USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=12 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 50 GLN : amide:sc= 0.378 K(o=0.31,f=-0.59) USER MOD Set 1.2: A 56 THR OG1 : rot 157:sc= -0.0649 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.658 X(o=-4.5,f=-4.3) USER MOD Set 2.2: A 97 GLN : amide:sc= -3.83! C(o=-4.5!,f=-6.6!) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -5.66! C(o=-13!,f=-14!) USER MOD Set 3.2: A 124 HIS : no HE2:sc= -7.06! C(o=-13!,f=-17!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.083) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 68:sc= 0.318 USER MOD Single : A 59 THR OG1 : rot 47:sc= 1.07 USER MOD Single : A 61 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 67 TYR OH : rot -128:sc= 1.33 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0934 (180deg=-0.684) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 135:sc= 0.68 (180deg=-2.75!) USER MOD Single : A 82 CYS SG : rot -154:sc= -1.41 USER MOD Single : A 83 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.029) USER MOD Single : A 85 THR OG1 : rot -44:sc= 0.0797 USER MOD Single : A 89 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-5.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 102 GLN : amide:sc= -7.03! K(o=-7!,f=-2.8) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 107 CYS SG : rot -170:sc= -4.98! USER MOD Single : A 108 GLN : amide:sc= -0.502 K(o=-0.5,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -5.37 K(o=-5.4,f=-2.3) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.665 -12.121 -13.409 1.00 0.00 N ATOM 607 CA ASP A 42 0.680 -12.027 -11.955 1.00 0.00 C ATOM 608 C ASP A 42 1.268 -10.693 -11.518 1.00 0.00 C ATOM 609 O ASP A 42 2.254 -10.644 -10.784 1.00 0.00 O ATOM 610 CB ASP A 42 1.481 -13.182 -11.352 1.00 0.00 C ATOM 611 CG ASP A 42 0.637 -14.422 -11.137 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.437 -14.307 -10.511 1.00 0.00 O ATOM 613 OD2 ASP A 42 1.050 -15.508 -11.593 1.00 0.00 O ATOM 0 HA ASP A 42 -0.346 -12.092 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.316 -13.424 -12.010 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.907 -12.866 -10.400 1.00 0.00 H new ATOM 618 N TYR A 43 0.650 -9.615 -11.981 1.00 0.00 N ATOM 619 CA TYR A 43 1.100 -8.271 -11.649 1.00 0.00 C ATOM 620 C TYR A 43 0.436 -7.772 -10.369 1.00 0.00 C ATOM 621 O TYR A 43 -0.484 -8.403 -9.850 1.00 0.00 O ATOM 622 CB TYR A 43 0.786 -7.311 -12.800 1.00 0.00 C ATOM 623 CG TYR A 43 1.381 -7.719 -14.135 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.538 -8.486 -14.207 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.785 -7.321 -15.325 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.082 -8.844 -15.426 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.321 -7.678 -16.547 1.00 0.00 C ATOM 628 CZ TYR A 43 2.469 -8.439 -16.593 1.00 0.00 C ATOM 629 OH TYR A 43 3.007 -8.794 -17.807 1.00 0.00 O ATOM 0 H TYR A 43 -0.168 -9.646 -12.590 1.00 0.00 H new ATOM 0 HA TYR A 43 2.178 -8.306 -11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.296 -7.232 -12.907 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.154 -6.318 -12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.020 -8.807 -13.295 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.113 -6.722 -15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.983 -9.438 -15.464 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.843 -7.362 -17.462 1.00 0.00 H new ATOM 0 HH TYR A 43 2.454 -8.430 -18.529 1.00 0.00 H new ATOM 639 N ILE A 44 0.903 -6.629 -9.873 1.00 0.00 N ATOM 640 CA ILE A 44 0.347 -6.038 -8.663 1.00 0.00 C ATOM 641 C ILE A 44 -0.469 -4.795 -9.006 1.00 0.00 C ATOM 642 O ILE A 44 0.079 -3.708 -9.186 1.00 0.00 O ATOM 643 CB ILE A 44 1.451 -5.667 -7.650 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.229 -6.914 -7.218 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.853 -4.972 -6.436 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.347 -8.074 -6.807 1.00 0.00 C ATOM 0 H ILE A 44 1.665 -6.095 -10.292 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.300 -6.785 -8.204 1.00 0.00 H new ATOM 0 HB ILE A 44 2.142 -4.979 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.872 -7.232 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.881 -6.653 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.647 -4.719 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.344 -4.061 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.139 -5.637 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.970 -8.919 -6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.722 -7.776 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.713 -8.363 -7.645 1.00 0.00 H new ATOM 658 N HIS A 45 -1.780 -4.973 -9.112 1.00 0.00 N ATOM 659 CA HIS A 45 -2.684 -3.879 -9.451 1.00 0.00 C ATOM 660 C HIS A 45 -2.823 -2.880 -8.308 1.00 0.00 C ATOM 661 O HIS A 45 -3.335 -3.210 -7.239 1.00 0.00 O ATOM 662 CB HIS A 45 -4.057 -4.439 -9.819 1.00 0.00 C ATOM 663 CG HIS A 45 -4.493 -4.098 -11.208 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.205 -4.884 -12.303 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.208 -3.050 -11.678 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.725 -4.336 -13.385 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.340 -3.222 -13.034 1.00 0.00 N ATOM 0 H HIS A 45 -2.244 -5.870 -8.967 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.258 -3.349 -10.303 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.038 -5.523 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.795 -4.060 -9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.602 -2.230 -11.095 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.659 -4.732 -14.388 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.833 -2.592 -13.667 1.00 0.00 H new ATOM 676 N ILE A 46 -2.378 -1.652 -8.550 1.00 0.00 N ATOM 677 CA ILE A 46 -2.470 -0.592 -7.547 1.00 0.00 C ATOM 678 C ILE A 46 -3.919 -0.099 -7.421 1.00 0.00 C ATOM 679 O ILE A 46 -4.716 -0.702 -6.703 1.00 0.00 O ATOM 680 CB ILE A 46 -1.528 0.587 -7.881 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.080 0.098 -7.984 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.650 1.686 -6.835 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.504 -0.360 -6.664 1.00 0.00 C ATOM 0 H ILE A 46 -1.950 -1.364 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.154 -1.010 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.823 1.002 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.034 -0.725 -8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.538 0.902 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.979 2.506 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.676 2.052 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.382 1.288 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.531 -0.692 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.491 0.467 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.089 -1.185 -6.270 1.00 0.00 H new ATOM 695 N ARG A 47 -4.265 0.988 -8.131 1.00 0.00 N ATOM 696 CA ARG A 47 -5.622 1.538 -8.108 1.00 0.00 C ATOM 697 C ARG A 47 -5.830 2.501 -6.943 1.00 0.00 C ATOM 698 O ARG A 47 -5.691 2.131 -5.778 1.00 0.00 O ATOM 699 CB ARG A 47 -6.670 0.421 -8.051 1.00 0.00 C ATOM 700 CG ARG A 47 -7.970 0.770 -8.755 1.00 0.00 C ATOM 701 CD ARG A 47 -7.802 0.777 -10.266 1.00 0.00 C ATOM 702 NE ARG A 47 -9.041 1.134 -10.953 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.173 1.157 -12.278 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.147 0.845 -13.059 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.334 1.494 -12.822 1.00 0.00 N ATOM 0 H ARG A 47 -3.617 1.502 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.748 2.097 -9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.253 -0.480 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.883 0.187 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.740 0.050 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.314 1.749 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.019 1.484 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.474 -0.208 -10.599 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.852 1.380 -10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.251 0.586 -12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.254 0.864 -14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.126 1.736 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.436 1.512 -13.837 1.00 0.00 H new ATOM 719 N ILE A 48 -6.182 3.738 -7.280 1.00 0.00 N ATOM 720 CA ILE A 48 -6.436 4.775 -6.286 1.00 0.00 C ATOM 721 C ILE A 48 -7.931 5.085 -6.214 1.00 0.00 C ATOM 722 O ILE A 48 -8.669 4.852 -7.173 1.00 0.00 O ATOM 723 CB ILE A 48 -5.655 6.076 -6.610 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.196 5.951 -6.167 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.303 7.289 -5.952 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.388 7.210 -6.398 1.00 0.00 C ATOM 0 H ILE A 48 -6.299 4.049 -8.245 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.093 4.398 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.684 6.221 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.166 5.698 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.730 5.125 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.732 8.185 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.325 7.398 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.316 7.153 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.363 7.052 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.388 7.452 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.830 8.034 -5.838 1.00 0.00 H new ATOM 738 N GLN A 49 -8.369 5.619 -5.078 1.00 0.00 N ATOM 739 CA GLN A 49 -9.772 5.971 -4.891 1.00 0.00 C ATOM 740 C GLN A 49 -9.899 7.353 -4.257 1.00 0.00 C ATOM 741 O GLN A 49 -9.737 7.511 -3.047 1.00 0.00 O ATOM 742 CB GLN A 49 -10.475 4.927 -4.023 1.00 0.00 C ATOM 743 CG GLN A 49 -9.914 4.823 -2.615 1.00 0.00 C ATOM 744 CD GLN A 49 -9.964 3.409 -2.071 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.932 2.757 -1.905 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.169 2.926 -1.791 1.00 0.00 N ATOM 0 H GLN A 49 -7.773 5.817 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.251 5.992 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.536 5.171 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.398 3.954 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.882 5.173 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.476 5.483 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.997 3.501 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.266 1.980 -1.423 1.00 0.00 H new ATOM 755 N GLN A 50 -10.181 8.354 -5.086 1.00 0.00 N ATOM 756 CA GLN A 50 -10.320 9.725 -4.608 1.00 0.00 C ATOM 757 C GLN A 50 -11.787 10.115 -4.465 1.00 0.00 C ATOM 758 O GLN A 50 -12.522 10.185 -5.451 1.00 0.00 O ATOM 759 CB GLN A 50 -9.612 10.691 -5.563 1.00 0.00 C ATOM 760 CG GLN A 50 -8.753 11.723 -4.854 1.00 0.00 C ATOM 761 CD GLN A 50 -7.858 