 -2.090 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.297 -5.009 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.362 -3.606 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.618 -4.778 -2.011 1.00 0.00 H new ATOM 845 N TRP A 510 -6.309 -2.567 1.263 1.00 0.00 N ATOM 846 CA TRP A 510 -7.680 -2.227 1.640 1.00 0.00 C ATOM 847 C TRP A 510 -7.905 -2.018 3.130 1.00 0.00 C ATOM 848 O TRP A 510 -8.506 -1.032 3.557 1.00 0.00 O ATOM 849 CB TRP A 510 -8.659 -3.288 1.120 1.00 0.00 C ATOM 850 CG TRP A 510 -8.379 -4.674 1.611 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.678 -5.644 0.960 1.00 0.00 C ATOM 852 CD2 TRP A 510 -8.816 -5.254 2.848 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.636 -6.788 1.721 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.328 -6.574 2.884 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.565 -4.785 3.931 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.565 -7.427 3.958 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -9.801 -5.634 4.996 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.302 -6.942 5.003 1.00 0.00 C ATOM 0 H TRP A 510 -6.169 -3.538 0.982 1.00 0.00 H new ATOM 0 HA TRP A 510 -7.866 -1.261 1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.671 -3.008 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.632 -3.288 0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.222 -5.531 -0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.166 -7.655 1.462 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -9.953 -3.777 3.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.180 -8.436 3.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.380 -5.282 5.837 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -9.503 -7.581 5.850 1.00 0.00 H new ATOM 869 N SER A 511 -7.473 -2.977 3.898 1.00 0.00 N ATOM 870 CA SER A 511 -7.666 -2.973 5.331 1.00 0.00 C ATOM 871 C SER A 511 -6.947 -1.841 6.028 1.00 0.00 C ATOM 872 O SER A 511 -7.484 -1.217 6.942 1.00 0.00 O ATOM 873 CB SER A 511 -7.207 -4.308 5.921 1.00 0.00 C ATOM 874 OG SER A 511 -8.029 -4.695 7.009 1.00 0.00 O ATOM 0 H SER A 511 -6.971 -3.794 3.550 1.00 0.00 H new ATOM 0 HA SER A 511 -8.733 -2.825 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.233 -5.078 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.172 -4.225 6.254 1.00 0.00 H new ATOM 0 HG SER A 511 -8.738 -5.290 6.688 1.00 0.00 H new ATOM 880 N ALA A 512 -5.696 -1.666 5.675 1.00 0.00 N ATOM 881 CA ALA A 512 -4.859 -0.709 6.352 1.00 0.00 C ATOM 882 C ALA A 512 -5.133 0.765 6.129 1.00 0.00 C ATOM 883 O ALA A 512 -5.542 1.463 7.059 1.00 0.00 O ATOM 884 CB ALA A 512 -3.407 -0.992 6.018 1.00 0.00 C ATOM 0 H ALA A 512 -5.236 -2.176 4.921 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.104 -0.861 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -2.769 -0.270 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.148 -1.999 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.259 -0.910 4.941 1.00 0.00 H new ATOM 890 N GLY A 513 -4.779 1.272 4.962 1.00 0.00 N ATOM 891 CA GLY A 513 -4.875 2.704 4.768 1.00 0.00 C ATOM 892 C GLY A 513 -5.827 3.282 3.762 1.00 0.00 C ATOM 893 O GLY A 513 -6.243 4.430 3.920 1.00 0.00 O ATOM 0 H GLY A 513 -4.436 0.738 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.126 3.142 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -3.878 3.059 4.506 1.00 0.00 H new ATOM 897 N LEU A 514 -6.032 2.611 2.648 1.00 0.00 N ATOM 898 CA LEU A 514 -6.771 3.265 1.580 1.00 0.00 C ATOM 899 C LEU A 514 -8.192 2.836 1.287 1.00 0.00 C ATOM 900 O LEU A 514 -9.015 3.712 1.009 1.00 0.00 O ATOM 901 CB LEU A 514 -5.955 3.160 0.290 1.00 0.00 C ATOM 902 CG LEU A 514 -5.013 4.337 -0.014 1.00 0.00 C ATOM 903 CD1 LEU A 514 -5.587 5.208 -1.119 1.00 0.00 C ATOM 904 CD2 LEU A 514 -4.732 5.176 1.229 1.00 0.00 C ATOM 0 H LEU A 514 -5.717 1.660 2.458 1.00 0.00 H new ATOM 0 HA LEU A 514 -6.900 4.278 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.360 2.248 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.647 3.050 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.065 3.916 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -4.907 6.036 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -5.712 4.613 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -6.554 5.601 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -4.063 5.997 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -5.668 5.579 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -4.264 4.552 1.991 1.00 0.00 H new ATOM 916 N VAL A 515 -8.513 1.553 1.192 1.00 0.00 N ATOM 917 CA VAL A 515 -9.865 1.281 0.742 1.00 0.00 C ATOM 918 C VAL A 515 -10.511 -0.055 1.159 1.00 0.00 C ATOM 919 O VAL A 515 -9.883 -0.952 1.691 1.00 0.00 O ATOM 920 CB VAL A 515 -9.846 1.470 -0.799 1.00 0.00 C ATOM 921 CG1 VAL A 515 -8.681 0.709 -1.412 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.161 1.107 -1.481 1.00 0.00 C ATOM 0 H VAL A 515 -7.917 0.751 1.399 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.523 1.980 1.258 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.712 2.537 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.682 0.852 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -7.744 1.082 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -8.781 -0.353 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -11.069 1.265 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.395 0.060 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -11.960 1.736 -1.089 1.00 0.00 H new ATOM 932 N ALA A 516 -11.802 -0.136 0.835 1.00 0.00 N ATOM 933 CA ALA A 516 -12.682 -1.279 1.040 1.00 0.00 C ATOM 934 C ALA A 516 -12.270 -2.426 0.123 1.00 0.00 C ATOM 935 O ALA A 516 -12.988 -3.412 -0.039 1.00 0.00 O ATOM 936 CB ALA A 516 -14.135 -0.893 0.807 1.00 0.00 C ATOM 0 H ALA A 516 -12.288 0.646 0.395 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.588 -1.610 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.772 -1.763 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.418 -0.104 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.257 -0.536 -0.216 1.00 0.00 H new ATOM 942 N SER A 517 -11.183 -2.186 -0.592 1.00 0.00 N ATOM 943 CA SER A 517 -10.683 -3.018 -1.640 1.00 0.00 C ATOM 944 C SER A 517 -10.365 -4.458 -1.260 1.00 0.00 C ATOM 945 O SER A 517 -9.840 -5.182 -2.101 1.00 0.00 O ATOM 946 CB SER A 517 -9.418 -2.354 -2.194 1.00 0.00 C ATOM 947 OG SER A 517 -9.636 -1.805 -3.481 1.00 0.00 O ATOM 0 H SER A 517 -10.606 -1.359 -0.438 1.00 0.00 H new ATOM 0 HA SER A 517 -11.488 -3.101 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.092 -1.568 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.613 -3.088 -2.243 1.00 0.00 H new ATOM 0 HG SER A 517 -8.810 -1.388 -3.803 1.00 0.00 H new ATOM 953 N LYS A 518 -10.714 -4.945 -0.074 1.00 0.00 N ATOM 954 CA LYS A 518 -10.459 -6.360 0.159 1.00 0.00 C ATOM 955 C LYS A 518 -10.948 -7.046 -1.116 1.00 0.00 C ATOM 956 O LYS A 518 -10.221 -7.807 -1.754 1.00 0.00 O ATOM 957 CB LYS A 518 -11.228 -6.880 1.380 1.00 0.00 C ATOM 958 CG LYS A 518 -12.674 -6.414 1.441 1.00 0.00 C ATOM 959 CD LYS A 518 -13.624 -7.471 0.899 1.00 0.00 C ATOM 960 CE LYS A 518 -14.907 -6.849 0.373 1.00 0.00 C ATOM 961 NZ LYS A 518 -15.875 -7.882 -0.092 1.00 0.00 N ATOM 0 H LYS A 518 -11.144 -4.425 0.691 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.407 -6.554 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.208 -7.970 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -10.714 -6.557 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -12.939 -6.180 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -12.785 -5.494 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.134 -8.027 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -13.861 -8.187 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -15.367 -6.247 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -14.672 -6.174 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -16.513 -7.466 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -15.357 -8.677 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -16.432 -8.225 0.717 1.00 0.00 H new ATOM 975 N SER A 519 -12.147 -6.648 -1.536 1.00 0.00 N ATOM 976 CA SER A 519 -12.718 -7.080 -2.805 1.00 0.00 C ATOM 977 C SER A 519 -12.033 -6.342 -3.975 1.00 0.00 C ATOM 978 O SER A 519 -11.434 -6.955 -4.871 1.00 0.00 O ATOM 979 CB SER A 519 -14.225 -6.823 -2.830 1.00 0.00 C ATOM 980 