USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 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 -134:sc= -0.198 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.47 F(o=-3.7!,f=-2.7) USER MOD Set 2.1: A 50 GLN : amide:sc= -1.4 X(o=-2.6,f=-2.4!) USER MOD Set 2.2: A 56 THR OG1 : rot 170:sc= -1.18 USER MOD Set 3.1: A 49 GLN :FLIP amide:sc= 0.0428 X(o=-9.7,f=-9.5) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.00825 USER MOD Set 3.3: A 97 GLN :FLIP amide:sc= -9.55! C(o=-11!,f=-9.5!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.59! C(o=-14!,f=-14!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.3! C(o=-14!,f=-18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.44) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.121) USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.398 USER MOD Single : A 61 GLN :FLIP amide:sc= -3.94! C(o=-4.5!,f=-3.9!) USER MOD Single : A 67 TYR OH : rot -136:sc= 1.09 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 151:sc= 1.25 (180deg=-0.432) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00978) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.09 (180deg=0.687) USER MOD Single : A 83 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.06) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 89 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-4.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.33) USER MOD Single : A 107 CYS SG : rot -150:sc= -1.48 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -4.76! F(o=-7.4,f=-4.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.958 -12.469 -13.122 1.00 0.00 N ATOM 607 CA ASP A 42 0.479 -12.119 -11.789 1.00 0.00 C ATOM 608 C ASP A 42 1.002 -10.752 -11.356 1.00 0.00 C ATOM 609 O ASP A 42 1.738 -10.637 -10.375 1.00 0.00 O ATOM 610 CB ASP A 42 0.898 -13.192 -10.779 1.00 0.00 C ATOM 611 CG ASP A 42 -0.225 -13.562 -9.831 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.394 -13.572 -10.270 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.064 -13.842 -8.649 1.00 0.00 O ATOM 0 HA ASP A 42 -0.609 -12.068 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.226 -14.083 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.752 -12.833 -10.204 1.00 0.00 H new ATOM 618 N TYR A 43 0.613 -9.718 -12.092 1.00 0.00 N ATOM 619 CA TYR A 43 1.041 -8.359 -11.781 1.00 0.00 C ATOM 620 C TYR A 43 0.385 -7.867 -10.495 1.00 0.00 C ATOM 621 O TYR A 43 -0.492 -8.529 -9.942 1.00 0.00 O ATOM 622 CB TYR A 43 0.690 -7.412 -12.932 1.00 0.00 C ATOM 623 CG TYR A 43 1.294 -7.803 -14.267 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.476 -8.533 -14.342 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.679 -7.431 -15.455 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.023 -8.879 -15.562 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.221 -7.775 -16.679 1.00 0.00 C ATOM 628 CZ TYR A 43 2.392 -8.497 -16.727 1.00 0.00 C ATOM 629 OH TYR A 43 2.935 -8.841 -17.943 1.00 0.00 O ATOM 0 H TYR A 43 0.004 -9.794 -12.906 1.00 0.00 H new ATOM 0 HA TYR A 43 2.122 -8.369 -11.643 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.394 -7.370 -13.035 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.025 -6.407 -12.675 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.974 -8.834 -13.432 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.239 -6.863 -15.422 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.941 -9.446 -15.603 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.728 -7.479 -17.593 1.00 0.00 H new ATOM 0 HH TYR A 43 2.367 -8.497 -18.664 1.00 0.00 H new ATOM 639 N ILE A 44 0.810 -6.696 -10.027 1.00 0.00 N ATOM 640 CA ILE A 44 0.252 -6.114 -8.812 1.00 0.00 C ATOM 641 C ILE A 44 -0.528 -4.844 -9.136 1.00 0.00 C ATOM 642 O ILE A 44 0.045 -3.763 -9.272 1.00 0.00 O ATOM 643 CB ILE A 44 1.348 -5.797 -7.771 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.113 -7.065 -7.387 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.735 -5.159 -6.532 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.221 -8.248 -7.081 1.00 0.00 C ATOM 0 H ILE A 44 1.537 -6.134 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.422 -6.855 -8.381 1.00 0.00 H new ATOM 0 HB ILE A 44 2.049 -5.093 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.787 -7.331 -8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.733 -6.854 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.520 -4.942 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.232 -4.233 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.013 -5.845 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.836 -9.109 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.564 -8.002 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.620 -8.487 -7.958 1.00 0.00 H new ATOM 658 N HIS A 45 -1.841 -4.993 -9.269 1.00 0.00 N ATOM 659 CA HIS A 45 -2.721 -3.876 -9.594 1.00 0.00 C ATOM 660 C HIS A 45 -2.802 -2.864 -8.452 1.00 0.00 C ATOM 661 O HIS A 45 -3.120 -3.214 -7.318 1.00 0.00 O ATOM 662 CB HIS A 45 -4.122 -4.402 -9.914 1.00 0.00 C ATOM 663 CG HIS A 45 -4.583 -4.098 -11.305 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.216 -4.851 -12.401 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.396 -3.123 -11.776 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.783 -4.352 -13.485 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.505 -3.303 -13.132 1.00 0.00 N ATOM 0 H HIS A 45 -2.323 -5.885 -9.156 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.304 -3.366 -10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.136 -5.482 -9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.831 -3.973 -9.205 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.603 -5.666 -12.378 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.871 -2.348 -11.193 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.675 -4.736 -14.489 1.00 0.00 H new ATOM 676 N ILE A 46 -2.526 -1.606 -8.769 1.00 0.00 N ATOM 677 CA ILE A 46 -2.589 -0.531 -7.776 1.00 0.00 C ATOM 678 C ILE A 46 -4.027 -0.002 -7.647 1.00 0.00 C ATOM 679 O ILE A 46 -4.837 -0.595 -6.934 1.00 0.00 O ATOM 680 CB ILE A 46 -1.620 0.619 -8.130 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.179 0.098 -8.166 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.756 1.767 -7.138 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.379 -0.254 -6.803 1.00 0.00 C ATOM 0 H ILE A 46 -2.256 -1.301 -9.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.280 -0.944 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.878 1.000 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.138 -0.785 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.459 0.853 -8.625 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.064 2.565 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.777 2.149 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.525 1.410 -6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.402 -0.615 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.372 0.631 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.234 -1.032 -6.349 1.00 0.00 H new ATOM 695 N ARG A 47 -4.352 1.099 -8.348 1.00 0.00 N ATOM 696 CA ARG A 47 -5.699 1.680 -8.322 1.00 0.00 C ATOM 697 C ARG A 47 -5.873 2.672 -7.176 1.00 0.00 C ATOM 698 O ARG A 47 -5.644 2.349 -6.011 1.00 0.00 O ATOM 699 CB ARG A 47 -6.771 0.588 -8.233 1.00 0.00 C ATOM 700 CG ARG A 47 -7.990 0.860 -9.100 1.00 0.00 C ATOM 701 CD ARG A 47 -7.889 0.151 -10.440 1.00 0.00 C ATOM 702 NE ARG A 47 -9.198 -0.253 -10.948 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.382 -0.884 -12.106 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.344 -1.186 -12.877 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.606 -1.216 -12.494 1.00 0.00 N ATOM 0 H ARG A 47 -3.694 1.604 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.823 2.223 -9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.332 -0.365 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.089 0.486 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.889 0.530 -8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.091 1.933 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.408 0.810 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.253 -0.728 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.019 -0.039 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.400 -0.935 -12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.490 -1.669 -13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.407 -0.988 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.746 -1.699 -13.381 1.00 0.00 H new ATOM 719 N ILE A 48 -6.297 3.883 -7.530 1.00 0.00 N ATOM 720 CA ILE A 48 -6.528 4.942 -6.554 1.00 0.00 C ATOM 721 C ILE A 48 -8.028 5.204 -6.399 1.00 0.00 C ATOM 722 O ILE A 48 -8.814 4.901 -7.296 1.00 0.00 O ATOM 723 CB ILE A 48 -5.811 6.254 -6.970 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.370 6.263 -6.459 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.552 7.482 -6.459 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.608 7.510 -6.848 1.00 0.00 C ATOM 0 H ILE A 48 -6.489 4.155 -8.494 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.118 4.611 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.804 6.292 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.376 6.173 -5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.848 5.389 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.021 8.382 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.561 7.496 -6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.605 7.449 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.593 7.454 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.572 7.591 -7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.109 8.386 -6.436 1.00 0.00 H new ATOM 738 N GLN A 49 -8.416 5.776 -5.262 1.00 0.00 N ATOM 739 CA GLN A 49 -9.819 6.084 -5.005 1.00 0.00 C ATOM 740 C GLN A 49 -9.962 7.415 -4.268 1.00 0.00 C ATOM 741 O GLN A 49 -9.919 7.463 -3.039 1.00 0.00 O ATOM 742 CB GLN A 49 -10.474 4.963 -4.195 1.00 0.00 C ATOM 743 CG GLN A 49 -9.844 4.745 -2.830 1.00 0.00 C ATOM 744 CD GLN A 49 -9.871 3.291 -2.401 1.00 0.00 C ATOM 745 OE1 GLN A 49 -10.997 2.858 -1.846 1.00 0.00 O flip ATOM 746 NE2 GLN A 49 -8.892 2.564 -2.569 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.781 6.035 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.325 6.168 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.532 5.192 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.417 4.035 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.812 5.095 -2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.371 5.348 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.047 2.938 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.926 1.587 -2.277 1.00 0.00 H new ATOM 755 N GLN A 50 -10.133 8.494 -5.029 1.00 0.00 N ATOM 756 CA GLN A 50 -10.285 9.824 -4.446 1.00 0.00 C ATOM 757 C GLN A 50 -11.760 10.184 -4.296 1.00 0.00 C ATOM 758 O GLN A 50 -12.402 10.627 -5.248 1.00 0.00 O ATOM 759 CB GLN A 50 -9.572 10.874 -5.306 1.00 0.00 C ATOM 760 CG GLN A 50 -8.695 11.826 -4.503 1.00 0.00 C ATOM 761 CD GLN A 50 -7.744 12.624 -5.372 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.903 12.692 -6.590 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.747 13.237 -4.744 1.00 0.00 N ATOM 0 H GLN A 50 -10.170 8.473 -6.048 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.828 9.813 -3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.957 10.366 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.318 11.453 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.330 12.512 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.121 11.255 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.654 13.153 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.075 13.792 -5.274 1.00 0.00 H new ATOM 772 N ARG A 51 -12.291 9.994 -3.092 1.00 0.00 N ATOM 773 CA ARG A 51 -13.691 10.301 -2.813 1.00 0.00 C ATOM 774 C ARG A 51 -13.993 11.759 -3.145 1.00 0.00 C ATOM 775 O ARG A 51 -14.842 12.055 -3.985 1.00 0.00 O ATOM 776 CB ARG A 51 -14.016 10.017 -1.346 1.00 0.00 C ATOM 777 CG ARG A 51 -15.079 8.946 -1.155 1.00 0.00 C ATOM 778 CD ARG A 51 -14.684 7.950 -0.074 1.00 0.00 C ATOM 779 NE ARG A 51 -15.771 7.708 0.871 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.807 6.679 1.715 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.818 5.793 1.732 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.832 6.537 2.544 1.00 0.00 N ATOM 0 H ARG A 51 -11.773 9.629 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.315 9.664 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.105 9.708 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.352 10.939 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.026 9.416 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.238 8.419 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.391 7.008 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.813 8.325 0.464 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.549 8.367 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.027 5.899 1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.849 5.006 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.593 7.216 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.860 5.749 3.191 1.00 0.00 H new ATOM 796 N ASN A 52 -13.281 12.663 -2.483 1.00 0.00 N ATOM 797 CA ASN A 52 -13.454 14.091 -2.707 1.00 0.00 C ATOM 798 C ASN A 52 -12.327 14.622 -3.593 1.00 0.00 C ATOM 799 O ASN A 52 -11.775 13.884 -4.408 1.00 0.00 O ATOM 800 CB ASN A 52 -13.485 14.832 -1.368 1.00 0.00 C ATOM 801 CG ASN A 52 -14.462 15.992 -1.372 1.00 0.00 C ATOM 802 OD1 ASN A 52 -15.626 15.837 -1.740 1.00 0.00 O ATOM 803 ND2 ASN A 52 -13.992 17.164 -0.962 1.00 0.00 N ATOM 0 H ASN A 52 -12.576 12.430 -1.784 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.402 14.261 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.757 14.134 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.486 15.203 -1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.603 17.980 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.020 17.248 -0.665 1.00 0.00 H new ATOM 810 N GLY A 53 -11.980 15.897 -3.431 1.00 0.00 N ATOM 811 CA GLY A 53 -10.914 16.476 -4.226 1.00 0.00 C ATOM 812 C GLY A 53 -9.557 16.342 -3.564 1.00 0.00 C ATOM 813 O GLY A 53 -8.717 17.234 -3.676 1.00 0.00 O ATOM 0 H GLY A 53 -12.417 16.535 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.888 15.991 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.127 17.531 -4.400 1.00 0.00 H new ATOM 817 N ARG A 54 -9.340 15.223 -2.873 1.00 0.00 N ATOM 818 CA ARG A 54 -8.071 14.976 -2.194 1.00 0.00 C ATOM 819 C ARG A 54 -8.115 13.690 -1.372 1.00 0.00 C ATOM 820 O ARG A 54 -7.081 13.064 -1.140 1.00 0.00 O ATOM 821 CB ARG A 54 -7.707 16.155 -1.288 1.00 0.00 C ATOM 822 CG ARG A 54 -8.839 16.584 -0.368 1.00 0.00 C ATOM 823 CD ARG A 54 -8.853 18.090 -0.162 1.00 0.00 C ATOM 824 NE ARG A 54 -9.021 18.448 1.244 1.00 0.00 N ATOM 825 CZ ARG A 54 -8.040 18.400 2.143 1.00 0.00 C ATOM 826 NH1 ARG A 54 -6.824 18.007 1.787 1.00 0.00 N ATOM 827 NH2 ARG A 54 -8.276 18.747 3.401 1.00 0.00 N ATOM 0 H ARG A 54 -10.026 14.475 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.307 14.864 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.841 15.885 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.412 17.002 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.792 16.265 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.734 16.085 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.922 18.516 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.661 18.529 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.943 18.752 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.637 17.740 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.076 17.972 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.209 19.051 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.525 18.710 4.090 1.00 0.00 H new ATOM 841 N LYS A 55 -9.309 13.298 -0.930 1.00 0.00 N ATOM 842 CA LYS A 55 -9.471 12.084 -0.137 1.00 0.00 C ATOM 843 C LYS A 55 -9.127 10.849 -0.968 1.00 0.00 C ATOM 844 O LYS A 55 -9.996 10.038 -1.287 1.00 0.00 O ATOM 845 CB LYS A 55 -10.903 11.982 0.392 1.00 0.00 C ATOM 846 CG LYS A 55 -11.031 11.153 1.661 1.00 0.00 C ATOM 847 CD LYS A 55 -10.187 11.721 2.795 1.00 0.00 C ATOM 848 CE LYS A 55 -10.492 13.190 3.043 1.00 0.00 C ATOM 849 NZ LYS A 55 -11.944 13.426 3.274 1.00 0.00 N ATOM 0 H LYS A 55 -10.177 13.804 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.786 12.133 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.281 12.986 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.536 11.546 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.076 11.118 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.724 10.127 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.372 11.152 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.130 11.604 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.926 13.537 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.160 13.779 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.093 14.411 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.469 13.247 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.286 12.784 4.018 1.00 0.00 H new ATOM 863 N THR A 56 -7.852 10.727 -1.321 1.00 0.00 N ATOM 864 CA THR A 56 -7.371 9.611 -2.125 1.00 0.00 C ATOM 865 C THR A 56 -6.990 8.422 -1.251 1.00 0.00 C ATOM 866 O THR A 56 -6.579 8.588 -0.102 1.00 0.00 O ATOM 867 CB THR A 56 -6.166 10.055 -2.958 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.054 11.468 -2.967 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.224 9.593 -4.396 1.00 0.00 C ATOM 0 H THR A 56 -7.127 11.395 -1.059 1.00 0.00 H new ATOM 0 HA THR A 56 -8.177 9.297 -2.788 1.00 0.00 H new ATOM 0 HB THR A 56 -5.303 9.591 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.196 11.726 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.339 9.943 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.258 8.504 -4.427 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.117 9.998 -4.873 1.00 0.00 H new ATOM 877 N LEU A 57 -7.125 7.221 -1.806 1.00 0.00 N ATOM 878 CA LEU A 57 -6.791 6.002 -1.082 1.00 0.00 C ATOM 879 C LEU A 57 -6.197 4.954 -2.024 1.00 0.00 C ATOM 880 O LEU A 57 -6.892 4.044 -2.473 1.00 0.00 O ATOM 881 CB LEU A 57 -8.031 5.440 -0.384 1.00 0.00 C ATOM 882 CG LEU A 57 -8.086 5.679 1.126 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.495 5.451 1.657 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.090 4.779 1.844 1.00 0.00 C ATOM 0 H LEU A 57 -7.464 7.067 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.044 6.250 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.917 5.882 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.079 4.367 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.814 6.717 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.511 5.626 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.184 6.139 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.799 4.425 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.142 4.962 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.331 3.735 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.083 4.994 1.488 1.00 0.00 H new ATOM 896 N THR A 58 -4.907 5.092 -2.321 1.00 0.00 N ATOM 897 CA THR A 58 -4.221 4.160 -3.212 1.00 0.00 C ATOM 898 C THR A 58 -4.214 2.749 -2.631 1.00 0.00 C ATOM 899 O THR A 58 -3.711 2.526 -1.533 1.00 0.00 O ATOM 900 CB THR A 58 -2.782 4.622 -3.456 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.752 5.954 -3.937 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.038 3.759 -4.451 1.00 0.00 C ATOM 0 H THR A 58 -4.316 5.840 -1.958 1.00 0.00 H new ATOM 0 HA THR A 58 -4.762 4.143 -4.158 1.00 0.00 H new ATOM 0 HB THR A 58 -2.288 4.543 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.927 6.573 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.025 4.141 -4.578 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.996 2.734 -4.083 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.556 3.780 -5.410 1.00 0.00 H new ATOM 910 N THR A 59 -4.773 1.796 -3.374 1.00 0.00 N ATOM 911 CA THR A 59 -4.821 0.411 -2.918 1.00 0.00 C ATOM 912 C THR A 59 -3.857 -0.466 -3.710 1.00 0.00 C ATOM 913 O THR A 59 -3.406 -0.093 -4.793 1.00 0.00 O ATOM 914 CB THR A 59 -6.242 -0.149 -3.032 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.018 