12.493 -5.805 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.133 12.578 -7.002 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.780 13.057 -5.275 1.00 0.00 N ATOM 0 H GLN A 50 -10.317 8.241 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.855 9.786 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.987 10.119 -6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.359 11.205 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.398 12.422 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.137 11.225 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.592 12.960 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.139 13.587 -5.865 1.00 0.00 H new ATOM 772 N ARG A 51 -12.206 10.375 -3.231 1.00 0.00 N ATOM 773 CA ARG A 51 -13.583 10.767 -2.955 1.00 0.00 C ATOM 774 C ARG A 51 -13.682 12.277 -2.766 1.00 0.00 C ATOM 775 O ARG A 51 -12.834 12.886 -2.114 1.00 0.00 O ATOM 776 CB ARG A 51 -14.104 10.047 -1.710 1.00 0.00 C ATOM 777 CG ARG A 51 -14.499 8.601 -1.964 1.00 0.00 C ATOM 778 CD ARG A 51 -13.868 7.662 -0.947 1.00 0.00 C ATOM 779 NE ARG A 51 -14.288 7.971 0.417 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.493 7.685 0.905 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.398 7.080 0.145 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.794 8.001 2.157 1.00 0.00 N ATOM 0 H ARG A 51 -11.610 10.321 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.198 10.481 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.336 10.075 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.967 10.588 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.584 8.507 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.192 8.310 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.139 6.634 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.782 7.729 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.618 8.433 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.172 6.832 -0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.320 6.863 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.102 8.463 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.717 7.782 2.530 1.00 0.00 H new ATOM 796 N ASN A 52 -14.714 12.877 -3.347 1.00 0.00 N ATOM 797 CA ASN A 52 -14.913 14.318 -3.247 1.00 0.00 C ATOM 798 C ASN A 52 -13.720 15.074 -3.827 1.00 0.00 C ATOM 799 O ASN A 52 -13.495 16.241 -3.505 1.00 0.00 O ATOM 800 CB ASN A 52 -15.130 14.730 -1.789 1.00 0.00 C ATOM 801 CG ASN A 52 -16.077 13.799 -1.056 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.098 13.380 -1.600 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.742 13.472 0.186 1.00 0.00 N ATOM 0 H ASN A 52 -15.425 12.389 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.801 14.574 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.170 14.746 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.526 15.745 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.341 12.850 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.886 13.843 0.598 1.00 0.00 H new ATOM 810 N GLY A 53 -12.959 14.399 -4.684 1.00 0.00 N ATOM 811 CA GLY A 53 -11.800 15.019 -5.296 1.00 0.00 C ATOM 812 C GLY A 53 -10.742 15.406 -4.282 1.00 0.00 C ATOM 813 O GLY A 53 -10.217 16.519 -4.320 1.00 0.00 O ATOM 0 H GLY A 53 -13.126 13.433 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.367 14.332 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.115 15.907 -5.844 1.00 0.00 H new ATOM 817 N ARG A 54 -10.424 14.487 -3.375 1.00 0.00 N ATOM 818 CA ARG A 54 -9.419 14.749 -2.352 1.00 0.00 C ATOM 819 C ARG A 54 -9.147 13.506 -1.509 1.00 0.00 C ATOM 820 O ARG A 54 -7.997 13.196 -1.200 1.00 0.00 O ATOM 821 CB ARG A 54 -9.862 15.911 -1.458 1.00 0.00 C ATOM 822 CG ARG A 54 -10.998 15.560 -0.510 1.00 0.00 C ATOM 823 CD ARG A 54 -11.321 16.717 0.422 1.00 0.00 C ATOM 824 NE ARG A 54 -10.404 16.777 1.558 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.415 17.745 2.470 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.294 18.737 2.384 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.547 17.723 3.471 1.00 0.00 N ATOM 0 H ARG A 54 -10.846 13.559 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.491 15.022 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.008 16.254 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.172 16.744 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.885 15.296 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.726 14.683 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.273 17.654 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.343 16.615 0.786 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.714 16.032 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.965 18.759 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.298 19.477 3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.870 16.963 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.556 18.466 4.170 1.00 0.00 H new ATOM 841 N LYS A 55 -10.209 12.799 -1.137 1.00 0.00 N ATOM 842 CA LYS A 55 -10.075 11.593 -0.328 1.00 0.00 C ATOM 843 C LYS A 55 -9.440 10.466 -1.138 1.00 0.00 C ATOM 844 O LYS A 55 -10.089 9.468 -1.453 1.00 0.00 O ATOM 845 CB LYS A 55 -11.443 11.158 0.209 1.00 0.00 C ATOM 846 CG LYS A 55 -11.622 11.421 1.696 1.00 0.00 C ATOM 847 CD LYS A 55 -10.658 10.591 2.530 1.00 0.00 C ATOM 848 CE LYS A 55 -9.575 11.455 3.157 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.868 11.765 4.584 1.00 0.00 N ATOM 0 H LYS A 55 -11.169 13.039 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.422 11.817 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.224 11.682 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.578 10.093 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.463 12.480 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.647 11.191 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.209 10.071 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.198 9.827 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.616 10.942 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.482 12.385 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.106 12.356 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.771 12.277 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.932 10.879 5.126 1.00 0.00 H new ATOM 863 N THR A 56 -8.166 10.637 -1.475 1.00 0.00 N ATOM 864 CA THR A 56 -7.437 9.642 -2.251 1.00 0.00 C ATOM 865 C THR A 56 -6.969 8.493 -1.364 1.00 0.00 C ATOM 866 O THR A 56 -6.511 8.708 -0.242 1.00 0.00 O ATOM 867 CB THR A 56 -6.236 10.290 -2.945 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.351 11.703 -2.938 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.068 9.851 -4.383 1.00 0.00 C ATOM 0 H THR A 56 -7.616 11.458 -1.222 1.00 0.00 H new ATOM 0 HA THR A 56 -8.112 9.239 -3.006 1.00 0.00 H new ATOM 0 HB THR A 56 -5.365 9.963 -2.377 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.462 12.104 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.199 10.347 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.925 8.771 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.959 10.118 -4.951 1.00 0.00 H new ATOM 877 N LEU A 57 -7.086 7.273 -1.878 1.00 0.00 N ATOM 878 CA LEU A 57 -6.672 6.088 -1.136 1.00 0.00 C ATOM 879 C LEU A 57 -6.100 5.034 -2.082 1.00 0.00 C ATOM 880 O LEU A 57 -6.844 4.281 -2.709 1.00 0.00 O ATOM 881 CB LEU A 57 -7.852 5.507 -0.355 1.00 0.00 C ATOM 882 CG LEU A 57 -7.761 5.674 1.163 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.050 7.114 1.558 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.718 4.721 1.863 1.00 0.00 C ATOM 0 H LEU A 57 -7.464 7.079 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.895 6.382 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.769 5.981 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.934 4.445 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.746 5.430 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.981 7.215 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.323 7.774 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.054 7.386 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.639 4.854 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.739 4.932 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.462 3.693 1.604 1.00 0.00 H new ATOM 896 N THR A 58 -4.776 4.991 -2.184 1.00 0.00 N ATOM 897 CA THR A 58 -4.108 4.034 -3.060 1.00 0.00 C ATOM 898 C THR A 58 -4.214 2.617 -2.511 1.00 0.00 C ATOM 899 O THR A 58 -3.849 2.356 -1.366 1.00 0.00 O ATOM 900 CB THR A 58 -2.636 4.414 -3.227 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.463 5.820 -3.158 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.043 3.941 -4.536 1.00 0.00 C ATOM 0 H THR A 58 -4.144 5.607 -1.672 1.00 0.00 H new ATOM 0 HA THR A 58 -4.604 4.064 -4.030 1.00 0.00 H new ATOM 0 HB THR A 58 -2.117 3.916 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.660 6.130 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.997 4.243 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.111 2.855 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.593 4.384 -5.366 1.00 0.00 H new ATOM 910 N THR A 59 -4.705 1.698 -3.337 1.00 0.00 N ATOM 911 CA THR A 59 -4.846 0.306 -2.928 1.00 0.00 C ATOM 912 C THR A 59 -3.825 -0.574 -3.636 1.00 0.00 C ATOM 913 O THR A 59 -3.345 -0.238 -4.718 1.00 0.00 O ATOM 914 CB THR A 59 -6.260 -0.203 -3.219 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.877 0.578 -4.227 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.164 -0.187 -2.007 1.00 0.00 C ATOM 0 H THR A 59 -5.011 1.892 -4.291 1.00 0.00 H new ATOM 0 HA THR A 59 -4.666 0.255 -1.854 1.00 0.00 H new ATOM 0 HB THR A 59 -6.133 -1.236 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.254 0.699 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.150 -0.560 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.741 -0.822 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.254 0.833 -1.633 1.00 0.00 H new ATOM 924 N VAL A 60 -3.498 -1.705 -3.021 1.00 0.00 N ATOM 925 CA VAL A 60 -2.536 -2.636 -3.601 1.00 0.00 C ATOM 926 C VAL A 60 -3.139 -4.025 -3.763 1.00 0.00 C ATOM 927 O VAL A 60 -3.513 -4.672 -2.784 1.00 0.00 O ATOM 928 CB VAL A 60 -1.256 -2.736 -2.750 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.246 -3.674 -3.400 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.654 -1.357 -2.546 1.00 0.00 C ATOM 0 H VAL A 60 -3.883 -1.999 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.275 -2.242 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.519 -3.148 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.650 -3.729 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.682 -4.668 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.018 -3.296 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.250 -1.440 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.406 -0.921 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.374 -0.718 -2.034 1.00 0.00 H new ATOM 940 N GLN A 61 -3.221 -4.478 -5.011 1.00 0.00 N ATOM 941 CA GLN A 61 -3.769 -5.793 -5.319 1.00 0.00 C ATOM 942 C GLN A 61 -2.690 -6.691 -5.912 1.00 0.00 C ATOM 943 O GLN A 61 -1.868 -6.244 -6.710 1.00 0.00 O ATOM 944 CB GLN A 61 -4.939 -5.671 -6.295 1.00 0.00 C ATOM 945 CG GLN A 61 -6.096 -6.606 -5.975 1.00 0.00 C ATOM 946 CD GLN A 61 -6.479 -7.492 -7.145 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.802 -8.667 -6.970 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.446 -6.933 -8.348 1.00 0.00 N ATOM 0 H GLN A 61 -2.913 -3.950 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.131 -6.239 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.301 -4.643 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.583 -5.878 -7.304 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.826 -7.232 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.961 -6.015 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.173 -5.956 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.694 -7.481 -9.172 1.00 0.00 H new ATOM 957 N GLY A 62 -2.698 -7.958 -5.518 1.00 0.00 N ATOM 958 CA GLY A 62 -1.712 -8.895 -6.019 1.00 0.00 C ATOM 959 C GLY A 62 -0.805 -9.424 -4.925 1.00 0.00 C ATOM 960 O GLY A 62 -0.485 -10.612 -4.898 1.00 0.00 O ATOM 0 H GLY A 62 -3.370 -8.353 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.221 -9.730 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.107 -8.407 -6.783 1.00 0.00 H new ATOM 964 N ILE A 63 -0.393 -8.541 -4.014 1.00 0.00 N ATOM 965 CA ILE A 63 0.477 -8.931 -2.908 1.00 0.00 C ATOM 966 C ILE A 63 -0.065 -10.185 -2.223 1.00 0.00 C ATOM 967 O ILE A 63 -1.274 -10.412 -2.190 1.00 0.00 O ATOM 968 CB ILE A 63 0.641 -7.768 -1.891 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.663 -6.748 -2.408 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.065 -8.267 -0.515 1.00 0.00 C ATOM 971 CD1 ILE A 63 1.565 -6.477 -3.892 1.00 0.00 C ATOM 0 H ILE A 63 -0.648 -7.553 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 63 1.464 -9.159 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.334 -7.291 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.530 -5.810 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.667 -7.107 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.168 -7.420 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.311 -8.953 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.020 -8.786 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.321 -5.746 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.729 -7.403 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.575 -6.086 -4.126 1.00 0.00 H new ATOM 983 N ALA A 64 0.838 -11.003 -1.707 1.00 0.00 N ATOM 984 CA ALA A 64 0.456 -12.250 -1.053 1.00 0.00 C ATOM 985 C ALA A 64 0.225 -12.065 0.441 1.00 0.00 C ATOM 986 O ALA A 64 0.621 -11.056 1.024 1.00 0.00 O ATOM 987 CB ALA A 64 1.518 -13.312 -1.291 1.00 0.00 C ATOM 0 H ALA A 64 1.843 -10.828 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.488 -12.574 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.223 -14.239 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.623 -13.488 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.470 -12.972 -0.884 1.00 0.00 H new ATOM 993 N ASP A 65 -0.410 -13.058 1.055 1.00 0.00 N ATOM 994 CA ASP A 65 -0.688 -13.022 2.484 1.00 0.00 C ATOM 995 C ASP A 65 0.600 -13.207 3.277 1.00 0.00 C ATOM 996 O ASP A 65 0.729 -12.715 4.398 1.00 0.00 O ATOM 997 CB ASP A 65 -1.695 -14.111 2.858 1.00 0.00 C ATOM 998 CG ASP A 65 -2.665 -13.659 3.932 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.240 -13.520 5.098 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.852 -13.442 3.607 1.00 0.00 O ATOM 0 H ASP A 65 -0.742 -13.899 0.583 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.116 -12.050 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.253 -14.406 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.159 -14.994 3.205 1.00 0.00 H new ATOM 1005 N ASP A 66 1.558 -13.913 2.679 1.00 0.00 N ATOM 1006 CA ASP A 66 2.843 -14.155 3.321 1.00 0.00 C ATOM 1007 C ASP A 66 3.593 -12.842 3.507 1.00 0.00 C ATOM 1008 O ASP A 66 4.370 -12.684 4.448 1.00 0.00 O ATOM 1009 CB ASP A 66 3.682 -15.125 2.487 1.00 0.00 C ATOM 1010 CG ASP A 66 3.504 -16.566 2.922 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.400 -16.912 3.393 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.468 -17.349 2.793 1.00 0.00 O ATOM 0 H ASP A 66 1.466 -14.326 1.751 1.00 0.00 H new ATOM 0 HA ASP A 66 2.663 -14.601 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.406 -15.029 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.734 -14.852 2.567 1.00 0.00 H new ATOM 1017 N TYR A 67 3.345 -11.898 2.603 1.00 0.00 N ATOM 1018 CA TYR A 67 3.984 -10.590 2.660 1.00 0.00 C ATOM 1019 C TYR A 67 3.789 -9.959 4.038 1.00 0.00 C ATOM 1020 O TYR A 67 2.660 -9.699 4.455 1.00 0.00 O ATOM 1021 CB TYR A 67 3.400 -9.669 1.585 1.00 0.00 C ATOM 1022 CG TYR A 67 3.931 -9.915 0.190 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.385 -11.168 -0.206 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.974 -8.883 -0.735 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.866 -11.378 -1.485 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.451 -9.083 -2.011 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.897 -10.333 -2.385 1.00 0.00 C ATOM 1028 OH TYR A 67 5.374 -10.538 -3.658 1.00 0.00 O ATOM 0 H TYR A 67 2.703 -12.017 1.820 1.00 0.00 H new ATOM 0 HA TYR A 67 5.051 -10.721 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.316 -9.787 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.605 -8.635 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.362 -11.989 0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.626 -7.902 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.216 -12.357 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.476 -8.265 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 67 6.060 -9.869 -3.862 1.00 0.00 H new ATOM 1038 N ASP A 68 4.892 -9.716 4.742 1.00 0.00 N ATOM 1039 CA ASP A 68 4.832 -9.117 6.073 1.00 0.00 C ATOM 1040 C ASP A 68 3.947 -7.874 6.075 1.00 0.00 C ATOM 1041 O ASP A 68 4.388 -6.785 5.711 1.00 0.00 O ATOM 1042 CB ASP A 68 6.238 -8.758 6.557 1.00 0.00 C ATOM 1043 CG ASP A 68 6.878 -9.878 7.356 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.536 -11.053 7.109 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.721 -9.579 8.228 1.00 0.00 O ATOM 0 H ASP A 68 5.835 -9.924 4.414 1.00 0.00 H new ATOM 0 HA ASP A 68 4.396 -9.849 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.866 -8.523 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.189 -7.859 7.171 1.00 0.00 H new ATOM 1050 N LYS A 69 2.690 -8.051 6.486 1.00 0.00 N ATOM 1051 CA LYS A 69 1.723 -6.954 6.536 1.00 0.00 C ATOM 1052 C LYS A 69 2.353 -5.673 7.077 1.00 0.00 C ATOM 1053 O LYS A 69 2.327 -4.633 6.419 1.00 0.00 O ATOM 1054 CB LYS A 69 0.525 -7.348 7.401 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.653 -6.396 7.277 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.944 -7.043 7.751 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.020 -7.089 9.269 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.851 -5.983 9.817 1.00 0.00 N ATOM 0 H LYS A 69 2.317 -8.950 6.791 1.00 0.00 H new ATOM 0 HA LYS A 69 1.389 -6.760 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.202 -8.351 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.839 -7.391 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.459 -5.497 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.762 -6.083 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.796 -6.487 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.013 -8.055 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.437 -8.046 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.014 -7.028 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.627 -5.847 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.649 -5.106 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.858 -6.222 9.715 1.00 0.00 H new ATOM 1072 N LYS A 70 2.916 -5.754 8.277 1.00 0.00 N ATOM 1073 CA LYS A 70 3.550 -4.599 8.899 1.00 0.00 C ATOM 1074 C LYS A 70 4.684 -4.067 8.030 1.00 0.00 C ATOM 1075 O LYS A 70 4.765 -2.870 7.759 1.00 0.00 O ATOM 1076 CB LYS A 70 4.083 -4.966 10.286 1.00 0.00 C ATOM 1077 CG LYS A 70 3.004 -5.433 11.249 1.00 0.00 C ATOM 1078 CD LYS A 70 3.564 -5.656 12.644 1.00 0.00 C ATOM 1079 CE LYS A 70 2.855 -6.797 13.354 1.00 0.00 C ATOM 1080 NZ LYS A 70 3.452 -8.118 13.015 1.00 0.00 N ATOM 0 H LYS A 70 2.946 -6.606 8.837 1.00 0.00 H new ATOM 0 HA LYS A 70 2.798 -3.817 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.831 -5.752 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.589 -4.100 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.206 -4.692 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.561 -6.359 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.630 -5.874 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.461 -4.742 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.906 -6.641 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.800 -6.795 13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.940 -8.870 13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.381 -8.278 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.452 -8.130 13.299 1.00 0.00 H new ATOM 1094 N LYS A 71 5.558 -4.967 7.593 1.00 0.00 N ATOM 1095 CA LYS A 71 6.689 -4.589 6.752 1.00 0.00 C ATOM 1096 C LYS A 71 6.231 -3.858 5.489 1.00 0.00 C ATOM 1097 O LYS A 71 7.033 -3.209 4.818 1.00 0.00 O ATOM 1098 CB LYS A 71 7.499 -5.829 6.368 1.00 0.00 C ATOM 1099 CG LYS A 71 8.752 -5.512 5.567 1.00 0.00 C ATOM 1100 CD LYS A 71 9.752 -4.713 6.386 1.00 0.00 C ATOM 1101 CE LYS A 71 10.892 -4.196 5.523 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.197 -4.249 6.237 1.00 0.00 N ATOM 0 H LYS A 71 5.506 -5.963 7.807 1.00 0.00 H new ATOM 0 HA LYS A 71 7.316 -3.908 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.783 -6.363 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.867 -6.501 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.215 -6.440 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.481 -4.950 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.246 -3.874 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.153 -5.338 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.953 -4.788 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.684 -3.169 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.948 -3.888 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.147 -3.664 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.409 -5.232 6.501 1.00 0.00 H new ATOM 1116 N LEU A 72 4.945 -3.971 5.161 1.00 0.00 N ATOM 1117 CA LEU A 72 4.408 -3.322 3.972 1.00 0.00 C ATOM 1118 C LEU A 72 3.707 -2.016 4.323 1.00 0.00 C ATOM 1119 O LEU A 72 4.129 -0.946 3.890 1.00 0.00 O ATOM 1120 CB LEU A 72 3.434 -4.256 3.245 1.00 0.00 C ATOM 1121 CG LEU A 72 4.034 -5.564 2.700 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.518 -5.680 3.035 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.270 -6.761 3.243 1.00 0.00 C ATOM 0 H LEU A 72 4.261 -4.503 5.700 1.00 0.00 H