OG SER A 519 -14.514 -5.460 -2.567 1.00 0.00 O ATOM 0 H SER A 519 -12.748 -6.017 -1.005 1.00 0.00 H new ATOM 0 HA SER A 519 -12.548 -8.151 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.629 -7.103 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.717 -7.452 -2.088 1.00 0.00 H new ATOM 0 HG SER A 519 -15.446 -5.373 -2.276 1.00 0.00 H new ATOM 986 N GLU A 520 -12.147 -4.999 -3.951 1.00 0.00 N ATOM 987 CA GLU A 520 -11.576 -4.145 -4.991 1.00 0.00 C ATOM 988 C GLU A 520 -10.074 -4.354 -5.122 1.00 0.00 C ATOM 989 O GLU A 520 -9.546 -4.515 -6.223 1.00 0.00 O ATOM 990 CB GLU A 520 -11.915 -2.670 -4.734 1.00 0.00 C ATOM 991 CG GLU A 520 -11.229 -1.701 -5.684 1.00 0.00 C ATOM 992 CD GLU A 520 -12.057 -1.412 -6.920 1.00 0.00 C ATOM 993 OE1 GLU A 520 -12.934 -2.236 -7.255 1.00 0.00 O ATOM 994 OE2 GLU A 520 -11.828 -0.360 -7.556 1.00 0.00 O ATOM 0 H GLU A 520 -12.634 -4.488 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.026 -4.432 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.994 -2.537 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -11.637 -2.417 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -11.026 -0.767 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -10.266 -2.113 -5.985 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.404 -4.350 -3.990 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.973 -4.536 -3.938 1.00 0.00 C ATOM 1003 C GLY A 521 -7.558 -5.726 -4.738 1.00 0.00 C ATOM 1004 O GLY A 521 -6.736 -5.604 -5.633 1.00 0.00 O ATOM 0 H GLY A 521 -9.840 -4.217 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.473 -3.645 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.657 -4.661 -2.903 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.152 -6.875 -4.448 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.848 -8.088 -5.186 1.00 0.00 C ATOM 1010 C GLN A 522 -7.883 -7.781 -6.680 1.00 0.00 C ATOM 1011 O GLN A 522 -6.964 -8.131 -7.419 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.848 -9.195 -4.844 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.256 -10.309 -3.996 1.00 0.00 C ATOM 1014 CD GLN A 522 -7.874 -11.525 -4.817 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -7.861 -11.480 -6.047 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -7.561 -12.623 -4.137 1.00 0.00 N ATOM 0 H GLN A 522 -8.845 -6.991 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.854 -8.440 -4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.695 -8.758 -4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -9.236 -9.621 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.375 -9.935 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.977 -10.602 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -7.585 -12.616 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -7.297 -13.473 -4.635 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.938 -7.093 -7.110 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.083 -6.699 -8.508 1.00 0.00 C ATOM 1027 C ARG A 523 -7.814 -6.011 -9.014 1.00 0.00 C ATOM 1028 O ARG A 523 -7.295 -6.355 -10.072 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.282 -5.766 -8.674 1.00 0.00 C ATOM 1030 CG ARG A 523 -11.037 -5.982 -9.972 1.00 0.00 C ATOM 1031 CD ARG A 523 -11.603 -4.679 -10.513 1.00 0.00 C ATOM 1032 NE ARG A 523 -12.131 -4.831 -11.866 1.00 0.00 N ATOM 1033 CZ ARG A 523 -12.736 -3.855 -12.540 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -12.891 -2.657 -11.991 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -13.187 -4.078 -13.767 1.00 0.00 N ATOM 0 H ARG A 523 -9.706 -6.797 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.248 -7.600 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -10.965 -5.911 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -9.938 -4.733 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.370 -6.425 -10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -11.848 -6.692 -9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -12.395 -4.326 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -10.824 -3.917 -10.512 1.00 0.00 H new ATOM 0 HE ARG A 523 -12.030 -5.738 -12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -12.546 -2.480 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -13.355 -1.913 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -13.070 -4.997 -14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -13.651 -3.331 -14.284 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.318 -5.044 -8.248 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.103 -4.322 -8.616 1.00 0.00 C ATOM 1051 C ILE A 524 -4.950 -5.299 -8.771 1.00 0.00 C ATOM 1052 O ILE A 524 -4.319 -5.384 -9.823 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.732 -3.258 -7.563 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.950 -2.399 -7.218 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.589 -2.390 -8.068 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -6.655 -1.307 -6.212 1.00 0.00 C ATOM 0 H ILE A 524 -7.738 -4.742 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.293 -3.814 -9.561 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.404 -3.766 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.335 -1.946 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -7.738 -3.041 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.338 -1.644 -7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.717 -3.014 -8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.891 -1.889 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -7.564 -0.738 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -6.298 -1.754 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -5.890 -0.641 -6.611 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.717 -6.067 -7.722 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.686 -7.084 -7.721 1.00 0.00 C ATOM 1070 C ILE A 525 -3.857 -7.931 -8.976 1.00 0.00 C ATOM 1071 O ILE A 525 -2.912 -8.173 -9.727 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.763 -8.009 -6.480 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.575 -7.384 -5.344 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.371 -8.337 -5.987 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -4.024 -6.059 -4.868 1.00 0.00 C ATOM 0 H ILE A 525 -5.238 -6.002 -6.848 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.717 -6.585 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.271 -8.922 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.603 -7.242 -5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.605 -8.079 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.438 -8.987 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.816 -8.844 -6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.855 -7.416 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.649 -5.674 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -3.006 -6.198 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.019 -5.349 -5.695 1.00 0.00 H new ATOM 1087 N ASN A 526 -5.109 -8.333 -9.202 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.490 -9.112 -10.379 1.00 0.00 C ATOM 1089 C ASN A 526 -5.072 -8.344 -11.609 1.00 0.00 C ATOM 1090 O ASN A 526 -4.413 -8.866 -12.508 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.995 -9.343 -10.401 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.417 -10.533 -9.564 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -8.281 -10.288 -8.587 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -6.972 -11.657 -9.793 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.886 -8.127 -8.574 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.998 -10.084 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.501 -8.449 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.320 -9.495 -11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -6.309 -11.798 -10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -7.266 -12.448 -9.220 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.424 -7.067 -11.592 1.00 0.00 N ATOM 1102 CA ASN A 527 -5.058 -6.143 -12.648 1.00 0.00 C ATOM 1103 C ASN A 527 -3.570 -6.325 -12.922 1.00 0.00 C ATOM 1104 O ASN A 527 -3.120 -6.303 -14.068 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.410 -4.700 -12.259 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.215 -3.767 -12.222 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.908 -3.266 -11.036 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.579 -3.505 -13.243 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.972 -6.644 -10.843 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.620 -6.351 -13.559 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.141 -4.311 -12.967 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.887 -4.704 -11.279 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.854 -3.916 -14.135 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -2.777 -2.877 -13.197 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.818 -6.498 -11.837 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.378 -6.679 -11.910 1.00 0.00 C ATOM 1117 C ASN A 528 -0.672 -5.380 -12.245 1.00 0.00 C ATOM 1118 O ASN A 528 0.297 -5.352 -13.005 1.00 0.00 O ATOM 1119 CB ASN A 528 -1.025 -7.747 -12.950 1.00 0.00 C ATOM 1120 CG ASN A 528 0.214 -8.535 -12.572 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.037 -9.550 -11.734 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.318 -8.234 -13.027 1.00 0.00 N flip ATOM 0 H ASN A 528 -3.192 -6.516 -10.888 1.00 0.00 H new ATOM 0 HA ASN A 528 -1.037 -7.008 -10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.866 -8.431 -13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -0.868 -7.270 -13.917 1.00 0.00 H new ATOM 0 HD21 ASN A 528 1.408 -7.446 -13.668 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.143 -8.773 -12.763 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.161 -4.304 -11.641 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.559 -2.997 -11.852 1.00 0.00 C ATOM 1131 C GLY A 529 0.033 -2.417 -10.575 1.00 0.00 C ATOM 1132 O GLY A 529 0.032 -1.202 -10.382 1.00 0.00 O ATOM 0 H GLY A 529 -1.962 -4.311 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 529 0.223 -3.078 -12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.311 -2.313 -12.244 1.00 0.00 H new ATOM 1136 N ALA A 530 0.523 -3.289 -9.691 1.00 0.00 N ATOM 1137 CA ALA A 530 1.097 -2.856 -8.421 1.00 0.00 C ATOM 1138 C ALA A 530 2.445 -3.539 -8.112 1.00 0.00 C ATOM 1139 O ALA A 530 2.798 -4.557 -8.699 1.00 0.00 O ATOM 1140 CB ALA A 530 0.110 -3.125 -7.299 1.00 0.00 C ATOM 0 H ALA A 530 0.532 -4.299 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 530 1.295 -1.787 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.540 -2.801 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.812 -2.575 -7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.107 -4.192 -7.253 1.00 0.00 H new ATOM 1146 N TYR A 531 3.163 -2.962 -7.155 1.00 0.00 N ATOM 1147 CA TYR A 531 4.446 -3.474 -6.675 1.00 0.00 C ATOM 1148 C TYR A 531 4.435 -3.432 -5.140 1.00 0.00 C ATOM 1149 O TYR A 531 3.668 -2.665 -4.553 1.00 0.00 O ATOM 1150 CB TYR A 531 5.611 -2.653 -7.255 1.00 0.00 C ATOM 1151 CG TYR A 531 6.610 -2.148 -6.231 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.664 -2.945 -5.792 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.498 -0.866 -5.710 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.572 -2.471 -4.862 1.00 0.00 C ATOM 1155 CE2 TYR A 531 7.403 -0.390 -4.781 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.437 -1.196 -4.361 1.00 0.00 C ATOM 1157 OH TYR A 531 9.340 -0.723 -3.436 1.00 0.00 O ATOM 0 H TYR A 531 2.866 -2.109 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 531 4.590 -4.502 -7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 531 6.140 -3.266 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.201 -1.798 -7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 531 7.774 -3.946 -6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 531 5.689 -0.230 -6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 531 9.385 -3.100 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 531 7.300 0.610 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 531 9.102 0.194 -3.186 1.00 0.00 H new ATOM 1167 N VAL A 532 5.273 -4.236 -4.480 1.00 0.00 N ATOM 1168 CA VAL A 532 5.300 -4.229 -3.016 1.00 0.00 C ATOM 1169 C VAL A 532 6.721 -4.157 -2.468 1.00 0.00 C ATOM 1170 O VAL A 532 7.639 -4.841 -2.938 1.00 0.00 O ATOM 1171 CB VAL A 532 4.543 -5.444 -2.407 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.490 -6.428 -1.725 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.482 -4.965 -1.426 1.00 0.00 C ATOM 0 H VAL A 532 5.925 -4.884 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 532 4.776 -3.323 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 532 4.061 -5.974 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.917 -7.260 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.208 -6.806 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 532 6.022 -5.922 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.959 -5.825 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.957 -4.402 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.769 -4.325 -1.945 1.00 0.00 H new ATOM 1183 N GLY A 533 6.870 -3.314 -1.456 1.00 0.00 N ATOM 1184 CA GLY A 533 8.147 -3.125 -0.816 1.00 0.00 C ATOM 1185 C GLY A 533 8.071 -3.270 0.687 1.00 0.00 C ATOM 1186 O GLY A 533 7.050 -2.965 1.301 1.00 0.00 O ATOM 0 H GLY A 533 6.114 -2.752 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.858 -3.850 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.530 -2.135 -1.063 1.00 0.00 H new ATOM 1190 N SER A 534 9.156 -3.746 1.268 1.00 0.00 N ATOM 1191 CA SER A 534 9.250 -3.940 2.717 1.00 0.00 C ATOM 1192 C SER A 534 10.585 -3.411 3.246 1.00 0.00 C ATOM 1193 O SER A 534 11.598 -3.486 2.559 1.00 0.00 O ATOM 1194 CB SER A 534 9.119 -5.418 3.064 1.00 0.00 C ATOM 1195 OG SER A 534 8.262 -5.605 4.176 1.00 0.00 O ATOM 0 H SER A 534 9.999 -4.011 0.758 1.00 0.00 H new ATOM 0 HA SER A 534 8.436 -3.386 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 534 8.730 -5.964 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.103 -5.832 3.285 1.00 0.00 H new ATOM 0 HG SER A 534 8.701 -6.184 4.834 1.00 0.00 H new ATOM 1201 N ARG A 535 10.584 -2.890 4.471 1.00 0.00 N ATOM 1202 CA ARG A 535 11.815 -2.378 5.075 1.00 0.00 C ATOM 1203 C ARG A 535 11.716 -2.299 6.598 1.00 0.00 C ATOM 1204 O ARG A 535 11.349 -1.260 7.142 1.00 0.00 O ATOM 1205 CB ARG A 535 12.113 -0.989 4.516 1.00 0.00 C ATOM 1206 CG ARG A 535 13.570 -0.536 4.623 1.00 0.00 C ATOM 1207 CD ARG A 535 14.296 -1.169 5.801 1.00 0.00 C ATOM 1208 NE ARG A 535 15.674 -0.694 5.913 1.00 0.00 N ATOM 1209 CZ ARG A 535 16.005 0.536 6.300 1.00 0.00 C ATOM 1210 NH1 ARG A 535 15.063 1.416 6.615 1.00 0.00 N ATOM 1211 NH2 ARG A 535 17.281 0.886 6.371 1.00 0.00 N ATOM 0 H ARG A 535 9.755 -2.811 5.060 1.00 0.00 H new ATOM 0 HA ARG A 535 12.620 -3.071 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 535 11.820 -0.968 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.486 -0.265 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 535 14.093 -0.788 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 535 13.603 0.549 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 535 13.759 -0.943 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.294 -2.253 5.688 1.00 0.00 H new ATOM 0 HE ARG A 535 16.426 -1.343 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 535 14.079 1.151 6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 535 15.323 2.357 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 535 18.009 0.213 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 535 17.536 1.828 6.667 1.00 0.00 H new ATOM 1401 N ASP A 549 14.890 -8.520 3.183 1.00 0.00 N ATOM 1402 CA ASP A 549 13.609 -8.005 3.632 1.00 0.00 C ATOM 1403 C ASP A 549 13.705 -6.500 3.836 1.00 0.00 C ATOM 1404 O ASP A 549 12.692 -5.808 3.924 1.00 0.00 O ATOM 1405 CB ASP A 549 13.183 -8.687 4.933 1.00 0.00 C ATOM 1406 CG ASP A 549 14.302 -8.737 5.956 1.00 0.00 C ATOM 1407 OD1 ASP A 549 15.392 -9.244 5.619 1.00 0.00 O ATOM 1408 OD2 ASP A 549 14.087 -8.268 7.094 1.00 0.00 O ATOM 0 HA ASP A 549 12.858 -8.217 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 549 12.331 -8.155 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 549 12.849 -9.701 4.715 1.00 0.00 H new ATOM 1413 N ASP A 550 14.940 -5.994 3.889 1.00 0.00 N ATOM 1414 CA ASP A 550 15.167 -4.572 4.057 1.00 0.00 C ATOM 1415 C ASP A 550 14.454 -3.823 2.943 1.00 0.00 C ATOM 1416 O ASP A 550 13.869 -2.765 3.148 1.00 0.00 O ATOM 1417 CB ASP A 550 16.666 -4.262 4.037 1.00 0.00 C ATOM 1418 CG ASP A 550 17.152 -3.673 5.347 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.161 -4.406 6.359 1.00 0.00 O ATOM 