USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 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 -171:sc= -1.53! USER MOD Set 1.2: A 102 GLN : amide:sc= -6.01! C(o=-7.5!,f=-7.3!) USER MOD Set 2.1: A 50 GLN : amide:sc= -1.81 K(o=-1.2,f=-6.4!) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.567 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.618 K(o=0.14,f=-1.8!) USER MOD Set 3.2: A 59 THR OG1 : rot -106:sc= 0.754 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -5.15! C(o=-10!,f=-11!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -5.33! C(o=-10!,f=-15!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0154 (180deg=-0.212) USER MOD Single : A 58 THR OG1 : rot 71:sc= 0.686 USER MOD Single : A 61 GLN :FLIP amide:sc= -7.52! C(o=-8.1!,f=-7.5!) USER MOD Single : A 67 TYR OH : rot -150:sc= 1.02 USER MOD Single : A 69 LYS NZ :NH3+ -141:sc= -0.167 (180deg=-2.11!) 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+ -125:sc= 0.754 (180deg=-0.107) USER MOD Single : A 83 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.083) USER MOD Single : A 85 THR OG1 : rot -43:sc= 0.195 USER MOD Single : A 89 HIS : no HD1:sc= -2.98! C(o=-3!,f=-5.5!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -8.82! C(o=-8.8!,f=-17!) USER MOD Single : A 99 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00269 X(o=-0.0027,f=0.033) USER MOD Single : A 107 CYS SG : rot -108:sc= -1.27 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -4.34 X(o=-4.3,f=-3.9!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.840 -12.526 -12.682 1.00 0.00 N ATOM 607 CA ASP A 42 0.185 -12.096 -11.449 1.00 0.00 C ATOM 608 C ASP A 42 0.589 -10.673 -11.082 1.00 0.00 C ATOM 609 O ASP A 42 1.129 -10.425 -10.005 1.00 0.00 O ATOM 610 CB ASP A 42 0.526 -13.048 -10.302 1.00 0.00 C ATOM 611 CG ASP A 42 -0.654 -13.292 -9.382 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.596 -12.472 -9.396 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.635 -14.302 -8.646 1.00 0.00 O ATOM 0 HA ASP A 42 -0.892 -12.115 -11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.866 -13.999 -10.712 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.354 -12.635 -9.725 1.00 0.00 H new ATOM 618 N TYR A 43 0.322 -9.741 -11.987 1.00 0.00 N ATOM 619 CA TYR A 43 0.660 -8.342 -11.761 1.00 0.00 C ATOM 620 C TYR A 43 0.023 -7.826 -10.477 1.00 0.00 C ATOM 621 O TYR A 43 -0.869 -8.462 -9.915 1.00 0.00 O ATOM 622 CB TYR A 43 0.215 -7.488 -12.950 1.00 0.00 C ATOM 623 CG TYR A 43 0.859 -7.882 -14.264 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.068 -8.570 -14.296 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.256 -7.562 -15.474 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.654 -8.929 -15.494 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.837 -7.918 -16.677 1.00 0.00 C ATOM 628 CZ TYR A 43 2.035 -8.602 -16.681 1.00 0.00 C ATOM 629 OH TYR A 43 2.616 -8.956 -17.877 1.00 0.00 O ATOM 0 H TYR A 43 -0.127 -9.928 -12.884 1.00 0.00 H new ATOM 0 HA TYR A 43 1.743 -8.269 -11.658 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.868 -7.560 -13.051 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.447 -6.444 -12.742 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.557 -8.828 -13.368 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.682 -7.026 -15.475 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.593 -9.463 -15.501 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.355 -7.662 -17.609 1.00 0.00 H new ATOM 0 HH TYR A 43 2.051 -8.652 -18.618 1.00 0.00 H new ATOM 639 N ILE A 44 0.485 -6.669 -10.017 1.00 0.00 N ATOM 640 CA ILE A 44 -0.040 -6.068 -8.799 1.00 0.00 C ATOM 641 C ILE A 44 -0.751 -4.755 -9.111 1.00 0.00 C ATOM 642 O ILE A 44 -0.131 -3.692 -9.155 1.00 0.00 O ATOM 643 CB ILE A 44 1.075 -5.830 -7.761 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.741 -7.155 -7.388 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.514 -5.152 -6.519 1.00 0.00 C ATOM 646 CD1 ILE A 44 0.771 -8.190 -6.864 1.00 0.00 C ATOM 0 H ILE A 44 1.222 -6.129 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.758 -6.768 -8.372 1.00 0.00 H new ATOM 0 HB ILE A 44 1.824 -5.173 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.250 -7.556 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.505 -6.969 -6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.316 -4.992 -5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.077 -4.192 -6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.253 -5.785 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.312 -9.104 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.280 -7.808 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.021 -8.405 -7.626 1.00 0.00 H new ATOM 658 N HIS A 45 -2.056 -4.849 -9.337 1.00 0.00 N ATOM 659 CA HIS A 45 -2.874 -3.686 -9.661 1.00 0.00 C ATOM 660 C HIS A 45 -2.914 -2.681 -8.514 1.00 0.00 C ATOM 661 O HIS A 45 -3.115 -3.044 -7.357 1.00 0.00 O ATOM 662 CB HIS A 45 -4.296 -4.134 -10.006 1.00 0.00 C ATOM 663 CG HIS A 45 -4.723 -3.776 -11.395 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.352 -4.501 -12.508 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.502 -2.767 -11.849 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.883 -3.952 -13.586 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.586 -2.898 -13.212 1.00 0.00 N ATOM 0 H HIS A 45 -2.574 -5.727 -9.301 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.421 -3.191 -10.520 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.366 -5.215 -9.882 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.990 -3.685 -9.296 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.971 -2.001 -11.249 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.763 -4.305 -14.600 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.107 -2.281 -13.836 1.00 0.00 H new ATOM 676 N ILE A 46 -2.735 -1.411 -8.856 1.00 0.00 N ATOM 677 CA ILE A 46 -2.771 -0.332 -7.868 1.00 0.00 C ATOM 678 C ILE A 46 -4.189 0.258 -7.781 1.00 0.00 C ATOM 679 O ILE A 46 -5.058 -0.327 -7.134 1.00 0.00 O ATOM 680 CB ILE A 46 -1.745 0.772 -8.202 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.334 0.175 -8.289 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.801 1.890 -7.169 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.252 -0.224 -6.949 1.00 0.00 C ATOM 0 H ILE A 46 -2.563 -1.099 -9.812 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.501 -0.751 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.997 1.201 -9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.361 -0.701 -8.937 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.328 0.901 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.070 2.657 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.799 2.328 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.574 1.486 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.250 -0.637 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.314 0.652 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.386 -0.975 -6.482 1.00 0.00 H new ATOM 695 N ARG A 47 -4.431 1.402 -8.444 1.00 0.00 N ATOM 696 CA ARG A 47 -5.750 2.037 -8.449 1.00 0.00 C ATOM 697 C ARG A 47 -5.952 2.940 -7.239 1.00 0.00 C ATOM 698 O ARG A 47 -5.916 2.490 -6.094 1.00 0.00 O ATOM 699 CB ARG A 47 -6.867 0.988 -8.507 1.00 0.00 C ATOM 700 CG ARG A 47 -8.121 1.473 -9.214 1.00 0.00 C ATOM 701 CD ARG A 47 -8.048 1.222 -10.712 1.00 0.00 C ATOM 702 NE ARG A 47 -8.724 -0.015 -11.094 1.00 0.00 N ATOM 703 CZ ARG A 47 -8.551 -0.623 -12.267 1.00 0.00 C ATOM 704 NH1 ARG A 47 -7.724 -0.114 -13.171 1.00 0.00 N ATOM 705 NH2 ARG A 47 -9.205 -1.745 -12.533 1.00 0.00 N ATOM 0 H ARG A 47 -3.725 1.903 -8.983 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.797 2.656 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.494 0.100 -9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.126 0.688 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.992 0.965 -8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.256 2.539 -9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.500 2.060 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.004 1.175 -11.021 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.366 -0.438 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.216 0.747 -12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.596 -0.584 -14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.840 -2.142 -11.840 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.074 -2.211 -13.431 1.00 0.00 H new ATOM 719 N ILE A 48 -6.179 4.221 -7.513 1.00 0.00 N ATOM 720 CA ILE A 48 -6.408 5.208 -6.466 1.00 0.00 C ATOM 721 C ILE A 48 -7.903 5.481 -6.310 1.00 0.00 C ATOM 722 O ILE A 48 -8.677 5.296 -7.249 1.00 0.00 O ATOM 723 CB ILE A 48 -5.662 6.531 -6.777 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.215 6.451 -6.289 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.367 7.726 -6.147 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.412 7.698 -6.587 1.00 0.00 C ATOM 0 H ILE A 48 -6.209 4.601 -8.459 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.019 4.803 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.665 6.672 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.211 6.273 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.729 5.594 -6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.819 8.638 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.381 7.799 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.406 7.597 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.395 7.574 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.386 7.865 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.876 8.555 -6.098 1.00 0.00 H new ATOM 738 N GLN A 49 -8.307 5.927 -5.123 1.00 0.00 N ATOM 739 CA GLN A 49 -9.710 6.225 -4.861 1.00 0.00 C ATOM 740 C GLN A 49 -9.863 7.533 -4.090 1.00 0.00 C ATOM 741 O GLN A 49 -9.735 7.565 -2.865 1.00 0.00 O ATOM 742 CB GLN A 49 -10.366 5.078 -4.091 1.00 0.00 C ATOM 743 CG GLN A 49 -9.769 4.843 -2.715 1.00 0.00 C ATOM 744 CD GLN A 49 -9.785 3.380 -2.315 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.911 2.608 -2.708 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.784 2.993 -1.532 1.00 0.00 N ATOM 0 H GLN A 49 -7.685 6.089 -4.331 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.212 6.338 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.430 5.287 -3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.278 4.163 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.742 5.209 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.324 5.424 -1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.487 3.668 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.849 2.020 -1.232 1.00 0.00 H new ATOM 755 N GLN A 50 -10.142 8.611 -4.817 1.00 0.00 N ATOM 756 CA GLN A 50 -10.320 9.926 -4.211 1.00 0.00 C ATOM 757 C GLN A 50 -11.803 10.290 -4.155 1.00 0.00 C ATOM 758 O GLN A 50 -12.417 10.593 -5.179 1.00 0.00 O ATOM 759 CB GLN A 50 -9.542 10.982 -5.001 1.00 0.00 C ATOM 760 CG GLN A 50 -8.669 11.875 -4.135 1.00 