new ATOM 0 HA LEU A 72 5.246 -3.095 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.624 -4.508 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.989 -3.709 2.413 1.00 0.00 H new ATOM 0 HG LEU A 72 3.940 -5.548 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.909 -6.615 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.057 -4.842 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.649 -5.665 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.705 -7.680 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.331 -6.768 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.226 -6.695 2.938 1.00 0.00 H new ATOM 1135 N VAL A 73 2.635 -2.106 5.103 1.00 0.00 N ATOM 1136 CA VAL A 73 1.884 -0.921 5.496 1.00 0.00 C ATOM 1137 C VAL A 73 2.588 -0.169 6.621 1.00 0.00 C ATOM 1138 O VAL A 73 2.739 1.051 6.563 1.00 0.00 O ATOM 1139 CB VAL A 73 0.443 -1.276 5.923 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.424 -1.954 7.287 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.431 -0.032 5.922 1.00 0.00 C ATOM 0 H VAL A 73 2.269 -2.983 5.474 1.00 0.00 H new ATOM 0 HA VAL A 73 1.832 -0.274 4.620 1.00 0.00 H new ATOM 0 HB VAL A 73 0.038 -1.983 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.604 -2.192 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.010 -2.872 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.852 -1.284 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.444 -0.298 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.024 0.699 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.453 0.396 4.920 1.00 0.00 H new ATOM 1151 N LYS A 74 3.030 -0.903 7.638 1.00 0.00 N ATOM 1152 CA LYS A 74 3.731 -0.291 8.762 1.00 0.00 C ATOM 1153 C LYS A 74 5.012 0.372 8.273 1.00 0.00 C ATOM 1154 O LYS A 74 5.331 1.496 8.660 1.00 0.00 O ATOM 1155 CB LYS A 74 4.056 -1.334 9.832 1.00 0.00 C ATOM 1156 CG LYS A 74 4.026 -0.783 11.249 1.00 0.00 C ATOM 1157 CD LYS A 74 5.155 0.208 11.485 1.00 0.00 C ATOM 1158 CE LYS A 74 5.835 -0.027 12.826 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.046 1.245 13.571 1.00 0.00 N ATOM 0 H LYS A 74 2.917 -1.914 7.707 1.00 0.00 H new ATOM 0 HA LYS A 74 3.082 0.464 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.343 -2.155 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.044 -1.750 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.068 -0.295 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.106 -1.604 11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.889 0.122 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.762 1.224 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.228 -0.704 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.795 -0.517 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.511 1.043 14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.646 1.881 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.128 1.701 13.747 1.00 0.00 H new ATOM 1173 N ALA A 75 5.732 -0.330 7.404 1.00 0.00 N ATOM 1174 CA ALA A 75 6.966 0.193 6.840 1.00 0.00 C ATOM 1175 C ALA A 75 6.667 1.388 5.948 1.00 0.00 C ATOM 1176 O ALA A 75 7.402 2.375 5.948 1.00 0.00 O ATOM 1177 CB ALA A 75 7.698 -0.888 6.060 1.00 0.00 C ATOM 0 H ALA A 75 5.480 -1.263 7.076 1.00 0.00 H new ATOM 0 HA ALA A 75 7.612 0.519 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.619 -0.477 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.938 -1.718 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.063 -1.245 5.249 1.00 0.00 H new ATOM 1183 N PHE A 76 5.571 1.298 5.195 1.00 0.00 N ATOM 1184 CA PHE A 76 5.163 2.384 4.307 1.00 0.00 C ATOM 1185 C PHE A 76 5.135 3.712 5.062 1.00 0.00 C ATOM 1186 O PHE A 76 5.534 4.749 4.533 1.00 0.00 O ATOM 1187 CB PHE A 76 3.781 2.102 3.711 1.00 0.00 C ATOM 1188 CG PHE A 76 3.508 2.867 2.449 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.966 2.399 1.229 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.803 4.059 2.485 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.725 3.104 0.067 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.560 4.769 1.325 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.022 4.291 0.114 1.00 0.00 C ATOM 0 H PHE A 76 4.952 0.487 5.183 1.00 0.00 H new ATOM 0 HA PHE A 76 5.891 2.450 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.693 1.035 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.018 2.349 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.518 1.472 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.440 4.437 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.086 2.727 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.009 5.697 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.834 4.845 -0.794 1.00 0.00 H new ATOM 1203 N LYS A 77 4.663 3.667 6.305 1.00 0.00 N ATOM 1204 CA LYS A 77 4.584 4.862 7.141 1.00 0.00 C ATOM 1205 C LYS A 77 5.966 5.281 7.644 1.00 0.00 C ATOM 1206 O LYS A 77 6.116 6.333 8.263 1.00 0.00 O ATOM 1207 CB LYS A 77 3.655 4.614 8.330 1.00 0.00 C ATOM 1208 CG LYS A 77 2.266 4.141 7.928 1.00 0.00 C ATOM 1209 CD LYS A 77 1.807 2.959 8.770 1.00 0.00 C ATOM 1210 CE LYS A 77 0.615 3.324 9.642 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.770 2.821 11.034 1.00 0.00 N ATOM 0 H LYS A 77 4.329 2.815 6.756 1.00 0.00 H new ATOM 0 HA LYS A 77 4.183 5.670 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.108 3.870 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.564 5.534 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.557 4.962 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.269 3.858 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.540 2.128 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.629 2.619 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.496 4.407 9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.294 2.910 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.063 3.091 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.858 1.785 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.623 3.236 11.460 1.00 0.00 H new ATOM 1225 N LYS A 78 6.973 4.455 7.377 1.00 0.00 N ATOM 1226 CA LYS A 78 8.335 4.749 7.802 1.00 0.00 C ATOM 1227 C LYS A 78 9.182 5.221 6.623 1.00 0.00 C ATOM 1228 O LYS A 78 10.203 5.885 6.807 1.00 0.00 O ATOM 1229 CB LYS A 78 8.968 3.506 8.432 1.00 0.00 C ATOM 1230 CG LYS A 78 9.487 3.737 9.842 1.00 0.00 C ATOM 1231 CD LYS A 78 9.439 2.462 10.668 1.00 0.00 C ATOM 1232 CE LYS A 78 9.772 2.731 12.127 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.399 1.549 12.781 1.00 0.00 N ATOM 0 H LYS A 78 6.870 3.577 6.868 1.00 0.00 H new ATOM 0 HA LYS A 78 8.297 5.548 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.231 2.703 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.790 3.168 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.512 4.105 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.891 4.510 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.446 2.018 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.143 1.736 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.448 3.584 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.862 3.002 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.611 1.773 13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.744 0.742 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.280 1.305 12.286 1.00 0.00 H new ATOM 1247 N LYS A 79 8.757 4.869 5.414 1.00 0.00 N ATOM 1248 CA LYS A 79 9.480 5.249 4.206 1.00 0.00 C ATOM 1249 C LYS A 79 8.988 6.587 3.661 1.00 0.00 C ATOM 1250 O LYS A 79 9.787 7.431 3.253 1.00 0.00 O ATOM 1251 CB LYS A 79 9.332 4.164 3.137 1.00 0.00 C ATOM 1252 CG LYS A 79 10.609 3.902 2.356 1.00 0.00 C ATOM 1253 CD LYS A 79 10.314 3.389 0.954 1.00 0.00 C ATOM 1254 CE LYS A 79 10.802 4.359 -0.110 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.189 4.829 0.162 1.00 0.00 N ATOM 0 H LYS A 79 7.914 4.320 5.245 1.00 0.00 H new ATOM 0 HA LYS A 79 10.533 5.356 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.011 3.238 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.544 4.455 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.192 4.821 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.219 3.173 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.793 2.420 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.241 3.233 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.767 3.875 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.130 5.216 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.745 4.797 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.161 5.806 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.631 4.213 0.874 1.00 0.00 H new ATOM 1269 N PHE A 80 7.672 6.771 3.643 1.00 0.00 N ATOM 1270 CA PHE A 80 7.083 8.007 3.132 1.00 0.00 C ATOM 1271 C PHE A 80 6.324 8.763 4.221 1.00 0.00 C ATOM 1272 O PHE A 80 5.979 9.932 4.045 1.00 0.00 O ATOM 1273 CB PHE A 80 6.140 7.706 1.965 1.00 0.00 C ATOM 1274 CG PHE A 80 6.573 6.542 1.119 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.214 5.249 1.463 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.338 6.741 -0.019 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.609 4.177 0.690 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.737 5.671 -0.797 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.372 4.388 -0.441 1.00 0.00 C ATOM 0 H PHE A 80 6.994 6.084 3.974 1.00 0.00 H new ATOM 0 HA PHE A 80 7.902 8.638 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.143 7.506 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 80 6.063 8.592 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.618 5.078 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.625 7.743 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.322 3.174 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.333 5.838 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.683 3.550 -1.047 1.00 0.00 H new ATOM 1289 N ALA A 81 6.055 8.097 5.341 1.00 0.00 N ATOM 1290 CA ALA A 81 5.326 8.722 6.440 1.00 0.00 C ATOM 1291 C ALA A 81 3.873 8.956 6.054 1.00 0.00 C ATOM 1292 O ALA A 81 3.279 9.975 6.411 1.00 0.00 O ATOM 1293 CB ALA A 81 5.989 10.031 6.847 1.00 0.00 C ATOM 0 H ALA A 81 6.329 7.129 5.511 1.00 0.00 H new ATOM 0 HA ALA A 81 5.349 8.046 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.431 10.482 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.012 9.836 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.999 10.713 5.997 1.00 0.00 H new ATOM 1299 N CYS A 82 3.307 8.006 5.318 1.00 0.00 N ATOM 1300 CA CYS A 82 1.922 8.103 4.875 1.00 0.00 C ATOM 1301 C CYS A 82 1.034 7.135 5.648 1.00 0.00 C ATOM 1302 O CYS A 82 1.513 6.146 6.203 1.00 0.00 O ATOM 1303 CB CYS A 82 1.824 7.818 3.376 1.00 0.00 C ATOM 1304 SG CYS A 82 0.207 8.189 2.660 1.00 0.00 S ATOM 0 H CYS A 82 3.787 7.159 5.015 1.00 0.00 H new ATOM 0 HA CYS A 82 1.575 9.118 5.068 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.583 8.402 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.055 6.767 3.201 1.00 0.00 H new ATOM 0 HG CYS A 82 0.020 7.453 1.605 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.262 7.426 