0.626 -3.929 1.00 0.00 O ATOM 916 CG2 THR A 59 -6.975 -0.193 -1.710 1.00 0.00 C ATOM 0 H THR A 59 -5.196 1.957 -4.288 1.00 0.00 H new ATOM 0 HA THR A 59 -4.518 0.401 -1.871 1.00 0.00 H new ATOM 0 HB THR A 59 -6.121 -1.169 -3.396 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.921 0.251 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.975 -0.600 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.428 -0.826 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.051 0.815 -1.303 1.00 0.00 H new ATOM 924 N VAL A 60 -3.551 -1.638 -3.161 1.00 0.00 N ATOM 925 CA VAL A 60 -2.645 -2.577 -3.812 1.00 0.00 C ATOM 926 C VAL A 60 -3.267 -3.965 -3.907 1.00 0.00 C ATOM 927 O VAL A 60 -3.538 -4.606 -2.890 1.00 0.00 O ATOM 928 CB VAL A 60 -1.305 -2.682 -3.059 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.324 -3.562 -3.821 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.721 -1.299 -2.830 1.00 0.00 C ATOM 0 H VAL A 60 -3.918 -1.960 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.461 -2.192 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.489 -3.145 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.615 -3.621 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.743 -4.562 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.140 -3.133 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.226 -1.387 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.553 -0.812 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.416 -0.704 -2.238 1.00 0.00 H new ATOM 940 N GLN A 61 -3.482 -4.424 -5.134 1.00 0.00 N ATOM 941 CA GLN A 61 -4.063 -5.741 -5.368 1.00 0.00 C ATOM 942 C GLN A 61 -3.054 -6.652 -6.059 1.00 0.00 C ATOM 943 O GLN A 61 -2.279 -6.207 -6.905 1.00 0.00 O ATOM 944 CB GLN A 61 -5.342 -5.641 -6.214 1.00 0.00 C ATOM 945 CG GLN A 61 -5.794 -4.216 -6.499 1.00 0.00 C ATOM 946 CD GLN A 61 -7.250 -4.134 -6.919 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.716 -5.144 -7.646 1.00 0.00 O flip ATOM 948 NE2 GLN A 61 -7.946 -3.172 -6.596 1.00 0.00 N flip ATOM 0 H GLN A 61 -3.263 -3.903 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.325 -6.167 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.178 -6.154 -7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.146 -6.169 -5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.643 -3.607 -5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.169 -3.792 -7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.546 -2.418 -6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.922 -3.128 -6.888 1.00 0.00 H new ATOM 957 N GLY A 62 -3.065 -7.925 -5.686 1.00 0.00 N ATOM 958 CA GLY A 62 -2.141 -8.877 -6.272 1.00 0.00 C ATOM 959 C GLY A 62 -1.125 -9.371 -5.264 1.00 0.00 C ATOM 960 O GLY A 62 -0.642 -10.500 -5.354 1.00 0.00 O ATOM 0 H GLY A 62 -3.698 -8.316 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.698 -9.725 -6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.624 -8.412 -7.111 1.00 0.00 H new ATOM 964 N ILE A 63 -0.801 -8.515 -4.302 1.00 0.00 N ATOM 965 CA ILE A 63 0.164 -8.850 -3.264 1.00 0.00 C ATOM 966 C ILE A 63 -0.261 -10.104 -2.503 1.00 0.00 C ATOM 967 O ILE A 63 -1.451 -10.353 -2.309 1.00 0.00 O ATOM 968 CB ILE A 63 0.343 -7.668 -2.282 1.00 0.00 C ATOM 969 CG1 ILE A 63 0.983 -6.471 -2.997 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.179 -8.077 -1.078 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.095 -6.846 -3.953 1.00 0.00 C ATOM 0 H ILE A 63 -1.196 -7.578 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 63 1.119 -9.050 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.644 -7.375 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.210 -5.934 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.378 -5.783 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.288 -7.227 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.685 -8.894 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.164 -8.404 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.495 -5.945 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.889 -7.355 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.703 -7.509 -4.725 1.00 0.00 H new ATOM 983 N ALA A 64 0.724 -10.894 -2.085 1.00 0.00 N ATOM 984 CA ALA A 64 0.461 -12.127 -1.357 1.00 0.00 C ATOM 985 C ALA A 64 0.162 -11.851 0.111 1.00 0.00 C ATOM 986 O ALA A 64 0.864 -11.081 0.766 1.00 0.00 O ATOM 987 CB ALA A 64 1.644 -13.076 -1.489 1.00 0.00 C ATOM 0 H ALA A 64 1.713 -10.700 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.421 -12.596 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.436 -13.995 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.807 -13.310 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.537 -12.603 -1.080 1.00 0.00 H new ATOM 993 N ASP A 65 -0.882 -12.494 0.624 1.00 0.00 N ATOM 994 CA ASP A 65 -1.272 -12.325 2.018 1.00 0.00 C ATOM 995 C ASP A 65 -0.173 -12.822 2.954 1.00 0.00 C ATOM 996 O ASP A 65 -0.152 -12.479 4.137 1.00 0.00 O ATOM 997 CB ASP A 65 -2.575 -13.078 2.299 1.00 0.00 C ATOM 998 CG ASP A 65 -3.111 -12.806 3.691 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.824 -11.720 4.237 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.817 -13.680 4.235 1.00 0.00 O ATOM 0 H ASP A 65 -1.472 -13.136 0.095 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.427 -11.262 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.324 -12.790 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.406 -14.148 2.180 1.00 0.00 H new ATOM 1005 N ASP A 66 0.741 -13.627 2.418 1.00 0.00 N ATOM 1006 CA ASP A 66 1.842 -14.164 3.208 1.00 0.00 C ATOM 1007 C ASP A 66 2.814 -13.059 3.607 1.00 0.00 C ATOM 1008 O ASP A 66 3.518 -13.171 4.609 1.00 0.00 O ATOM 1009 CB ASP A 66 2.581 -15.250 2.423 1.00 0.00 C ATOM 1010 CG ASP A 66 3.110 -16.352 3.318 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.598 -16.496 4.449 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.036 -17.073 2.890 1.00 0.00 O ATOM 0 H ASP A 66 0.740 -13.921 1.441 1.00 0.00 H new ATOM 0 HA ASP A 66 1.425 -14.602 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.908 -15.680 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.410 -14.799 1.878 1.00 0.00 H new ATOM 1017 N TYR A 67 2.845 -11.989 2.814 1.00 0.00 N ATOM 1018 CA TYR A 67 3.728 -10.859 3.083 1.00 0.00 C ATOM 1019 C TYR A 67 3.606 -10.402 4.533 1.00 0.00 C ATOM 1020 O TYR A 67 2.600 -10.662 5.193 1.00 0.00 O ATOM 1021 CB TYR A 67 3.391 -9.693 2.149 1.00 0.00 C ATOM 1022 CG TYR A 67 3.795 -9.906 0.704 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.103 -11.169 0.209 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.859 -8.830 -0.170 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.466 -11.349 -1.113 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.218 -9.001 -1.493 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.521 -10.262 -1.960 1.00 0.00 C ATOM 1028 OH TYR A 67 4.880 -10.438 -3.277 1.00 0.00 O ATOM 0 H TYR A 67 2.268 -11.882 1.980 1.00 0.00 H new ATOM 0 HA TYR A 67 4.753 -11.184 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.317 -9.511 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.881 -8.793 2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.058 -12.023 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.624 -7.840 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.705 -12.336 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.261 -8.151 -2.158 1.00 0.00 H new ATOM 0 HH TYR A 67 5.507 -9.733 -3.542 1.00 0.00 H new ATOM 1038 N ASP A 68 4.631 -9.712 5.020 1.00 0.00 N ATOM 1039 CA ASP A 68 4.629 -9.212 6.389 1.00 0.00 C ATOM 1040 C ASP A 68 3.699 -8.012 6.516 1.00 0.00 C ATOM 1041 O ASP A 68 4.140 -6.867 6.456 1.00 0.00 O ATOM 1042 CB ASP A 68 6.047 -8.824 6.816 1.00 0.00 C ATOM 1043 CG ASP A 68 6.931 -10.032 7.055 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.557 -11.139 6.612 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.997 -9.871 7.684 1.00 0.00 O ATOM 0 H ASP A 68 5.472 -9.487 4.488 1.00 0.00 H new ATOM 0 HA ASP A 68 4.269 -10.005 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.496 -8.196 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.998 -8.227 7.727 1.00 0.00 H new ATOM 1050 N LYS A 69 2.405 -8.288 6.686 1.00 0.00 N ATOM 1051 CA LYS A 69 1.390 -7.240 6.815 1.00 0.00 C ATOM 1052 C LYS A 69 1.913 -6.040 7.600 1.00 0.00 C ATOM 1053 O LYS A 69 1.663 -4.890 7.236 1.00 0.00 O ATOM 1054 CB LYS A 69 0.138 -7.800 7.495 1.00 0.00 C ATOM 1055 CG LYS A 69 -1.161 -7.314 6.874 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.373 -7.882 7.596 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.446 -9.395 7.456 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.848 -9.891 7.527 1.00 0.00 N ATOM 0 H LYS A 69 2.033 -9.236 6.738 1.00 0.00 H new ATOM 0 HA LYS A 69 1.139 -6.899 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.167 -8.889 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.153 -7.523 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.195 -6.225 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.194 -7.604 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.327 -7.615 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.281 -7.434 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.003 -9.694 6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.855 -9.862 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.855 -10.926 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.263 -9.628 8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.406 -9.466 6.759 1.00 0.00 H new ATOM 1072 N LYS A 70 2.644 -6.314 8.674 1.00 0.00 N ATOM 1073 CA LYS A 70 3.206 -5.255 9.502 1.00 0.00 C ATOM 1074 C LYS A 70 4.259 -4.468 8.730 1.00 0.00 C ATOM 1075 O LYS A 70 4.061 -3.298 8.407 1.00 0.00 O ATOM 1076 CB LYS A 70 3.818 -5.844 10.776 1.00 0.00 C ATOM 1077 CG LYS A 70 2.955 -5.646 12.012 1.00 0.00 C ATOM 1078 CD LYS A 70 2.244 -6.930 12.409 1.00 0.00 C ATOM 1079 CE LYS A 70 1.459 -6.755 13.699 1.00 0.00 C ATOM 1080 NZ LYS A 70 0.418 -7.807 13.868 1.00 0.00 N ATOM 0 H LYS A 70 2.861 -7.259 8.991 1.00 0.00 H new ATOM 0 HA LYS A 70 2.401 -4.575 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.988 -6.911 10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.793 -5.387 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.576 -5.303 12.839 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.218 -4.865 11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.569 -7.236 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.975 -7.729 12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.144 -6.784 14.546 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.986 -5.773 13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.093 -7.650 14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.251 -7.764 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.871 -8.743 13.889 1.00 0.00 H new ATOM 1094 N LYS A 71 5.377 -5.121 8.432 1.00 0.00 N ATOM 1095 CA LYS A 71 6.464 -4.484 7.694 1.00 0.00 C ATOM 1096 C LYS A 71 5.988 -3.981 6.331 1.00 0.00 C ATOM 1097 O LYS A 71 6.619 -3.118 5.724 1.00 0.00 O ATOM 1098 CB LYS A 71 7.626 -5.465 7.515 1.00 0.00 C ATOM 1099 CG LYS A 71 8.914 -5.010 8.181 1.00 0.00 C ATOM 1100 CD LYS A 71 10.067 -5.950 7.869 1.00 0.00 C ATOM 1101 CE LYS A 71 11.365 -5.188 7.655 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.902 -4.636 8.929 1.00 0.00 N ATOM 0 H LYS A 71 5.555 -6.092 8.690 1.00 0.00 H new ATOM 0 HA LYS A 71 6.805 -3.625 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.339 -6.434 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.808 -5.609 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.163 -4.004 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.768 -4.958 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.191 -6.659 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.833 -6.530 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.105 -5.851 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.196 -4.374 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.787 -4.124 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.207 -3.984 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.088 -5.414 9.594 1.00 0.00 H new ATOM 1116 N LEU A 72 4.876 -4.532 5.854 1.00 0.00 N ATOM 1117 CA LEU A 72 4.321 -4.146 4.564 1.00 0.00 C ATOM 1118 C LEU A 72 3.845 -2.695 4.576 1.00 0.00 C ATOM 1119 O LEU A 72 4.426 -1.837 3.913 1.00 0.00 O ATOM 1120 CB LEU A 72 3.161 -5.075 4.191 1.00 0.00 C ATOM 1121 CG LEU A 72 2.841 -5.150 2.698 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.682 -6.103 2.450 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.522 -3.765 2.155 1.00 0.00 C ATOM 0 H LEU A 72 4.341 -5.249 6.344 1.00 0.00 H new ATOM 0 HA LEU A 72 5.110 -4.236 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.391 -6.079 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.268 -4.745 4.722 1.00 0.00 H new ATOM 0 HG LEU A 72 3.717 -5.532 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.467 -6.145 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.947 -7.099 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.800 -5.750 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.296 -3.834 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.660 -3.357 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.381 -3.110 2.302 1.00 0.00 H new ATOM 1135 N VAL A 73 2.776 -2.429 5.322 1.00 0.00 N ATOM 1136 CA VAL A 73 2.219 -1.084 5.402 1.00 0.00 C ATOM 1137 C VAL A 73 2.960 -0.223 6.424 1.00 0.00 C ATOM 1138 O VAL A 73 3.281 0.933 6.152 1.00 0.00 O ATOM 1139 CB VAL A 73 0.719 -1.122 5.757 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.508 -1.570 7.197 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.078 0.235 5.511 1.00 0.00 C ATOM 0 H VAL A 73 2.280 -3.126 5.878 1.00 0.00 H new ATOM 0 HA VAL A 73 2.343 -0.636 4.416 1.00 0.00 H new ATOM 0 HB VAL A 73 0.235 -1.852 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.559 -1.588 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.923 -2.569 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.008 -0.875 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.981 0.189 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.569 0.987 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.186 0.503 4.460 1.00 0.00 H new ATOM 1151 N LYS A 74 3.227 -0.790 7.598 1.00 0.00 N ATOM 1152 CA LYS A 74 3.927 -0.063 8.656 1.00 0.00 C ATOM 1153 C LYS A 74 5.169 0.634 8.109 1.00 0.00 C ATOM 1154 O LYS A 74 5.451 1.782 8.453 1.00 0.00 O ATOM 1155 CB LYS A 74 4.325 -1.013 9.785 1.00 0.00 C ATOM 1156 CG LYS A 74 4.572 -0.310 11.111 1.00 0.00 C ATOM 1157 CD LYS A 74 5.645 -1.014 11.925 1.00 0.00 C ATOM 1158 CE LYS A 74 5.379 -0.896 13.417 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.094 0.264 14.018 1.00 0.00 N ATOM 0 H LYS A 74 2.971 -1.747 7.841 1.00 0.00 H new ATOM 0 HA LYS A 74 3.247 0.693 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.539 -1.756 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.227 -1.552 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.872 0.721 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.645 -0.274 11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.685 -2.066 11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.620 -0.585 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.308 -0.790 13.588 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.692 -1.813 13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.887 0.310 15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.118 0.151 13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.777 1.142 13.560 1.00 0.00 H new ATOM 1173 N ALA A 75 5.903 -0.066 7.253 1.00 0.00 N ATOM 1174 CA ALA A 75 7.109 0.490 6.655 1.00 0.00 C ATOM 1175 C ALA A 75 6.771 1.689 5.776 1.00 0.00 C ATOM 1176 O ALA A 75 7.574 2.610 5.628 1.00 0.00 O ATOM 1177 CB ALA A 75 7.839 -0.573 5.848 1.00 0.00 C ATOM 0 H ALA A 75 5.684 -1.018 6.958 1.00 0.00 H new ATOM 0 HA ALA A 75 7.765 0.829 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.738 -0.142 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.116 -1.400 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.187 -0.940 5.056 1.00 0.00 H new ATOM 1183 N PHE A 76 5.572 1.674 5.202 1.00 0.00 N ATOM 1184 CA PHE A 76 5.120 2.762 4.345 1.00 0.00 C ATOM 1185 C PHE A 76 5.081 4.074 5.123 1.00 0.00 C ATOM 1186 O PHE A 76 5.525 5.113 4.634 1.00 0.00 O ATOM 1187 CB PHE A 76 3.735 2.453 3.776 1.00 0.00 C ATOM 1188 CG PHE A 76 3.463 3.132 2.465 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.902 2.574 1.276 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.772 4.332 2.422 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.657 3.197 0.070 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.522 4.961 1.218 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.966 4.391 0.039 1.00 0.00 C ATOM 0 H PHE A 76 4.896 0.919 5.316 1.00 0.00 H new ATOM 0 HA PHE A 76 5.826 2.863 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.636 1.375 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.978 2.758 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.443 1.639 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.425 4.781 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.006 2.751 -0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.981 5.896 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.772 4.880 -0.905 1.00 0.00 H new ATOM 1203 N LYS A 77 4.553 4.014 6.340 1.00 0.00 N ATOM 1204 CA LYS A 77 4.460 5.191 7.196 1.00 0.00 C ATOM 1205 C LYS A 77 5.836 5.609 7.712 1.00 0.00 C ATOM 1206 O LYS A 77 5.985 6.671 8.316 1.00 0.00 O ATOM 1207 CB LYS A 77 3.526 4.914 8.374 1.00 0.00 C ATOM 1208 CG LYS A 77 2.156 4.398 7.957 1.00 0.00 C ATOM 1209 CD LYS A 77 1.819 3.082 8.643 1.00 0.00 C ATOM 1210 CE LYS A 77 0.393 3.078 9.172 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.206 1.715 9.149 1.00 0.00 N ATOM 0 H LYS A 77 4.182 3.160 6.757 1.00 0.00 H new ATOM 0 HA LYS A 77 4.056 6.009 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.994 4.184 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.400 5.831 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.397 5.141 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.132 4.262 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.949 2.260 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.514 2.911 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.384 3.461 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.218 3.753 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.910 1.632 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.668 1.554 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.541 1.005 9.290 1.00 0.00 H new ATOM 1225 N LYS A 78 6.842 4.769 7.475 1.00 0.00 N ATOM 1226 CA LYS A 78 8.199 5.061 7.920 1.00 0.00 C ATOM 1227 C LYS A 78 9.054 5.592 6.771 1.00 0.00 C ATOM 1228 O LYS A 78 10.086 6.224 6.996 1.00 0.00 O ATOM 1229 CB LYS A 78 8.843 3.802 8.503 1.00 0.00 C ATOM 1230 CG LYS A 78 9.869 4.089 9.588 1.00 0.00 C ATOM 1231 CD LYS A 78 9.270 3.934 10.977 1.00 0.00 C ATOM 1232 CE LYS A 78 9.758 5.022 11.919 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.230 4.958 12.127 1.00 0.00 N ATOM 0 H LYS A 78 6.741 3.884 6.979 1.00 0.00 H new ATOM 0 HA LYS A 78 8.142 5.830 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.062 3.161 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.323 3.244 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.716 3.411 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.254 5.102 9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.183 3.969 10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.534 2.957 11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.491 5.998 11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.251 4.925 12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.513 5.673 12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.491 4.012 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.716 5.144 11.227 1.00 0.00 H new ATOM 1247 N LYS A 79 8.626 5.324 5.540 1.00 0.00 N ATOM 1248 CA LYS A 79 9.363 5.771 4.364 1.00 0.00 C ATOM 1249 C LYS A 79 8.801 7.080 3.814 1.00 0.00 C ATOM 1250 O LYS A 79 9.549 8.020 3.546 1.00 0.00 O ATOM 1251 CB LYS A 79 9.328 4.695 3.276 1.00 0.00 C ATOM 1252 CG LYS A 79 10.079 5.082 2.012 1.00 0.00 C ATOM 1253 CD LYS A 79 10.460 3.859 1.193 1.00 0.00 C ATOM 1254 CE LYS A 79 11.216 