0.00 C ATOM 761 CD GLN A 50 -7.844 12.851 -4.950 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.361 13.531 -5.837 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.551 12.924 -4.652 1.00 0.00 N ATOM 0 H GLN A 50 -10.250 8.599 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.933 9.896 -3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.915 10.482 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.248 11.604 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.300 12.430 -3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.003 11.254 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.165 12.342 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.944 13.563 -5.166 1.00 0.00 H new ATOM 772 N ARG A 51 -12.374 10.245 -2.955 1.00 0.00 N ATOM 773 CA ARG A 51 -13.789 10.555 -2.761 1.00 0.00 C ATOM 774 C ARG A 51 -14.164 11.904 -3.374 1.00 0.00 C ATOM 775 O ARG A 51 -14.704 11.962 -4.479 1.00 0.00 O ATOM 776 CB ARG A 51 -14.134 10.544 -1.269 1.00 0.00 C ATOM 777 CG ARG A 51 -14.654 9.203 -0.774 1.00 0.00 C ATOM 778 CD ARG A 51 -13.567 8.410 -0.067 1.00 0.00 C ATOM 779 NE ARG A 51 -13.826 6.972 -0.105 1.00 0.00 N ATOM 780 CZ ARG A 51 -13.639 6.215 -1.183 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.192 6.752 -2.311 1.00 0.00 N ATOM 782 NH2 ARG A 51 -13.902 4.916 -1.133 1.00 0.00 N ATOM 0 H ARG A 51 -11.878 9.996 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.367 9.785 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.246 10.813 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.884 11.310 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.489 9.365 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.037 8.627 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.605 8.618 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.495 8.738 0.970 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.170 6.523 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.990 7.751 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.051 6.166 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.247 4.498 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.759 4.335 -1.959 1.00 0.00 H new ATOM 796 N ASN A 52 -13.886 12.985 -2.650 1.00 0.00 N ATOM 797 CA ASN A 52 -14.210 14.326 -3.126 1.00 0.00 C ATOM 798 C ASN A 52 -13.027 14.963 -3.851 1.00 0.00 C ATOM 799 O ASN A 52 -12.929 16.187 -3.941 1.00 0.00 O ATOM 800 CB ASN A 52 -14.640 15.214 -1.956 1.00 0.00 C ATOM 801 CG ASN A 52 -15.669 14.542 -1.070 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.864 14.548 -1.369 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.212 13.958 0.032 1.00 0.00 N ATOM 0 H ASN A 52 -13.438 12.959 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.034 14.236 -3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.765 15.474 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.051 16.147 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.859 13.491 0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.214 13.976 0.242 1.00 0.00 H new ATOM 810 N GLY A 53 -12.132 14.129 -4.368 1.00 0.00 N ATOM 811 CA GLY A 53 -10.972 14.633 -5.076 1.00 0.00 C ATOM 812 C GLY A 53 -9.867 15.065 -4.135 1.00 0.00 C ATOM 813 O GLY A 53 -8.991 15.843 -4.511 1.00 0.00 O ATOM 0 H GLY A 53 -12.190 13.112 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.594 13.861 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.268 15.478 -5.698 1.00 0.00 H new ATOM 817 N ARG A 54 -9.908 14.558 -2.908 1.00 0.00 N ATOM 818 CA ARG A 54 -8.902 14.898 -1.913 1.00 0.00 C ATOM 819 C ARG A 54 -8.650 13.733 -0.957 1.00 0.00 C ATOM 820 O ARG A 54 -7.508 13.460 -0.589 1.00 0.00 O ATOM 821 CB ARG A 54 -9.325 16.146 -1.137 1.00 0.00 C ATOM 822 CG ARG A 54 -10.682 16.022 -0.460 1.00 0.00 C ATOM 823 CD ARG A 54 -10.556 16.041 1.055 1.00 0.00 C ATOM 824 NE ARG A 54 -9.744 17.163 1.522 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.149 18.431 1.503 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.354 18.743 1.043 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.345 19.389 1.944 1.00 0.00 N ATOM 0 H ARG A 54 -10.626 13.912 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.969 15.107 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.571 16.364 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.347 16.996 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.326 16.840 -0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.163 15.095 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.549 16.101 1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.111 15.105 1.394 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.812 16.963 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.975 18.010 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.659 19.716 1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.417 19.154 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.654 20.361 1.930 1.00 0.00 H new ATOM 841 N LYS A 55 -9.717 13.041 -0.566 1.00 0.00 N ATOM 842 CA LYS A 55 -9.592 11.900 0.334 1.00 0.00 C ATOM 843 C LYS A 55 -9.138 10.667 -0.439 1.00 0.00 C ATOM 844 O LYS A 55 -9.852 9.667 -0.518 1.00 0.00 O ATOM 845 CB LYS A 55 -10.925 11.624 1.034 1.00 0.00 C ATOM 846 CG LYS A 55 -11.430 12.791 1.865 1.00 0.00 C ATOM 847 CD LYS A 55 -10.428 13.189 2.936 1.00 0.00 C ATOM 848 CE LYS A 55 -10.204 12.066 3.935 1.00 0.00 C ATOM 849 NZ LYS A 55 -11.452 11.718 4.668 1.00 0.00 N ATOM 0 H LYS A 55 -10.672 13.249 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.844 12.135 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.674 11.372 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.814 10.752 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.627 13.643 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.377 12.522 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.480 13.455 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.786 14.076 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.832 11.185 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.435 12.363 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.221 11.100 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.903 12.587 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.104 11.223 4.027 1.00 0.00 H new ATOM 863 N THR A 56 -7.946 10.757 -1.019 1.00 0.00 N ATOM 864 CA THR A 56 -7.386 9.664 -1.800 1.00 0.00 C ATOM 865 C THR A 56 -7.085 8.455 -0.922 1.00 0.00 C ATOM 866 O THR A 56 -6.853 8.589 0.280 1.00 0.00 O ATOM 867 CB THR A 56 -6.114 10.132 -2.509 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.020 11.546 -2.491 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.034 9.688 -3.952 1.00 0.00 C ATOM 0 H THR A 56 -7.348 11.581 -0.961 1.00 0.00 H new ATOM 0 HA THR A 56 -8.124 9.362 -2.543 1.00 0.00 H new ATOM 0 HB THR A 56 -5.293 9.673 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.077 11.811 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.107 10.054 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.053 8.599 -3.999 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.883 10.090 -4.504 1.00 0.00 H new ATOM 877 N LEU A 57 -7.092 7.273 -1.531 1.00 0.00 N ATOM 878 CA LEU A 57 -6.821 6.038 -0.806 1.00 0.00 C ATOM 879 C LEU A 57 -6.267 4.965 -1.743 1.00 0.00 C ATOM 880 O LEU A 57 -6.974 4.028 -2.115 1.00 0.00 O ATOM 881 CB LEU A 57 -8.099 5.534 -0.131 1.00 0.00 C ATOM 882 CG LEU A 57 -8.242 5.905 1.346 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.702 5.857 1.770 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.402 4.977 2.213 1.00 0.00 C ATOM 0 H LEU A 57 -7.283 7.145 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.071 6.248 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.958 5.929 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.136 4.448 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.879 6.924 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.784 6.124 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.278 6.562 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.092 4.850 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.516 5.256 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.734 3.948 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.354 5.062 1.927 1.00 0.00 H new ATOM 896 N THR A 58 -5.000 5.107 -2.123 1.00 0.00 N ATOM 897 CA THR A 58 -4.355 4.149 -3.019 1.00 0.00 C ATOM 898 C THR A 58 -4.503 2.722 -2.498 1.00 0.00 C ATOM 899 O THR A 58 -4.446 2.483 -1.293 1.00 0.00 O ATOM 900 CB THR A 58 -2.873 4.490 -3.184 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.708 5.802 -3.692 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.139 3.544 -4.113 1.00 0.00 C ATOM 0 H THR A 58 -4.399 5.875 -1.825 1.00 0.00 H new ATOM 0 HA THR A 58 -4.848 4.214 -3.989 1.00 0.00 H new ATOM 0 HB THR A 58 -2.447 4.399 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.953 6.453 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.093 3.843 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.200 2.529 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.595 3.579 -5.102 1.00 0.00 H new ATOM 910 N THR A 59 -4.688 1.773 -3.412 1.00 0.00 N ATOM 911 CA THR A 59 -4.836 0.371 -3.035 1.00 0.00 C ATOM 912 C THR A 59 -3.931 -0.520 -3.877 1.00 0.00 C ATOM 913 O THR A 59 -3.667 -0.231 -5.044 1.00 0.00 O ATOM 914 CB THR A 59 -6.291 -0.084 -3.182 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.029 0.832 -3.969 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.005 -0.234 -1.857 1.00 0.00 C ATOM 0 H THR A 59 -4.739 1.949 -4.415 1.00 0.00 H new ATOM 0 HA THR A 59 -4.542 0.280 -1.989 1.00 0.00 H new ATOM 0 HB THR A 59 -6.241 -1.061 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.621 1.357 -3.391 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.031 -0.558 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.489 -0.975 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.011 0.724 -1.336 1.00 0.00 H new ATOM 924 N VAL A 60 -3.460 -1.607 -3.275 1.00 0.00 N ATOM 925 CA VAL A 60 -2.586 -2.547 -3.969 1.00 0.00 C ATOM 926 C VAL A 60 -3.205 -3.937 -4.016 1.00 0.00 C ATOM 927 O VAL A 60 -3.379 -4.586 -2.985 1.00 0.00 O ATOM 928 CB VAL A 60 -1.203 -2.632 -3.295 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.278 -3.570 -4.061 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.588 -1.248 -3.185 1.00 0.00 C ATOM 0 H VAL A 60 -3.668 -1.859 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.462 -2.174 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.335 -3.038 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.691 -3.611 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.714 -4.568 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.148 -3.202 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.389 -1.321 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.474 -0.820 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.237 -0.608 -2.588 1.00 0.00 H new ATOM 940 N GLN A 61 -3.533 -4.389 -5.222 1.00 0.00 N ATOM 941 CA GLN A 61 -4.129 -5.707 -5.408 1.00 0.00 