USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot 36:sc= 0.0019 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.22 F(o=-5.5!,f=-2.2) USER MOD Set 2.1: A 50 GLN : amide:sc= -6.71! C(o=-7.3!,f=-8!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.593 USER MOD Set 3.1: A 49 GLN : amide:sc= -3.09! C(o=-14!,f=-14!) USER MOD Set 3.2: A 97 GLN : amide:sc= -10.7! C(o=-14!,f=-14!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -5.86! C(o=-13!,f=-15!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.04! C(o=-13!,f=-17!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 66:sc= 0.151 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00787 USER MOD Single : A 61 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 67 TYR OH : rot -133:sc= 0.462 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0823) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 145:sc= -0.263 (180deg=-1.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 136:sc= 1.25 (180deg=-0.547) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.937 F(o=-3.2!,f=-0.94) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-6.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.035) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.1 (180deg=-0.382) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 107 CYS SG : rot -106:sc= 0.0715 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -5.87! C(o=-8!,f=-5.9!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.187 -12.236 -13.442 1.00 0.00 N ATOM 607 CA ASP A 42 0.597 -11.906 -12.145 1.00 0.00 C ATOM 608 C ASP A 42 1.111 -10.566 -11.623 1.00 0.00 C ATOM 609 O ASP A 42 1.827 -10.511 -10.623 1.00 0.00 O ATOM 610 CB ASP A 42 0.901 -13.011 -11.131 1.00 0.00 C ATOM 611 CG ASP A 42 -0.182 -13.146 -10.080 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.350 -13.375 -10.458 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.137 -13.025 -8.878 1.00 0.00 O ATOM 0 HA ASP A 42 -0.482 -11.825 -12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.015 -13.960 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.853 -12.800 -10.643 1.00 0.00 H new ATOM 618 N TYR A 43 0.741 -9.488 -12.305 1.00 0.00 N ATOM 619 CA TYR A 43 1.169 -8.152 -11.908 1.00 0.00 C ATOM 620 C TYR A 43 0.471 -7.715 -10.622 1.00 0.00 C ATOM 621 O TYR A 43 -0.427 -8.397 -10.127 1.00 0.00 O ATOM 622 CB TYR A 43 0.871 -7.144 -13.020 1.00 0.00 C ATOM 623 CG TYR A 43 1.487 -7.491 -14.360 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.665 -8.227 -14.448 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.889 -7.070 -15.541 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.225 -8.532 -15.673 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.444 -7.373 -16.770 1.00 0.00 C ATOM 628 CZ TYR A 43 2.611 -8.102 -16.831 1.00 0.00 C ATOM 629 OH TYR A 43 3.167 -8.405 -18.053 1.00 0.00 O ATOM 0 H TYR A 43 0.147 -9.513 -13.134 1.00 0.00 H new ATOM 0 HA TYR A 43 2.244 -8.184 -11.730 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.209 -7.063 -13.140 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.232 -6.163 -12.711 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.149 -8.565 -13.544 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.025 -6.496 -15.498 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.139 -9.104 -15.724 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.965 -7.040 -17.679 1.00 0.00 H new ATOM 0 HH TYR A 43 2.611 -8.030 -18.767 1.00 0.00 H new ATOM 639 N ILE A 44 0.883 -6.566 -10.094 1.00 0.00 N ATOM 640 CA ILE A 44 0.290 -6.026 -8.875 1.00 0.00 C ATOM 641 C ILE A 44 -0.493 -4.754 -9.189 1.00 0.00 C ATOM 642 O ILE A 44 0.083 -3.676 -9.337 1.00 0.00 O ATOM 643 CB ILE A 44 1.362 -5.729 -7.801 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.146 -6.997 -7.455 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.720 -5.152 -6.548 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.271 -8.205 -7.204 1.00 0.00 C ATOM 0 H ILE A 44 1.626 -5.991 -10.492 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.386 -6.782 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 44 2.054 -4.992 -8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.834 -7.221 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.752 -6.808 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.491 -4.950 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.204 -4.225 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.004 -5.868 -6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.897 -9.065 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.600 -8.001 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.684 -8.421 -8.097 1.00 0.00 H new ATOM 658 N HIS A 45 -1.807 -4.899 -9.311 1.00 0.00 N ATOM 659 CA HIS A 45 -2.685 -3.779 -9.635 1.00 0.00 C ATOM 660 C HIS A 45 -2.786 -2.776 -8.490 1.00 0.00 C ATOM 661 O HIS A 45 -3.248 -3.103 -7.398 1.00 0.00 O ATOM 662 CB HIS A 45 -4.078 -4.302 -9.988 1.00 0.00 C ATOM 663 CG HIS A 45 -4.503 -3.991 -11.388 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.201 -4.799 -12.465 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.218 -2.956 -11.886 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.713 -4.274 -13.563 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.337 -3.156 -13.239 1.00 0.00 N ATOM 0 H HIS A 45 -2.292 -5.788 -9.189 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.252 -3.258 -10.489 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.098 -5.382 -9.844 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.803 -3.875 -9.295 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.666 -5.666 -12.420 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.620 -2.126 -11.324 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.635 -4.688 -14.557 1.00 0.00 H new ATOM 676 N ILE A 46 -2.367 -1.544 -8.761 1.00 0.00 N ATOM 677 CA ILE A 46 -2.428 -0.473 -7.766 1.00 0.00 C ATOM 678 C ILE A 46 -3.853 0.099 -7.684 1.00 0.00 C ATOM 679 O ILE A 46 -4.708 -0.472 -7.006 1.00 0.00 O ATOM 680 CB ILE A 46 -1.415 0.649 -8.082 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.004 0.079 -8.158 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.491 1.753 -7.037 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.517 -0.453 -6.836 1.00 0.00 C ATOM 0 H ILE A 46 -1.981 -1.260 -9.661 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.162 -0.899 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.669 1.079 -9.051 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.025 -0.723 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.680 0.857 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.769 2.533 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.495 2.177 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.263 1.340 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.527 -0.840 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.529 0.351 -6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.136 -1.253 -6.488 1.00 0.00 H new ATOM 695 N ARG A 47 -4.114 1.213 -8.386 1.00 0.00 N ATOM 696 CA ARG A 47 -5.441 1.832 -8.403 1.00 0.00 C ATOM 697 C ARG A 47 -5.671 2.731 -7.193 1.00 0.00 C ATOM 698 O ARG A 47 -5.508 2.313 -6.048 1.00 0.00 O ATOM 699 CB ARG A 47 -6.541 0.766 -8.476 1.00 0.00 C ATOM 700 CG ARG A 47 -7.671 1.125 -9.427 1.00 0.00 C ATOM 701 CD ARG A 47 -8.872 1.685 -8.683 1.00 0.00 C ATOM 702 NE ARG A 47 -10.132 1.164 -9.208 1.00 0.00 N ATOM 703 CZ ARG A 47 -11.312 1.753 -9.025 1.00 0.00 C ATOM 704 NH1 ARG A 47 -11.400 2.880 -8.330 1.00 0.00 N ATOM 705 NH2 ARG A 47 -12.409 1.211 -9.538 1.00 0.00 N ATOM 0 H ARG A 47 -3.419 1.702 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.486 2.455 -9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.099 -0.180 -8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.952 0.610 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.318 1.858 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.970 0.240 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.790 1.438 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.870 2.772 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.106 0.298 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.560 3.301 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.307 3.326 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.348 0.344 -10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.314 1.661 -9.398 1.00 0.00 H new ATOM 719 N ILE A 48 -6.069 3.970 -7.470 1.00 0.00 N ATOM 720 CA ILE A 48 -6.346 4.949 -6.424 1.00 0.00 C ATOM 721 C ILE A 48 -7.854 5.099 -6.221 1.00 0.00 C ATOM 722 O ILE A 48 -8.642 4.809 -7.122 1.00 0.00 O ATOM 723 CB ILE A 48 -5.737 6.331 -6.771 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.222 6.319 -6.566 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.367 7.440 -5.937 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.556 7.608 -6.998 1.00 0.00 C ATOM 0 H ILE A 48 -6.208 4.321 -8.418 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.887 4.586 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.951 6.530 -7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.005 6.140 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.792 5.489 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.918 8.396 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.439 7.476 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.195 7.242 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.482 7.537 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.745 7.778 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.961 8.438 -6.420 1.00 0.00 H new ATOM 738 N GLN A 49 -8.248 5.565 -5.041 1.00 0.00 N ATOM 739 CA GLN A 49 -9.658 5.769 -4.731 1.00 0.00 C ATOM 740 C GLN A 49 -9.873 7.143 -4.103 1.00 0.00 C ATOM 741 O GLN A 49 -9.987 7.274 -2.884 1.00 0.00 O ATOM 742 CB GLN A 49 -10.176 4.667 -3.804 1.00 0.00 C ATOM 743 CG GLN A 49 -9.521 4.658 -2.432 1.00 0.00 C ATOM 744 CD GLN A 49 -10.521 4.837 -1.307 1.00 0.00 C ATOM 745 OE1 GLN A 49 -10.841 5.960 -0.918 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.019 3.727 -0.777 1.00 0.00 N ATOM 0 H GLN A 49 -7.610 5.809 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.222 5.722 -5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.253 4.785 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.014 3.700 -4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.989 3.717 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.778 5.454 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.725 2.817 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.696 3.784 -0.016 1.00 0.00 H new ATOM 755 N GLN A 50 -9.917 8.168 -4.949 1.00 0.00 N ATOM 756 CA GLN A 50 -10.105 9.537 -4.484 1.00 0.00 C ATOM 757 C GLN A 50 -11.585 9.900 -4.413 1.00 0.00 C ATOM 758 O GLN A 50 -12.197 10.256 -5.420 1.00 0.00 O ATOM 759 CB GLN A 50 -9.370 10.514 -5.406 1.00 0.00 C ATOM 760 CG GLN A 50 -8.600 11.591 -4.661 1.00 0.00 C ATOM 761 CD GLN A 50 -7.479 12.189 -5.487 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.146 11.688 -6.560 