4.246 -0.069 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.567 4.793 0.237 1.00 0.00 N ATOM 0 H LYS A 79 7.775 4.801 5.332 1.00 0.00 H new ATOM 0 HA LYS A 79 10.395 5.946 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.754 3.774 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.290 4.482 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.460 5.746 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.978 5.638 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.076 3.193 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.560 3.305 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.316 3.373 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.641 4.988 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.188 4.666 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.489 5.806 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.969 4.289 1.053 1.00 0.00 H new ATOM 1269 N PHE A 80 7.485 7.132 3.637 1.00 0.00 N ATOM 1270 CA PHE A 80 6.834 8.326 3.105 1.00 0.00 C ATOM 1271 C PHE A 80 6.049 9.067 4.186 1.00 0.00 C ATOM 1272 O PHE A 80 5.684 10.229 4.009 1.00 0.00 O ATOM 1273 CB PHE A 80 5.900 7.954 1.951 1.00 0.00 C ATOM 1274 CG PHE A 80 6.397 6.807 1.117 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.184 5.499 1.519 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.078 7.037 -0.067 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.639 4.442 0.756 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.536 5.984 -0.835 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.317 4.684 -0.422 1.00 0.00 C ATOM 0 H PHE A 80 6.849 6.364 3.853 1.00 0.00 H new ATOM 0 HA PHE A 80 7.617 8.990 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.920 7.700 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.764 8.825 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.656 5.303 2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.253 8.051 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.465 3.427 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.064 6.177 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.675 3.859 -1.019 1.00 0.00 H new ATOM 1289 N ALA A 81 5.788 8.393 5.303 1.00 0.00 N ATOM 1290 CA ALA A 81 5.042 8.998 6.403 1.00 0.00 C ATOM 1291 C ALA A 81 3.581 9.210 6.021 1.00 0.00 C ATOM 1292 O ALA A 81 2.983 10.232 6.355 1.00 0.00 O ATOM 1293 CB ALA A 81 5.679 10.317 6.818 1.00 0.00 C ATOM 0 H ALA A 81 6.081 7.430 5.470 1.00 0.00 H new ATOM 0 HA ALA A 81 5.075 8.313 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.110 10.754 7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.705 10.140 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.679 11.003 5.971 1.00 0.00 H new ATOM 1299 N CYS A 82 3.013 8.233 5.322 1.00 0.00 N ATOM 1300 CA CYS A 82 1.620 8.308 4.895 1.00 0.00 C ATOM 1301 C CYS A 82 0.759 7.327 5.682 1.00 0.00 C ATOM 1302 O CYS A 82 1.274 6.444 6.369 1.00 0.00 O ATOM 1303 CB CYS A 82 1.508 8.017 3.398 1.00 0.00 C ATOM 1304 SG CYS A 82 1.620 9.485 2.349 1.00 0.00 S ATOM 0 H CYS A 82 3.495 7.380 5.039 1.00 0.00 H new ATOM 0 HA CYS A 82 1.259 9.318 5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.297 7.320 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.558 7.518 3.206 1.00 0.00 H new ATOM 0 HG CYS A 82 0.682 9.449 1.450 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.557 7.484 5.578 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.489 6.610 6.280 1.00 0.00 C ATOM 1312 C ASN A 83 -1.798 5.370 5.450 1.00 0.00 C ATOM 1313 O ASN A 83 -2.478 5.447 4.428 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.782 7.361 6.602 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.706 8.101 7.922 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.996 9.295 7.997 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.313 7.393 8.974 1.00 0.00 N ATOM 0 H ASN A 83 -1.002 8.209 5.014 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.022 6.294 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.996 8.070 5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.612 6.655 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.242 7.837 9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.082 6.405 8.867 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.290 4.226 5.895 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.521 2.987 5.180 1.00 0.00 C ATOM 1326 C GLY A 84 -2.279 1.968 6.007 1.00 0.00 C ATOM 1327 O GLY A 84 -2.027 1.817 7.202 1.00 0.00 O ATOM 0 H GLY A 84 -0.723 4.136 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.080 3.197 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.564 2.563 4.877 1.00 0.00 H new ATOM 1331 N THR A 85 -3.209 1.267 5.368 1.00 0.00 N ATOM 1332 CA THR A 85 -4.007 0.254 6.052 1.00 0.00 C ATOM 1333 C THR A 85 -4.150 -0.998 5.188 1.00 0.00 C ATOM 1334 O THR A 85 -3.833 -0.982 4.001 1.00 0.00 O ATOM 1335 CB THR A 85 -5.393 0.807 6.422 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.417 -0.115 6.094 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.725 2.117 5.738 1.00 0.00 C ATOM 0 H THR A 85 -3.429 1.381 4.379 1.00 0.00 H new ATOM 0 HA THR A 85 -3.488 -0.017 6.971 1.00 0.00 H new ATOM 0 HB THR A 85 -5.346 0.977 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.287 0.261 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.717 2.447 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.989 2.870 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.708 1.978 4.657 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.629 -2.079 5.794 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.816 -3.339 5.082 1.00 0.00 C ATOM 1347 C VAL A 86 -6.291 -3.735 5.054 1.00 0.00 C ATOM 1348 O VAL A 86 -6.881 -4.035 6.092 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.998 -4.473 5.730 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.465 -4.731 7.156 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.085 -5.742 4.895 1.00 0.00 C ATOM 0 H VAL A 86 -4.895 -2.108 6.778 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.464 -3.188 4.061 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.954 -4.161 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.873 -5.535 7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.340 -3.825 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.517 -5.017 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.501 -6.531 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.126 -6.057 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.691 -5.549 3.897 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.882 -3.732 3.863 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.288 -4.090 3.710 1.00 0.00 C ATOM 1363 C ILE A 87 -8.455 -5.305 2.804 1.00 0.00 C ATOM 1364 O ILE A 87 -7.704 -5.487 1.847 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.109 -2.923 3.126 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.536 -2.489 1.777 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.140 -1.753 4.096 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.379 -1.451 1.069 1.00 0.00 C ATOM 0 H ILE A 87 -6.411 -3.486 2.992 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.658 -4.326 4.708 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.132 -3.265 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.533 -2.089 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.436 -3.364 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.724 -0.939 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.595 -2.070 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.123 -1.409 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.913 -1.190 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.375 -1.854 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.458 -0.560 1.692 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.452 -6.130 3.110 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.724 -7.322 2.318 1.00 0.00 C ATOM 1382 C GLU A 88 -10.918 -7.090 1.398 1.00 0.00 C ATOM 1383 O GLU A 88 -12.018 -7.580 1.653 1.00 0.00 O ATOM 1384 CB GLU A 88 -9.991 -8.520 3.229 1.00 0.00 C ATOM 1385 CG GLU A 88 -9.633 -9.852 2.593 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.288 -11.027 3.290 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.693 -10.872 4.462 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.399 -12.103 2.665 1.00 0.00 O ATOM 0 H GLU A 88 -10.083 -5.994 3.900 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.846 -7.534 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.421 -8.401 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.045 -8.529 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.934 -9.842 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.551 -9.980 2.613 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.691 -6.332 0.332 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.742 -6.020 -0.628 1.00 0.00 C ATOM 1397 C HIS A 89 -12.367 -7.294 -1.194 1.00 0.00 C ATOM 1398 O HIS A 89 -11.661 -8.249 -1.520 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.177 -5.167 -1.764 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.155 -4.177 -2.311 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.795 -4.344 -3.520 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.607 -3.004 -1.806 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.597 -3.318 -3.739 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.502 -2.490 -2.713 1.00 0.00 N ATOM 0 H HIS A 89 -9.784 -5.921 0.110 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.520 -5.461 -0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.296 -4.635 -1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.847 -5.822 -2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.318 -2.557 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.223 -3.179 -4.608 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.011 -1.612 -2.611 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.706 -7.327 -1.324 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.419 -8.489 -1.857 1.00 0.00 C ATOM 1415 C PRO A 90 -14.367 -8.551 -3.379 1.00 0.00 C ATOM 1416 O PRO A 90 -14.536 -9.616 -3.974 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.851 -8.258 -1.380 