C ATOM 942 C GLN A 61 -3.114 -6.670 -6.012 1.00 0.00 C ATOM 943 O GLN A 61 -2.300 -6.282 -6.850 1.00 0.00 O ATOM 944 CB GLN A 61 -5.371 -5.629 -6.306 1.00 0.00 C ATOM 945 CG GLN A 61 -5.812 -4.211 -6.644 1.00 0.00 C ATOM 946 CD GLN A 61 -7.198 -4.154 -7.256 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.539 -5.161 -8.052 1.00 0.00 O flip ATOM 948 NE2 GLN A 61 -7.955 -3.213 -7.018 1.00 0.00 N flip ATOM 0 H GLN A 61 -3.396 -3.862 -6.085 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.433 -6.077 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.169 -6.165 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.195 -6.145 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.795 -3.605 -5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.096 -3.769 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.653 -2.459 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.884 -3.187 -7.438 1.00 0.00 H new ATOM 957 N GLY A 62 -3.167 -7.925 -5.584 1.00 0.00 N ATOM 958 CA GLY A 62 -2.246 -8.920 -6.097 1.00 0.00 C ATOM 959 C GLY A 62 -1.263 -9.402 -5.047 1.00 0.00 C ATOM 960 O GLY A 62 -0.883 -10.572 -5.034 1.00 0.00 O ATOM 0 H GLY A 62 -3.831 -8.271 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.811 -9.771 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.696 -8.500 -6.939 1.00 0.00 H new ATOM 964 N ILE A 63 -0.847 -8.494 -4.168 1.00 0.00 N ATOM 965 CA ILE A 63 0.102 -8.823 -3.109 1.00 0.00 C ATOM 966 C ILE A 63 -0.285 -10.119 -2.397 1.00 0.00 C ATOM 967 O ILE A 63 -1.461 -10.479 -2.336 1.00 0.00 O ATOM 968 CB ILE A 63 0.212 -7.668 -2.087 1.00 0.00 C ATOM 969 CG1 ILE A 63 0.772 -6.409 -2.762 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.084 -8.066 -0.904 1.00 0.00 C ATOM 971 CD1 ILE A 63 1.882 -6.680 -3.758 1.00 0.00 C ATOM 0 H ILE A 63 -1.154 -7.521 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 63 1.075 -8.969 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.789 -7.451 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.041 -5.892 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.146 -5.734 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.144 -7.235 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.648 -8.932 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.084 -8.316 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.222 -5.738 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.714 -7.168 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.509 -7.329 -4.551 1.00 0.00 H new ATOM 983 N ALA A 64 0.718 -10.825 -1.878 1.00 0.00 N ATOM 984 CA ALA A 64 0.491 -12.090 -1.191 1.00 0.00 C ATOM 985 C ALA A 64 0.173 -11.885 0.286 1.00 0.00 C ATOM 986 O ALA A 64 0.699 -10.974 0.927 1.00 0.00 O ATOM 987 CB ALA A 64 1.704 -12.994 -1.349 1.00 0.00 C ATOM 0 H ALA A 64 1.696 -10.540 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.376 -12.565 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.525 -13.937 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.878 -13.188 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.580 -12.506 -0.921 1.00 0.00 H new ATOM 993 N ASP A 65 -0.682 -12.751 0.820 1.00 0.00 N ATOM 994 CA ASP A 65 -1.066 -12.683 2.224 1.00 0.00 C ATOM 995 C ASP A 65 0.100 -13.092 3.122 1.00 0.00 C ATOM 996 O ASP A 65 0.110 -12.796 4.316 1.00 0.00 O ATOM 997 CB ASP A 65 -2.269 -13.590 2.492 1.00 0.00 C ATOM 998 CG ASP A 65 -3.583 -12.837 2.449 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.818 -11.999 3.345 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.379 -13.084 1.518 1.00 0.00 O ATOM 0 H ASP A 65 -1.123 -13.510 0.300 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.339 -11.653 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.288 -14.391 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.155 -14.060 3.469 1.00 0.00 H new ATOM 1005 N ASP A 66 1.083 -13.771 2.535 1.00 0.00 N ATOM 1006 CA ASP A 66 2.253 -14.216 3.279 1.00 0.00 C ATOM 1007 C ASP A 66 3.117 -13.027 3.683 1.00 0.00 C ATOM 1008 O ASP A 66 3.856 -13.086 4.666 1.00 0.00 O ATOM 1009 CB ASP A 66 3.074 -15.199 2.441 1.00 0.00 C ATOM 1010 CG ASP A 66 2.732 -16.644 2.747 1.00 0.00 C ATOM 1011 OD1 ASP A 66 1.529 -16.965 2.834 1.00 0.00 O ATOM 1012 OD2 ASP A 66 3.670 -17.455 2.902 1.00 0.00 O ATOM 0 H ASP A 66 1.090 -14.024 1.547 1.00 0.00 H new ATOM 0 HA ASP A 66 1.912 -14.721 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.901 -15.004 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.135 -15.032 2.626 1.00 0.00 H new ATOM 1017 N TYR A 67 3.016 -11.944 2.916 1.00 0.00 N ATOM 1018 CA TYR A 67 3.780 -10.735 3.187 1.00 0.00 C ATOM 1019 C TYR A 67 3.580 -10.273 4.627 1.00 0.00 C ATOM 1020 O TYR A 67 2.877 -10.917 5.406 1.00 0.00 O ATOM 1021 CB TYR A 67 3.345 -9.622 2.234 1.00 0.00 C ATOM 1022 CG TYR A 67 3.808 -9.799 0.803 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.202 -11.039 0.311 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.848 -8.712 -0.055 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.624 -11.183 -0.997 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.266 -8.847 -1.363 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.655 -10.085 -1.830 1.00 0.00 C ATOM 1028 OH TYR A 67 5.073 -10.225 -3.133 1.00 0.00 O ATOM 0 H TYR A 67 2.409 -11.882 2.099 1.00 0.00 H new ATOM 0 HA TYR A 67 4.836 -10.960 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.257 -9.558 2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.724 -8.672 2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.178 -11.902 0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.546 -7.740 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.928 -12.152 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.288 -7.988 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 67 5.488 -9.390 -3.435 1.00 0.00 H new ATOM 1038 N ASP A 68 4.189 -9.145 4.967 1.00 0.00 N ATOM 1039 CA ASP A 68 4.067 -8.585 6.305 1.00 0.00 C ATOM 1040 C ASP A 68 3.104 -7.404 6.296 1.00 0.00 C ATOM 1041 O ASP A 68 3.527 -6.249 6.274 1.00 0.00 O ATOM 1042 CB ASP A 68 5.436 -8.141 6.827 1.00 0.00 C ATOM 1043 CG ASP A 68 6.511 -9.185 6.596 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.159 -10.368 6.400 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.705 -8.820 6.608 1.00 0.00 O ATOM 0 H ASP A 68 4.773 -8.600 4.333 1.00 0.00 H new ATOM 0 HA ASP A 68 3.675 -9.356 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.725 -7.212 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.363 -7.929 7.894 1.00 0.00 H new ATOM 1050 N LYS A 69 1.806 -7.705 6.302 1.00 0.00 N ATOM 1051 CA LYS A 69 0.768 -6.673 6.285 1.00 0.00 C ATOM 1052 C LYS A 69 1.129 -5.505 7.200 1.00 0.00 C ATOM 1053 O LYS A 69 0.957 -4.341 6.836 1.00 0.00 O ATOM 1054 CB LYS A 69 -0.576 -7.270 6.707 1.00 0.00 C ATOM 1055 CG LYS A 69 -1.040 -8.416 5.821 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.551 -9.588 6.644 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.748 -10.254 5.982 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.966 -9.400 6.047 1.00 0.00 N ATOM 0 H LYS A 69 1.446 -8.659 6.319 1.00 0.00 H new ATOM 0 HA LYS A 69 0.691 -6.293 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.499 -7.625 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.332 -6.485 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.830 -8.066 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.215 -8.746 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.752 -10.319 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.830 -9.241 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.512 -10.471 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.948 -11.208 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.798 -9.996 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.862 -8.705 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.089 -8.901 5.143 1.00 0.00 H new ATOM 1072 N LYS A 70 1.634 -5.827 8.385 1.00 0.00 N ATOM 1073 CA LYS A 70 2.024 -4.807 9.349 1.00 0.00 C ATOM 1074 C LYS A 70 3.247 -4.037 8.861 1.00 0.00 C ATOM 1075 O LYS A 70 3.203 -2.818 8.706 1.00 0.00 O ATOM 1076 CB LYS A 70 2.317 -5.447 10.708 1.00 0.00 C ATOM 1077 CG LYS A 70 1.234 -6.407 11.173 1.00 0.00 C ATOM 1078 CD LYS A 70 1.222 -6.548 12.688 1.00 0.00 C ATOM 1079 CE LYS A 70 -0.156 -6.267 13.266 1.00 0.00 C ATOM 1080 NZ LYS A 70 -0.437 -7.102 14.466 1.00 0.00 N ATOM 0 H LYS A 70 1.783 -6.786 8.701 1.00 0.00 H new ATOM 0 HA LYS A 70 1.196 -4.106 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.265 -5.981 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.438 -4.660 11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.261 -6.051 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.393 -7.384 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.534 -7.556 12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.947 -5.860 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.229 -5.213 13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.914 -6.457 12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.386 -6.880 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.392 -8.108 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.271 -6.902 15.201 1.00 0.00 H new ATOM 1094 N LYS A 71 4.339 -4.757 8.624 1.00 0.00 N ATOM 1095 CA LYS A 71 5.578 -4.142 8.159 1.00 0.00 C ATOM 1096 C LYS A 71 5.368 -3.388 6.848 1.00 0.00 C ATOM 1097 O LYS A 71 6.028 -2.381 6.592 1.00 0.00 O ATOM 1098 CB LYS A 71 6.664 -5.207 7.982 1.00 0.00 C ATOM 1099 CG LYS A 71 7.839 -5.039 8.932 1.00 0.00 C ATOM 1100 CD LYS A 71 7.468 -5.440 10.351 1.00 0.00 C ATOM 1101 CE LYS A 71 7.385 -6.950 10.499 1.00 0.00 C ATOM 1102 NZ LYS A 71 6.609 -7.347 11.708 1.00 0.00 N ATOM 0 H LYS A 71 4.391 -5.768 8.746 1.00 0.00 H new ATOM 0 HA LYS A 71 5.898 -3.424 8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.223 -6.192 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.029 -5.175 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.676 -5.646 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.172 -4.001 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.208 -5.045 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.510 -4.994 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.918 -7.377 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.391 -7.365 10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.575 -8.384 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.068 -6.961 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.641 -6.973 11.638 1.00 0.00 H new ATOM 1116 N LEU A 72 4.455 -3.881 6.017 1.00 0.00 N ATOM 1117 CA LEU A 72 4.174 -3.246 4.733 1.00 0.00 C ATOM 1118 C LEU A 72 3.673 -1.821 4.928 1.00 0.00 C ATOM 1119 O LEU A 72 4.289 -0.869 4.450 1.00 0.00 O ATOM 1120 CB LEU A 72 3.151 -4.070 3.941 1.00 0.00 C ATOM 1121 CG LEU A 72 3.735 -5.208 3.087 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.158 -5.541 3.520 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.849 -6.443 3.168 1.00 0.00 C ATOM 0 H LEU A 72 3.899 -4.715 6.208 1.00 0.00 H new ATOM 0 HA