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.886 13.268 -4.986 1.00 0.00 N ATOM 0 H GLN A 50 -9.825 8.076 -5.961 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.690 9.609 -3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.679 9.955 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.093 10.989 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.288 12.382 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.185 11.168 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.194 13.651 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.123 13.713 -5.495 1.00 0.00 H new ATOM 772 N ARG A 51 -12.152 9.815 -3.214 1.00 0.00 N ATOM 773 CA ARG A 51 -13.558 10.143 -3.010 1.00 0.00 C ATOM 774 C ARG A 51 -13.760 11.653 -3.030 1.00 0.00 C ATOM 775 O ARG A 51 -13.097 12.388 -2.299 1.00 0.00 O ATOM 776 CB ARG A 51 -14.055 9.564 -1.684 1.00 0.00 C ATOM 777 CG ARG A 51 -14.833 8.267 -1.840 1.00 0.00 C ATOM 778 CD ARG A 51 -14.252 7.157 -0.979 1.00 0.00 C ATOM 779 NE ARG A 51 -14.200 7.529 0.432 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.274 7.619 1.215 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.482 7.364 0.728 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.138 7.964 2.488 1.00 0.00 N ATOM 0 H ARG A 51 -11.660 9.522 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.135 9.702 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.200 9.389 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.688 10.301 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.875 8.432 -1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.823 7.960 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.854 6.256 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.248 6.916 -1.328 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.288 7.732 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.592 7.098 -0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.301 7.434 1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.212 8.160 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.960 8.033 3.088 1.00 0.00 H new ATOM 796 N ASN A 52 -14.675 12.113 -3.876 1.00 0.00 N ATOM 797 CA ASN A 52 -14.957 13.539 -3.996 1.00 0.00 C ATOM 798 C ASN A 52 -13.728 14.295 -4.493 1.00 0.00 C ATOM 799 O ASN A 52 -13.600 15.501 -4.281 1.00 0.00 O ATOM 800 CB ASN A 52 -15.408 14.109 -2.649 1.00 0.00 C ATOM 801 CG ASN A 52 -16.198 15.394 -2.801 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.342 15.383 -3.257 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.590 16.511 -2.420 1.00 0.00 N ATOM 0 H ASN A 52 -15.234 11.519 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.760 13.664 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.018 13.370 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.534 14.295 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.072 17.407 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.641 16.474 -2.048 1.00 0.00 H new ATOM 810 N GLY A 53 -12.825 13.578 -5.158 1.00 0.00 N ATOM 811 CA GLY A 53 -11.620 14.197 -5.675 1.00 0.00 C ATOM 812 C GLY A 53 -10.722 14.735 -4.578 1.00 0.00 C ATOM 813 O GLY A 53 -10.066 15.762 -4.753 1.00 0.00 O ATOM 0 H GLY A 53 -12.908 12.579 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.067 13.468 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.894 15.011 -6.347 1.00 0.00 H new ATOM 817 N ARG A 54 -10.691 14.043 -3.442 1.00 0.00 N ATOM 818 CA ARG A 54 -9.863 14.464 -2.316 1.00 0.00 C ATOM 819 C ARG A 54 -9.417 13.269 -1.481 1.00 0.00 C ATOM 820 O ARG A 54 -8.222 13.041 -1.299 1.00 0.00 O ATOM 821 CB ARG A 54 -10.624 15.456 -1.435 1.00 0.00 C ATOM 822 CG ARG A 54 -11.300 16.573 -2.212 1.00 0.00 C ATOM 823 CD ARG A 54 -11.722 17.710 -1.296 1.00 0.00 C ATOM 824 NE ARG A 54 -12.424 18.766 -2.019 1.00 0.00 N ATOM 825 CZ ARG A 54 -12.846 19.895 -1.456 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.636 20.120 -0.165 1.00 0.00 N ATOM 827 NH2 ARG A 54 -13.479 20.805 -2.185 1.00 0.00 N ATOM 0 H ARG A 54 -11.228 13.191 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.976 14.951 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.378 14.915 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.932 15.894 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.619 16.952 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.173 16.180 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.367 17.320 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.841 18.128 -0.809 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.601 18.630 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.149 19.425 0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.962 20.988 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.642 20.639 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.802 21.670 -1.752 1.00 0.00 H new ATOM 841 N LYS A 55 -10.385 12.512 -0.970 1.00 0.00 N ATOM 842 CA LYS A 55 -10.086 11.342 -0.150 1.00 0.00 C ATOM 843 C LYS A 55 -9.375 10.273 -0.974 1.00 0.00 C ATOM 844 O LYS A 55 -9.964 9.254 -1.335 1.00 0.00 O ATOM 845 CB LYS A 55 -11.374 10.777 0.457 1.00 0.00 C ATOM 846 CG LYS A 55 -11.408 10.843 1.976 1.00 0.00 C ATOM 847 CD LYS A 55 -11.460 12.279 2.469 1.00 0.00 C ATOM 848 CE LYS A 55 -10.626 12.467 3.727 1.00 0.00 C ATOM 849 NZ LYS A 55 -11.180 13.534 4.604 1.00 0.00 N ATOM 0 H LYS A 55 -11.380 12.687 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.422 11.649 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.226 11.327 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.489 9.739 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.277 10.298 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.526 10.349 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.097 12.946 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.494 12.558 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.585 11.528 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.602 12.719 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.584 13.632 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.196 14.436 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.148 13.281 4.889 1.00 0.00 H new ATOM 863 N THR A 56 -8.104 10.518 -1.274 1.00 0.00 N ATOM 864 CA THR A 56 -7.307 9.588 -2.059 1.00 0.00 C ATOM 865 C THR A 56 -6.805 8.434 -1.202 1.00 0.00 C ATOM 866 O THR A 56 -6.223 8.644 -0.137 1.00 0.00 O ATOM 867 CB THR A 56 -6.127 10.319 -2.698 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.288 11.724 -2.593 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.942 9.989 -4.161 1.00 0.00 C ATOM 0 H THR A 56 -7.603 11.358 -0.983 1.00 0.00 H new ATOM 0 HA THR A 56 -7.942 9.176 -2.843 1.00 0.00 H new ATOM 0 HB THR A 56 -5.248 9.980 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.521 12.173 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.088 10.541 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.765 8.919 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.839 10.268 -4.713 1.00 0.00 H new ATOM 877 N LEU A 57 -7.032 7.215 -1.676 1.00 0.00 N ATOM 878 CA LEU A 57 -6.604 6.021 -0.957 1.00 0.00 C ATOM 879 C LEU A 57 -6.072 4.969 -1.930 1.00 0.00 C ATOM 880 O LEU A 57 -6.818 4.112 -2.403 1.00 0.00 O ATOM 881 CB LEU A 57 -7.769 5.451 -0.147 1.00 0.00 C ATOM 882 CG LEU A 57 -7.529 5.354 1.361 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.730 6.710 2.022 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.453 4.314 1.981 1.00 0.00 C ATOM 0 H LEU A 57 -7.511 7.027 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.800 6.296 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.648 6.072 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.002 4.456 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.498 5.041 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.555 6.622 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.029 7.429 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.750 7.052 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.269 4.258 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.491 4.598 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.261 3.341 1.528 1.00 0.00 H new ATOM 896 N THR A 58 -4.779 5.046 -2.228 1.00 0.00 N ATOM 897 CA THR A 58 -4.143 4.108 -3.152 1.00 0.00 C ATOM 898 C THR A 58 -4.194 2.681 -2.617 1.00 0.00 C ATOM 899 O THR A 58 -3.742 2.413 -1.506 1.00 0.00 O ATOM 900 CB THR A 58 -2.689 4.515 -3.393 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.607 5.853 -3.854 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.982 3.638 -4.404 1.00 0.00 C ATOM 0 H THR A 58 -4.148 5.749 -1.843 1.00 0.00 H new ATOM 0 HA THR A 58 -4.693 4.140 -4.093 1.00 0.00 H new ATOM 0 HB THR A 58 -2.197 4.401 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.902 6.462 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.955 3.981 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.980 2.606 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.501 3.694 -5.361 1.00 0.00 H new ATOM 910 N THR A 59 -4.735 1.761 -3.413 1.00 0.00 N ATOM 911 CA THR A 59 -4.823 0.364 -3.002 1.00 0.00 C ATOM 912 C THR A 59 -3.838 -0.501 -3.779 1.00 0.00 C ATOM 913 O THR A 59 -3.395 -0.134 -4.868 1.00 0.00 O ATOM 914 CB THR A 59 -6.243 -0.176 -3.189 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.941 0.570 -4.171 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.066 -0.152 -1.920 1.00 0.00 C ATOM 0 H THR A 59 -5.116 1.957 -4.339 1.00 0.00 H new ATOM 0 HA THR A 59 -4.567 0.321 -1.943 1.00 0.00 H new ATOM 0 HB THR A 59 -6.117 -1.213 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.845 0.207 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.061 -0.548 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.581 -0.764 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.151 0.874 -1.561 1.00 0.00 H new ATOM 924 N VAL A 60 -3.502 -1.654 -3.212 1.00 0.00 N ATOM 925 CA VAL A 60 -2.573 -2.580 -3.847 1.00 0.00 C ATOM 926 C VAL A 60 -3.189 -3.965 -3.987 1.00 0.00 C ATOM 927 O VAL A 60 -3.606 -4.574 -3.000 1.00 0.00 O ATOM 928 CB VAL A 60 -1.261 -2.699 -3.054 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.225 -3.478 -3.848 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.738 -1.321 -2.688 1.00 0.00 C ATOM 0 H VAL A 60 -3.861 -1.970 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.356 -2.175 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.461 -3.245 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.696 -3.551 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.603 -4.479 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.024 -2.963 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.191 -1.422 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.553 -0.749 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.476 -0.802 -2.077 1.00 0.00 H new ATOM 940 N GLN A 61 -3.241 -4.457 -5.219 1.00 0.00 N ATOM 941 CA GLN A 61 -3.803 -5.772 -5.495 1.00 0.00 C ATOM 942 C GLN A 61 -2.752 -6.692 -6.105 1.00 0.00 C ATOM 943 O GLN A 61 -1.846 -6.240 -6.805 1.00 0.00 O ATOM 944 CB GLN A 61 -5.001 -5.653 -6.436 