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.991 -6.775 -1.324 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.632 -6.233 -0.961 1.00 0.00 C ATOM 0 HA PRO A 90 -13.985 -9.431 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.574 -8.699 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.022 -8.710 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.323 -6.380 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.736 -6.483 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.406 -5.319 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.568 -5.991 0.100 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.132 -7.402 -4.006 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.058 -7.322 -5.461 1.00 0.00 C ATOM 1429 C GLU A 91 -12.676 -7.731 -5.964 1.00 0.00 C ATOM 1430 O GLU A 91 -12.528 -8.173 -7.104 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.389 -5.903 -5.928 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.750 -5.782 -6.594 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.704 -6.091 -8.078 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.655 -6.574 -8.553 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.720 -5.852 -8.765 1.00 0.00 O ATOM 0 H GLU A 91 -13.989 -6.512 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.790 -8.015 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.352 -5.230 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.621 -5.571 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.450 -6.461 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.133 -4.772 -6.449 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.667 -7.579 -5.111 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.299 -7.932 -5.478 1.00 0.00 C ATOM 1444 C TYR A 92 -9.772 -9.054 -4.590 1.00 0.00 C ATOM 1445 O TYR A 92 -9.263 -10.060 -5.083 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.387 -6.706 -5.372 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.074 -5.406 -5.725 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.951 -5.331 -6.800 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.848 -4.254 -4.981 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.583 -4.146 -7.124 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.477 -3.065 -5.300 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.343 -3.016 -6.371 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.970 -1.835 -6.691 1.00 0.00 O ATOM 0 H TYR A 92 -11.770 -7.215 -4.164 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.303 -8.282 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.001 -6.638 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.529 -6.844 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.142 -6.214 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.170 -4.288 -4.141 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.262 -4.105 -7.963 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.291 -2.178 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.693 -1.137 -6.062 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.901 -8.877 -3.280 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.438 -9.886 -2.345 1.00 0.00 C ATOM 1465 C GLY A 93 -8.087 -9.551 -1.743 1.00 0.00 C ATOM 1466 O GLY A 93 -7.053 -9.708 -2.393 1.00 0.00 O ATOM 0 H GLY A 93 -10.318 -8.052 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.170 -9.997 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.375 -10.847 -2.856 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.097 -9.092 -0.496 1.00 0.00 N ATOM 1471 CA GLU A 94 -6.865 -8.738 0.203 1.00 0.00 C ATOM 1472 C GLU A 94 -6.087 -7.668 -0.557 1.00 0.00 C ATOM 1473 O GLU A 94 -5.265 -7.979 -1.418 1.00 0.00 O ATOM 1474 CB GLU A 94 -5.989 -9.978 0.395 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.061 -9.886 1.596 1.00 0.00 C ATOM 1476 CD GLU A 94 -3.639 -9.533 1.206 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -3.051 -10.261 0.379 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.112 -8.528 1.729 1.00 0.00 O ATOM 0 H GLU A 94 -8.946 -8.956 0.053 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.138 -8.335 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.630 -10.852 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.392 -10.134 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.441 -9.135 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.063 -10.838 2.126 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.347 -6.407 -0.226 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.667 -5.291 -0.869 1.00 0.00 C ATOM 1487 C VAL A 95 -5.379 -4.180 0.135 1.00 0.00 C ATOM 1488 O VAL A 95 -6.275 -3.732 0.850 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.495 -4.718 -2.037 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.780 -5.796 -3.071 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.790 -4.102 -1.528 1.00 0.00 C ATOM 0 H VAL A 95 -7.025 -6.134 0.485 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.727 -5.676 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.912 -3.932 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.365 -5.372 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.839 -6.183 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.340 -6.607 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.359 -3.704 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.380 -4.864 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.560 -3.296 -0.831 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.129 -3.739 0.185 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.735 -2.678 1.103 1.00 0.00 C ATOM 1503 C ILE A 96 -4.362 -1.354 0.679 1.00 0.00 C ATOM 1504 O ILE A 96 -4.676 -1.158 -0.492 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.194 -2.551 1.180 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.641 -3.562 2.194 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.761 -1.129 1.534 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.548 -3.034 3.611 1.00 0.00 C ATOM 0 H ILE A 96 -3.372 -4.098 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.099 -2.935 2.098 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.783 -2.773 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.276 -4.448 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.649 -3.879 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.673 -1.080 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.124 -0.438 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.176 -0.853 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.148 -3.811 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.889 -2.166 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.540 -2.745 3.957 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.555 -0.457 1.639 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.160 0.839 1.359 1.00 0.00 C ATOM 1522 C GLN A 97 -4.303 1.981 1.894 1.00 0.00 C ATOM 1523 O GLN A 97 -4.273 2.239 3.097 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.562 0.911 1.970 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.619 1.438 1.015 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.781 2.093 1.736 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.695 2.680 0.973 1.00 0.00 O flip ATOM 1528 NE2 GLN A 97 -8.856 2.071 2.965 1.00 0.00 N flip ATOM 0 H GLN A 97 -4.302 -0.603 2.616 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.231 0.946 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.853 -0.084 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.532 1.550 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.163 2.160 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.992 0.617 0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.130 1.608 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.644 2.516 3.436 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.621 2.674 0.989 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.777 3.802 1.362 1.00 0.00 C ATOM 1539 C LEU A 98 -3.561 5.100 1.246 1.00 0.00 C ATOM 1540 O LEU A 98 -4.547 5.173 0.516 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.541 3.868 0.467 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.646 2.631 0.504 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.093 2.469 -0.818 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.336 2.720 1.666 1.00 0.00 C ATOM 0 H LEU A 98 -3.637 2.473 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.456 3.664 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.864 4.032 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.948 4.735 0.757 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.273 1.752 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.726 1.583 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.629 2.360 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.711 3.348 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.967 1.831 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.960 3.606 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.215 2.787 2.604 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.121 6.124 1.965 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.793 7.419 1.929 1.00 0.00 C ATOM 1558 C GLN A 99 -3.140 8.347 0.908 1.00 0.00 C ATOM 1559 O GLN A 99 -1.915 8.407 0.802 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.774 8.068 3.313 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.147 8.161 3.960 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.871 9.445 3.608 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.291 10.358 3.021 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -7.148 9.520 3.966 1.00 0.00 N ATOM 0 H GLN A 99 -2.306 6.085 2.578 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.828 7.252 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.113 7.497 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.352 9.070 3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.751 7.310 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.040 8.094 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.588 8.738 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.688 10.359 3.756 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.968 9.068 0.160 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.457 