LEU A 72 5.103 -3.204 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.434 -4.497 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.596 -3.397 3.287 1.00 0.00 H new ATOM 0 HG LEU A 72 3.768 -4.871 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.547 -6.349 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.789 -4.659 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.157 -5.853 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.277 -7.238 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.783 -6.776 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.852 -6.200 2.800 1.00 0.00 H new ATOM 1135 N VAL A 73 2.561 -1.674 5.639 1.00 0.00 N ATOM 1136 CA VAL A 73 2.002 -0.353 5.895 1.00 0.00 C ATOM 1137 C VAL A 73 2.807 0.375 6.966 1.00 0.00 C ATOM 1138 O VAL A 73 2.887 1.603 6.968 1.00 0.00 O ATOM 1139 CB VAL A 73 0.525 -0.429 6.328 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.364 -0.739 5.133 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.341 -1.468 7.426 1.00 0.00 C ATOM 0 H VAL A 73 2.033 -2.446 6.045 1.00 0.00 H new ATOM 0 HA VAL A 73 2.056 0.202 4.958 1.00 0.00 H new ATOM 0 HB VAL A 73 0.231 0.541 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.404 -0.789 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.254 0.046 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.072 -1.696 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.708 -1.507 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.651 -2.446 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.948 -1.196 8.289 1.00 0.00 H new ATOM 1151 N LYS A 74 3.416 -0.393 7.868 1.00 0.00 N ATOM 1152 CA LYS A 74 4.230 0.184 8.930 1.00 0.00 C ATOM 1153 C LYS A 74 5.493 0.798 8.340 1.00 0.00 C ATOM 1154 O LYS A 74 5.804 1.963 8.583 1.00 0.00 O ATOM 1155 CB LYS A 74 4.598 -0.882 9.966 1.00 0.00 C ATOM 1156 CG LYS A 74 5.518 -0.374 11.066 1.00 0.00 C ATOM 1157 CD LYS A 74 6.851 -1.103 11.061 1.00 0.00 C ATOM 1158 CE LYS A 74 7.989 -0.187 11.483 1.00 0.00 C ATOM 1159 NZ LYS A 74 9.260 -0.519 10.780 1.00 0.00 N ATOM 0 H LYS A 74 3.360 -1.411 7.883 1.00 0.00 H new ATOM 0 HA LYS A 74 3.652 0.963 9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.684 -1.267 10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.080 -1.718 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.687 0.695 10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.035 -0.504 12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.802 -1.958 11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.049 -1.495 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.718 0.848 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.138 -0.266 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.011 0.128 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.532 -1.498 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.125 -0.419 9.754 1.00 0.00 H new ATOM 1173 N ALA A 75 6.210 0.006 7.546 1.00 0.00 N ATOM 1174 CA ALA A 75 7.428 0.476 6.903 1.00 0.00 C ATOM 1175 C ALA A 75 7.115 1.639 5.973 1.00 0.00 C ATOM 1176 O ALA A 75 7.838 2.635 5.941 1.00 0.00 O ATOM 1177 CB ALA A 75 8.096 -0.656 6.136 1.00 0.00 C ATOM 0 H ALA A 75 5.967 -0.962 7.335 1.00 0.00 H new ATOM 0 HA ALA A 75 8.118 0.822 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.005 -0.287 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.348 -1.463 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.414 -1.030 5.372 1.00 0.00 H new ATOM 1183 N PHE A 76 6.022 1.508 5.224 1.00 0.00 N ATOM 1184 CA PHE A 76 5.596 2.553 4.295 1.00 0.00 C ATOM 1185 C PHE A 76 5.637 3.929 4.961 1.00 0.00 C ATOM 1186 O PHE A 76 6.267 4.857 4.456 1.00 0.00 O ATOM 1187 CB PHE A 76 4.183 2.267 3.786 1.00 0.00 C ATOM 1188 CG PHE A 76 3.867 2.955 2.488 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.484 2.559 1.314 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.957 3.997 2.444 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.199 3.188 0.118 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.667 4.630 1.252 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.290 4.225 0.087 1.00 0.00 C ATOM 0 H PHE A 76 5.415 0.688 5.242 1.00 0.00 H new ATOM 0 HA PHE A 76 6.288 2.556 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.061 1.191 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.462 2.582 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.197 1.748 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.469 4.318 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.687 2.869 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.954 5.441 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.066 4.720 -0.846 1.00 0.00 H new ATOM 1203 N LYS A 77 4.963 4.048 6.103 1.00 0.00 N ATOM 1204 CA LYS A 77 4.924 5.306 6.844 1.00 0.00 C ATOM 1205 C LYS A 77 6.331 5.765 7.225 1.00 0.00 C ATOM 1206 O LYS A 77 6.556 6.940 7.509 1.00 0.00 O ATOM 1207 CB LYS A 77 4.068 5.154 8.103 1.00 0.00 C ATOM 1208 CG LYS A 77 2.576 5.304 7.850 1.00 0.00 C ATOM 1209 CD LYS A 77 1.794 5.381 9.151 1.00 0.00 C ATOM 1210 CE LYS A 77 1.969 4.120 9.982 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.366 4.260 11.337 1.00 0.00 N ATOM 0 H LYS A 77 4.437 3.289 6.535 1.00 0.00 H new ATOM 0 HA LYS A 77 4.480 6.062 6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.256 4.175 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.380 5.898 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.395 6.204 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.220 4.460 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.126 6.246 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.737 5.530 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.509 3.278 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.031 3.893 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.506 3.379 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.822 5.048 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.348 4.451 11.246 1.00 0.00 H new ATOM 1225 N LYS A 78 7.277 4.832 7.228 1.00 0.00 N ATOM 1226 CA LYS A 78 8.657 5.149 7.571 1.00 0.00 C ATOM 1227 C LYS A 78 9.395 5.739 6.375 1.00 0.00 C ATOM 1228 O LYS A 78 10.440 6.372 6.528 1.00 0.00 O ATOM 1229 CB LYS A 78 9.381 3.893 8.055 1.00 0.00 C ATOM 1230 CG LYS A 78 10.696 4.181 8.760 1.00 0.00 C ATOM 1231 CD LYS A 78 10.473 4.596 10.205 1.00 0.00 C ATOM 1232 CE LYS A 78 11.507 5.615 10.658 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.016 6.433 11.801 1.00 0.00 N ATOM 0 H LYS A 78 7.113 3.852 6.997 1.00 0.00 H new ATOM 0 HA LYS A 78 8.645 5.890 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.727 3.346 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.571 3.242 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.329 3.294 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.228 4.972 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.474 5.017 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.520 3.717 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.423 5.099 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.760 6.270 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.750 7.115 12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.157 6.945 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.798 5.811 12.605 1.00 0.00 H new ATOM 1247 N LYS A 79 8.853 5.521 5.180 1.00 0.00 N ATOM 1248 CA LYS A 79 9.471 6.024 3.962 1.00 0.00 C ATOM 1249 C LYS A 79 8.737 7.250 3.421 1.00 0.00 C ATOM 1250 O LYS A 79 9.365 8.201 2.955 1.00 0.00 O ATOM 1251 CB LYS A 79 9.503 4.926 2.894 1.00 0.00 C ATOM 1252 CG LYS A 79 10.137 5.368 1.584 1.00 0.00 C ATOM 1253 CD LYS A 79 10.572 4.177 0.744 1.00 0.00 C ATOM 1254 CE LYS A 79 11.261 4.620 -0.536 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.640 5.122 -0.279 1.00 0.00 N ATOM 0 H LYS A 79 7.989 5.000 5.032 1.00 0.00 H new ATOM 0 HA LYS A 79 10.490 6.323 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.053 4.069 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.484 4.590 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.426 5.972 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.999 6.002 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.248 3.549 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.703 3.567 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.303 3.784 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.672 5.404 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.738 6.082 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.816 5.143 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.330 4.492 -0.736 1.00 0.00 H new ATOM 1269 N PHE A 80 7.407 7.220 3.470 1.00 0.00 N ATOM 1270 CA PHE A 80 6.605 8.333 2.963 1.00 0.00 C ATOM 1271 C PHE A 80 5.698 8.926 4.043 1.00 0.00 C ATOM 1272 O PHE A 80 5.115 9.992 3.849 1.00 0.00 O ATOM 1273 CB PHE A 80 5.755 7.877 1.772 1.00 0.00 C ATOM 1274 CG PHE A 80 6.379 6.766 0.973 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.295 5.455 1.409 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.049 7.036 -0.210 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.870 4.431 0.680 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.625 6.015 -0.943 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.535 4.711 -0.497 1.00 0.00 C ATOM 0 H PHE A 80 6.865 6.445 3.852 1.00 0.00 H new ATOM 0 HA PHE A 80 7.299 9.110 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.782 7.548 2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.578 8.729 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.775 5.230 2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.122 8.054 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.799 3.412 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.145 6.237 -1.863 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.984 3.912 -1.068 1.00 0.00 H new ATOM 1289 N ALA A 81 5.572 8.236 5.174 1.00 0.00 N ATOM 1290 CA ALA A 81 4.725 8.715 6.260 1.00 0.00 C ATOM 1291 C ALA A 81 3.268 8.788 5.820 1.00 0.00 C ATOM 1292 O ALA A 81 2.548 9.724 6.167 1.00 0.00 O ATOM 1293 CB ALA A 81 5.200 10.078 6.744 1.00 0.00 C ATOM 0 H ALA A 81 6.042 7.350 5.361 1.00 0.00 H new ATOM 0 HA ALA A 81 4.798 8.006 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.557 10.421 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.226 9.999 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.158 10.791 5.921 1.00 0.00 H new ATOM 1299 N CYS A 82 2.843 7.791 5.053 1.00 0.00 N ATOM 1300 CA CYS A 82 1.473 7.737 4.560 1.00 0.00 C ATOM 1301 C CYS A 82 0.664 6.690 5.319 1.00 0.00 C ATOM 1302 O CYS A 82 1.128 5.571 5.537 1.00 0.00 O ATOM 1303 CB CYS A 82 1.460 7.423 3.065 1.00 0.00 C ATOM 1304 SG CYS A 82 2.315 8.649 2.047 1.00 0.00 S ATOM 0 H CYS A 82 3.428 7.009 4.759 1.00 0.00 H new ATOM 0 HA CYS A 82 1.015 8.713 4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.921 6.448 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.426 7.345 2.730 1.00 0.00 H new ATOM 0 HG CYS A 82 2.094 8.400 0.790 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.545 