1.00 0.00 C ATOM 945 CG GLN A 61 -6.160 -6.558 -6.055 1.00 0.00 C ATOM 946 CD GLN A 61 -6.892 -7.119 -7.260 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.398 -8.241 -7.226 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.952 -6.341 -8.334 1.00 0.00 N ATOM 0 H GLN A 61 -2.900 -3.963 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.136 -6.203 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.345 -4.619 -6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.682 -5.892 -7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.786 -7.382 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.863 -5.999 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.519 -5.418 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.431 -6.667 -9.174 1.00 0.00 H new ATOM 957 N GLY A 62 -2.880 -7.982 -5.830 1.00 0.00 N ATOM 958 CA GLY A 62 -1.934 -8.950 -6.351 1.00 0.00 C ATOM 959 C GLY A 62 -0.964 -9.426 -5.291 1.00 0.00 C ATOM 960 O GLY A 62 -0.480 -10.557 -5.342 1.00 0.00 O ATOM 0 H GLY A 62 -3.623 -8.377 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.476 -9.805 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.378 -8.505 -7.177 1.00 0.00 H new ATOM 964 N ILE A 63 -0.678 -8.555 -4.329 1.00 0.00 N ATOM 965 CA ILE A 63 0.242 -8.879 -3.248 1.00 0.00 C ATOM 966 C ILE A 63 -0.249 -10.081 -2.448 1.00 0.00 C ATOM 967 O ILE A 63 -1.451 -10.265 -2.253 1.00 0.00 O ATOM 968 CB ILE A 63 0.442 -7.666 -2.309 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.141 -6.519 -3.052 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.236 -8.058 -1.070 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.202 -6.976 -4.030 1.00 0.00 C ATOM 0 H ILE A 63 -1.073 -7.616 -4.277 1.00 0.00 H new ATOM 0 HA ILE A 63 1.201 -9.133 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.542 -7.324 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.392 -5.938 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.598 -5.852 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.362 -7.186 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.700 -8.836 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.215 -8.433 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.649 -6.108 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.974 -7.531 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.749 -7.619 -4.785 1.00 0.00 H new ATOM 983 N ALA A 64 0.694 -10.898 -1.992 1.00 0.00 N ATOM 984 CA ALA A 64 0.371 -12.088 -1.217 1.00 0.00 C ATOM 985 C ALA A 64 0.195 -11.754 0.259 1.00 0.00 C ATOM 986 O ALA A 64 1.013 -11.047 0.848 1.00 0.00 O ATOM 987 CB ALA A 64 1.455 -13.139 -1.398 1.00 0.00 C ATOM 0 H ALA A 64 1.692 -10.756 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.575 -12.487 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.204 -14.025 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.529 -13.408 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.410 -12.739 -1.058 1.00 0.00 H new ATOM 993 N ASP A 65 -0.873 -12.274 0.853 1.00 0.00 N ATOM 994 CA ASP A 65 -1.150 -12.039 2.264 1.00 0.00 C ATOM 995 C ASP A 65 -0.054 -12.639 3.142 1.00 0.00 C ATOM 996 O ASP A 65 0.078 -12.286 4.315 1.00 0.00 O ATOM 997 CB ASP A 65 -2.507 -12.634 2.645 1.00 0.00 C ATOM 998 CG ASP A 65 -2.994 -12.146 3.996 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.389 -12.532 5.018 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.980 -11.381 4.032 1.00 0.00 O ATOM 0 H ASP A 65 -1.560 -12.860 0.380 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.174 -10.962 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.241 -12.375 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.433 -13.721 2.660 1.00 0.00 H new ATOM 1005 N ASP A 66 0.734 -13.546 2.568 1.00 0.00 N ATOM 1006 CA ASP A 66 1.820 -14.191 3.299 1.00 0.00 C ATOM 1007 C ASP A 66 3.014 -13.251 3.458 1.00 0.00 C ATOM 1008 O ASP A 66 3.942 -13.540 4.214 1.00 0.00 O ATOM 1009 CB ASP A 66 2.255 -15.469 2.581 1.00 0.00 C ATOM 1010 CG ASP A 66 1.195 -16.552 2.634 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.005 -16.211 2.796 1.00 0.00 O ATOM 1012 OD2 ASP A 66 1.555 -17.742 2.511 1.00 0.00 O ATOM 0 H ASP A 66 0.640 -13.850 1.599 1.00 0.00 H new ATOM 0 HA ASP A 66 1.451 -14.445 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.483 -15.238 1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.174 -15.842 3.033 1.00 0.00 H new ATOM 1017 N TYR A 67 2.987 -12.126 2.744 1.00 0.00 N ATOM 1018 CA TYR A 67 4.068 -11.150 2.810 1.00 0.00 C ATOM 1019 C TYR A 67 4.351 -10.744 4.255 1.00 0.00 C ATOM 1020 O TYR A 67 3.741 -11.266 5.188 1.00 0.00 O ATOM 1021 CB TYR A 67 3.710 -9.914 1.983 1.00 0.00 C ATOM 1022 CG TYR A 67 3.962 -10.065 0.497 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.195 -11.310 -0.078 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.967 -8.953 -0.330 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.424 -11.436 -1.435 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.195 -9.070 -1.687 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.423 -10.314 -2.235 1.00 0.00 C ATOM 1028 OH TYR A 67 4.651 -10.435 -3.587 1.00 0.00 O ATOM 0 H TYR A 67 2.227 -11.870 2.114 1.00 0.00 H new ATOM 0 HA TYR A 67 4.967 -11.610 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.657 -9.679 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.284 -9.065 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.197 -12.192 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.789 -7.976 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.603 -12.410 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.195 -8.192 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 67 5.306 -9.763 -3.870 1.00 0.00 H new ATOM 1038 N ASP A 68 5.281 -9.810 4.432 1.00 0.00 N ATOM 1039 CA ASP A 68 5.644 -9.334 5.763 1.00 0.00 C ATOM 1040 C ASP A 68 4.414 -8.843 6.523 1.00 0.00 C ATOM 1041 O ASP A 68 4.359 -8.923 7.750 1.00 0.00 O ATOM 1042 CB ASP A 68 6.677 -8.211 5.661 1.00 0.00 C ATOM 1043 CG ASP A 68 7.877 -8.604 4.822 1.00 0.00 C ATOM 1044 OD1 ASP A 68 8.517 -9.625 5.144 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.175 -7.889 3.842 1.00 0.00 O ATOM 0 H ASP A 68 5.797 -9.368 3.671 1.00 0.00 H new ATOM 0 HA ASP A 68 6.077 -10.169 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.208 -7.328 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.011 -7.936 6.662 1.00 0.00 H new ATOM 1050 N LYS A 69 3.433 -8.335 5.784 1.00 0.00 N ATOM 1051 CA LYS A 69 2.203 -7.828 6.382 1.00 0.00 C ATOM 1052 C LYS A 69 2.486 -6.605 7.249 1.00 0.00 C ATOM 1053 O LYS A 69 2.224 -5.471 6.845 1.00 0.00 O ATOM 1054 CB LYS A 69 1.526 -8.922 7.214 1.00 0.00 C ATOM 1055 CG LYS A 69 0.106 -9.234 6.766 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.898 -9.001 7.885 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.047 -10.232 8.763 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.978 -11.230 8.167 1.00 0.00 N ATOM 0 H LYS A 69 3.466 -8.263 4.767 1.00 0.00 H new ATOM 0 HA LYS A 69 1.530 -7.530 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.124 -9.832 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.509 -8.614 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.151 -8.610 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.048 -10.271 6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.577 -8.155 8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.866 -8.738 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.070 -10.691 8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.414 -9.935 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.052 -12.055 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.917 -10.800 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.615 -11.533 7.241 1.00 0.00 H new ATOM 1072 N LYS A 70 3.028 -6.840 8.440 1.00 0.00 N ATOM 1073 CA LYS A 70 3.351 -5.753 9.357 1.00 0.00 C ATOM 1074 C LYS A 70 4.291 -4.755 8.694 1.00 0.00 C ATOM 1075 O LYS A 70 3.902 -3.629 8.389 1.00 0.00 O ATOM 1076 CB LYS A 70 3.988 -6.303 10.634 1.00 0.00 C ATOM 1077 CG LYS A 70 3.011 -7.054 11.527 1.00 0.00 C ATOM 1078 CD LYS A 70 3.205 -8.560 11.430 1.00 0.00 C ATOM 1079 CE LYS A 70 3.308 -9.198 12.805 1.00 0.00 C ATOM 1080 NZ LYS A 70 2.082 -8.964 13.619 1.00 0.00 N ATOM 0 H LYS A 70 3.252 -7.771 8.792 1.00 0.00 H new ATOM 0 HA LYS A 70 2.425 -5.240 9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.807 -6.970 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.422 -5.478 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.144 -6.736 12.561 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.990 -6.799 11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.371 -9.001 10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.108 -8.776 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.473 -10.270 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.174 -8.794 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.068 -9.623 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.081 -7.986 13.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.239 -9.120 13.030 1.00 0.00 H new ATOM 1094 N LYS A 71 5.529 -5.180 8.462 1.00 0.00 N ATOM 1095 CA LYS A 71 6.523 -4.324 7.825 1.00 0.00 C ATOM 1096 C LYS A 71 6.049 -3.874 6.445 1.00 0.00 C ATOM 1097 O LYS A 71 6.518 -2.868 5.913 1.00 0.00 O ATOM 1098 CB LYS A 71 7.860 -5.061 7.706 1.00 0.00 C ATOM 1099 CG LYS A 71 9.046 -4.254 8.212 1.00 0.00 C ATOM 1100 CD LYS A 71 10.366 -4.915 7.848 1.00 0.00 C ATOM 1101 CE LYS A 71 10.825 -4.514 6.454 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.264 -4.130 6.433 1.00 0.00 N ATOM 0 H LYS A 71 5.867 -6.111 8.705 1.00 0.00 H new ATOM 0 HA LYS A 71 6.659 -3.440 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.802 -5.995 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.029 -5.324 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.012 -3.250 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.978 -4.146 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.127 -4.636 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.258 -5.998 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.660 -5.342 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.221 -3.679 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.538 -3.863 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.417 -3.323 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.843 -4.935 6.747 1.00 0.00 H new ATOM 1116 N LEU A 72 5.113 -4.626 5.869 1.00 0.00 N ATOM 1117 CA LEU A 72 4.573 -4.306 4.552 1.00 0.00 C ATOM 1118 C LEU A 72 4.031 -2.879 4.513 1.00 0.00 C ATOM 1119 O LEU A 72 4.570 -2.019 3.817 1.00 0.00 O ATOM 1120 CB LEU A 72 3.464 -5.297 4.183 1.00 0.00 C ATOM 1121 CG LEU A 72 3.135 -5.383 2.690 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.995 -6.360 2.451 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.782 -4.007 2.145 1.00 0.00 C ATOM 0 H LEU A 72 4.713 -5.462 6.295 1.00 0.00 H new ATOM 0 HA LEU A 72 5.382 -4.384 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.754 -6.288 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.558 -5.021 4.723 1.00 0.00 H new ATOM 0 HG LEU A 72 4.016 -5.748 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.775 -6.408 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.283 -7.349 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.109 -6.024 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.551 -4.085 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.915 -3.616 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.627 -3.333 2.284 1.00 0.00 H new ATOM 1135 N VAL A 73 2.956 -2.637 5.257 1.00 0.00 N ATOM 1136 CA VAL A 73 2.338 -1.317 5.297 1.00 0.00 C ATOM 1137 C VAL A 73 2.947 -0.447 6.396 1.00 0.00 C ATOM 1138 O VAL A 73 3.014 0.774 6.265 1.00 0.00 O ATOM 1139 CB VAL A 73 0.810 -1.425 5.503 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.474 -1.768 6.948 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.117 -0.141 5.075 1.00 0.00 C ATOM 0 H VAL A 73 2.496 -3.337 5.839 1.00 0.00 H new ATOM 0 HA VAL A 73 2.532 -0.843 4.335 1.00 0.00 H new ATOM 0 HB VAL A 73 0.443 -2.236 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.608 -1.837 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.929 -2.723 7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.860 -0.989 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.958 -0.239 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.494 0.691 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.317 0.046 4.020 1.00 0.00 H new ATOM 1151 N LYS A 74 3.395 -1.084 7.473 1.00 0.00 N ATOM 1152 CA LYS A 74 4.003 -0.362 8.585 1.00 0.00 C ATOM 1153 C LYS A 74 5.227 0.414 8.114 1.00 0.00 C ATOM 1154 O LYS A 74 5.441 1.560 8.510 1.00 0.00 O ATOM 1155 CB LYS A 74 4.402 -1.332 9.696 1.00 0.00 C ATOM 1156 CG LYS A 74 4.881 -0.643 10.964 1.00 0.00 C ATOM 1157 CD LYS A 74 6.333 -0.203 10.846 1.00 0.00 C ATOM 1158 CE LYS A 74 7.120 -0.535 12.103 1.00 0.00 C ATOM 1159 NZ LYS A 74 7.024 -1.979 12.454 1.00 0.00 N ATOM 0 H LYS A 74 3.349 -2.095 7.599 1.00 0.00 H new ATOM 0 HA LYS A 74 3.268 0.342 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.549 -1.966 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.192 -1.987 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.253 0.224 11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.773 -1.321 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.794 -0.692 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.375 0.871 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.166 -0.266 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.748 0.066 12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.926 -2.298 12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.261 -2.118 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.818 -2.532 11.597 1.00 0.00 H new ATOM 1173 N ALA A 75 6.025 -0.219 7.261 1.00 0.00 N ATOM 1174 CA ALA A 75 7.226 0.408 6.729 1.00 0.00 C ATOM 1175 C ALA A 75 6.871 1.621 5.878 1.00 0.00 C ATOM 1176 O ALA A 75 7.633 2.584 5.803 1.00 0.00 O ATOM 1177 CB ALA A 75 8.032 -0.594 5.917 1.00 0.00 C ATOM 0 H ALA A 75 5.860 -1.167 6.924 1.00 0.00 H new ATOM 0 HA ALA A 75 7.835 0.746 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.927 -0.110 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.321 -1.430 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.427 -0.961 5.088 1.00 0.00 H new ATOM 1183 N PHE A 76 5.703 1.568 5.241 1.00 0.00 N ATOM 1184 CA PHE A 76 5.244 2.667 4.399 1.00 0.00 C ATOM 1185 C PHE A 76 5.170 3.962 5.202 1.00 0.00 C ATOM 1186 O PHE A 76 5.608 5.017 4.745 1.00 0.00 O ATOM 1187 CB PHE A 76 3.871 2.345 3.805 1.00 0.00 C ATOM 1188 CG PHE A 76 3.608 3.042 2.499 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.049 2.493 1.305 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.919 4.245 2.466 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.809 3.129 0.105 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.676 4.885 1.265 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.122 4.325 0.083 1.00 0.00 C ATOM 0 H PHE A 76 5.060 0.778 5.292 1.00 0.00 H new ATOM 0 HA PHE A 76 5.960 2.797 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.791 1.268 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.098 2.626 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.587 1.556 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.569 4.686 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.159 2.691 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.138 5.821 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.933 4.823 -0.857 1.00 0.00 H new ATOM 1203 N LYS A 77 4.615 3.869 6.405 1.00 0.00 N ATOM 1204 CA LYS A 77 4.482 5.025 7.279 1.00 0.00 C ATOM 1205 C LYS A 77 5.845 5.492 7.791 1.00 0.00 C ATOM 1206 O LYS A 77 5.963 6.577 8.357 1.00 0.00 O ATOM 1207 CB LYS A 77 3.572 4.684 8.457 1.00 0.00 C ATOM 1208 CG LYS A 77 2.260 4.040 8.042 1.00 0.00 C ATOM 1209 CD LYS A 77 1.172 4.270 9.080 1.00 0.00 C ATOM 1210 CE LYS A 77 0.347 3.013 9.309 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.363 3.045 10.616 1.00 0.00 N ATOM 0 H LYS A 77 4.249 3.001 6.797 1.00 0.00 H new ATOM 0 HA LYS A 77 4.041 5.838 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.101 4.011 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.360 5.594 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.941 4.448 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.408 2.969 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.625 4.586 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.520 5.080 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.380 2.904 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.998 2.140 9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.914 2.171 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.331 3.123 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.004 3.864 10.643 1.00 0.00 H new ATOM 1225 N LYS A 78 6.870 4.668 7.594 1.00 0.00 N ATOM 1226 CA LYS A 78 8.216 5.009 8.039 1.00 0.00 C ATOM 1227 C LYS A 78 9.055 5.561 6.889 1.00 0.00 C ATOM 1228 O LYS A 78 10.075 6.214 7.112 1.00 0.00 O ATOM 1229 CB LYS A 78 8.902 3.780 8.635 1.00 0.00 C ATOM 1230 CG LYS A 78 10.216 4.095 9.330 1.00 0.00 C ATOM 1231 CD LYS A 78 11.234 2.983 9.129 1.00 0.00 C ATOM 1232 CE LYS A 78 12.644 3.536 8.989 1.00 0.00 C ATOM 1233 NZ LYS A 78 13.222 3.922 10.306 1.00 0.00 N ATOM 0 H LYS A 78 6.794 3.762 7.131 1.00 0.00 H new ATOM 0 HA LYS A 78 8.130 5.782 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.227 3.308 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.085 3.055 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.618 5.032 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.039 4.240 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.194 2.295 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.977 2.410 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.282 2.789 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.630 4.404 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.183 4.294 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.627 4.654 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.260 3.088 10.926 1.00 0.00 H new ATOM 1247 N LYS A 79 8.629 5.288 5.659 1.00 0.00 N ATOM 1248 CA LYS A 79 9.352 5.751 4.481 1.00 0.00 C ATOM 1249 C LYS A 79 8.696 6.983 3.863 1.00 0.00 C ATOM 1250 O LYS A 79 9.382 7.881 3.377 1.00 0.00 O ATOM 1251 CB LYS A 79 9.438 4.634 3.441 1.00 0.00 C ATOM 1252 CG LYS A 79 10.273 4.997 2.225 1.00 0.00 C ATOM 1253 CD LYS A 79 10.372 3.836 1.249 1.00 0.00 C ATOM 1254 CE LYS A 79 11.444 4.079 0.200 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.814 4.014 0.780 1.00 0.00 N ATOM 0 H LYS A 79 7.788 4.749 5.453 1.00 0.00 H new ATOM 0 HA LYS A 79 10.356 6.030 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.861 3.745 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.431 4.374 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.832 5.858 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.273 5.292 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.596 2.919 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.409 3.688 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.350 3.337 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.289 5.056 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.432 3.465 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.193 4.977 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.775 3.555 1.712 1.00 0.00 H new ATOM 1269 N PHE A 80 7.367 7.016 3.873 1.00 0.00 N ATOM 1270 CA PHE A 80 6.631 8.139 3.296 1.00 0.00 C ATOM 1271 C PHE A 80 5.863 8.918 4.361 1.00 0.00 C ATOM 1272 O PHE A 80 5.400 10.031 4.109 1.00 0.00 O ATOM 1273 CB PHE A 80 5.665 7.640 2.220 1.00 0.00 C ATOM 1274 CG PHE A 80 6.254 6.585 1.327 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.162 5.245 1.665 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.904 6.934 0.154 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.705 4.272 0.849 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.449 5.964 -0.667 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.349 4.632 -0.318 1.00 0.00 C ATOM 0 H PHE A 80 6.779 6.284 4.271 1.00 0.00 H new ATOM 0 HA PHE A 80 7.360 8.814 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.773 7.240 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.346 8.485 1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.660 4.958 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.986 7.975 -0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.626 3.230 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.952 6.248 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.774 3.872 -0.957 1.00 0.00 H new ATOM 1289 N ALA A 81 5.722 8.335 5.549 1.00 0.00 N ATOM 1290 CA ALA A 81 5.004 8.988 6.637 1.00 0.00 C ATOM 1291 C ALA A 81 3.523 9.126 6.303 1.00 0.00 C ATOM 1292 O ALA A 81 2.867 10.082 6.714 1.00 0.00 O ATOM 1293 CB ALA A 81 5.614 10.352 6.937 1.00 0.00 C ATOM 0 H ALA A 81 6.095 7.414 5.781 1.00 0.00 H new ATOM 0 HA ALA A 81 5.095 8.365 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.065 10.825 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.658 10.228 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.556 10.980 6.048 1.00 0.00 H new ATOM 1299 N CYS A 82 3.004 8.159 5.553 1.00 0.00 N ATOM 1300 CA CYS A 82 1.600 8.165 5.161 1.00 0.00 C ATOM 1301 C CYS A 82 0.794 7.204 6.027 1.00 0.00 C ATOM 1302 O CYS A 82 1.330 6.587 6.946 1.00 0.00 O ATOM 1303 CB CYS A 82 1.459 7.783 3.687 1.00 0.00 C ATOM 1304 SG CYS A 82 2.272 8.926 2.546 1.00 0.00 S ATOM 0 H CYS A 82 3.535 7.361 5.205 1.00 0.00 H new ATOM 0 HA CYS A 82 1.210 9.173 5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.872 6.785 3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.400 7.729 3.437 1.00 0.00 H new ATOM 0 HG CYS A 82 3.366 9.374 3.087 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.493 7.076 5.725 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.366 6.187 6.472 1.00 0.00 C ATOM 1312 C ASN A 83 -1.798 5.018 5.589 1.00 0.00 C ATOM 1313 O ASN A 83 -2.488 