5.680 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.219 6.581 6.384 1.00 0.00 C ATOM 1312 C ASN A 83 -1.607 5.377 5.533 1.00 0.00 C ATOM 1313 O ASN A 83 -2.044 5.526 4.393 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.468 7.385 6.750 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.341 8.068 8.097 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.528 9.279 8.213 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.019 7.292 9.126 1.00 0.00 N ATOM 0 H ASN A 83 -0.674 8.241 5.226 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.746 6.221 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.652 8.135 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.333 6.722 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.918 7.696 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.873 6.292 8.985 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.441 4.184 6.094 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.778 2.974 5.370 1.00 0.00 C ATOM 1326 C GLY A 84 -2.582 2.000 6.205 1.00 0.00 C ATOM 1327 O GLY A 84 -2.392 1.902 7.417 1.00 0.00 O ATOM 0 H GLY A 84 -1.080 4.034 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.345 3.236 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.861 2.489 5.034 1.00 0.00 H new ATOM 1331 N THR A 85 -3.483 1.274 5.552 1.00 0.00 N ATOM 1332 CA THR A 85 -4.321 0.295 6.235 1.00 0.00 C ATOM 1333 C THR A 85 -4.556 -0.927 5.354 1.00 0.00 C ATOM 1334 O THR A 85 -4.370 -0.871 4.141 1.00 0.00 O ATOM 1335 CB THR A 85 -5.660 0.924 6.624 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.454 1.161 5.476 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.513 2.237 7.362 1.00 0.00 C ATOM 0 H THR A 85 -3.652 1.345 4.549 1.00 0.00 H new ATOM 0 HA THR A 85 -3.802 -0.026 7.138 1.00 0.00 H new ATOM 0 HB THR A 85 -6.135 0.204 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.899 1.552 4.769 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.500 2.629 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.947 2.077 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.986 2.952 6.731 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.965 -2.031 5.971 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.223 -3.267 5.238 1.00 0.00 C ATOM 1347 C VAL A 86 -6.720 -3.581 5.208 1.00 0.00 C ATOM 1348 O VAL A 86 -7.302 -3.969 6.221 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.464 -4.456 5.865 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.911 -4.684 7.302 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.653 -5.715 5.030 1.00 0.00 C ATOM 0 H VAL A 86 -5.125 -2.096 6.976 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.867 -3.119 4.218 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.401 -4.215 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.363 -5.527 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.711 -3.789 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.979 -4.900 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.110 -6.541 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.713 -5.962 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.271 -5.545 4.023 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.336 -3.409 4.042 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.765 -3.674 3.887 1.00 0.00 C ATOM 1363 C ILE A 87 -9.011 -4.887 2.998 1.00 0.00 C ATOM 1364 O ILE A 87 -8.150 -5.280 2.212 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.506 -2.466 3.276 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.935 -2.125 1.897 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.423 -1.262 4.200 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.910 -2.362 0.764 1.00 0.00 C ATOM 0 H ILE A 87 -6.871 -3.088 3.193 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.150 -3.867 4.888 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.556 -2.734 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.628 -1.079 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.039 -2.722 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.952 -0.421 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.880 -1.507 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.378 -0.993 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.438 -2.099 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.199 -3.413 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.796 -1.745 0.911 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.202 -5.465 3.115 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.573 -6.619 2.311 1.00 0.00 C ATOM 1382 C GLU A 88 -11.574 -6.208 1.238 1.00 0.00 C ATOM 1383 O GLU A 88 -12.764 -6.511 1.330 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.164 -7.721 3.188 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.899 -9.117 2.654 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.180 -10.198 3.679 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.937 -9.928 4.635 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.644 -11.315 3.525 1.00 0.00 O ATOM 0 H GLU A 88 -10.926 -5.151 3.761 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.675 -7.008 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.749 -7.639 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.240 -7.570 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.517 -9.288 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.860 -9.188 2.333 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.079 -5.505 0.226 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.914 -5.029 -0.870 1.00 0.00 C ATOM 1397 C HIS A 89 -12.792 -6.146 -1.435 1.00 0.00 C ATOM 1398 O HIS A 89 -12.341 -7.280 -1.590 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.033 -4.451 -1.975 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.657 -3.303 -2.699 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.129 -3.400 -3.990 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -11.894 -2.029 -2.307 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.631 -2.236 -4.362 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.501 -1.386 -3.359 1.00 0.00 N ATOM 0 H HIS A 89 -10.095 -5.250 0.142 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.572 -4.253 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.088 -4.125 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.800 -5.238 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.651 -1.598 -1.347 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.073 -2.017 -5.323 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.802 -0.411 -3.365 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.061 -5.836 -1.755 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.996 -6.817 -2.310 1.00 0.00 C ATOM 1415 C PRO A 90 -14.754 -7.064 -3.796 1.00 0.00 C ATOM 1416 O PRO A 90 -15.169 -8.086 -4.343 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.355 -6.157 -2.092 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.074 -4.696 -2.157 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.684 -4.505 -1.607 1.00 0.00 C ATOM 0 HA PRO A 90 -14.899 -7.795 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.070 -6.458 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.782 -6.437 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.139 -4.333 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.803 -4.134 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.136 -3.743 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.706 -4.187 -0.565 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.076 -6.120 -4.443 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.772 -6.228 -5.865 1.00 0.00 C ATOM 1429 C GLU A 91 -12.560 -7.126 -6.095 1.00 0.00 C ATOM 1430 O GLU A 91 -12.386 -7.687 -7.177 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.515 -4.839 -6.452 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.421 -4.491 -7.621 1.00 0.00 C ATOM 1433 CD GLU A 91 -13.838 -4.906 -8.957 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.180 -5.967 -9.013 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.038 -4.172 -9.946 1.00 0.00 O ATOM 0 H GLU A 91 -13.726 -5.269 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.630 -6.676 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.646 -4.093 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.477 -4.779 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.387 -4.977 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.603 -3.416 -7.627 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.718 -7.250 -5.072 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.516 -8.071 -5.167 1.00 0.00 C ATOM 1444 C TYR A 92 -10.534 -9.194 -4.132 1.00 0.00 C ATOM 1445 O TYR A 92 -10.328 -10.360 -4.467 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.273 -7.197 -4.986 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.430 -5.815 -5.581 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -9.964 -5.647 -6.852 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.056 -4.682 -4.871 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.120 -4.389 -7.399 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.211 -3.419 -5.412 1.00 0.00 C ATOM 1452 CZ TYR A 92 -9.742 -3.278 -6.675 1.00 0.00 C ATOM 1453 OH TYR A 92 -9.897 -2.022 -7.217 1.00 0.00 O ATOM 0 H TYR A 92 -11.846 -6.793 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.489 -8.529 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.052 -7.106 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.418 -7.691 -5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.262 -6.515 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.638 -4.789 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.536 -4.276 -8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.917 -2.547 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.583 -1.349 -6.578 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.791 -8.838 -2.877 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.841 -9.835 -1.821 1.00 0.00 C ATOM 1465 C GLY A 93 -9.798 -9.619 -0.741 1.00 0.00 C ATOM 1466 O GLY A 93 -9.910 -10.174 0.351 1.00 0.00 O ATOM 0 H GLY A 93 -10.965 -7.880 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.832 -9.824 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.702 -10.824 -2.258 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.780 -8.817 -1.039 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.721 -8.544 -0.070 1.00 0.00 C ATOM 1472 C GLU A 94 -6.666 -7.612 -0.659 1.00 0.00 C ATOM 1473 O GLU A 94 -5.857 -8.021 -1.491 1.00 0.00 O ATOM 1474 CB GLU A 94 -7.068 -9.851 0.386 1.00 0.00 C ATOM 1475 CG GLU A 94 -7.028 -10.017 1.896 1.00 0.00 C ATOM 1476 CD GLU A 94 -5.828 -10.817 2.363 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.755 -10.698 1.736 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.963 -11.563 3.356 1.00 0.00 O ATOM 0 H GLU A 94 -8.665 -8.347 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.172 -8.051 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.611 -10.690 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.051 -9.894 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.009 -9.033 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.941 -10.511 2.228 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.681 -6.357 -0.220 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.726 -5.366 -0.703 1.00 0.00 C ATOM 1487 C VAL A 95 -5.473 -4.292 0.343 1.00 0.00 C ATOM 1488 O VAL A 95 -6.344 -3.986 1.155 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.228 -4.680 -1.985 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.205 -5.645 -3.158 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.625 -4.118 -1.771 1.00 0.00 C ATOM 0 H VAL A 95 -7.344 -6.003 0.469 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.801 -5.903 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.558 -3.853 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.564 -5.138 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.185 -5.993 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.849 -6.497 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.967 -3.635 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.307 -4.928 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.603 -3.388 -0.962 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.284 -3.705 0.307 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.937 -2.645 1.242 1.00 0.00 C ATOM 1503 C ILE A 96 -4.584 -1.339 0.793 1.00 0.00 C ATOM 1504 O ILE A 96 -4.939 -1.190 -0.374 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.401 -2.487 1.367 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.882 -3.367 2.513 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.993 -1.028 1.567 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.932 -2.708 3.877 1.00 0.00 C ATOM 0 H ILE A 96 -3.547 -3.944 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.316 -2.910 2.229 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.947 -2.815 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.468 -4.285 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.852 -3.653 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.908 -0.962 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.329 -0.436 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.451 -0.644 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.548 -3.398 4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.322 -1.805 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.963 -2.447 4.117 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.754 -0.403 1.718 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.377 0.873 1.392 1.00 0.00 C ATOM 1522 C GLN A 97 -4.568 2.046 1.939 1.00 0.00 C ATOM 1523 O GLN A 97 -4.787 2.493 3.064 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.803 0.923 1.950 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.860 1.241 0.905 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.207 1.565 1.521 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.288 2.017 2.663 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.274 1.333 0.765 1.00 0.00 N ATOM 0 H GLN A 97 -4.472 -0.502 2.693 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.408 0.959 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.037 -0.037 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.848 1.674 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.527 2.086 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.967 0.391 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.160 0.958 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.207 1.530 1.126 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.644 2.551 1.129 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.820 3.685 1.526 1.00 0.00 C ATOM 1539 C LEU A 98 -3.613 4.978 1.394 1.00 0.00 C ATOM 1540 O LEU A 98 -4.589 5.040 0.648 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.561 3.756 0.665 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.660 2.522 0.735 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.186 2.405 -0.524 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.220 2.577 1.977 1.00 0.00 C ATOM 0 H LEU A 98 -3.447 2.193 0.194 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.525 3.553 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.857 3.913 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.981 4.628 0.967 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.291 1.635 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.820 1.521 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.466 2.317 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.810 3.293 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.855 1.692 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.844 3.470 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.408 2.608 2.867 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.194 6.006 2.118 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.877 7.293 2.071 1.00 0.00 C ATOM 1558 C GLN A 99 -3.232 8.214 1.041 1.00 0.00 C ATOM 1559 O GLN A 99 -2.023 8.160 0.819 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.864 7.955 3.450 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.175 7.811 4.204 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.844 9.147 4.474 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.167 9.473 5.616 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.056 9.925 3.420 1.00 0.00 N ATOM 0 H GLN A 99 -2.388 5.976 2.743 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.911 7.116 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.062 7.520 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.636 9.014 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.853 7.179 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.991 7.303 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.772 9.614 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.503 10.834 3.539 1.00 0.00 H new ATOM 1573 N GLY A 100 -4.045 9.054 0.412 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.533 9.971 -0.589 1.00 0.00 C ATOM 1575 C GLY A 100 -3.082 9.254 -1.846 1.00 0.00 C ATOM 1576 O GLY A 100 -3.134 8.026 -1.920 1.00 0.00 O ATOM 0 H GLY A 100 -5.050 9.117 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.306 10.696 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.696 10.531 -0.172 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.637 10.020 -2.837 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.175 9.444 -4.094 1.00 0.00 C ATOM 1582 C ASP A 101 -0.758 8.900 -3.952 1.00 0.00 C ATOM 1583 O ASP A 101 0.220 9.636 -4.090 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.229 10.486 -5.213 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.490 11.759 -4.851 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.692 12.265 -3.727 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.710 12.253 -5.693 1.00 0.00 O ATOM 0 H ASP A 101 -2.587 11.038 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.838 8.618 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.797 10.064 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.269 10.723 -5.435 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.657 7.605 -3.675 1.00 0.00 N ATOM 1593 CA GLN A 102 0.632 6.948 -3.512 1.00 0.00 C ATOM 1594 C GLN A 102 0.949 6.068 -4.717 1.00 0.00 C ATOM 1595 O GLN A 102 1.919 5.316 -4.706 1.00 0.00 O ATOM 1596 CB GLN A 102 0.629 6.099 -2.237 1.00 0.00 C ATOM 1597 CG GLN A 102 1.246 6.789 -1.029 1.00 0.00 C ATOM 1598 CD GLN A 102 0.833 8.242 -0.902 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.648 9.105 -0.576 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.439 8.520 -1.158 1.00 0.00 N ATOM 0 H GLN A 102 -1.460 6.986 -3.558 1.00 0.00 H new ATOM 0 HA GLN A 102 1.401 7.717 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.399 5.824 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.171 5.173 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.956 6.254 -0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.332 6.731 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.080 7.773 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.775 9.480 -1.088 1.00 0.00 H new ATOM 1609 N ARG A 103 0.124 6.163 -5.756 1.00 0.00 N ATOM 1610 CA ARG A 103 0.321 5.372 -6.965 1.00 0.00 C ATOM 1611 C ARG A 103 1.766 5.455 -7.449 1.00 0.00 C ATOM 1612 O ARG A 103 2.271 4.535 -8.092 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.629 5.850 -8.064 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.371 7.282 -8.507 1.00 0.00 C ATOM 1615 CD ARG A 103 0.077 7.349 -9.960 1.00 0.00 C ATOM 1616 NE ARG A 103 -0.991 7.818 -10.840 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.343 9.095 -10.964 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.716 10.034 -10.265 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.324 9.436 -11.787 1.00 0.00 N ATOM 0 H ARG A 103 -0.687 6.780 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 103 0.103 4.331 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.537 5.189 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.656 5.768 -7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.278 7.872 -8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.392 7.728 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.935 8.015 -10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.407 6.362 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.497 7.125 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.039 9.778 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.990 11.012 -10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.810 8.719 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.593 10.415 -11.881 1.00 0.00 H new ATOM 1633 N LYS A 104 2.426 6.565 -7.133 1.00 0.00 N ATOM 1634 CA LYS A 104 3.812 6.772 -7.533 1.00 0.00 C ATOM 1635 C LYS A 104 4.775 6.317 -6.439 1.00 0.00 C ATOM 1636 O LYS A 104 5.930 5.991 -6.715 1.00 0.00 O ATOM 1637 CB LYS A 104 4.048 8.248 -7.858 1.00 0.00 C ATOM 1638 CG LYS A 104 5.452 8.547 -8.360 1.00 0.00 C ATOM 1639 CD LYS A 104 5.968 9.869 -7.815 1.00 0.00 C ATOM 1640 CE LYS A 104 6.213 9.797 -6.317 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.943 10.995 -5.816 1.00 0.00 N ATOM 0 H LYS A 104 2.022 7.335 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 104 4.002 6.172 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.327 8.565 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.857 8.843 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.125 7.742 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.451 8.577 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.894 10.137 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.247 10.658 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.259 9.709 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.786 8.899 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.091 10.908 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.864 11.065 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.385 11.850 -6.014 1.00 0.00 H new ATOM 1655 N