7.062 5.718 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.421 6.158 6.453 1.00 0.00 C ATOM 1312 C ASN A 83 -1.742 4.919 5.624 1.00 0.00 C ATOM 1313 O ASN A 83 -2.546 4.973 4.694 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.714 6.876 6.844 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.687 7.375 8.275 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.952 8.547 8.540 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.367 6.484 9.206 1.00 0.00 N ATOM 0 H ASN A 83 -0.942 7.985 5.545 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.902 5.842 7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.877 7.718 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.557 6.197 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.334 6.761 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.155 5.522 8.940 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.107 3.802 5.969 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.339 2.564 5.248 1.00 0.00 C ATOM 1326 C GLY A 84 -2.141 1.567 6.059 1.00 0.00 C ATOM 1327 O GLY A 84 -1.817 1.295 7.215 1.00 0.00 O ATOM 0 H GLY A 84 -0.437 3.733 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.866 2.781 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.382 2.120 4.975 1.00 0.00 H new ATOM 1331 N THR A 85 -3.190 1.022 5.455 1.00 0.00 N ATOM 1332 CA THR A 85 -4.041 0.050 6.136 1.00 0.00 C ATOM 1333 C THR A 85 -4.258 -1.193 5.278 1.00 0.00 C ATOM 1334 O THR A 85 -4.219 -1.128 4.051 1.00 0.00 O ATOM 1335 CB THR A 85 -5.390 0.680 6.486 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.161 0.895 5.317 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.264 2.007 7.202 1.00 0.00 C ATOM 0 H THR A 85 -3.472 1.235 4.498 1.00 0.00 H new ATOM 0 HA THR A 85 -3.535 -0.251 7.053 1.00 0.00 H new ATOM 0 HB THR A 85 -5.875 -0.031 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.589 1.261 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.258 2.398 7.420 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.716 1.867 8.134 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.727 2.713 6.568 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.492 -2.324 5.937 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.724 -3.586 5.242 1.00 0.00 C ATOM 1347 C VAL A 86 -6.219 -3.878 5.140 1.00 0.00 C ATOM 1348 O VAL A 86 -6.951 -3.754 6.122 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.028 -4.759 5.963 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.593 -4.939 7.365 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.166 -6.041 5.156 1.00 0.00 C ATOM 0 H VAL A 86 -4.526 -2.392 6.954 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.303 -3.487 4.242 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.967 -4.526 6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.089 -5.771 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.434 -4.027 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.661 -5.148 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.669 -6.857 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.222 -6.280 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.706 -5.906 4.177 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.669 -4.265 3.952 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.079 -4.570 3.737 1.00 0.00 C ATOM 1363 C ILE A 87 -8.259 -5.666 2.693 1.00 0.00 C ATOM 1364 O ILE A 87 -7.550 -5.703 1.687 1.00 0.00 O ATOM 1365 CB ILE A 87 -8.865 -3.323 3.287 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.245 -2.730 2.022 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -8.902 -2.288 4.400 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.174 -1.801 1.272 1.00 0.00 C ATOM 0 H ILE A 87 -6.081 -4.375 3.126 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.470 -4.915 4.694 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.889 -3.621 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.340 -2.186 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.944 -3.542 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.461 -1.414 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.387 -2.715 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.885 -1.992 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.668 -1.418 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.069 -2.346 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.456 -0.969 1.917 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.216 -6.556 2.937 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.494 -7.648 2.015 1.00 0.00 C ATOM 1382 C GLU A 88 -10.668 -7.300 1.109 1.00 0.00 C ATOM 1383 O GLU A 88 -11.768 -7.833 1.261 1.00 0.00 O ATOM 1384 CB GLU A 88 -9.791 -8.935 2.785 1.00 0.00 C ATOM 1385 CG GLU A 88 -9.588 -10.192 1.956 1.00 0.00 C ATOM 1386 CD GLU A 88 -9.378 -11.426 2.811 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -8.936 -11.278 3.969 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -9.655 -12.541 2.321 1.00 0.00 O ATOM 0 H GLU A 88 -9.811 -6.541 3.765 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.610 -7.804 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.149 -8.980 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.820 -8.907 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.455 -10.343 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.726 -10.056 1.302 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.424 -6.397 0.167 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.454 -5.966 -0.770 1.00 0.00 C ATOM 1397 C HIS A 89 -12.072 -7.160 -1.499 1.00 0.00 C ATOM 1398 O HIS A 89 -11.356 -7.996 -2.049 1.00 0.00 O ATOM 1399 CB HIS A 89 -10.858 -4.989 -1.784 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.818 -3.937 -2.241 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.381 -3.931 -3.501 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.319 -2.853 -1.602 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.185 -2.890 -3.616 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.166 -2.220 -2.479 1.00 0.00 N ATOM 0 H HIS A 89 -9.518 -5.948 0.032 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.242 -5.468 -0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.987 -4.506 -1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.506 -5.548 -2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.095 -2.544 -0.592 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.761 -2.631 -4.492 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.695 -1.370 -2.283 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.415 -7.257 -1.517 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.115 -8.356 -2.190 1.00 0.00 C ATOM 1415 C PRO A 90 -14.096 -8.215 -3.710 1.00 0.00 C ATOM 1416 O PRO A 90 -14.418 -9.156 -4.434 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.542 -8.240 -1.658 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.707 -6.794 -1.341 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.355 -6.306 -0.892 1.00 0.00 C ATOM 0 HA PRO A 90 -13.648 -9.321 -1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.270 -8.569 -2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.687 -8.859 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.050 -6.240 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.453 -6.649 -0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.169 -5.284 -1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.268 -6.312 0.194 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.714 -7.033 -4.186 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.650 -6.766 -5.618 1.00 0.00 C ATOM 1429 C GLU A 91 -12.303 -7.198 -6.192 1.00 0.00 C ATOM 1430 O GLU A 91 -12.184 -7.470 -7.387 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.884 -5.279 -5.886 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.076 -5.002 -6.786 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.368 -5.582 -6.243 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.318 -6.286 -5.212 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.431 -5.334 -6.851 1.00 0.00 O ATOM 0 H GLU A 91 -13.444 -6.244 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.432 -7.344 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.030 -4.766 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.989 -4.856 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.190 -3.925 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.883 -5.418 -7.775 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.289 -7.255 -5.332 1.00 0.00 N ATOM 1443 CA TYR A 92 -9.948 -7.649 -5.751 1.00 0.00 C ATOM 1444 C TYR A 92 -9.460 -8.852 -4.950 1.00 0.00 C ATOM 1445 O TYR A 92 -9.083 -9.878 -5.517 1.00 0.00 O ATOM 1446 CB TYR A 92 -8.973 -6.481 -5.582 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.608 -5.125 -5.794 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.409 -4.880 -6.902 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.408 -4.092 -4.887 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.993 -3.644 -7.101 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.989 -2.852 -5.078 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.780 -2.634 -6.187 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.361 -1.402 -6.381 1.00 0.00 O ATOM 0 H TYR A 92 -11.371 -7.033 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.991 -7.928 -6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.544 -6.519 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.150 -6.601 -6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.578 -5.669 -7.620 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.789 -4.260 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.613 -3.470 -7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.825 -2.059 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.112 -0.804 -5.646 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.470 -8.718 -3.628 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.028 -9.800 -2.768 1.00 0.00 C ATOM 1465 C GLY A 93 -7.698 -9.508 -2.101 1.00 0.00 C ATOM 1466 O GLY A 93 -6.640 -9.696 -2.702 1.00 0.00 O ATOM 0 H GLY A 93 -9.777 -7.879 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.782 -9.982 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.943 -10.714 -3.355 1.00 0.00 H new ATOM 1470 N GLU A 94 -7.753 -9.049 -0.855 1.00 0.00 N ATOM 1471 CA GLU A 94 -6.545 -8.734 -0.100 1.00 0.00 C ATOM 1472 C GLU A 94 -5.768 -7.595 -0.755 1.00 0.00 C ATOM 1473 O GLU A 94 -4.943 -7.823 -1.639 1.00 0.00 O ATOM 1474 CB GLU A 94 -5.652 -9.970 0.019 1.00 0.00 C ATOM 1475 CG GLU A 94 -4.486 -9.789 0.977 1.00 0.00 C ATOM 1476 CD GLU A 94 -3.376 -8.935 0.394 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -2.496 -9.493 -0.292 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.389 -7.708 0.625 1.00 0.00 O ATOM 0 H GLU A 94 -8.622 -8.887 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.849 -8.415 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.257 -10.814 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.265 -10.224 