1420 OD2 ASP A 550 17.522 -2.481 5.361 1.00 0.00 O ATOM 0 H ASP A 550 15.790 -6.553 3.817 1.00 0.00 H new ATOM 0 HA ASP A 550 14.771 -4.253 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.220 -5.176 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.879 -3.565 3.227 1.00 0.00 H new ATOM 1425 N LEU A 551 14.490 -4.421 1.766 1.00 0.00 N ATOM 1426 CA LEU A 551 13.836 -3.880 0.594 1.00 0.00 C ATOM 1427 C LEU A 551 13.039 -4.982 -0.076 1.00 0.00 C ATOM 1428 O LEU A 551 13.500 -6.120 -0.159 1.00 0.00 O ATOM 1429 CB LEU A 551 14.863 -3.321 -0.389 1.00 0.00 C ATOM 1430 CG LEU A 551 14.346 -3.115 -1.818 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.371 -1.948 -1.875 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.503 -2.895 -2.780 1.00 0.00 C ATOM 0 H LEU A 551 14.978 -5.301 1.598 1.00 0.00 H new ATOM 0 HA LEU A 551 13.175 -3.068 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.226 -2.366 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.718 -3.997 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 551 13.815 -4.017 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 551 13.017 -1.820 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.523 -2.150 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.874 -1.038 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 551 15.115 -2.751 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 551 16.065 -2.011 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.159 -3.765 -2.765 1.00 0.00 H new ATOM 1444 N THR A 552 11.857 -4.659 -0.566 1.00 0.00 N ATOM 1445 CA THR A 552 11.050 -5.660 -1.234 1.00 0.00 C ATOM 1446 C THR A 552 10.496 -5.148 -2.550 1.00 0.00 C ATOM 1447 O THR A 552 10.228 -3.960 -2.720 1.00 0.00 O ATOM 1448 CB THR A 552 9.922 -6.147 -0.334 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.415 -6.412 0.964 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.256 -7.407 -0.839 1.00 0.00 C ATOM 0 H THR A 552 11.441 -3.729 -0.516 1.00 0.00 H new ATOM 0 HA THR A 552 11.704 -6.504 -1.454 1.00 0.00 H new ATOM 0 HB THR A 552 9.182 -5.347 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.974 -7.217 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.462 -7.699 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 552 8.832 -7.224 -1.826 1.00 0.00 H new ATOM 0 HG23 THR A 552 9.993 -8.207 -0.903 1.00 0.00 H new ATOM 1458 N PHE A 553 10.307 -6.078 -3.459 1.00 0.00 N ATOM 1459 CA PHE A 553 9.751 -5.802 -4.762 1.00 0.00 C ATOM 1460 C PHE A 553 8.677 -6.832 -5.045 1.00 0.00 C ATOM 1461 O PHE A 553 8.849 -8.008 -4.741 1.00 0.00 O ATOM 1462 CB PHE A 553 10.836 -5.841 -5.841 1.00 0.00 C ATOM 1463 CG PHE A 553 10.780 -4.674 -6.788 1.00 0.00 C ATOM 1464 CD1 PHE A 553 11.007 -3.385 -6.334 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.501 -4.869 -8.130 1.00 0.00 C ATOM 1466 CE1 PHE A 553 10.955 -2.311 -7.202 1.00 0.00 C ATOM 1467 CE2 PHE A 553 10.448 -3.798 -9.003 1.00 0.00 C ATOM 1468 CZ PHE A 553 10.676 -2.518 -8.538 1.00 0.00 C ATOM 0 H PHE A 553 10.539 -7.060 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 553 9.321 -4.800 -4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.814 -5.863 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.739 -6.766 -6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 553 11.227 -3.218 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 553 10.323 -5.868 -8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 553 11.132 -1.311 -6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 553 10.228 -3.962 -10.048 1.00 0.00 H new ATOM 0 HZ PHE A 553 10.636 -1.680 -9.218 1.00 0.00 H new ATOM 1478 N THR A 554 7.572 -6.408 -5.611 1.00 0.00 N ATOM 1479 CA THR A 554 6.501 -7.334 -5.905 1.00 0.00 C ATOM 1480 C THR A 554 6.011 -7.169 -7.326 1.00 0.00 C ATOM 1481 O THR A 554 5.878 -6.051 -7.825 1.00 0.00 O ATOM 1482 CB THR A 554 5.352 -7.157 -4.904 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.025 -8.395 -4.300 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.069 -6.581 -5.491 1.00 0.00 C ATOM 0 H THR A 554 7.390 -5.440 -5.875 1.00 0.00 H new ATOM 0 HA THR A 554 6.890 -8.347 -5.807 1.00 0.00 H new ATOM 0 HB THR A 554 5.734 -6.435 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 554 4.053 -8.516 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.317 -6.494 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 554 4.271 -5.596 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 554 3.700 -7.241 -6.276 1.00 0.00 H new ATOM 1492 N PRO A 555 5.703 -8.280 -7.990 1.00 0.00 N ATOM 1493 CA PRO A 555 5.188 -8.254 -9.332 1.00 0.00 C ATOM 1494 C PRO A 555 3.663 -8.210 -9.314 1.00 0.00 C ATOM 1495 O PRO A 555 3.017 -8.291 -10.355 1.00 0.00 O ATOM 1496 CB PRO A 555 5.722 -9.559 -9.884 1.00 0.00 C ATOM 1497 CG PRO A 555 5.636 -10.504 -8.731 1.00 0.00 C ATOM 1498 CD PRO A 555 5.796 -9.663 -7.483 1.00 0.00 C ATOM 0 HA PRO A 555 5.482 -7.387 -9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.129 -9.907 -10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.748 -9.453 -10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 555 4.680 -11.028 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.415 -11.264 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.016 -9.876 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 555 6.752 -9.848 -6.993 1.00 0.00 H new ATOM 1506 N ILE A 556 3.112 -8.041 -8.101 1.00 0.00 N ATOM 1507 CA ILE A 556 1.677 -7.921 -7.890 1.00 0.00 C ATOM 1508 C ILE A 556 0.876 -9.154 -8.300 1.00 0.00 C ATOM 1509 O ILE A 556 -0.266 -9.037 -8.743 1.00 0.00 O ATOM 1510 CB ILE A 556 1.090 -6.645 -8.490 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.280 -6.347 -7.888 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.999 -6.750 -9.977 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.287 -6.329 -6.376 1.00 0.00 C ATOM 0 H ILE A 556 3.659 -7.985 -7.242 1.00 0.00 H new ATOM 0 HA ILE A 556 1.574 -7.847 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 556 1.758 -5.819 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.627 -5.381 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.991 -7.095 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.578 -5.830 -10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 556 1.994 -6.907 -10.392 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.358 -7.590 -10.244 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.294 -6.111 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.029 -7.302 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.399 -5.561 -6.018 1.00 0.00 H new ATOM 1525 N LYS A 557 1.457 -10.332 -8.145 1.00 0.00 N ATOM 1526 CA LYS A 557 0.757 -11.558 -8.499 1.00 0.00 C ATOM 1527 C LYS A 557 0.330 -12.186 -7.191 1.00 0.00 C ATOM 1528 O LYS A 557 1.002 -12.030 -6.182 1.00 0.00 O ATOM 1529 CB LYS A 557 1.666 -12.504 -9.289 1.00 0.00 C ATOM 1530 CG LYS A 557 1.219 -12.715 -10.728 1.00 0.00 C ATOM 1531 CD LYS A 557 2.378 -12.574 -11.701 1.00 0.00 C ATOM 1532 CE LYS A 557 2.194 -13.463 -12.921 1.00 0.00 C ATOM 1533 NZ LYS A 557 2.924 -14.753 -12.784 1.00 0.00 N ATOM 0 H LYS A 557 2.400 -10.467 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 557 -0.100 -11.352 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.681 -12.106 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 557 1.701 -13.469 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.776 -13.706 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.443 -11.991 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 557 2.464 -11.534 -12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.310 -12.833 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.132 -13.661 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 557 2.547 -12.939 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.773 -15.330 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 3.940 -14.566 -12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.569 -15.266 -11.952 1.00 0.00 H new ATOM 1547 N THR A 558 -0.856 -12.761 -7.161 1.00 0.00 N ATOM 1548 CA THR A 558 -1.388 -13.222 -5.905 1.00 0.00 C ATOM 1549 C THR A 558 -0.508 -14.231 -5.180 1.00 0.00 C ATOM 1550 O THR A 558 -0.331 -15.377 -5.595 1.00 0.00 O ATOM 1551 CB THR A 558 -2.781 -13.818 -6.119 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.211 -14.518 -4.965 1.00 0.00 O ATOM 1553 CG2 THR A 558 -2.848 -14.778 -7.287 1.00 0.00 C ATOM 0 H THR A 558 -1.453 -12.915 -7.973 1.00 0.00 H new ATOM 0 HA THR A 558 -1.433 -12.343 -5.262 1.00 0.00 H new ATOM 0 HB THR A 558 -3.429 -12.967 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.104 -14.890 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 558 -3.863 -15.164 -7.383 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.570 -14.257 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.159 -15.606 -7.118 1.00 0.00 H new ATOM 1561 N TRP A 559 -0.060 -13.769 -4.024 1.00 0.00 N ATOM 1562 CA TRP A 559 0.716 -14.543 -3.059 1.00 0.00 C ATOM 1563 C TRP A 559 0.187 -14.174 -1.679 1.00 0.00 C ATOM 1564 O TRP A 559 0.178 -12.993 -1.338 1.00 0.00 O ATOM 1565 CB TRP A 559 2.222 -14.263 -3.146 1.00 0.00 C ATOM 1566 CG TRP A 559 2.610 -13.149 -4.074 1.00 0.00 C ATOM 1567 CD1 TRP A 559 3.290 -13.270 -5.251 1.00 0.00 C ATOM 1568 CD2 TRP A 559 2.364 -11.749 -3.893 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.477 -12.032 -5.817 1.00 0.00 N ATOM 1570 CE2 TRP A 559 2.916 -11.084 -5.003 1.00 0.00 C ATOM 1571 CE3 TRP A 559 1.728 -10.993 -2.905 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 2.848 -9.706 -5.152 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 1.663 -9.621 -3.055 1.00 0.00 C ATOM 1574 CH2 TRP A 559 2.219 -8.990 -4.170 1.00 0.00 C ATOM 0 H TRP A 559 -0.231 -12.811 -3.718 1.00 0.00 H new ATOM 0 HA TRP A 559 0.601 -15.606 -3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.590 -14.028 -2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.727 -15.174 -3.466 1.00 0.00 H new ATOM 0 HD1 TRP A 559 3.631 -14.203 -5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.955 -11.849 -6.699 1.00 0.00 H new ATOM 0 HE3 TRP A 559 1.295 -11.472 -2.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 3.277 -9.215 -6.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 1.174 -9.027 -2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 559 2.151 -7.916 -4.259 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.298 -15.120 -0.890 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.846 -14.726 0.404 1.00 0.00 C ATOM 1587 C ASN A 560 0.176 -14.747 1.543 1.00 0.00 C ATOM 1588 O ASN A 560 0.634 -13.698 1.986 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.020 -15.635 0.762 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.159 -15.529 -0.233 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.309 -14.516 -0.918 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -3.970 -16.577 -0.318 1.00 0.00 N ATOM 0 H ASN A 560 -0.326 -16.117 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.169 -13.691 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.675 -16.668 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.385 -15.378 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -4.754 -16.563 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -3.809 -17.396 0.269 1.00 0.00 H new ATOM 1599 N ALA A 561 0.493 -15.940 2.031 1.00 0.00 N ATOM 1600 CA ALA A 561 1.423 -16.107 3.150 1.00 0.00 C ATOM 1601 C ALA A 561 2.905 -15.923 2.822 1.00 0.00 C ATOM 1602 O ALA A 561 3.628 -15.237 3.548 1.00 0.00 O ATOM 1603 CB ALA A 561 1.182 -17.436 3.821 1.00 0.00 C ATOM 0 H ALA A 561 0.118 -16.816 1.668 1.00 0.00 H new ATOM 0 HA ALA A 561 1.201 -15.284 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.877 -17.555 4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 561 0.159 -17.475 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 561 1.336 -18.240 3.102 1.00 0.00 H new ATOM 1609 N SER A 562 3.372 -16.588 1.779 1.00 0.00 N ATOM 1610 CA SER A 562 4.786 -16.545 1.416 1.00 0.00 C ATOM 1611 C SER A 562 5.349 -15.132 1.365 1.00 0.00 C ATOM 1612 O SER A 562 6.348 -14.823 2.022 1.00 0.00 O ATOM 1613 CB SER A 562 5.001 -17.231 0.067 1.00 0.00 C ATOM 1614 OG SER A 562 6.378 -17.455 -0.180 1.00 0.00 O ATOM 0 H SER A 562 2.796 -17.165 1.166 1.00 0.00 H new ATOM 0 HA SER A 562 5.325 -17.075 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 562 4.467 -18.181 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 562 4.582 -16.615 -0.728 1.00 0.00 H new ATOM 0 HG SER A 562 6.487 -17.896 -1.048 1.00 0.00 H new ATOM 1620 N LYS A 563 4.726 -14.285 0.574 1.00 0.00 N ATOM 1621 CA LYS A 563 5.193 -12.919 0.415 1.00 0.00 C ATOM 1622 C LYS A 563 4.957 -12.076 1.659 1.00 0.00 C ATOM 1623 O LYS A 563 5.854 -11.368 2.113 1.00 0.00 O ATOM 1624 CB LYS A 563 4.551 -12.295 -0.817 1.00 0.00 C ATOM 1625 CG LYS A 563 5.118 -12.871 -2.105 1.00 0.00 C ATOM 1626 CD LYS A 563 5.528 -11.788 -3.087 1.00 0.00 C ATOM 1627 CE LYS A 563 7.005 -11.889 -3.437 1.00 0.00 C ATOM 1628 NZ LYS A 563 7.229 -11.888 -4.908 1.00 0.00 N ATOM 0 H LYS A 563 3.895 -14.515 0.030 1.00 0.00 H new ATOM 0 HA LYS A 563 6.273 -12.947 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.474 -12.461 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 563 4.708 -11.217 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.982 -13.494 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.374 -13.518 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 563 4.930 -11.872 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 563 5.320 -10.808 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.542 -11.054 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.418 -12.802 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 8.193 -11.554 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 7.111 -12.853 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 6.540 -11.256 -5.364 1.00 0.00 H new ATOM 1642 N THR A 564 3.754 -12.136 2.198 1.00 0.00 N ATOM 1643 CA THR A 564 3.414 -11.357 3.381 1.00 0.00 C ATOM 1644 C THR A 564 4.452 -11.532 4.491 1.00 0.00 C ATOM 1645 O THR A 564 5.232 -10.625 4.772 1.00 0.00 O ATOM 1646 CB THR A 564 2.016 -11.720 3.881 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.678 -10.966 5.030 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.838 -13.173 4.221 1.00 0.00 C ATOM 0 H THR A 564 2.994 -12.714 1.839 1.00 0.00 H new ATOM 0 HA THR A 564 3.417 -10.305 3.096 1.00 0.00 H new ATOM 0 HB THR A 564 1.359 -11.488 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.751 -10.658 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.819 -13.343 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 564 2.027 -13.780 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.539 -13.451 5.008 1.00 0.00 H new ATOM 1656 N GLN A 565 4.466 -12.694 5.115 1.00 0.00 N ATOM 1657 CA GLN A 565 5.406 -12.971 6.185 1.00 0.00 C ATOM 1658 C GLN A 565 6.842 -12.645 5.792 1.00 0.00 C ATOM 1659 O GLN A 565 7.577 -12.037 6.564 1.00 0.00 O ATOM 1660 CB GLN A 565 5.298 -14.419 6.656 1.00 0.00 C ATOM 1661 CG GLN A 565 5.470 -14.568 8.161 1.00 0.00 C ATOM 1662 CD GLN A 565 4.404 -13.824 8.950 1.00 0.00 C ATOM 1663 OE1 GLN A 565 3.445 -14.426 9.431 1.00 0.00 O ATOM 1664 NE2 GLN A 565 4.568 -12.508 9.091 1.00 0.00 N ATOM 0 H GLN A 565 3.834 -13.465 4.898 1.00 0.00 H new ATOM 0 HA GLN A 565 5.136 -12.315 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.326 -14.819 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.054 -15.018 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 565 5.438 -15.626 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 565 6.454 -14.197 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 565 5.378 -12.048 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 565 3.883 -11.962 9.614 1.00 0.00 H new ATOM 1673 N GLU A 566 7.256 -13.078 4.609 1.00 0.00 N ATOM 1674 CA GLU A 566 8.627 -12.847 4.163 1.00 0.00 C ATOM 1675 C GLU A 566 9.040 -11.387 4.340 1.00 0.00 C ATOM 1676 O GLU A 566 9.924 -11.073 5.137 1.00 0.00 O ATOM 1677 CB GLU A 566 8.788 -13.258 2.699 1.00 0.00 C ATOM 1678 CG GLU A 566 10.232 -13.266 2.224 1.00 0.00 C ATOM 1679 CD GLU A 566 10.404 -13.961 0.888 1.00 0.00 C ATOM 1680 OE1 GLU A 566 9.474 -14.683 0.469 1.00 0.00 O ATOM 1681 OE2 GLU A 566 11.469 -13.785 0.260 1.00 0.00 O ATOM 0 H GLU A 566 6.671 -13.586 3.946 1.00 0.00 H new ATOM 0 HA GLU A 566 9.280 -13.460 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.363 -14.252 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 566 8.212 -12.576 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 566 10.590 -12.239 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.853 -13.762 2.970 1.00 0.00 H new ATOM 1688 N PHE A 567 8.406 -10.504 3.584 1.00 0.00 N ATOM 1689 CA PHE A 567 8.712 -9.079 3.640 1.00 0.00 C ATOM 1690 C PHE A 567 7.744 -8.333 