5.204 4.587 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.583 6.965 6.995 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.831 6.115 7.118 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.495 5.882 5.993 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.193 5.671 8.208 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.953 7.579 4.966 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.826 5.785 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.343 7.388 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.786 7.801 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.651 5.876 9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.035 5.098 8.271 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.375 3.816 5.960 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.718 2.639 5.187 1.00 0.00 C ATOM 1326 C GLY A 84 -2.600 1.674 5.952 1.00 0.00 C ATOM 1327 O GLY A 84 -2.356 1.395 7.126 1.00 0.00 O ATOM 0 H GLY A 84 -0.800 3.636 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.228 2.945 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.804 2.128 4.885 1.00 0.00 H new ATOM 1331 N THR A 85 -3.627 1.164 5.283 1.00 0.00 N ATOM 1332 CA THR A 85 -4.552 0.222 5.906 1.00 0.00 C ATOM 1333 C THR A 85 -4.782 -0.996 5.015 1.00 0.00 C ATOM 1334 O THR A 85 -5.058 -0.862 3.824 1.00 0.00 O ATOM 1335 CB THR A 85 -5.887 0.908 6.204 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.478 1.395 5.013 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.761 2.070 7.165 1.00 0.00 C ATOM 0 H THR A 85 -3.841 1.386 4.311 1.00 0.00 H new ATOM 0 HA THR A 85 -4.106 -0.117 6.841 1.00 0.00 H new ATOM 0 HB THR A 85 -6.509 0.142 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.331 1.829 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.743 2.511 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.355 1.716 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.093 2.821 6.742 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.671 -2.183 5.606 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.870 -3.427 4.869 1.00 0.00 C ATOM 1347 C VAL A 86 -6.347 -3.811 4.834 1.00 0.00 C ATOM 1348 O VAL A 86 -6.748 -4.840 5.381 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.055 -4.581 5.489 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.496 -4.845 6.921 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.179 -5.842 4.643 1.00 0.00 C ATOM 0 H VAL A 86 -4.444 -2.309 6.592 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.521 -3.257 3.850 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.006 -4.286 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.908 -5.663 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.345 -3.947 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.552 -5.115 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.597 -6.644 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.226 -6.141 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.803 -5.645 3.639 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.155 -2.975 4.190 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.588 -3.226 4.085 1.00 0.00 C ATOM 1363 C ILE A 87 -8.874 -4.444 3.214 1.00 0.00 C ATOM 1364 O ILE A 87 -8.100 -4.772 2.314 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.333 -2.014 3.493 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.706 -1.603 2.160 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.322 -0.849 4.470 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.723 -1.251 1.096 1.00 0.00 C ATOM 0 H ILE A 87 -6.842 -2.118 3.733 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.945 -3.409 5.098 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.370 -2.300 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.053 -0.746 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.079 -2.417 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.853 -0.003 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.813 -1.147 5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.292 -0.561 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.207 -0.969 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.361 -2.113 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.334 -0.416 1.439 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.996 -5.103 3.480 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.394 -6.276 2.715 1.00 0.00 C ATOM 1382 C GLU A 88 -11.474 -5.909 1.705 1.00 0.00 C ATOM 1383 O GLU A 88 -12.645 -6.246 1.877 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.901 -7.376 3.647 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.766 -8.771 3.063 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.298 -9.847 3.987 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.092 -9.514 4.892 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.921 -11.024 3.807 1.00 0.00 O ATOM 0 H GLU A 88 -10.647 -4.843 4.221 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.521 -6.648 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.350 -7.329 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.949 -7.188 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.300 -8.816 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.716 -8.970 2.847 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.069 -5.207 0.652 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.993 -4.779 -0.390 1.00 0.00 C ATOM 1397 C HIS A 89 -12.774 -5.963 -0.960 1.00 0.00 C ATOM 1398 O HIS A 89 -12.196 -7.007 -1.260 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.224 -4.075 -1.510 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.993 -2.971 -2.165 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.463 -3.049 -3.458 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.370 -1.757 -1.701 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.099 -1.931 -3.762 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.058 -1.130 -2.712 1.00 0.00 N ATOM 0 H HIS A 89 -10.102 -4.922 0.498 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.707 -4.085 0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.298 -3.669 -1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.946 -4.810 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.168 -1.356 -0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.572 -1.710 -4.708 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.470 -0.198 -2.660 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.101 -5.816 -1.124 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.949 -6.878 -1.667 1.00 0.00 C ATOM 1415 C PRO A 90 -14.824 -6.997 -3.184 1.00 0.00 C ATOM 1416 O PRO A 90 -15.211 -8.006 -3.773 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.356 -6.426 -1.280 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.275 -4.940 -1.255 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.879 -4.602 -0.799 1.00 0.00 C ATOM 0 HA PRO A 90 -14.678 -7.861 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.097 -6.771 -2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.648 -6.824 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.474 -4.523 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.018 -4.521 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.489 -3.726 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.849 -4.381 0.268 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.277 -5.958 -3.808 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.094 -5.935 -5.253 1.00 0.00 C ATOM 1429 C GLU A 91 -12.821 -6.674 -5.654 1.00 0.00 C ATOM 1430 O GLU A 91 -12.688 -7.133 -6.788 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.036 -4.489 -5.746 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.123 -4.135 -6.747 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.516 -4.241 -6.157 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.888 -5.345 -5.706 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.235 -3.219 -6.144 1.00 0.00 O ATOM 0 H GLU A 91 -13.952 -5.117 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.942 -6.441 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.113 -3.820 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.063 -4.310 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.962 -3.119 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.047 -4.797 -7.610 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.882 -6.779 -4.717 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.615 -7.453 -4.978 1.00 0.00 C ATOM 1444 C TYR A 92 -10.376 -8.577 -3.975 1.00 0.00 C ATOM 1445 O TYR A 92 -10.103 -9.715 -4.357 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.464 -6.446 -4.922 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.848 -5.069 -5.417 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.489 -4.908 -6.638 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.581 -3.935 -4.660 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.850 -3.656 -7.094 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.941 -2.678 -5.109 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.576 -2.544 -6.326 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.935 -1.295 -6.776 1.00 0.00 O ATOM 0 H TYR A 92 -11.975 -6.406 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.661 -7.891 -5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.108 -6.369 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.633 -6.821 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.709 -5.777 -7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.085 -4.037 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.345 -3.548 -8.048 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.726 -1.805 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.671 -0.621 -6.115 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.481 -8.251 -2.692 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.274 -9.245 -1.656 1.00 0.00 C ATOM 1465 C GLY A 93 -8.889 -9.167 -1.045 1.00 0.00 C ATOM 1466 O GLY A 93 -7.915 -9.637 -1.635 1.00 0.00 O ATOM 0 H GLY A 93 -10.706 -7.316 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.021 -9.110 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.427 -10.239 -2.075 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.802 -8.575 0.141 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.528 -8.438 0.837 1.00 0.00 C ATOM 1472 C GLU A 94 -6.553 -7.581 0.036 1.00 0.00 C ATOM 1473 O GLU A 94 -5.682 -8.100 -0.662 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.917 -9.814 1.105 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.232 -9.924 2.457 1.00 0.00 C ATOM 1476 CD GLU A 94 -7.217 -9.957 3.609 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.696 -11.059 3.949 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -7.512 -8.881 4.169 1.00 0.00 O ATOM 0 H GLU A 94 -9.599 -8.182 0.641 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.718 -7.941 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.701 -10.569 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.194 -10.040 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.623 -10.828 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.555 -9.080 2.587 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.703 -6.265 0.144 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.836 -5.333 -0.565 1.00 0.00 C ATOM 1487 C VAL A 95 -5.349 -4.229 0.365 1.00 0.00 C ATOM 1488 O VAL A 95 -6.100 -3.743 1.211 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.553 -4.694 -1.767 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.716 -5.705 -2.893 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.900 -4.129 -1.346 1.00 0.00 C ATOM 0 H VAL A 95 -7.419 -5.820 0.718 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.984 -5.908 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.941 -3.872 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.225 -5.234 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.734 -6.055 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.305 -6.551 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.393 -3.681 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.523 -4.931 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.752 -3.370 -0.578 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.096 -3.829 0.197 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.521 -2.771 1.019 1.00 0.00 C ATOM 1503 C ILE A 96 -3.941 -1.412 0.478 1.00 0.00 C ATOM 1504 O ILE A 96 -3.914 -1.186 -0.727 1.00 0.00 O ATOM 1505 CB ILE A 96 -1.977 -2.879 1.076 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.562 -3.796 2.233 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.324 -1.507 1.212 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.577 -3.120 3.589 1.00 0.00 C ATOM 0 H ILE A 96 -3.460 -4.219 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.897 -2.883 2.036 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.630 -3.311 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.231 -4.656 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.560 -4.178 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.241 -1.622 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.594 -0.889 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.670 -1.029 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.272 -3.833 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.886 -2.277 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.584 -2.763 3.806 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.343 -0.515 1.372 1.00 0.00 N ATOM 1521 CA GLN A 97 -4.785 0.813 0.962 1.00 0.00 C ATOM 1522 C GLN A 97 -4.009 1.910 1.677 1.00 0.00 C ATOM 1523 O GLN A 97 -4.076 2.044 2.898 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.282 0.978 1.229 1.00 0.00 C ATOM 1525 CG GLN A 97 -6.944 2.023 0.346 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.451 1.859 0.276 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.057 2.030 -0.780 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.064 1.529 1.408 1.00 0.00 N ATOM 0 H GLN A 97 -4.372 -0.681 2.378 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.593 0.908 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.778 0.019 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.429 1.251 2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.708 3.017 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.528 1.959 -0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.522 1.397 2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.077 1.408 1.423 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.281 2.701 0.897 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.500 3.803 1.434 1.00 0.00 C ATOM 1539 C LEU A 98 -3.256 5.114 1.276 1.00 0.00 C ATOM 1540 O LEU A 98 -4.142 5.228 0.433 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.151 3.896 0.728 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.468 2.555 0.463 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.309 2.599 -0.844 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.447 2.190 1.621 1.00 0.00 C ATOM 0 H LEU A 98 -3.217 2.596 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.330 3.617 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.290 4.410 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.484 4.514 1.330 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.236 1.786 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.788 1.635 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.373 2.816 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.070 3.378 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.927 1.232 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.210 2.960 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.138 2.116 2.538 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.902 6.099 2.089 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.555 7.403 2.034 1.00 0.00 C ATOM 1558 C GLN A 99 -2.892 8.309 1.002 1.00 0.00 C ATOM 1559 O GLN A 99 -1.668 8.330 0.875 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.529 8.070 3.411 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.911 8.321 3.993 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.369 9.755 3.809 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.743 10.688 4.311 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.468 9.935 3.087 1.00 0.00 N ATOM 0 H GLN A 99 -2.168 6.022 2.794 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.591 7.246 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.963 7.442 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.998 9.019 3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.628 7.651 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.903 8.079 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.955 9.131 2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.826 10.877 2.929 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.710 9.061 0.270 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.187 9.963 -0.739 1.00 0.00 C ATOM 1575 C GLY A 100 -2.882 9.259 -2.048 1.00 0.00 C ATOM 1576 O GLY A 100 -3.045 8.044 -2.159 1.00 0.00 O ATOM 0 H GLY A 100 -4.726 9.061 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.909 10.760 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.279 10.435 -0.364 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.431 10.023 -3.038 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.096 9.463 -4.341 1.00 0.00 C ATOM 1582 C ASP A 101 -0.704 8.840 -4.313 1.00 0.00 C ATOM 1583 O ASP A 101 0.279 9.471 -4.702 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.167 10.542 -5.423 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.382 11.787 -5.053 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.578 11.721 -4.100 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -1.573 12.827 -5.717 1.00 0.00 O ATOM 0 H ASP A 101 -2.290 11.030 -2.962 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.823 8.685 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.782 10.139 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.209 10.811 -5.596 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.630 7.601 -3.843 1.00 0.00 N ATOM 1593 CA GLN A 102 0.634 6.886 -3.750 1.00 0.00 C ATOM 1594 C GLN A 102 0.864 6.010 -4.978 1.00 0.00 C ATOM 1595 O GLN A 102 1.774 5.186 -4.995 1.00 0.00 O ATOM 1596 CB GLN A 102 0.654 6.023 -2.486 1.00 0.00 C ATOM 1597 CG GLN A 102 1.366 6.671 -1.307 1.00 0.00 C ATOM 1598 CD GLN A 102 0.976 8.124 -1.104 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.299 8.431 -1.309 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.813 8.961 -0.766 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.437 7.069 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 102 1.436 7.622 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.372 5.795 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.139 5.074 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.140 6.110 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.443 6.608 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.783 8.682 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.537 9.934 -0.633 1.00 0.00 H new ATOM 1609 N ARG A 103 0.039 6.194 -6.007 1.00 0.00 N ATOM 1610 CA ARG A 103 0.167 5.414 -7.234 1.00 0.00 C ATOM 1611 C ARG A 103 1.611 5.405 -7.733 1.00 0.00 C ATOM 1612 O ARG A 103 2.033 4.480 -8.426 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.757 5.975 -8.318 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.521 7.446 -8.618 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.438 7.941 -9.725 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.852 9.327 -9.516 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.107 10.381 -9.840 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.092 10.214 -10.386 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -1.561 11.607 -9.618 1.00 0.00 N ATOM 0 H ARG A 103 -0.722 6.874 -6.015 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.124 4.387 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.620 5.400 -9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.793 5.838 -8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.688 8.034 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.518 7.597 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.927 7.856 -10.684 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.320 7.303 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.766 9.496 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.447 9.274 -10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.658 11.026 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.481 11.742 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.990 12.415 -9.866 1.00 0.00 H new ATOM 1633 N LYS A 104 2.364 6.441 -7.373 1.00 0.00 N ATOM 1634 CA LYS A 104 3.758 6.552 -7.781 1.00 0.00 C ATOM 1635 C LYS A 104 4.702 6.178 -6.639 1.00 0.00 C ATOM 1636 O LYS A 104 5.861 5.833 -6.871 1.00 0.00 O ATOM 1637 CB LYS A 104 4.056 7.976 -8.254 1.00 0.00 C ATOM 1638 CG LYS A 104 5.334 8.093 -9.068 1.00 0.00 C ATOM 1639 CD LYS A 104 5.229 7.342 -10.385 1.00 0.00 C ATOM 1640 CE LYS A 104 4.090 7.873 -11.242 1.00 0.00 C ATOM 1641 NZ LYS A 104 4.059 9.362 -11.264 1.00 0.00 N ATOM 0 H LYS A 104 2.030 7.215 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 104 3.923 5.855 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.219 8.333 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.127 8.631 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.546 9.144 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.171 7.701 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.168 7.431 -10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.073 6.281 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.196 7.497 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.142 7.496 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.591 9.687 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.533 9.711 -10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.031 9.730 -11.236 1.00 0.00 H new ATOM 1655 N ASN A 105 4.205 6.252 -5.406 1.00 0.00 N ATOM 1656 CA ASN A 105 5.017 5.924 -4.238 1.00 0.00 C ATOM 1657 C ASN A 105 4.915 4.442 -3.892 1.00 0.00 C ATOM 1658 O ASN A 105 5.912 3.806 -3.552 1.00 0.00 O ATOM 1659 CB ASN A 105 4.581 6.766 -3.037 1.00 0.00 C ATOM 1660 CG ASN A 105 5.309 8.094 -2.966 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.525 8.139 -2.784 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.565 9.185 -3.109 1.00 0.00 N ATOM 0 H ASN A 105 3.249 6.535 -5.191 1.00 0.00 H new ATOM 0 HA ASN A 105 6.056 6.149 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.507 6.946 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.762 6.206 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.999 10.107 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.560 9.101 -3.258 1.00 0.00 H new ATOM 1669 N ILE A 106 3.706 3.898 -3.972 1.00 0.00 N ATOM 1670 CA ILE A 106 3.486 2.493 -3.658 1.00 0.00 C ATOM 1671 C ILE A 106 4.293 1.587 -4.580 1.00 0.00 C ATOM 1672 O ILE A 106 5.013 0.703 -4.114 1.00 0.00 O ATOM 1673 CB ILE A 106 1.993 2.116 -3.723 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.778 0.708 -3.169 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.467 2.215 -5.148 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.347 0.503 -1.779 1.00 0.00 C ATOM 0 H ILE A 106 2.867 4.407 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 106 3.828 2.344 -2.634 1.00 0.00 H new ATOM 0 HB ILE A 106 1.435 2.823 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.709 0.495 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.234 -0.013 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.411 1.944 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.585 3.237 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.027 1.536 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.155 -0.520 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.422 0.683 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.874 1.198 -1.086 1.00 0.00 H new ATOM 1688 N CYS A 107 4.198 1.820 -5.888 1.00 0.00 N ATOM 1689 CA CYS A 107 4.957 1.027 -6.849 1.00 0.00 C ATOM 1690 C CYS A 107 6.441 1.146 -6.528 1.00 0.00 C ATOM 1691 O CYS A 107 7.208 0.191 -6.665 1.00 0.00 O ATOM 1692 CB CYS A 107 4.682 1.503 -8.277 1.00 0.00 C ATOM 1693 SG CYS A 107 4.992 3.265 -8.542 1.00 0.00 S ATOM 0 H CYS A 107 3.610 2.543 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 107 4.650 -0.016 -6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.302 0.929 -8.965 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.643 1.286 -8.527 1.00 0.00 H new ATOM 0 HG CYS A 107 3.859 3.897 -8.630 1.00 0.00 H new ATOM 1699 N GLN A 108 6.821 2.334 -6.070 1.00 0.00 N ATOM 1700 CA GLN A 108 8.193 2.617 -5.685 1.00 0.00 C ATOM 1701 C GLN A 108 8.521 1.880 -4.388 1.00 0.00 C ATOM 1702 O GLN A 108 9.649 1.439 -4.177 1.00 0.00 O ATOM 1703 CB GLN A 108 8.374 4.138 -5.536 1.00 0.00 C ATOM 1704 CG GLN A 108 9.442 4.574 -4.542 1.00 0.00 C ATOM 1705 CD GLN A 108 10.751 4.940 -5.215 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.607 3.946 -5.422 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.988 6.102 -5.546 1.00 0.00 N flip ATOM 0 H GLN A 108 6.186 3.124 -5.957 1.00 0.00 H new ATOM 0 HA GLN A 108 8.883 2.266 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.619 4.555 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.421 4.572 -5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.077 5.431 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.618 3.770 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.300 6.834 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.872 6.333 -5.999 1.00 0.00 H new ATOM 1716 N PHE A 109 7.514 1.743 -3.529 1.00 0.00 N ATOM 1717 CA PHE A 109 7.674 1.051 -2.256 1.00 0.00 C ATOM 1718 C PHE A 109 7.786 -0.453 -2.474 1.00 0.00 C ATOM 1719 O PHE A 109 8.627 -1.119 -1.870 1.00 0.00 O ATOM 1720 CB PHE A 109 6.485 1.354 -1.340 1.00 0.00 C ATOM 1721 CG PHE A 109 6.522 0.608 -0.038 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.468 0.919 0.923 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.611 -0.403 0.225 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.507 0.236 2.123 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.644 -1.089 1.423 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.593 -0.768 2.373 1.00 0.00 C ATOM 0 H PHE A 109 6.575 2.105 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 109 8.591 1.406 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.459 2.424 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.562 1.107 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.184 1.705 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.867 -0.657 -0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.251 0.487 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.929 -1.875 1.616 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.620 -1.302 3.311 1.00 0.00 H new ATOM 1736 N LEU A 110 6.929 -0.977 -3.342 1.00 0.00 N ATOM 1737 CA LEU A 110 6.919 -2.402 -3.649 1.00 0.00 C ATOM 1738 C LEU A 110 8.273 -2.853 -4.187 1.00 0.00 C ATOM 1739 O LEU A 110 8.673 -4.004 -4.006 1.00 0.00 O ATOM 1740 CB LEU A 110 5.818 -2.711 -4.668 1.00 0.00 C ATOM 1741 CG LEU A 110 4.455 -3.079 -4.072 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.142 -2.216 -2.859 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.362 -2.935 -5.121 1.00 0.00 C ATOM 0 H LEU A 110 6.229 -0.434 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 110 6.718 -2.950 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.690 -1.843 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.153 -3.533 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 110 4.495 -4.119 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.170 -2.496 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.908 -2.365 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.123 -1.167 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.400 -3.200 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.329 -1.904 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.573 -3.598 -5.960 1.00 0.00 H new ATOM 1755 N VAL A 111 8.973 -1.939 -4.847 1.00 0.00 N ATOM 1756 CA VAL A 111 10.282 -2.241 -5.413 1.00 0.00 C ATOM 1757 C VAL A 111 11.402 -1.883 -4.437 1.00 0.00 C ATOM 1758 O VAL A 111 12.484 -2.469 -4.480 1.00 0.00 O ATOM 1759 CB VAL A 111 10.502 -1.486 -6.737 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.843 -1.856 -7.354 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.366 -1.772 -7.708 1.00 0.00 C ATOM 0 H VAL A 111 8.656 -0.982 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 111 10.308 -3.314 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 111 10.512 -0.417 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.977 -1.311 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.645 -1.595 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.869 -2.927 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.538 -1.231 -8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.323 -2.842 -7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.422 -1.449 -7.269 1.00 0.00 H new ATOM 1771 N GLU A 112 11.137 -0.917 -3.563 1.00 0.00 N ATOM 1772 CA GLU A 112 12.127 -0.481 -2.583 1.00 0.00 C ATOM 1773 C GLU A 112 12.272 -1.503 -1.459 1.00 0.00 C ATOM 1774 O GLU A 112 13.356 -1.679 -0.902 1.00 0.00 O ATOM 1775 CB GLU A 112 11.735 0.878 -2.002 1.00 0.00 C ATOM 1776 CG GLU A 112 11.997 2.041 -2.945 1.00 0.00 C ATOM 1777 CD GLU A 112 13.231 2.839 -2.567 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.624 2.798 -1.383 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.804 3.503 -3.456 1.00 0.00 O ATOM 0 H GLU A 112 10.247 -0.422 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 112 13.087 -0.390 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.676 0.862 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.286 1.041 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.113 1.661 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.130 2.702 -2.949 1.00 0.00 H new ATOM 1786 N ILE A 113 11.172 -2.170 -1.125 1.00 0.00 N ATOM 1787 CA ILE A 113 11.176 -3.170 -0.064 1.00 0.00 C ATOM 1788 C ILE A 113 11.312 -4.583 -0.629 1.00 0.00 C ATOM 1789 O ILE A 113 11.763 -5.496 0.061 1.00 0.00 O ATOM 1790 CB ILE A 113 9.890 -3.087 0.787 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.688 -3.631 0.004 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.641 -1.650 1.222 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.366 -3.473 0.725 1.00 0.00 C ATOM 0 H ILE A 113 10.266 -2.036 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 113 12.038 -2.956 0.567 1.00 0.00 H new ATOM 0 HB ILE A 113 10.021 -3.702 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.631 -3.119 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.852 -4.688 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.732 -1.604 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.485 -1.298 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.528 -1.018 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.565 -3.881 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.403 -4.009 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.178 -2.416 0.912 1.00 0.00 H new ATOM 1805 N GLY A 114 10.907 -4.755 -1.883 1.00 0.00 N ATOM 1806 CA GLY A 114 10.978 -6.059 -2.512 1.00 0.00 C ATOM 1807 C GLY A 114 9.653 -6.791 -2.443 1.00 0.00 C ATOM 1808 O GLY A 114 9.611 -8.022 -2.435 1.00 0.00 O ATOM 0 H GLY A 114 10.531 -4.014 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.276 -5.944 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.749 -6.656 -2.025 1.00 0.00 H new ATOM 1812 N LEU A 115 8.568 -6.026 -2.389 1.00 0.00 N ATOM 1813 CA LEU A 115 7.227 -6.592 -2.314 1.00 0.00 C ATOM 1814 C LEU A 115 6.767 -7.076 -3.685 1.00 0.00 C ATOM 1815 O LEU A 115 6.689 -8.278 -3.937 1.00 0.00 O ATOM 1816 CB LEU A 115 6.251 -5.547 -1.767 1.00 0.00 C ATOM 1817 CG LEU A 115 5.254 -6.057 -0.726 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.960 -6.860 0.358 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.487 -4.895 -0.116 1.00 0.00 C ATOM 0 H LEU A 115 8.592 -5.006 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 115 7.249 -7.448 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.827 -4.734 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.693 -5.125 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 115 4.546 -6.718 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.228 -7.211 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.463 -7.716 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.695 -6.229 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.781 -5.273 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.186 -4.211 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.944 -4.366 -0.899 1.00 0.00 H new ATOM 1831 N ALA A 116 6.471 -6.131 -4.571 1.00 0.00 N ATOM 1832 CA ALA A 116 6.029 -6.460 -5.919 1.00 0.00 C ATOM 1833 C ALA A 116 7.210 -6.469 -6.882 1.00 0.00 C ATOM 1834 O ALA A 116 8.274 -5.929 -6.575 