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.846 -9.331 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.085 -10.767 1.243 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.033 -6.371 -0.311 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.350 -5.201 -0.849 1.00 0.00 C ATOM 1487 C VAL A 95 -5.011 -4.211 0.259 1.00 0.00 C ATOM 1488 O VAL A 95 -5.776 -4.040 1.207 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.202 -4.489 -1.918 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.445 -5.405 -3.109 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.519 -4.012 -1.325 1.00 0.00 C ATOM 0 H VAL A 95 -6.715 -6.164 0.419 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.430 -5.557 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.652 -3.616 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.048 -4.883 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.490 -5.688 -3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.971 -6.300 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.105 -3.512 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.076 -4.867 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.320 -3.315 -0.511 1.00 0.00 H new ATOM 1501 N ILE A 96 -3.862 -3.556 0.130 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.431 -2.578 1.121 1.00 0.00 C ATOM 1503 C ILE A 96 -3.896 -1.183 0.721 1.00 0.00 C ATOM 1504 O ILE A 96 -3.600 -0.712 -0.376 1.00 0.00 O ATOM 1505 CB ILE A 96 -1.896 -2.606 1.310 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.528 -3.634 2.384 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.349 -1.227 1.671 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.769 -3.154 3.800 1.00 0.00 C ATOM 0 H ILE A 96 -3.215 -3.684 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.887 -2.841 2.076 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.439 -2.896 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.105 -4.543 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.476 -3.899 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.268 -1.286 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.584 -0.522 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.804 -0.887 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.485 -3.937 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.171 -2.262 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.825 -2.917 3.929 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.635 -0.537 1.612 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.159 0.796 1.345 1.00 0.00 C ATOM 1522 C GLN A 97 -4.269 1.880 1.944 1.00 0.00 C ATOM 1523 O GLN A 97 -4.212 2.051 3.162 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.580 0.927 1.904 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.597 1.416 0.885 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.811 2.052 1.533 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.292 3.095 1.090 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.315 1.425 2.590 1.00 0.00 N ATOM 0 H GLN A 97 -4.885 -0.914 2.526 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.177 0.932 0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.900 -0.042 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.566 1.615 2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.123 2.139 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.917 0.578 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.885 0.563 2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.132 1.806 3.067 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.595 2.625 1.077 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.728 3.711 1.512 1.00 0.00 C ATOM 1539 C LEU A 98 -3.468 5.036 1.415 1.00 0.00 C ATOM 1540 O LEU A 98 -4.424 5.164 0.653 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.459 3.763 0.664 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.563 2.530 0.760 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.262 2.371 -0.508 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.339 2.623 1.982 1.00 0.00 C ATOM 0 H LEU A 98 -3.633 2.496 0.066 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.444 3.531 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.743 3.906 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.879 4.638 0.959 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.196 1.649 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.895 1.488 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.404 2.259 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.887 3.253 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.971 1.737 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.966 3.512 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.273 2.688 2.882 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.029 6.018 2.189 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.667 7.331 2.182 1.00 0.00 C ATOM 1558 C GLN A 99 -2.982 8.270 1.194 1.00 0.00 C ATOM 1559 O GLN A 99 -1.753 8.344 1.139 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.646 7.939 3.586 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.929 7.712 4.366 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.886 8.883 4.267 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.829 9.816 5.069 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.772 8.842 3.280 1.00 0.00 N ATOM 0 H GLN A 99 -2.238 5.934 2.827 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.702 7.200 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.811 7.515 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.464 9.011 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.421 6.813 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.686 7.533 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.784 8.049 2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.441 9.603 3.163 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.786 8.987 0.415 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.245 9.914 -0.563 1.00 0.00 C ATOM 1575 C GLY A 100 -2.849 9.226 -1.854 1.00 0.00 C ATOM 1576 O GLY A 100 -2.918 8.002 -1.960 1.00 0.00 O ATOM 0 H GLY A 100 -4.805 8.942 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.985 10.685 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.375 10.417 -0.141 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.426 10.014 -2.839 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.012 9.470 -4.126 1.00 0.00 C ATOM 1582 C ASP A 101 -0.640 8.815 -4.017 1.00 0.00 C ATOM 1583 O ASP A 101 0.389 9.480 -4.145 1.00 0.00 O ATOM 1584 CB ASP A 101 -1.983 10.571 -5.187 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.141 11.762 -4.765 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.644 11.761 -3.617 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.978 12.692 -5.583 1.00 0.00 O ATOM 0 H ASP A 101 -2.362 11.030 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.737 8.712 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.590 10.164 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.001 10.903 -5.389 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.631 7.509 -3.773 1.00 0.00 N ATOM 1593 CA GLN A 102 0.612 6.761 -3.638 1.00 0.00 C ATOM 1594 C GLN A 102 0.837 5.835 -4.831 1.00 0.00 C ATOM 1595 O GLN A 102 1.778 5.044 -4.839 1.00 0.00 O ATOM 1596 CB GLN A 102 0.594 5.946 -2.343 1.00 0.00 C ATOM 1597 CG GLN A 102 1.328 6.608 -1.186 1.00 0.00 C ATOM 1598 CD GLN A 102 1.031 8.090 -1.070 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.928 8.900 -0.837 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.234 8.453 -1.235 1.00 0.00 N ATOM 0 H GLN A 102 -1.474 6.945 -3.664 1.00 0.00 H new ATOM 0 HA GLN A 102 1.433 7.477 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.441 5.770 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.041 4.970 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.050 6.113 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.401 6.467 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.946 7.748 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.495 9.437 -1.170 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.026 5.933 -5.839 1.00 0.00 N ATOM 1610 CA ARG A 103 0.091 5.095 -7.029 1.00 0.00 C ATOM 1611 C ARG A 103 1.521 5.106 -7.576 1.00 0.00 C ATOM 1612 O ARG A 103 1.953 4.155 -8.227 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.905 5.555 -8.105 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.392 6.671 -9.009 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.235 7.982 -8.255 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.154 9.007 -8.742 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.989 10.311 -8.536 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.058 10.754 -7.851 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -1.872 11.175 -9.017 1.00 0.00 N ATOM 0 H ARG A 103 -0.812 6.583 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.149 4.070 -6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.173 4.698 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.818 5.893 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.568 6.380 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.082 6.811 -9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.411 7.813 -7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.791 8.337 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.972 8.705 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.741 10.094 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.180 11.755 -7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.678 10.840 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.746 12.175 -8.859 1.00 0.00 H new ATOM 1633 N LYS A 104 2.246 6.188 -7.307 1.00 0.00 N ATOM 1634 CA LYS A 104 3.621 6.322 -7.772 1.00 0.00 C ATOM 1635 C LYS A 104 4.617 5.985 -6.663 1.00 0.00 C ATOM 1636 O LYS A 104 5.759 5.615 -6.936 1.00 0.00 O ATOM 1637 CB LYS A 104 3.872 7.743 -8.280 1.00 0.00 C ATOM 1638 CG LYS A 104 5.064 7.854 -9.216 1.00 0.00 C ATOM 1639 CD LYS A 104 6.141 8.762 -8.646 1.00 0.00 C ATOM 1640 CE LYS A 104 5.655 10.197 -8.528 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.776 11.173 -8.623 1.00 0.00 N ATOM 0 H LYS A 104 1.903 6.984 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 104 3.767 5.615 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.980 8.097 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.029 8.402 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.480 6.863 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.735 8.240 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.444 8.397 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.023 8.727 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.929 10.400 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.139 10.328 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.403 12.140 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.456 10.996 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.253 11.066 -9.541 1.00 0.00 H new ATOM 1655 N ASN