ASN A 105 4.300 6.301 -5.196 1.00 0.00 N ATOM 1656 CA ASN A 105 5.132 5.889 -4.068 1.00 0.00 C ATOM 1657 C ASN A 105 4.978 4.397 -3.782 1.00 0.00 C ATOM 1658 O ASN A 105 5.942 3.728 -3.409 1.00 0.00 O ATOM 1659 CB ASN A 105 4.772 6.698 -2.822 1.00 0.00 C ATOM 1660 CG ASN A 105 5.335 8.105 -2.863 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.540 8.309 -2.725 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.460 9.086 -3.056 1.00 0.00 N ATOM 0 H ASN A 105 3.348 6.567 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 105 6.172 6.079 -4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.687 6.746 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.149 6.185 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.779 10.054 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.469 8.871 -3.166 1.00 0.00 H new ATOM 1669 N ILE A 106 3.765 3.882 -3.954 1.00 0.00 N ATOM 1670 CA ILE A 106 3.498 2.472 -3.706 1.00 0.00 C ATOM 1671 C ILE A 106 4.287 1.588 -4.667 1.00 0.00 C ATOM 1672 O ILE A 106 4.992 0.674 -4.237 1.00 0.00 O ATOM 1673 CB ILE A 106 1.992 2.150 -3.804 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.721 0.732 -3.302 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.488 2.323 -5.230 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.235 0.478 -1.900 1.00 0.00 C ATOM 0 H ILE A 106 2.955 4.419 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 106 3.823 2.260 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 106 1.449 2.853 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.647 0.546 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.183 0.019 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.424 2.090 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.646 3.353 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.033 1.650 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.008 -0.548 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.314 0.632 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.754 1.167 -1.206 1.00 0.00 H new ATOM 1688 N CYS A 107 4.198 1.876 -5.964 1.00 0.00 N ATOM 1689 CA CYS A 107 4.942 1.110 -6.958 1.00 0.00 C ATOM 1690 C CYS A 107 6.427 1.184 -6.633 1.00 0.00 C ATOM 1691 O CYS A 107 7.174 0.221 -6.808 1.00 0.00 O ATOM 1692 CB CYS A 107 4.678 1.654 -8.364 1.00 0.00 C ATOM 1693 SG CYS A 107 3.737 0.530 -9.422 1.00 0.00 S ATOM 0 H CYS A 107 3.624 2.627 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 107 4.614 0.071 -6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.138 2.597 -8.282 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.632 1.874 -8.843 1.00 0.00 H new ATOM 0 HG CYS A 107 3.742 0.977 -10.643 1.00 0.00 H new ATOM 1699 N GLN A 108 6.830 2.343 -6.125 1.00 0.00 N ATOM 1700 CA GLN A 108 8.208 2.581 -5.729 1.00 0.00 C ATOM 1701 C GLN A 108 8.507 1.818 -4.440 1.00 0.00 C ATOM 1702 O GLN A 108 9.632 1.376 -4.212 1.00 0.00 O ATOM 1703 CB GLN A 108 8.431 4.094 -5.553 1.00 0.00 C ATOM 1704 CG GLN A 108 9.521 4.479 -4.561 1.00 0.00 C ATOM 1705 CD GLN A 108 10.841 4.794 -5.236 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.178 5.958 -5.454 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.596 3.755 -5.572 1.00 0.00 N ATOM 0 H GLN A 108 6.211 3.140 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 108 8.890 2.222 -6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.678 4.524 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.493 4.548 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.195 5.347 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.666 3.664 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.277 2.807 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.495 3.905 -6.030 1.00 0.00 H new ATOM 1716 N PHE A 109 7.482 1.662 -3.606 1.00 0.00 N ATOM 1717 CA PHE A 109 7.614 0.949 -2.343 1.00 0.00 C ATOM 1718 C PHE A 109 7.780 -0.546 -2.588 1.00 0.00 C ATOM 1719 O PHE A 109 8.731 -1.163 -2.107 1.00 0.00 O ATOM 1720 CB PHE A 109 6.381 1.197 -1.471 1.00 0.00 C ATOM 1721 CG PHE A 109 6.426 0.498 -0.143 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.321 0.901 0.835 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.572 -0.559 0.129 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.363 0.263 2.060 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.610 -1.202 1.351 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.507 -0.790 2.318 1.00 0.00 C ATOM 0 H PHE A 109 6.545 2.023 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 109 8.500 1.320 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.276 2.269 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.493 0.871 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.993 1.723 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.868 -0.884 -0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.064 0.587 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.940 -2.025 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.539 -1.291 3.274 1.00 0.00 H new ATOM 1736 N LEU A 110 6.851 -1.121 -3.347 1.00 0.00 N ATOM 1737 CA LEU A 110 6.891 -2.543 -3.665 1.00 0.00 C ATOM 1738 C LEU A 110 8.223 -2.910 -4.311 1.00 0.00 C ATOM 1739 O LEU A 110 8.685 -4.044 -4.207 1.00 0.00 O ATOM 1740 CB LEU A 110 5.732 -2.912 -4.597 1.00 0.00 C ATOM 1741 CG LEU A 110 4.388 -3.169 -3.905 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.134 -2.138 -2.816 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.261 -3.153 -4.924 1.00 0.00 C ATOM 0 H LEU A 110 6.060 -0.622 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 110 6.789 -3.106 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.601 -2.108 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.009 -3.805 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 110 4.425 -4.153 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.175 -2.341 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.928 -2.192 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.117 -1.141 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.312 -3.337 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.229 -2.181 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.433 -3.930 -5.669 1.00 0.00 H new ATOM 1755 N VAL A 111 8.839 -1.935 -4.971 1.00 0.00 N ATOM 1756 CA VAL A 111 10.121 -2.150 -5.625 1.00 0.00 C ATOM 1757 C VAL A 111 11.270 -1.842 -4.669 1.00 0.00 C ATOM 1758 O VAL A 111 12.345 -2.436 -4.760 1.00 0.00 O ATOM 1759 CB VAL A 111 10.260 -1.274 -6.884 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.587 -1.536 -7.582 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.095 -1.517 -7.832 1.00 0.00 C ATOM 0 H VAL A 111 8.470 -0.989 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 111 10.164 -3.198 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 111 10.242 -0.228 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.663 -0.906 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.407 -1.306 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.643 -2.584 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.209 -0.890 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.081 -2.565 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.160 -1.270 -7.330 1.00 0.00 H new ATOM 1771 N GLU A 112 11.031 -0.913 -3.749 1.00 0.00 N ATOM 1772 CA GLU A 112 12.040 -0.525 -2.770 1.00 0.00 C ATOM 1773 C GLU A 112 12.220 -1.613 -1.717 1.00 0.00 C ATOM 1774 O GLU A 112 13.335 -2.066 -1.459 1.00 0.00 O ATOM 1775 CB GLU A 112 11.645 0.787 -2.091 1.00 0.00 C ATOM 1776 CG GLU A 112 11.940 2.021 -2.926 1.00 0.00 C ATOM 1777 CD GLU A 112 13.179 2.759 -2.458 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.265 2.141 -2.434 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.064 3.954 -2.117 1.00 0.00 O ATOM 0 H GLU A 112 10.146 -0.414 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 112 12.985 -0.387 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.580 0.761 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.173 0.867 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.068 1.728 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.084 2.695 -2.887 1.00 0.00 H new ATOM 1786 N ILE A 113 11.112 -2.024 -1.111 1.00 0.00 N ATOM 1787 CA ILE A 113 11.137 -3.055 -0.081 1.00 0.00 C ATOM 1788 C ILE A 113 11.306 -4.449 -0.684 1.00 0.00 C ATOM 1789 O ILE A 113 11.588 -5.412 0.029 1.00 0.00 O ATOM 1790 CB ILE A 113 9.846 -3.026 0.766 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.663 -3.592 -0.029 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.548 -1.606 1.224 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.349 -3.554 0.721 1.00 0.00 C ATOM 0 H ILE A 113 10.183 -1.657 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 113 11.994 -2.840 0.557 1.00 0.00 H new ATOM 0 HB ILE A 113 9.997 -3.652 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.558 -3.029 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.883 -4.623 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.635 -1.600 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.378 -1.236 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.417 -0.963 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.560 -3.971 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.435 -4.141 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.104 -2.522 0.974 1.00 0.00 H new ATOM 1805 N GLY A 114 11.115 -4.555 -1.996 1.00 0.00 N ATOM 1806 CA GLY A 114 11.232 -5.841 -2.657 1.00 0.00 C ATOM 1807 C GLY A 114 9.946 -6.636 -2.561 1.00 0.00 C ATOM 1808 O GLY A 114 9.964 -7.866 -2.532 1.00 0.00 O ATOM 0 H GLY A 114 10.882 -3.775 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.490 -5.690 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.046 -6.409 -2.207 1.00 0.00 H new ATOM 1812 N LEU A 115 8.828 -5.919 -2.506 1.00 0.00 N ATOM 1813 CA LEU A 115 7.514 -6.542 -2.405 1.00 0.00 C ATOM 1814 C LEU A 115 7.108 -7.181 -3.727 1.00 0.00 C ATOM 1815 O LEU A 115 6.991 -8.402 -3.831 1.00 0.00 O ATOM 1816 CB LEU A 115 6.473 -5.500 -1.987 1.00 0.00 C ATOM 1817 CG LEU A 115 5.322 -6.033 -1.130 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.856 -6.835 0.046 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.444 -4.890 -0.645 1.00 0.00 C ATOM 0 H LEU A 115 8.807 -4.899 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 115 7.565 -7.326 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.978 -4.707 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.055 -5.047 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 115 4.714 -6.695 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.022 -7.205 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.440 -7.678 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.489 -6.198 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.631 -5.288 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.041 -4.201 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.030 -4.360 -1.503 1.00 0.00 H new ATOM 1831 N ALA A 116 6.891 -6.345 -4.735 1.00 0.00 N ATOM 1832 CA ALA A 116 6.494 -6.823 -6.052 1.00 0.00 C ATOM 1833 C ALA A 116 7.635 -6.679 -7.054 1.00 