1.00 0.00 O ATOM 1835 CB ALA A 116 4.974 -5.469 -6.388 1.00 0.00 C ATOM 0 H ALA A 116 6.530 -5.131 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 116 5.588 -7.457 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.654 -5.729 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.117 -5.504 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.394 -4.463 -6.388 1.00 0.00 H new ATOM 1841 N LYS A 117 7.022 -7.075 -8.047 1.00 0.00 N ATOM 1842 CA LYS A 117 8.081 -7.138 -9.046 1.00 0.00 C ATOM 1843 C LYS A 117 8.013 -5.932 -9.974 1.00 0.00 C ATOM 1844 O LYS A 117 6.937 -5.381 -10.210 1.00 0.00 O ATOM 1845 CB LYS A 117 7.979 -8.431 -9.858 1.00 0.00 C ATOM 1846 CG LYS A 117 9.202 -9.326 -9.738 1.00 0.00 C ATOM 1847 CD LYS A 117 9.168 -10.151 -8.462 1.00 0.00 C ATOM 1848 CE LYS A 117 9.139 -9.264 -7.228 1.00 0.00 C ATOM 1849 NZ LYS A 117 9.478 -10.020 -5.991 1.00 0.00 N ATOM 0 H LYS A 117 6.151 -7.528 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 117 9.039 -7.127 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.100 -8.986 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.825 -8.179 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.253 -9.991 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.104 -8.714 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.290 -10.797 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.042 -10.801 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.844 -8.442 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.149 -8.821 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 9.447 -9.379 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.791 -10.789 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.433 -10.421 -6.080 1.00 0.00 H new ATOM 1863 N ASP A 118 9.161 -5.526 -10.502 1.00 0.00 N ATOM 1864 CA ASP A 118 9.214 -4.385 -11.406 1.00 0.00 C ATOM 1865 C ASP A 118 8.314 -4.621 -12.613 1.00 0.00 C ATOM 1866 O ASP A 118 7.798 -3.677 -13.213 1.00 0.00 O ATOM 1867 CB ASP A 118 10.650 -4.123 -11.863 1.00 0.00 C ATOM 1868 CG ASP A 118 11.212 -5.258 -12.697 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.779 -6.412 -12.497 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.083 -4.992 -13.551 1.00 0.00 O ATOM 0 H ASP A 118 10.063 -5.967 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 118 8.857 -3.507 -10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.680 -3.201 -12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.284 -3.971 -10.989 1.00 0.00 H new ATOM 1875 N ASP A 119 8.117 -5.890 -12.955 1.00 0.00 N ATOM 1876 CA ASP A 119 7.267 -6.254 -14.079 1.00 0.00 C ATOM 1877 C ASP A 119 5.804 -6.282 -13.650 1.00 0.00 C ATOM 1878 O ASP A 119 4.901 -6.114 -14.469 1.00 0.00 O ATOM 1879 CB ASP A 119 7.675 -7.619 -14.638 1.00 0.00 C ATOM 1880 CG ASP A 119 8.881 -7.531 -15.553 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.052 -6.483 -16.210 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.655 -8.510 -15.614 1.00 0.00 O ATOM 0 H ASP A 119 8.535 -6.683 -12.469 1.00 0.00 H new ATOM 0 HA ASP A 119 7.391 -5.504 -14.861 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.897 -8.295 -13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.837 -8.050 -15.186 1.00 0.00 H new ATOM 1887 N GLN A 120 5.579 -6.489 -12.354 1.00 0.00 N ATOM 1888 CA GLN A 120 4.229 -6.532 -11.807 1.00 0.00 C ATOM 1889 C GLN A 120 3.691 -5.127 -11.551 1.00 0.00 C ATOM 1890 O GLN A 120 2.494 -4.946 -11.333 1.00 0.00 O ATOM 1891 CB GLN A 120 4.208 -7.325 -10.502 1.00 0.00 C ATOM 1892 CG GLN A 120 4.627 -8.777 -10.652 1.00 0.00 C ATOM 1893 CD GLN A 120 4.453 -9.554 -9.362 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.265 -9.462 -8.777 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.373 -10.229 -8.899 1.00 0.00 N flip ATOM 0 H GLN A 120 6.317 -6.630 -11.664 1.00 0.00 H new ATOM 0 HA GLN A 120 3.592 -7.022 -12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.869 -6.840 -9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.202 -7.290 -10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.037 -9.245 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.670 -8.823 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.270 -10.270 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.238 -10.747 -8.031 1.00 0.00 H new ATOM 1904 N LEU A 121 4.581 -4.138 -11.572 1.00 0.00 N ATOM 1905 CA LEU A 121 4.195 -2.750 -11.335 1.00 0.00 C ATOM 1906 C LEU A 121 3.002 -2.358 -12.198 1.00 0.00 C ATOM 1907 O LEU A 121 3.164 -1.902 -13.330 1.00 0.00 O ATOM 1908 CB LEU A 121 5.374 -1.817 -11.614 1.00 0.00 C ATOM 1909 CG LEU A 121 6.549 -1.955 -10.645 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.794 -1.290 -11.215 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.196 -1.360 -9.288 1.00 0.00 C ATOM 0 H LEU A 121 5.576 -4.273 -11.751 1.00 0.00 H new ATOM 0 HA LEU A 121 3.905 -2.654 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.733 -2.002 -12.626 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.018 -0.787 -11.586 1.00 0.00 H new ATOM 0 HG LEU A 121 6.760 -3.016 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.619 -1.399 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.059 -1.763 -12.161 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.597 -0.231 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.044 -1.467 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.957 -0.303 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.334 -1.883 -8.874 1.00 0.00 H new ATOM 1923 N LYS A 122 1.805 -2.541 -11.656 1.00 0.00 N ATOM 1924 CA LYS A 122 0.583 -2.210 -12.372 1.00 0.00 C ATOM 1925 C LYS A 122 -0.097 -0.996 -11.749 1.00 0.00 C ATOM 1926 O LYS A 122 -0.997 -1.132 -10.919 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.366 -3.408 -12.373 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.268 -4.250 -13.634 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.759 -3.488 -14.855 1.00 0.00 C ATOM 1930 CE LYS A 122 0.175 -3.672 -16.040 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.110 -2.698 -17.129 1.00 0.00 N ATOM 0 H LYS A 122 1.656 -2.918 -10.720 1.00 0.00 H new ATOM 0 HA LYS A 122 0.842 -1.964 -13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.150 -4.035 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.390 -3.052 -12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.766 -4.557 -13.788 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.856 -5.160 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.759 -3.831 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.840 -2.428 -14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.207 -3.555 -15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.076 -4.687 -16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.548 -2.857 -17.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.087 -2.826 -17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.009 -1.730 -16.769 1.00 0.00 H new ATOM 1945 N VAL A 123 0.345 0.191 -12.149 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.212 1.433 -11.628 1.00 0.00 C ATOM 1947 C VAL A 123 -1.347 1.946 -12.509 1.00 0.00 C ATOM 1948 O VAL A 123 -1.137 2.276 -13.676 1.00 0.00 O ATOM 1949 CB VAL A 123 0.870 2.525 -11.512 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.455 2.850 -12.880 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.304 3.774 -10.855 1.00 0.00 C ATOM 0 H VAL A 123 1.090 0.319 -12.834 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.605 1.211 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 123 1.674 2.145 -10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.217 3.623 -12.776 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.904 1.953 -13.306 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.663 3.207 -13.539 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.084 4.532 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.521 4.158 -11.454 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.057 3.528 -9.856 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.550 2.010 -11.945 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.713 2.485 -12.684 1.00 0.00 C ATOM 1963 C HIS A 124 -4.368 3.668 -11.981 1.00 0.00 C ATOM 1964 O HIS A 124 -5.339 3.501 -11.243 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.729 1.356 -12.854 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.134 0.097 -13.398 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.303 -0.312 -14.703 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.367 -0.849 -12.805 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.668 -1.455 -14.890 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.091 -1.804 -13.754 1.00 0.00 N ATOM 0 H HIS A 124 -2.743 1.739 -10.981 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.373 2.815 -13.666 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.190 1.144 -11.889 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.524 1.690 -13.520 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.835 0.190 -15.414 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.034 -0.852 -11.778 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.627 -2.010 -15.815 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.838 4.863 -12.219 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.392 6.054 -11.602 1.00 0.00 C ATOM 1981 C GLY A 125 -5.868 6.225 -11.908 1.00 0.00 C ATOM 1982 O GLY A 125 -6.259 6.340 -13.070 1.00 0.00 O ATOM 0 H GLY A 125 -3.036 5.028 -12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.250 6.001 -10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.846 6.930 -11.953 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.691 6.236 -10.863 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.134 6.386 -11.022 1.00 0.00 C ATOM 1988 C PHE A 126 -8.471 7.543 -11.964 1.00 0.00 C ATOM 1989 O PHE A 126 -9.482 7.438 -12.691 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.797 6.597 -9.655 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.832 8.031 -9.203 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.670 8.784 -9.150 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -10.029 8.623 -8.835 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.701 10.103 -8.739 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.068 9.942 -8.423 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.902 10.682 -8.375 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.720 8.541 -11.965 1.00 0.00 O ATOM 0 H PHE A 126 -6.382 6.143 -9.895 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.523 5.470 -11.467 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.817 6.215 -9.695 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.265 6.006 -8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.729 8.335 -9.433 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.942 8.048 -8.870 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.789 10.680 -8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -11.007 10.393 -8.139 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.929 11.713 -8.053 1.00 0.00 H new