A 105 4.181 6.116 -5.412 1.00 0.00 N ATOM 1656 CA ASN A 105 5.044 5.826 -4.269 1.00 0.00 C ATOM 1657 C ASN A 105 4.971 4.353 -3.885 1.00 0.00 C ATOM 1658 O ASN A 105 5.993 3.727 -3.602 1.00 0.00 O ATOM 1659 CB ASN A 105 4.650 6.694 -3.073 1.00 0.00 C ATOM 1660 CG ASN A 105 5.107 8.133 -3.227 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.291 8.438 -3.092 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.165 9.025 -3.514 1.00 0.00 N ATOM 0 H ASN A 105 3.239 6.420 -5.164 1.00 0.00 H new ATOM 0 HA ASN A 105 6.070 6.056 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.567 6.671 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.082 6.274 -2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.412 10.008 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.195 8.727 -3.617 1.00 0.00 H new ATOM 1669 N ILE A 106 3.762 3.802 -3.871 1.00 0.00 N ATOM 1670 CA ILE A 106 3.575 2.402 -3.516 1.00 0.00 C ATOM 1671 C ILE A 106 4.313 1.490 -4.493 1.00 0.00 C ATOM 1672 O ILE A 106 5.078 0.620 -4.079 1.00 0.00 O ATOM 1673 CB ILE A 106 2.079 2.021 -3.450 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.894 0.680 -2.732 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.465 1.971 -4.842 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.651 0.569 -1.426 1.00 0.00 C ATOM 0 H ILE A 106 2.902 4.301 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 106 3.997 2.263 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 106 1.561 2.792 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.832 0.527 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.216 -0.123 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.412 1.701 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.555 2.949 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.988 1.228 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.467 -0.409 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.718 0.688 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.313 1.348 -0.742 1.00 0.00 H new ATOM 1688 N CYS A 107 4.110 1.711 -5.792 1.00 0.00 N ATOM 1689 CA CYS A 107 4.795 0.920 -6.809 1.00 0.00 C ATOM 1690 C CYS A 107 6.298 1.031 -6.598 1.00 0.00 C ATOM 1691 O CYS A 107 7.043 0.062 -6.751 1.00 0.00 O ATOM 1692 CB CYS A 107 4.421 1.410 -8.210 1.00 0.00 C ATOM 1693 SG CYS A 107 4.817 3.148 -8.511 1.00 0.00 S ATOM 0 H CYS A 107 3.482 2.425 -6.161 1.00 0.00 H new ATOM 0 HA CYS A 107 4.490 -0.123 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.938 0.797 -8.948 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.352 1.260 -8.363 1.00 0.00 H new ATOM 0 HG CYS A 107 3.719 3.842 -8.556 1.00 0.00 H new ATOM 1699 N GLN A 108 6.721 2.230 -6.215 1.00 0.00 N ATOM 1700 CA GLN A 108 8.121 2.509 -5.939 1.00 0.00 C ATOM 1701 C GLN A 108 8.537 1.805 -4.649 1.00 0.00 C ATOM 1702 O GLN A 108 9.673 1.353 -4.511 1.00 0.00 O ATOM 1703 CB GLN A 108 8.326 4.032 -5.846 1.00 0.00 C ATOM 1704 CG GLN A 108 9.452 4.484 -4.927 1.00 0.00 C ATOM 1705 CD GLN A 108 10.713 4.849 -5.687 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.531 3.849 -5.991 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.949 6.018 -5.997 1.00 0.00 N flip ATOM 0 H GLN A 108 6.104 3.032 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 108 8.749 2.130 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.520 4.417 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.396 4.487 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.119 5.345 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.678 3.689 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.292 6.756 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.801 6.248 -6.508 1.00 0.00 H new ATOM 1716 N PHE A 109 7.596 1.703 -3.715 1.00 0.00 N ATOM 1717 CA PHE A 109 7.839 1.043 -2.440 1.00 0.00 C ATOM 1718 C PHE A 109 7.918 -0.465 -2.633 1.00 0.00 C ATOM 1719 O PHE A 109 8.810 -1.127 -2.105 1.00 0.00 O ATOM 1720 CB PHE A 109 6.718 1.375 -1.456 1.00 0.00 C ATOM 1721 CG PHE A 109 6.894 0.738 -0.110 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.864 1.198 0.762 1.00 0.00 C ATOM 1723 CD2 PHE A 109 6.087 -0.318 0.285 1.00 0.00 C ATOM 1724 CE1 PHE A 109 8.029 0.620 2.007 1.00 0.00 C ATOM 1725 CE2 PHE A 109 6.246 -0.901 1.528 1.00 0.00 C ATOM 1726 CZ PHE A 109 7.219 -0.431 2.390 1.00 0.00 C ATOM 0 H PHE A 109 6.651 2.073 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 109 8.787 1.401 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.662 2.457 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.767 1.053 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.501 2.019 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.326 -0.689 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.790 0.990 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.611 -1.722 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 109 7.346 -0.885 3.362 1.00 0.00 H new ATOM 1736 N LEU A 110 6.972 -0.997 -3.403 1.00 0.00 N ATOM 1737 CA LEU A 110 6.915 -2.425 -3.682 1.00 0.00 C ATOM 1738 C LEU A 110 8.237 -2.915 -4.258 1.00 0.00 C ATOM 1739 O LEU A 110 8.636 -4.058 -4.043 1.00 0.00 O ATOM 1740 CB LEU A 110 5.778 -2.723 -4.662 1.00 0.00 C ATOM 1741 CG LEU A 110 4.419 -3.028 -4.023 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.128 -2.066 -2.880 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.317 -2.962 -5.068 1.00 0.00 C ATOM 0 H LEU A 110 6.231 -0.454 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 110 6.729 -2.951 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.663 -1.868 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.068 -3.573 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 110 4.453 -4.038 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.158 -2.303 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.902 -2.161 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.115 -1.044 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.358 -3.181 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.288 -1.963 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.514 -3.694 -5.851 1.00 0.00 H new ATOM 1755 N VAL A 111 8.911 -2.039 -4.990 1.00 0.00 N ATOM 1756 CA VAL A 111 10.188 -2.380 -5.597 1.00 0.00 C ATOM 1757 C VAL A 111 11.347 -1.961 -4.698 1.00 0.00 C ATOM 1758 O VAL A 111 12.408 -2.586 -4.705 1.00 0.00 O ATOM 1759 CB VAL A 111 10.343 -1.713 -6.978 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.688 -2.062 -7.599 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.202 -2.120 -7.898 1.00 0.00 C ATOM 0 H VAL A 111 8.594 -1.088 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 111 10.208 -3.462 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 111 10.305 -0.632 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.775 -1.580 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.490 -1.713 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.763 -3.143 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.328 -1.640 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.206 -3.202 -8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.253 -1.810 -7.460 1.00 0.00 H new ATOM 1771 N GLU A 112 11.139 -0.901 -3.925 1.00 0.00 N ATOM 1772 CA GLU A 112 12.167 -0.401 -3.020 1.00 0.00 C ATOM 1773 C GLU A 112 12.408 -1.380 -1.876 1.00 0.00 C ATOM 1774 O GLU A 112 13.539 -1.555 -1.425 1.00 0.00 O ATOM 1775 CB GLU A 112 11.763 0.963 -2.457 1.00 0.00 C ATOM 1776 CG GLU A 112 12.046 2.120 -3.400 1.00 0.00 C ATOM 1777 CD GLU A 112 13.299 2.887 -3.023 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.626 2.933 -1.818 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.950 3.443 -3.932 1.00 0.00 O ATOM 0 H GLU A 112 10.268 -0.371 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 112 13.092 -0.295 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.699 0.949 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.294 1.131 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.150 1.739 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.194 2.800 -3.400 1.00 0.00 H new ATOM 1786 N ILE A 113 11.335 -2.011 -1.408 1.00 0.00 N ATOM 1787 CA ILE A 113 11.431 -2.969 -0.313 1.00 0.00 C ATOM 1788 C ILE A 113 11.503 -4.400 -0.835 1.00 0.00 C ATOM 1789 O ILE A 113 12.106 -5.273 -0.212 1.00 0.00 O ATOM 1790 CB ILE A 113 10.232 -2.839 0.655 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.967 -3.456 0.045 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.993 -1.379 1.004 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.768 -3.415 0.967 1.00 0.00 C ATOM 0 H ILE A 113 10.391 -1.876 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 113 12.350 -2.741 0.228 1.00 0.00 H new ATOM 0 HB ILE A 113 10.470 -3.384 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.724 -2.928 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.172 -4.492 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.146 -1.302 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.883 -0.969 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.779 -0.818 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.911 -3.868 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.992 -3.967 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.537 -2.380 1.217 1.00 0.00 H new ATOM 1805 N GLY A 114 10.863 -4.634 -1.974 1.00 0.00 N ATOM 1806 CA GLY A 114 10.843 -5.960 -2.557 1.00 0.00 C ATOM 1807 C GLY A 114 9.511 -6.646 -2.338 1.00 0.00 C ATOM 1808 O GLY A 114 9.436 -7.872 -2.257 1.00 0.00 O ATOM 0 H GLY A 114 10.356 -3.926 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.046 -5.891 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.639 -6.562 -2.120 1.00 0.00 H new ATOM 1812 N LEU A 115 8.455 -5.843 -2.237 1.00 0.00 N ATOM 1813 CA LEU A 115 7.110 -6.361 -2.022 1.00 0.00 C ATOM 1814 C LEU A 115 6.567 -6.994 -3.298 1.00 0.00 C ATOM 1815 O LEU A 115 6.460 -8.216 -3.397 1.00 0.00 O ATOM 1816 CB LEU A 115 6.183 -5.239 -1.551 1.00 0.00 C ATOM 1817 CG LEU A 115 5.017 -5.685 -0.670 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.526 -6.374 0.588 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.135 -4.499 -0.314 1.00 0.00 C ATOM 0 H LEU A 115 8.507 -4.826 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 115 7.155 -7.129 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.775 -4.508 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.781 -4.729 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 115 4.418 -6.402 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.680 -6.684 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.113 -7.250 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.151 -5.683 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.310 -4.835 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.723 -3.757 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.739 -4.053 -1.226 1.00 0.00 H new ATOM 1831 N ALA A 116 6.237 -6.159 -4.276 1.00 0.00 N ATOM 1832 CA ALA A 116 5.720 -6.644 -5.547 1.00 0.00 C ATOM 1833 C ALA A 116 6.864 -6.892 -6.523 1.00 0.00 C ATOM 1834 O ALA A 116 8.033 -6.869 -6.137 1.00 0.00 O