4.535 1.00 0.00 C ATOM 1691 O PHE A 567 8.139 -7.615 5.453 1.00 0.00 O ATOM 1692 CB PHE A 567 8.656 -8.478 2.240 1.00 0.00 C ATOM 1693 CG PHE A 567 8.658 -9.506 1.161 1.00 0.00 C ATOM 1694 CD1 PHE A 567 9.799 -10.236 0.883 1.00 0.00 C ATOM 1695 CD2 PHE A 567 7.507 -9.756 0.441 1.00 0.00 C ATOM 1696 CE1 PHE A 567 9.789 -11.198 -0.102 1.00 0.00 C ATOM 1697 CE2 PHE A 567 7.491 -10.717 -0.540 1.00 0.00 C ATOM 1698 CZ PHE A 567 8.631 -11.439 -0.810 1.00 0.00 C ATOM 0 H PHE A 567 7.672 -10.749 2.920 1.00 0.00 H new ATOM 0 HA PHE A 567 9.715 -8.977 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 567 7.758 -7.867 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 567 9.509 -7.814 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 567 10.704 -10.050 1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 567 6.611 -9.191 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 567 10.685 -11.761 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 567 6.586 -10.906 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 567 8.618 -12.197 -1.579 1.00 0.00 H new ATOM 1708 N ILE A 568 6.472 -8.518 4.239 1.00 0.00 N ATOM 1709 CA ILE A 568 5.376 -7.895 4.967 1.00 0.00 C ATOM 1710 C ILE A 568 5.415 -8.137 6.450 1.00 0.00 C ATOM 1711 O ILE A 568 4.464 -7.804 7.151 1.00 0.00 O ATOM 1712 CB ILE A 568 3.993 -8.239 4.398 1.00 0.00 C ATOM 1713 CG1 ILE A 568 4.024 -8.113 2.881 1.00 0.00 C ATOM 1714 CG2 ILE A 568 2.934 -7.324 4.990 1.00 0.00 C ATOM 1715 CD1 ILE A 568 4.575 -6.793 2.394 1.00 0.00 C ATOM 0 H ILE A 568 6.163 -9.116 3.473 1.00 0.00 H new ATOM 0 HA ILE A 568 5.537 -6.828 4.815 1.00 0.00 H new ATOM 0 HB ILE A 568 3.739 -9.265 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 568 4.627 -8.923 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 568 3.013 -8.240 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 568 1.959 -7.581 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 568 2.912 -7.446 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.170 -6.288 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 568 4.567 -6.775 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 568 3.959 -5.979 2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 568 5.598 -6.672 2.751 1.00 0.00 H new ATOM 1727 N ILE A 569 6.508 -8.681 6.953 1.00 0.00 N ATOM 1728 CA ILE A 569 6.598 -8.880 8.374 1.00 0.00 C ATOM 1729 C ILE A 569 6.360 -7.510 8.944 1.00 0.00 C ATOM 1730 O ILE A 569 5.696 -7.341 9.966 1.00 0.00 O ATOM 1731 CB ILE A 569 7.993 -9.371 8.836 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.103 -8.808 7.928 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.043 -10.891 8.882 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.483 -9.343 8.247 1.00 0.00 C ATOM 0 H ILE A 569 7.319 -8.982 6.413 1.00 0.00 H new ATOM 0 HA ILE A 569 5.891 -9.643 8.698 1.00 0.00 H new ATOM 0 HB ILE A 569 8.166 -8.998 9.846 1.00 0.00 H new ATOM 0 HG12 ILE A 569 8.864 -9.041 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.115 -7.722 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 569 9.032 -11.213 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 569 7.292 -11.259 9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 569 7.841 -11.292 7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.211 -8.901 7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 569 10.744 -9.087 9.274 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.489 -10.427 8.131 1.00 0.00 H new ATOM 1746 N ASP A 570 6.842 -6.525 8.179 1.00 0.00 N ATOM 1747 CA ASP A 570 6.631 -5.136 8.476 1.00 0.00 C ATOM 1748 C ASP A 570 6.617 -4.911 9.951 1.00 0.00 C ATOM 1749 O ASP A 570 5.777 -4.167 10.462 1.00 0.00 O ATOM 1750 CB ASP A 570 5.333 -4.645 7.845 1.00 0.00 C ATOM 1751 CG ASP A 570 4.129 -5.444 8.296 1.00 0.00 C ATOM 1752 OD1 ASP A 570 4.023 -5.731 9.505 1.00 0.00 O ATOM 1753 OD2 ASP A 570 3.279 -5.770 7.440 1.00 0.00 O ATOM 0 H ASP A 570 7.391 -6.688 7.335 1.00 0.00 H new ATOM 0 HA ASP A 570 7.456 -4.565 8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.184 -3.595 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 570 5.417 -4.702 6.760 1.00 0.00 H new ATOM 1758 N GLY A 571 7.541 -5.549 10.646 1.00 0.00 N ATOM 1759 CA GLY A 571 7.567 -5.359 12.069 1.00 0.00 C ATOM 1760 C GLY A 571 7.523 -3.882 12.314 1.00 0.00 C ATOM 1761 O GLY A 571 6.732 -3.395 13.121 1.00 0.00 O ATOM 0 H GLY A 571 8.250 -6.174 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 571 6.717 -5.854 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.468 -5.795 12.500 1.00 0.00 H new ATOM 1765 N ASP A 572 8.309 -3.156 11.526 1.00 0.00 N ATOM 1766 CA ASP A 572 8.274 -1.722 11.581 1.00 0.00 C ATOM 1767 C ASP A 572 7.858 -1.097 10.240 1.00 0.00 C ATOM 1768 O ASP A 572 7.483 0.077 10.220 1.00 0.00 O ATOM 1769 CB ASP A 572 9.642 -1.181 12.000 1.00 0.00 C ATOM 1770 CG ASP A 572 9.532 0.016 12.924 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.299 1.136 12.421 1.00 0.00 O ATOM 1772 OD2 ASP A 572 9.677 -0.165 14.151 1.00 0.00 O ATOM 0 H ASP A 572 8.968 -3.544 10.851 1.00 0.00 H new ATOM 0 HA ASP A 572 7.522 -1.445 12.320 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.205 -1.970 12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 572 10.206 -0.900 11.111 1.00 0.00 H new ATOM 1777 N LEU A 573 7.929 -1.834 9.097 1.00 0.00 N ATOM 1778 CA LEU A 573 7.549 -1.197 7.834 1.00 0.00 C ATOM 1779 C LEU A 573 6.807 -2.062 6.850 1.00 0.00 C ATOM 1780 O LEU A 573 7.210 -3.179 6.537 1.00 0.00 O ATOM 1781 CB LEU A 573 8.755 -0.585 7.137 1.00 0.00 C ATOM 1782 CG LEU A 573 8.401 0.541 6.164 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.520 1.892 6.850 1.00 0.00 C ATOM 1784 CD2 LEU A 573 9.285 0.486 4.930 1.00 0.00 C ATOM 0 H LEU A 573 8.228 -2.807 9.035 1.00 0.00 H new ATOM 0 HA LEU A 573 6.842 -0.430 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.441 -0.199 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.285 -1.368 6.595 1.00 0.00 H new ATOM 0 HG LEU A 573 7.367 0.406 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 573 8.265 2.682 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.838 1.930 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.543 2.034 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 573 9.015 1.296 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 573 10.329 0.593 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 573 9.146 -0.470 4.425 1.00 0.00 H new ATOM 1796 N LEU A 574 5.788 -1.474 6.276 1.00 0.00 N ATOM 1797 CA LEU A 574 5.056 -2.100 5.212 1.00 0.00 C ATOM 1798 C LEU A 574 4.811 -1.045 4.137 1.00 0.00 C ATOM 1799 O LEU A 574 4.382 0.062 4.453 1.00 0.00 O ATOM 1800 CB LEU A 574 3.730 -2.643 5.733 1.00 0.00 C ATOM 1801 CG LEU A 574 2.869 -3.372 4.711 1.00 0.00 C ATOM 1802 CD1 LEU A 574 3.715 -4.277 3.830 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.785 -4.167 5.421 1.00 0.00 C ATOM 0 H LEU A 574 5.445 -0.549 6.535 1.00 0.00 H new ATOM 0 HA LEU A 574 5.621 -2.937 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 574 3.936 -3.324 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.153 -1.813 6.141 1.00 0.00 H new ATOM 0 HG LEU A 574 2.396 -2.633 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 574 3.074 -4.785 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 574 4.455 -3.679 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 574 4.223 -5.017 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 574 1.173 -4.686 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 574 2.246 -4.896 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.158 -3.490 6.001 1.00 0.00 H new ATOM 1815 N ILE A 575 5.042 -1.371 2.885 1.00 0.00 N ATOM 1816 CA ILE A 575 4.789 -0.412 1.801 1.00 0.00 C ATOM 1817 C ILE A 575 4.045 -1.071 0.667 1.00 0.00 C ATOM 1818 O ILE A 575 4.387 -2.177 0.240 1.00 0.00 O ATOM 1819 CB ILE A 575 6.070 0.220 1.202 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.323 -0.314 1.879 1.00 0.00 C ATOM 1821 CG2 ILE A 575 6.018 1.734 1.315 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.587 -0.094 1.078 1.00 0.00 C ATOM 0 H ILE A 575 5.400 -2.277 2.581 1.00 0.00 H new ATOM 0 HA ILE A 575 4.202 0.380 2.267 1.00 0.00 H new ATOM 0 HB ILE A 575 6.114 -0.056 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.432 0.165 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.200 -1.382 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.926 2.162 