0.00 C ATOM 1834 O ALA A 116 8.649 -6.043 -6.767 1.00 0.00 O ATOM 1835 CB ALA A 116 5.267 -6.067 -6.537 1.00 0.00 C ATOM 0 H ALA A 116 6.984 -5.332 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 116 6.248 -7.882 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.980 -6.433 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.445 -6.222 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.496 -5.003 -6.598 1.00 0.00 H new ATOM 1841 N LYS A 117 7.459 -7.269 -8.232 1.00 0.00 N ATOM 1842 CA LYS A 117 8.473 -7.202 -9.278 1.00 0.00 C ATOM 1843 C LYS A 117 8.236 -5.993 -10.177 1.00 0.00 C ATOM 1844 O LYS A 117 7.103 -5.537 -10.333 1.00 0.00 O ATOM 1845 CB LYS A 117 8.463 -8.486 -10.110 1.00 0.00 C ATOM 1846 CG LYS A 117 9.675 -9.372 -9.874 1.00 0.00 C ATOM 1847 CD LYS A 117 9.829 -9.727 -8.403 1.00 0.00 C ATOM 1848 CE LYS A 117 10.869 -8.850 -7.723 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.064 -9.631 -7.301 1.00 0.00 N ATOM 0 H LYS A 117 6.625 -7.798 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 117 9.449 -7.097 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.560 -9.051 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.415 -8.224 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.579 -10.285 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.573 -8.862 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.870 -9.613 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.117 -10.774 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.176 -8.056 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.424 -8.368 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.749 -8.997 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.775 -10.372 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.504 -10.070 -8.135 1.00 0.00 H new ATOM 1863 N ASP A 118 9.308 -5.478 -10.770 1.00 0.00 N ATOM 1864 CA ASP A 118 9.208 -4.323 -11.655 1.00 0.00 C ATOM 1865 C ASP A 118 8.215 -4.591 -12.781 1.00 0.00 C ATOM 1866 O ASP A 118 7.588 -3.669 -13.303 1.00 0.00 O ATOM 1867 CB ASP A 118 10.578 -3.974 -12.238 1.00 0.00 C ATOM 1868 CG ASP A 118 11.154 -5.095 -13.080 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.623 -6.094 -12.496 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.135 -4.974 -14.323 1.00 0.00 O ATOM 0 H ASP A 118 10.254 -5.841 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 118 8.850 -3.477 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.491 -3.074 -12.847 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.267 -3.744 -11.425 1.00 0.00 H new ATOM 1875 N ASP A 119 8.071 -5.861 -13.145 1.00 0.00 N ATOM 1876 CA ASP A 119 7.146 -6.254 -14.200 1.00 0.00 C ATOM 1877 C ASP A 119 5.722 -6.304 -13.661 1.00 0.00 C ATOM 1878 O ASP A 119 4.760 -6.049 -14.385 1.00 0.00 O ATOM 1879 CB ASP A 119 7.539 -7.618 -14.770 1.00 0.00 C ATOM 1880 CG ASP A 119 7.169 -7.761 -16.233 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.223 -7.074 -16.677 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.823 -8.560 -16.936 1.00 0.00 O ATOM 0 H ASP A 119 8.584 -6.636 -12.724 1.00 0.00 H new ATOM 0 HA ASP A 119 7.195 -5.513 -14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.613 -7.761 -14.654 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.049 -8.404 -14.195 1.00 0.00 H new ATOM 1887 N GLN A 120 5.601 -6.629 -12.378 1.00 0.00 N ATOM 1888 CA GLN A 120 4.300 -6.709 -11.724 1.00 0.00 C ATOM 1889 C GLN A 120 3.726 -5.318 -11.470 1.00 0.00 C ATOM 1890 O GLN A 120 2.539 -5.169 -11.187 1.00 0.00 O ATOM 1891 CB GLN A 120 4.422 -7.457 -10.398 1.00 0.00 C ATOM 1892 CG GLN A 120 4.614 -8.957 -10.553 1.00 0.00 C ATOM 1893 CD GLN A 120 4.332 -9.707 -9.266 1.00 0.00 C ATOM 1894 OE1 GLN A 120 5.159 -10.486 -8.794 1.00 0.00 O ATOM 1895 NE2 GLN A 120 3.157 -9.474 -8.692 1.00 0.00 N ATOM 0 H GLN A 120 6.391 -6.842 -11.769 1.00 0.00 H new ATOM 0 HA GLN A 120 3.625 -7.249 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.263 -7.049 -9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.526 -7.275 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.955 -9.327 -11.339 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.636 -9.160 -10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.502 -8.819 -9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.910 -9.950 -7.824 1.00 0.00 H new ATOM 1904 N LEU A 121 4.580 -4.303 -11.567 1.00 0.00 N ATOM 1905 CA LEU A 121 4.161 -2.924 -11.338 1.00 0.00 C ATOM 1906 C LEU A 121 2.939 -2.573 -12.177 1.00 0.00 C ATOM 1907 O LEU A 121 3.058 -2.153 -13.328 1.00 0.00 O ATOM 1908 CB LEU A 121 5.306 -1.960 -11.656 1.00 0.00 C ATOM 1909 CG LEU A 121 6.504 -2.058 -10.713 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.697 -1.308 -11.285 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.144 -1.520 -9.335 1.00 0.00 C ATOM 0 H LEU A 121 5.567 -4.410 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 121 3.893 -2.827 -10.286 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.647 -2.146 -12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.922 -0.940 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 121 6.776 -3.108 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.541 -1.389 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.970 -1.739 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.437 -0.258 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.009 -1.598 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.845 -0.475 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.320 -2.101 -8.921 1.00 0.00 H new ATOM 1923 N LYS A 122 1.763 -2.747 -11.587 1.00 0.00 N ATOM 1924 CA LYS A 122 0.513 -2.451 -12.271 1.00 0.00 C ATOM 1925 C LYS A 122 -0.181 -1.253 -11.631 1.00 0.00 C ATOM 1926 O LYS A 122 -1.175 -1.404 -10.920 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.405 -3.673 -12.243 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.341 -4.507 -13.511 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.968 -3.777 -14.688 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.172 -3.993 -15.966 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.406 -2.906 -16.956 1.00 0.00 N ATOM 0 H LYS A 122 1.650 -3.093 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 122 0.738 -2.203 -13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.138 -4.299 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.432 -3.343 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.698 -4.744 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.857 -5.454 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.990 -4.127 -14.831 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.024 -2.711 -14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.890 -4.044 -15.728 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.447 -4.951 -16.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.154 -3.090 -17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.416 -2.873 -17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.120 -1.994 -16.545 1.00 0.00 H new ATOM 1945 N VAL A 123 0.355 -0.063 -11.883 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.207 1.163 -11.330 1.00 0.00 C ATOM 1947 C VAL A 123 -1.231 1.778 -12.278 1.00 0.00 C ATOM 1948 O VAL A 123 -0.914 2.105 -13.421 1.00 0.00 O ATOM 1949 CB VAL A 123 0.893 2.201 -11.035 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.625 2.589 -12.311 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.302 3.427 -10.358 1.00 0.00 C ATOM 0 H VAL A 123 1.179 0.078 -12.468 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.700 0.891 -10.397 1.00 0.00 H new ATOM 0 HB VAL A 123 1.616 1.750 -10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.397 3.323 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.086 1.704 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.917 3.019 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.094 4.149 -10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.444 3.879 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.168 3.133 -9.419 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.461 1.930 -11.797 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.529 2.502 -12.609 1.00 0.00 C ATOM 1963 C HIS A 124 -4.108 3.763 -11.969 1.00 0.00 C ATOM 1964 O HIS A 124 -4.732 4.579 -12.647 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.628 1.466 -12.828 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.098 0.144 -13.286 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.173 -0.283 -14.594 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.461 -0.841 -12.606 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.605 -1.471 -14.700 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.165 -1.831 -13.510 1.00 0.00 N ATOM 0 H HIS A 124 -2.742 1.666 -10.853 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.105 2.786 -13.572 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.181 1.328 -11.899 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.335 1.844 -13.566 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.600 0.237 -15.361 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.230 -0.846 -11.551 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.516 -2.050 -15.608 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.898 3.921 -10.664 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.409 5.090 -9.969 1.00 0.00 C ATOM 1981 C GLY A 125 -5.895 5.296 -10.190 1.00 0.00 C ATOM 1982 O GLY A 125 -6.716 4.518 -9.701 1.00 0.00 O ATOM 0 H GLY A 125 -3.385 3.263 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.215 4.987 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.869 5.974 -10.307 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.243 6.343 -10.927 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.642 6.645 -11.209 1.00 0.00 C ATOM 1988 C PHE A 126 -7.786 7.383 -12.537 1.00 0.00 C ATOM 1989 O PHE A 126 -6.777 7.494 -13.263 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.252 7.477 -10.075 1.00 0.00 C ATOM 1991 CG PHE A 126 -7.348 8.554 -9.536 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.349 9.115 -10.319 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -7.504 9.007 -8.234 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -5.525 10.104 -9.814 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -6.683 9.996 -7.725 1.00 0.00 C ATOM 1996 CZ PHE A 126 -5.693 10.544 -8.516 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.908 7.844 -12.837 1.00 0.00 O ATOM 0 H PHE A 126 -5.578 6.997 -11.340 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.180 5.700 -11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.172 7.938 -10.434 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.528 6.809 -9.259 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.213 8.775 -11.335 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -8.276 8.582 -7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -4.751 10.532 -10.434 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -6.816 10.340 -6.710 1.00 0.00 H new ATOM 0 HZ PHE A 126 -5.050 11.316 -8.120 1.00 0.00 H new