ATOM 1835 CB ALA A 116 4.730 -5.649 -6.134 1.00 0.00 C ATOM 0 H ALA A 116 6.319 -5.144 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 116 5.200 -7.586 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.354 -6.028 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.898 -5.512 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.228 -4.693 -6.296 1.00 0.00 H new ATOM 1841 N LYS A 117 6.529 -7.113 -7.789 1.00 0.00 N ATOM 1842 CA LYS A 117 7.542 -7.348 -8.810 1.00 0.00 C ATOM 1843 C LYS A 117 7.533 -6.219 -9.832 1.00 0.00 C ATOM 1844 O LYS A 117 6.484 -5.646 -10.127 1.00 0.00 O ATOM 1845 CB LYS A 117 7.304 -8.688 -9.503 1.00 0.00 C ATOM 1846 CG LYS A 117 8.360 -9.734 -9.183 1.00 0.00 C ATOM 1847 CD LYS A 117 8.379 -10.072 -7.701 1.00 0.00 C ATOM 1848 CE LYS A 117 9.505 -9.349 -6.978 1.00 0.00 C ATOM 1849 NZ LYS A 117 10.565 -10.290 -6.520 1.00 0.00 N ATOM 0 H LYS A 117 5.568 -7.134 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 117 8.518 -7.377 -8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.326 -9.070 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.276 -8.530 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.165 -10.638 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.341 -9.367 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 117 7.424 -9.800 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.496 -11.148 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.943 -8.604 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.100 -8.813 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.314 -9.758 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.153 -10.986 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.970 -10.784 -7.341 1.00 0.00 H new ATOM 1863 N ASP A 118 8.705 -5.900 -10.371 1.00 0.00 N ATOM 1864 CA ASP A 118 8.813 -4.835 -11.361 1.00 0.00 C ATOM 1865 C ASP A 118 7.927 -5.135 -12.562 1.00 0.00 C ATOM 1866 O ASP A 118 7.385 -4.227 -13.192 1.00 0.00 O ATOM 1867 CB ASP A 118 10.263 -4.653 -11.811 1.00 0.00 C ATOM 1868 CG ASP A 118 11.243 -4.699 -10.653 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.590 -5.815 -10.213 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.662 -3.618 -10.188 1.00 0.00 O ATOM 0 H ASP A 118 9.586 -6.359 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 118 8.478 -3.907 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.517 -5.433 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.362 -3.699 -12.328 1.00 0.00 H new ATOM 1875 N ASP A 119 7.773 -6.419 -12.863 1.00 0.00 N ATOM 1876 CA ASP A 119 6.938 -6.847 -13.976 1.00 0.00 C ATOM 1877 C ASP A 119 5.467 -6.809 -13.575 1.00 0.00 C ATOM 1878 O ASP A 119 4.582 -6.723 -14.426 1.00 0.00 O ATOM 1879 CB ASP A 119 7.325 -8.259 -14.421 1.00 0.00 C ATOM 1880 CG ASP A 119 7.174 -8.456 -15.917 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.445 -7.664 -16.549 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.787 -9.401 -16.456 1.00 0.00 O ATOM 0 H ASP A 119 8.216 -7.182 -12.351 1.00 0.00 H new ATOM 0 HA ASP A 119 7.094 -6.163 -14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.358 -8.457 -14.134 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.703 -8.985 -13.897 1.00 0.00 H new ATOM 1887 N GLN A 120 5.216 -6.870 -12.269 1.00 0.00 N ATOM 1888 CA GLN A 120 3.858 -6.838 -11.747 1.00 0.00 C ATOM 1889 C GLN A 120 3.399 -5.406 -11.479 1.00 0.00 C ATOM 1890 O GLN A 120 2.233 -5.170 -11.166 1.00 0.00 O ATOM 1891 CB GLN A 120 3.765 -7.656 -10.460 1.00 0.00 C ATOM 1892 CG GLN A 120 4.141 -9.119 -10.634 1.00 0.00 C ATOM 1893 CD GLN A 120 3.742 -9.974 -9.444 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.454 -11.163 -9.591 1.00 0.00 O ATOM 1895 NE2 GLN A 120 3.724 -9.375 -8.256 1.00 0.00 N ATOM 0 H GLN A 120 5.940 -6.942 -11.554 1.00 0.00 H new ATOM 0 HA GLN A 120 3.203 -7.273 -12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.417 -7.210 -9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 120 2.747 -7.595 -10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.662 -9.508 -11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.217 -9.197 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.970 -8.388 -8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.465 -9.903 -7.423 1.00 0.00 H new ATOM 1904 N LEU A 121 4.321 -4.454 -11.600 1.00 0.00 N ATOM 1905 CA LEU A 121 4.007 -3.047 -11.368 1.00 0.00 C ATOM 1906 C LEU A 121 2.825 -2.602 -12.223 1.00 0.00 C ATOM 1907 O LEU A 121 3.000 -2.133 -13.347 1.00 0.00 O ATOM 1908 CB LEU A 121 5.226 -2.172 -11.673 1.00 0.00 C ATOM 1909 CG LEU A 121 6.329 -2.201 -10.612 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.618 -1.609 -11.169 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.890 -1.449 -9.362 1.00 0.00 C ATOM 0 H LEU A 121 5.292 -4.632 -11.857 1.00 0.00 H new ATOM 0 HA LEU A 121 3.737 -2.932 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.651 -2.488 -12.625 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.892 -1.142 -11.799 1.00 0.00 H new ATOM 0 HG LEU A 121 6.517 -3.239 -10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.392 -1.637 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.942 -2.190 -12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.443 -0.576 -11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.687 -1.481 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.674 -0.412 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.994 -1.916 -8.953 1.00 0.00 H new ATOM 1923 N LYS A 122 1.621 -2.755 -11.684 1.00 0.00 N ATOM 1924 CA LYS A 122 0.410 -2.370 -12.398 1.00 0.00 C ATOM 1925 C LYS A 122 -0.249 -1.163 -11.739 1.00 0.00 C ATOM 1926 O LYS A 122 -1.158 -1.309 -10.921 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.572 -3.542 -12.449 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.464 -4.363 -13.723 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.940 -3.577 -14.935 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.109 -3.897 -16.167 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.794 -3.482 -17.422 1.00 0.00 N ATOM 0 H LYS A 122 1.458 -3.143 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 122 0.689 -2.097 -13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.397 -4.191 -11.591 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.588 -3.159 -12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.571 -4.671 -13.872 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.056 -5.272 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.987 -3.807 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.883 -2.509 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.855 -3.393 -16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.093 -4.968 -16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.195 -3.718 -18.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.702 -3.982 -17.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.964 -2.456 -17.402 1.00 0.00 H new ATOM 1945 N VAL A 123 0.216 0.029 -12.098 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.327 1.260 -11.536 1.00 0.00 C ATOM 1947 C VAL A 123 -1.415 1.847 -12.431 1.00 0.00 C ATOM 1948 O VAL A 123 -1.187 2.111 -13.611 1.00 0.00 O ATOM 1949 CB VAL A 123 0.776 2.317 -11.324 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.415 2.705 -12.650 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.216 3.540 -10.616 1.00 0.00 C ATOM 0 H VAL A 123 0.966 0.169 -12.775 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.761 0.999 -10.571 1.00 0.00 H new ATOM 0 HB VAL A 123 1.549 1.881 -10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.190 3.452 -12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.858 1.823 -13.112 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.655 3.119 -13.313 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.009 4.274 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.580 3.977 -11.219 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.183 3.247 -9.645 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.600 2.050 -11.859 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.720 2.606 -12.607 1.00 0.00 C ATOM 1963 C HIS A 124 -4.337 3.791 -11.869 1.00 0.00 C ATOM 1964 O HIS A 124 -5.414 3.679 -11.285 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.782 1.533 -12.846 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.235 0.277 -13.450 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.392 -0.050 -14.780 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.523 -0.733 -12.896 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.803 -1.208 -15.019 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.268 -1.642 -13.893 1.00 0.00 N ATOM 0 H HIS A 124 -2.807 1.838 -10.883 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.342 2.957 -13.567 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.263 1.292 -11.898 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.554 1.936 -13.502 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.886 0.514 -15.472 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.214 -0.809 -11.864 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.766 -1.713 -15.973 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.650 4.928 -11.905 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.150 6.117 -11.241 1.00 0.00 C ATOM 1981 C GLY A 125 -5.518 6.527 -11.746 1.00 0.00 C ATOM 1982 O GLY A 125 -5.693 6.802 -12.934 1.00 0.00 O ATOM 0 H GLY A 125 -2.756 5.047 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.201 5.936 -10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.448 6.937 -11.393 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.495 6.566 -10.844 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.860 6.940 -11.203 1.00 0.00 C ATOM 1988 C PHE A 126 -7.883 8.251 -11.990 1.00 0.00 C ATOM 1989 O PHE A 126 -6.978 9.085 -11.775 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.728 7.053 -9.942 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.713 8.414 -9.302 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.523 8.985 -8.880 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.891 9.123 -9.125 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.507 10.236 -8.295 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.882 10.375 -8.540 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.689 10.932 -8.125 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.806 8.432 -12.812 1.00 0.00 O ATOM 0 H PHE A 126 -6.366 6.343 -9.857 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.270 6.159 -11.843 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.756 6.796 -10.198 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.387 6.318 -9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.597 8.445 -9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.827 8.692 -9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.572 10.670 -7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.807 10.917 -8.408 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.679 11.911 -7.668 1.00 0.00 H new