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 575 5.151 2.110 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.940 2.018 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.439 -0.501 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.499 -0.597 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.735 0.974 0.918 1.00 0.00 H new ATOM 1834 N LEU A 576 3.069 -0.368 0.146 1.00 0.00 N ATOM 1835 CA LEU A 576 2.312 -0.851 -0.973 1.00 0.00 C ATOM 1836 C LEU A 576 2.190 0.253 -1.987 1.00 0.00 C ATOM 1837 O LEU A 576 1.860 1.383 -1.634 1.00 0.00 O ATOM 1838 CB LEU A 576 0.909 -1.275 -0.519 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.258 -0.743 -1.377 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.376 -1.544 -2.666 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.549 -0.818 -0.592 1.00 0.00 C ATOM 0 H LEU A 576 2.782 0.550 0.486 1.00 0.00 H new ATOM 0 HA LEU A 576 2.819 -1.712 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.863 -2.364 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.763 -0.941 0.508 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.061 0.298 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.204 -1.157 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.550 -1.458 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -0.559 -2.592 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.369 -0.441 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.748 -1.854 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.462 -0.213 0.311 1.00 0.00 H new ATOM 1853 N LYS A 577 2.393 -0.055 -3.239 1.00 0.00 N ATOM 1854 CA LYS A 577 2.222 0.962 -4.252 1.00 0.00 C ATOM 1855 C LYS A 577 1.396 0.417 -5.398 1.00 0.00 C ATOM 1856 O LYS A 577 1.639 -0.685 -5.876 1.00 0.00 O ATOM 1857 CB LYS A 577 3.576 1.461 -4.752 1.00 0.00 C ATOM 1858 CG LYS A 577 4.242 2.454 -3.813 1.00 0.00 C ATOM 1859 CD LYS A 577 5.569 1.927 -3.289 1.00 0.00 C ATOM 1860 CE LYS A 577 5.825 2.383 -1.862 1.00 0.00 C ATOM 1861 NZ LYS A 577 7.237 2.811 -1.661 1.00 0.00 N ATOM 0 H LYS A 577 2.670 -0.975 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 577 1.694 1.808 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 577 4.239 0.607 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.444 1.928 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 577 4.405 3.396 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.577 2.665 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 577 5.571 0.838 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 577 6.378 2.271 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.157 3.210 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 577 5.590 1.571 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 7.300 3.416 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.839 1.973 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 7.560 3.344 -2.494 1.00 0.00 H new ATOM 1875 N LEU A 578 0.442 1.202 -5.860 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.379 0.793 -6.980 1.00 0.00 C ATOM 1877 C LEU A 578 -0.297 1.866 -8.049 1.00 0.00 C ATOM 1878 O LEU A 578 -0.457 3.065 -7.765 1.00 0.00 O ATOM 1879 CB LEU A 578 -1.834 0.587 -6.528 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.002 -0.087 -5.155 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -2.701 0.846 -4.168 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.775 -1.396 -5.288 1.00 0.00 C ATOM 0 H LEU A 578 0.218 2.121 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.019 -0.154 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.331 1.557 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.349 -0.015 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.008 -0.309 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -2.807 0.345 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.108 1.752 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -3.687 1.108 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.883 -1.856 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.762 -1.195 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.233 -2.073 -5.949 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.060 1.425 -9.278 1.00 0.00 N ATOM 1895 CA GLY A 579 0.065 2.344 -10.382 1.00 0.00 C ATOM 1896 C GLY A 579 -1.241 2.633 -11.060 1.00 0.00 C ATOM 1897 O GLY A 579 -1.289 3.445 -11.986 1.00 0.00 O ATOM 0 H GLY A 579 0.048 0.441 -9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.495 3.279 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.763 1.933 -11.112 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.312 1.997 -10.610 1.00 0.00 N ATOM 1902 CA LYS A 580 -3.591 2.256 -11.221 1.00 0.00 C ATOM 1903 C LYS A 580 -4.068 3.627 -10.797 1.00 0.00 C ATOM 1904 O LYS A 580 -4.453 4.441 -11.638 1.00 0.00 O ATOM 1905 CB LYS A 580 -4.619 1.184 -10.845 1.00 0.00 C ATOM 1906 CG LYS A 580 -4.526 0.712 -9.401 1.00 0.00 C ATOM 1907 CD LYS A 580 -5.902 0.592 -8.763 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.019 1.458 -7.519 1.00 0.00 C ATOM 1909 NZ LYS A 580 -4.816 1.347 -6.647 1.00 0.00 N ATOM 0 H LYS A 580 -2.317 1.320 -9.847 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.478 2.225 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -5.620 1.577 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.491 0.326 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -4.022 -0.254 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -3.918 1.411 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -6.665 0.885 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -6.093 -0.449 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -6.159 2.498 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -6.904 1.164 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -5.107 1.377 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -4.329 0.448 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -4.171 2.139 -6.843 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.005 3.909 -9.498 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.399 5.220 -9.027 1.00 0.00 C ATOM 1925 C TRP A 581 -3.506 5.797 -7.932 1.00 0.00 C ATOM 1926 O TRP A 581 -3.087 6.950 -8.015 1.00 0.00 O ATOM 1927 CB TRP A 581 -5.846 5.185 -8.531 1.00 0.00 C ATOM 1928 CG TRP A 581 -6.843 4.902 -9.613 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -6.867 5.442 -10.867 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -7.963 4.012 -9.537 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -7.932 4.940 -11.576 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -8.620 4.062 -10.781 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -8.474 3.179 -8.538 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -9.759 3.308 -11.051 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -9.606 2.432 -8.808 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -10.238 2.501 -10.055 1.00 0.00 C ATOM 0 H TRP A 581 -3.692 3.262 -8.774 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.293 5.881 -9.887 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -5.937 4.424 -7.756 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.086 6.142 -8.068 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.154 6.159 -11.246 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.171 5.182 -12.538 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -7.994 3.120 -7.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.247 3.358 -12.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -10.009 1.784 -8.044 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -11.121 1.906 -10.235 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.293 5.032 -6.858 1.00 0.00 N ATOM 1948 CA LYS A 582 -2.544 5.550 -5.727 1.00 0.00 C ATOM 1949 C LYS A 582 -1.593 4.561 -5.090 1.00 0.00 C ATOM 1950 O LYS A 582 -1.720 3.344 -5.240 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.513 6.070 -4.665 1.00 0.00 C ATOM 1952 CG LYS A 582 -4.621 5.089 -4.317 1.00 0.00 C ATOM 1953 CD LYS A 582 -5.932 5.806 -4.036 1.00 0.00 C ATOM 1954 CE LYS A 582 -6.513 6.422 -5.298 1.00 0.00 C ATOM 1955 NZ LYS A 582 -7.873 6.981 -5.070 1.00 0.00 N ATOM 0 H LYS A 582 -3.624 4.073 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 582 -1.922 6.350 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -2.953 6.308 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -3.960 7.000 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -4.758 4.387 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -4.330 4.505 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.648 5.103 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -5.769 6.585 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -5.851 7.212 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -6.558 5.667 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -8.233 7.391 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -8.512 6.223 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -7.827 7.720 -4.340 1.00 0.00 H new ATOM 1969 N MET A 583 -0.705 5.110 -4.286 1.00 0.00 N ATOM 1970 CA MET A 583 0.210 4.337 -3.489 1.00 0.00 C ATOM 1971 C MET A 583 -0.173 4.575 -2.040 1.00 0.00 C ATOM 1972 O MET A 583 -0.394 5.710 -1.611 1.00 0.00 O ATOM 1973 CB MET A 583 1.667 4.764 -3.732 1.00 0.00 C ATOM 1974 CG MET A 583 2.485 4.952 -2.454 1.00 0.00 C ATOM 1975 SD MET A 583 4.176 5.491 -2.781 1.00 0.00 S ATOM 1976 CE MET A 583 4.813 5.634 -1.113 1.00 0.00 C ATOM 0 H MET A 583 -0.602 6.118 -4.170 1.00 0.00 H new ATOM 0 HA MET A 583 0.146 3.281 -3.753 1.00 0.00 H new ATOM 0 HB2 MET A 583 2.155 4.015 -4.355 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.671 5.698 -4.294 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.991 5.685 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.508 4.013 -1.901 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.887 5.447 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 583 4.620 6.638 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.320 4.904 -0.471 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.225 3.504 -1.299 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.552 3.560 0.103 1.00 0.00 C ATOM 1988 C LYS A 584 0.594 2.928 0.863 1.00 0.00 C ATOM 1989 O LYS A 584 1.072 1.853 0.507 1.00 0.00 O ATOM 1990 CB LYS A 584 -1.864 2.793 0.324 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.525 3.005 1.676 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.067 1.956 2.655 1.00 0.00 C ATOM 1993 CE LYS A 584 -2.708 0.620 2.345 1.00 0.00 C ATOM 1994 NZ LYS A 584 -1.771 -0.507 2.607 1.00 0.00 N ATOM 0 H LYS A 584 -0.042 2.564 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 584 -0.691 4.583 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -2.569 3.082 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -1.668 1.728 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -2.281 3.997 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -3.609 2.963 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -0.982 1.863 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -2.323 2.261 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -3.606 0.497 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.022 0.599 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -1.693 -1.098 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -0.834 -0.129 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.131 -1.082 3.395 1.00 0.00 H new ATOM 2008 N LEU A 585 1.024 3.585 1.908 1.00 0.00 N ATOM 2009 CA LEU A 585 2.112 3.089 2.723 1.00 0.00 C ATOM 2010 C LEU A 585 1.591 2.916 4.121 1.00 0.00 C ATOM 2011 O LEU A 585 0.859 3.766 4.621 1.00 0.00 O ATOM 2012 CB LEU A 585 3.276 4.078 2.695 1.00 0.00 C ATOM 2013 CG LEU A 585 4.561 3.594 3.363 1.00 0.00 C ATOM 2014 CD1 LEU A 585 5.766 4.312 2.776 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.498 3.803 4.867 1.00 0.00 C ATOM 0 H LEU A 585 0.635 4.475 2.221 1.00 0.00 H new ATOM 0 HA LEU A 585 2.479 2.136 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.497 4.324 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.959 5.001 3.181 1.00 0.00 H new ATOM 0 HG LEU A 585 4.665 2.526 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 585 6.674 3.956 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 585 5.824 4.110 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 585 5.664 5.385 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.424 3.451 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 585 4.368 4.864 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.657 3.244 5.277 1.00 0.00 H new ATOM 2027 N VAL A 586 1.918 1.809 4.742 1.00 0.00 N ATOM 2028 CA VAL A 586 1.420 1.547 6.069 1.00 0.00 C ATOM 2029 C VAL A 586 2.497 1.049 7.020 1.00 0.00 C ATOM 2030 O VAL A 586 3.365 0.260 6.648 1.00 0.00 O ATOM 2031 CB VAL A 586 0.262 0.525 5.998 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.143 0.017 7.379 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -0.934 1.144 5.296 1.00 0.00 C ATOM 0 H VAL A 586 2.520 1.082 4.355 1.00 0.00 H new ATOM 0 HA VAL A 586 1.062 2.495 6.470 1.00 0.00 H new ATOM 0 HB VAL A 586 0.617 -0.334 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.959 -0.698 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.710 -0.470 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.469 0.856 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.745 0.417 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.265 2.023 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -0.651 1.436 4.285 1.00 0.00 H new ATOM 2043 N SER A 587 2.385 1.468 8.271 1.00 0.00 N ATOM 2044 CA SER A 587 3.296 1.008 9.309 1.00 0.00 C ATOM 2045 C SER A 587 2.500 0.053 10.186 1.00 0.00 C ATOM 2046 O SER A 587 1.339 0.325 10.492 1.00 0.00 O ATOM 2047 CB SER A 587 3.821 2.185 10.136 1.00 0.00 C ATOM 2048 OG SER A 587 4.966 2.762 9.531 1.00 0.00 O ATOM 0 H SER A 587 1.674 2.125 8.592 1.00 0.00 H new ATOM 0 HA SER A 587 4.165 0.515 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 587 3.040 2.939 10.238 1.00 0.00 H new ATOM 0 HB3 SER A 587 4.069 1.845 11.142 1.00 0.00 H new ATOM 0 HG SER A 587 5.281 3.512 10.077 1.00 0.00 H new ATOM 2054 N ILE A 588 3.077 -1.083 10.553 1.00 0.00 N ATOM 2055 CA ILE A 588 2.336 -2.052 11.341 1.00 0.00 C ATOM 2056 C ILE A 588 3.123 -2.569 12.525 1.00 0.00 C ATOM 2057 O ILE A 588 4.307 -2.891 12.424 1.00 0.00 O ATOM 2058 CB ILE A 588 1.859 -3.245 10.471 1.00 0.00 C ATOM 2059 CG1 ILE A 588 2.509 -3.222 9.087 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.347 -3.229 10.320 1.00 0.00 C ATOM 2061 CD1 ILE A 588 2.057 -2.067 8.223 1.00 0.00 C ATOM 0 H ILE A 588 4.034 -1.351 10.323 1.00 0.00 H new ATOM 0 HA ILE A 588 1.467 -1.519 11.726 1.00 0.00 H new ATOM 0 HB ILE A 588 2.161 -4.159 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 588 3.592 -3.175 9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 588 2.285 -4.157 8.574 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.034 -4.074 9.707 1.00 0.00 H new ATOM 0 HG22 ILE A 588 -0.118 -3.302 11.303 1.00 0.00 H new ATOM 0 HG23 ILE A 588 0.039 -2.299 9.842 1.00 0.00 H new ATOM 0 HD11 ILE A 588 2.560 -2.116 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 588 0.979 -2.124 8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 588 2.306 -1.126 8.714 1.00 0.00 H new ATOM 2073 N VAL A 589 2.426 -2.658 13.648 1.00 0.00 N ATOM 2074 CA VAL A 589 3.016 -3.152 14.881 1.00 0.00 C ATOM 2075 C VAL A 589 2.203 -4.309 15.445 1.00 0.00 C ATOM 2076 O VAL A 589 0.992 -4.391 15.244 1.00 0.00 O ATOM 2077 CB VAL A 589 3.132 -2.040 15.941 1.00 0.00 C ATOM 2078 CG1 VAL A 589 1.766 -1.450 16.252 1.00 0.00 C ATOM 2079 CG2 VAL A 589 3.795 -2.568 17.203 1.00 0.00 C ATOM 0 H VAL A 589 1.445 -2.392 13.730 1.00 0.00 H new ATOM 0 HA VAL A 589 4.019 -3.502 14.637 1.00 0.00 H new ATOM 0 HB VAL A 589 3.759 -1.246 15.537 1.00 0.00 H new ATOM 0 HG11 VAL A 589 1.870 -0.667 17.003 1.00 0.00 H new ATOM 0 HG12 VAL A 589 1.337 -1.027 15.344 1.00 0.00 H new ATOM 0 HG13 VAL A 589 1.110 -2.233 16.633 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.867 -1.767 17.939 1.00 0.00 H new ATOM 0 HG22 VAL A 589 3.200 -3.384 17.613 1.00 0.00 H new ATOM 0 HG23 VAL A 589 4.794 -2.932 16.964 1.00 0.00 H new ATOM 2089 N SER A 590 2.886 -5.205 16.144 1.00 0.00 N ATOM 2090 CA SER A 590 2.239 -6.370 16.733 1.00 0.00 C ATOM 2091 C SER A 590 1.399 -5.980 17.943 1.00 0.00 C ATOM 2092 O SER A 590 1.643 -4.956 18.581 1.00 0.00 O ATOM 2093 CB SER A 590 3.286 -7.409 17.140 1.00 0.00 C ATOM 2094 OG SER A 590 4.423 -6.789 17.714 1.00 0.00 O ATOM 0 H SER A 590 3.890 -5.148 16.317 1.00 0.00 H new ATOM 0 HA SER A 590 1.578 -6.801 15.982 1.00 0.00 H new ATOM 0 HB2 SER A 590 2.850 -8.109 17.853 1.00 0.00 H new ATOM 0 HB3 SER A 590 3.586 -7.989 16.267 1.00 0.00 H new ATOM 0 HG SER A 590 5.076 -7.474 17.967 1.00 0.00 H new