9.984 -0.843 1.00 0.00 C ATOM 1575 C GLY A 100 -2.977 9.268 -2.091 1.00 0.00 C ATOM 1576 O GLY A 100 -2.821 8.047 -2.090 1.00 0.00 O ATOM 0 H GLY A 100 -4.985 9.034 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.238 10.695 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.634 10.560 -0.419 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.745 10.026 -3.156 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.279 9.452 -4.413 1.00 0.00 C ATOM 1582 C ASP A 101 -0.862 8.907 -4.266 1.00 0.00 C ATOM 1583 O ASP A 101 0.115 9.639 -4.422 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.327 10.496 -5.530 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.662 11.799 -5.132 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -2.337 12.642 -4.505 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.467 11.977 -5.449 1.00 0.00 O ATOM 0 H ASP A 101 -2.872 11.038 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.942 8.627 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.836 10.097 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.366 10.689 -5.799 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.762 7.617 -3.967 1.00 0.00 N ATOM 1593 CA GLN A 102 0.529 6.966 -3.798 1.00 0.00 C ATOM 1594 C GLN A 102 0.856 6.082 -4.998 1.00 0.00 C ATOM 1595 O GLN A 102 1.820 5.321 -4.969 1.00 0.00 O ATOM 1596 CB GLN A 102 0.530 6.123 -2.518 1.00 0.00 C ATOM 1597 CG GLN A 102 1.251 6.777 -1.348 1.00 0.00 C ATOM 1598 CD GLN A 102 0.891 8.240 -1.176 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.373 8.570 -1.404 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.742 9.066 -0.843 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.564 7.000 -3.836 1.00 0.00 H new ATOM 0 HA GLN A 102 1.292 7.741 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.501 5.919 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.998 5.161 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.009 6.238 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.327 6.688 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.704 8.769 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.485 10.047 -0.733 1.00 0.00 H new ATOM 1609 N ARG A 103 0.052 6.184 -6.054 1.00 0.00 N ATOM 1610 CA ARG A 103 0.268 5.385 -7.257 1.00 0.00 C ATOM 1611 C ARG A 103 1.726 5.441 -7.705 1.00 0.00 C ATOM 1612 O ARG A 103 2.228 4.511 -8.337 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.643 5.873 -8.387 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.643 7.383 -8.561 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.081 7.785 -9.961 1.00 0.00 C ATOM 1616 NE ARG A 103 -2.288 8.608 -9.942 1.00 0.00 N ATOM 1617 CZ ARG A 103 -2.338 9.840 -9.440 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -1.254 10.391 -8.908 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -3.475 10.523 -9.470 1.00 0.00 N ATOM 0 H ARG A 103 -0.752 6.810 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 103 0.024 4.350 -7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.329 5.408 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.662 5.538 -8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.310 7.834 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.356 7.772 -8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.276 8.334 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.262 6.889 -10.555 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.143 8.216 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.377 9.870 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.298 11.335 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.311 10.104 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.513 11.467 -9.085 1.00 0.00 H new ATOM 1633 N LYS A 104 2.403 6.537 -7.374 1.00 0.00 N ATOM 1634 CA LYS A 104 3.802 6.713 -7.743 1.00 0.00 C ATOM 1635 C LYS A 104 4.734 6.325 -6.596 1.00 0.00 C ATOM 1636 O LYS A 104 5.910 6.033 -6.815 1.00 0.00 O ATOM 1637 CB LYS A 104 4.062 8.163 -8.155 1.00 0.00 C ATOM 1638 CG LYS A 104 3.253 8.609 -9.361 1.00 0.00 C ATOM 1639 CD LYS A 104 3.518 7.723 -10.568 1.00 0.00 C ATOM 1640 CE LYS A 104 4.982 7.762 -10.976 1.00 0.00 C ATOM 1641 NZ LYS A 104 5.146 7.752 -12.457 1.00 0.00 N ATOM 0 H LYS A 104 2.004 7.316 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 104 4.009 6.055 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.834 8.817 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.123 8.284 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.191 8.585 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.501 9.642 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.230 6.697 -10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.898 8.048 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.450 8.657 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.501 6.905 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.158 7.779 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.722 6.886 -12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.672 8.583 -12.864 1.00 0.00 H new ATOM 1655 N ASN A 105 4.209 6.331 -5.373 1.00 0.00 N ATOM 1656 CA ASN A 105 5.010 5.985 -4.201 1.00 0.00 C ATOM 1657 C ASN A 105 4.876 4.504 -3.857 1.00 0.00 C ATOM 1658 O ASN A 105 5.843 3.868 -3.439 1.00 0.00 O ATOM 1659 CB ASN A 105 4.589 6.837 -3.004 1.00 0.00 C ATOM 1660 CG ASN A 105 5.294 8.179 -2.974 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.511 8.250 -2.806 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.530 9.252 -3.137 1.00 0.00 N ATOM 0 H ASN A 105 3.239 6.570 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 105 6.055 6.187 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.511 6.996 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.804 6.296 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.948 10.182 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.525 9.146 -3.273 1.00 0.00 H new ATOM 1669 N ILE A 106 3.675 3.960 -4.028 1.00 0.00 N ATOM 1670 CA ILE A 106 3.429 2.557 -3.724 1.00 0.00 C ATOM 1671 C ILE A 106 4.235 1.645 -4.645 1.00 0.00 C ATOM 1672 O ILE A 106 4.953 0.762 -4.176 1.00 0.00 O ATOM 1673 CB ILE A 106 1.930 2.207 -3.810 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.675 0.814 -3.236 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.430 2.297 -5.244 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.259 0.606 -1.852 1.00 0.00 C ATOM 0 H ILE A 106 2.861 4.468 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 106 3.755 2.393 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 106 1.376 2.934 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.600 0.639 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.095 0.070 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.370 2.045 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.574 3.311 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.988 1.599 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.037 -0.405 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.339 0.748 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.821 1.326 -1.160 1.00 0.00 H new ATOM 1688 N CYS A 107 4.144 1.878 -5.954 1.00 0.00 N ATOM 1689 CA CYS A 107 4.905 1.085 -6.914 1.00 0.00 C ATOM 1690 C CYS A 107 6.384 1.191 -6.573 1.00 0.00 C ATOM 1691 O CYS A 107 7.145 0.227 -6.681 1.00 0.00 O ATOM 1692 CB CYS A 107 4.651 1.581 -8.340 1.00 0.00 C ATOM 1693 SG CYS A 107 3.129 0.947 -9.081 1.00 0.00 S ATOM 0 H CYS A 107 3.557 2.602 -6.369 1.00 0.00 H new ATOM 0 HA CYS A 107 4.589 0.043 -6.859 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.613 2.670 -8.333 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.495 1.296 -8.968 1.00 0.00 H new ATOM 0 HG CYS A 107 3.278 0.859 -10.369 1.00 0.00 H new ATOM 1699 N GLN A 108 6.765 2.382 -6.124 1.00 0.00 N ATOM 1700 CA GLN A 108 8.133 2.662 -5.718 1.00 0.00 C ATOM 1701 C GLN A 108 8.432 1.936 -4.408 1.00 0.00 C ATOM 1702 O GLN A 108 9.558 1.498 -4.169 1.00 0.00 O ATOM 1703 CB GLN A 108 8.316 4.182 -5.573 1.00 0.00 C ATOM 1704 CG GLN A 108 9.412 4.614 -4.607 1.00 0.00 C ATOM 1705 CD GLN A 108 10.733 4.875 -5.303 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.471 3.808 -5.592 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 11.087 6.021 -5.579 1.00 0.00 N flip ATOM 0 H GLN A 108 6.134 3.178 -6.032 1.00 0.00 H new ATOM 0 HA GLN A 108 8.834 2.303 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.534 4.601 -6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.372 4.616 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.096 5.517 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.550 3.841 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.489 6.811 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.979 6.180 -6.048 1.00 0.00 H new ATOM 1716 N PHE A 109 7.408 1.807 -3.569 1.00 0.00 N ATOM 1717 CA PHE A 109 7.541 1.129 -2.287 1.00 0.00 C ATOM 1718 C PHE A 109 7.670 -0.376 -2.489 1.00 0.00 C ATOM 1719 O PHE A 109 8.524 -1.025 -1.885 1.00 0.00 O ATOM 1720 CB PHE A 109 6.328 1.428 -1.403 1.00 0.00 C ATOM 1721 CG PHE A 109 6.360 0.726 -0.076 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.285 1.087 0.889 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.466 -0.295 0.204 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.316 0.445 2.112 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.493 -0.941 1.426 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.419 -0.571 2.381 1.00 0.00 C ATOM 0 H PHE A 109 6.472 2.166 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 109 8.442 1.497 -1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.269 2.503 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.422 1.139 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.990 1.879 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.741 -0.589 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.041 0.737 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.790 -1.734 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.442 -1.075 3.336 1.00 0.00 H new ATOM 1736 N LEU A 110 6.813 -0.922 -3.346 1.00 0.00 N ATOM 1737 CA LEU A 110 6.822 -2.351 -3.636 1.00 0.00 C ATOM 1738 C LEU A 110 8.192 -2.794 -4.135 1.00 0.00 C ATOM 1739 O LEU A 110 8.604 -3.933 -3.922 1.00 0.00 O ATOM 1740 CB LEU A 110 5.752 -2.686 -4.678 1.00 0.00 C ATOM 1741 CG LEU A 110 4.370 -3.025 -4.112 1.00 0.00 C ATOM 1742 CD1 LEU A 110 3.987 -2.055 -3.006 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.326 -3.011 -5.219 1.00 0.00 C ATOM 0 H LEU A 110 6.102 -0.395 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 110 6.601 -2.887 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.651 -1.838 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.100 -3.530 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 110 4.411 -4.027 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.002 -2.315 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.720 -2.113 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.964 -1.040 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.349 -3.254 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.290 -2.021 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.590 -3.748 -5.977 1.00 0.00 H new ATOM 1755 N VAL A 111 8.893 -1.884 -4.801 1.00 0.00 N ATOM 1756 CA VAL A 111 10.217 -2.182 -5.329 1.00 0.00 C ATOM 1757 C VAL A 111 11.306 -1.791 -4.335 1.00 0.00 C ATOM 1758 O VAL A 111 12.369 -2.411 -4.287 1.00 0.00 O ATOM 1759 CB VAL A 111 10.461 -1.453 -6.665 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.843 -1.777 -7.215 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.381 -1.816 -7.673 1.00 0.00 C ATOM 0 H VAL A 111 8.567 -0.936 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 111 10.260 -3.258 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 111 10.415 -0.379 -6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.992 -1.251 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.602 -1.461 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.926 -2.851 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.568 -1.293 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.394 -2.892 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.406 -1.524 -7.283 1.00 0.00 H new ATOM 1771 N GLU A 112 11.036 -0.758 -3.543 1.00 0.00 N ATOM 1772 CA GLU A 112 11.994 -0.286 -2.549 1.00 0.00 C ATOM 1773 C GLU A 112 12.162 -1.306 -1.429 1.00 0.00 C ATOM 1774 O GLU A 112 13.263 -1.504 -0.916 1.00 0.00 O ATOM 1775 CB GLU A 112 11.538 1.053 -1.967 1.00 0.00 C ATOM 1776 CG GLU A 112 11.834 2.242 -2.865 1.00 0.00 C ATOM 1777 CD GLU A 112 13.075 3.001 -2.437 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.140 2.364 -2.292 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.981 4.233 -2.250 1.00 0.00 O ATOM 0 H GLU A 112 10.162 -0.232 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 112 12.956 -0.152 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.465 1.010 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.026 1.206 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.960 1.895 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.979 2.918 -2.860 1.00 0.00 H new ATOM 1786 N ILE A 113 11.062 -1.947 -1.052 1.00 0.00 N ATOM 1787 CA ILE A 113 11.084 -2.945 0.012 1.00 0.00 C ATOM 1788 C ILE A 113 11.231 -4.355 -0.554 1.00 0.00 C ATOM 1789 O ILE A 113 11.735 -5.255 0.119 1.00 0.00 O ATOM 1790 CB ILE A 113 9.801 -2.873 0.868 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.606 -3.456 0.101 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.524 -1.434 1.281 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.280 -3.280 0.808 1.00 0.00 C ATOM 0 H ILE A 113 10.143 -1.794 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 113 11.947 -2.723 0.640 1.00 0.00 H new ATOM 0 HB ILE A 113 9.950 -3.469 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.550 -2.983 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.779 -4.519 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.617 -1.397 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.363 -1.055 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.393 -0.819 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.485 -3.717 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.315 -3.778 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.083 -2.218 0.953 1.00 0.00 H new ATOM 1805 N GLY A 114 10.777 -4.541 -1.787 1.00 0.00 N ATOM 1806 CA GLY A 114 10.852 -5.844 -2.417 1.00 0.00 C ATOM 1807 C GLY A 114 9.550 -6.607 -2.291 1.00 0.00 C ATOM 1808 O GLY A 114 9.539 -7.837 -2.250 1.00 0.00 O ATOM 0 H GLY A 114 10.357 -3.811 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.102 -5.724 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.657 -6.422 -1.962 1.00 0.00 H new ATOM 1812 N LEU A 115 8.446 -5.866 -2.227 1.00 0.00 N ATOM 1813 CA LEU A 115 7.124 -6.466 -2.102 1.00 0.00 C ATOM 1814 C LEU A 115 6.676 -7.064 -3.429 1.00 0.00 C ATOM 1815 O LEU A 115 6.612 -8.284 -3.583 1.00 0.00 O ATOM 1816 CB LEU A 115 6.114 -5.414 -1.631 1.00 0.00 C ATOM 1817 CG LEU A 115 5.078 -5.905 -0.619 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.751 -6.646 0.528 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.256 -4.736 -0.095 1.00 0.00 C ATOM 0 H LEU A 115 8.443 -4.847 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 115 7.176 -7.267 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.662 -4.581 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.589 -5.024 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 115 4.408 -6.601 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.994 -6.986 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.294 -7.506 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.447 -5.977 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.523 -5.100 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.915 -4.017 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.741 -4.252 -0.925 1.00 0.00 H new ATOM 1831 N ALA A 116 6.379 -6.197 -4.391 1.00 0.00 N ATOM 1832 CA ALA A 116 5.949 -6.638 -5.708 1.00 0.00 C ATOM 1833 C ALA A 116 7.150 -6.799 -6.635 1.00 0.00 C ATOM 1834 O ALA A 116 8.293 -6.828 -6.180 1.00 0.00 O ATOM 1835 CB ALA A 116 4.953 -5.650 -6.297 1.00 0.00 C ATOM 0 H ALA A 116 6.429 -5.184 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 116 5.459 -7.606 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.640 -5.993 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.083 -5.578 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.422 -4.670 -6.386 1.00 0.00 H new ATOM 1841 N LYS A 117 6.888 -6.892 -7.932 1.00 0.00 N ATOM 1842 CA LYS A 117 7.953 -7.037 -8.917 1.00 0.00 C ATOM 1843 C LYS A 117 7.843 -5.950 -9.980 1.00 0.00 C ATOM 1844 O LYS A 117 6.742 -5.547 -10.355 1.00 0.00 O ATOM 1845 CB LYS A 117 7.895 -8.420 -9.571 1.00 0.00 C ATOM 1846 CG LYS A 117 8.838 -9.431 -8.938 1.00 0.00 C ATOM 1847 CD LYS A 117 10.261 -9.262 -9.447 1.00 0.00 C ATOM 1848 CE LYS A 117 11.134 -8.531 -8.437 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.436 -9.221 -8.224 1.00 0.00 N ATOM 0 H LYS A 117 5.948 -6.870 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 117 8.910 -6.934 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.875 -8.799 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.137 -8.323 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.822 -9.316 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.490 -10.441 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.691 -10.241 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.249 -8.709 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.315 -7.513 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.604 -8.455 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.000 -8.691 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.265 -10.183 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.954 -9.271 -9.125 1.00 0.00 H new ATOM 1863 N ASP A 118 8.987 -5.474 -10.463 1.00 0.00 N ATOM 1864 CA ASP A 118 9.004 -4.428 -11.480 1.00 0.00 C ATOM 1865 C ASP A 118 8.126 -4.812 -12.668 1.00 0.00 C ATOM 1866 O ASP A 118 7.546 -3.950 -13.328 1.00 0.00 O ATOM 1867 CB ASP A 118 10.431 -4.152 -11.951 1.00 0.00 C ATOM 1868 CG ASP A 118 11.409 -4.031 -10.799 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.980 -3.634 -9.695 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.605 -4.331 -11.000 1.00 0.00 O ATOM 0 H ASP A 118 9.910 -5.794 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 118 8.604 -3.519 -11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.753 -4.955 -12.614 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.446 -3.231 -12.534 1.00 0.00 H new ATOM 1875 N ASP A 119 8.027 -6.112 -12.925 1.00 0.00 N ATOM 1876 CA ASP A 119 7.210 -6.613 -14.022 1.00 0.00 C ATOM 1877 C ASP A 119 5.738 -6.626 -13.624 1.00 0.00 C ATOM 1878 O ASP A 119 4.851 -6.546 -14.473 1.00 0.00 O ATOM 1879 CB ASP A 119 7.661 -8.019 -14.422 1.00 0.00 C ATOM 1880 CG ASP A 119 7.849 -8.163 -15.920 1.00 0.00 C ATOM 1881 OD1 ASP A 119 8.972 -7.909 -16.404 1.00 0.00 O ATOM 1882 OD2 ASP A 119 6.873 -8.529 -16.608 1.00 0.00 O ATOM 0 H ASP A 119 8.503 -6.837 -12.388 1.00 0.00 H new ATOM 0 HA ASP A 119 7.335 -5.949 -14.878 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.598 -8.254 -13.917 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.923 -8.745 -14.080 1.00 0.00 H new ATOM 1887 N GLN A 120 5.489 -6.724 -12.320 1.00 0.00 N ATOM 1888 CA GLN A 120 4.129 -6.743 -11.799 1.00 0.00 C ATOM 1889 C GLN A 120 3.599 -5.329 -11.583 1.00 0.00 C ATOM 1890 O GLN A 120 2.407 -5.137 -11.344 1.00 0.00 O ATOM 1891 CB GLN A 120 4.077 -7.507 -10.478 1.00 0.00 C ATOM 1892 CG GLN A 120 4.520 -8.956 -10.583 1.00 0.00 C ATOM 1893 CD GLN A 120 4.432 -9.672 -9.251 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.275 -9.572 -8.608 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.388 -10.306 -8.807 1.00 0.00 N flip ATOM 0 H GLN A 120 6.214 -6.791 -11.606 1.00 0.00 H new ATOM 0 HA GLN A 120 3.501 -7.243 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.708 -6.997 -9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.058 -7.477 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.899 -9.473 -11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.546 -8.996 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.258 -10.355 -9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.311 -10.783 -7.909 1.00 0.00 H new ATOM 1904 N LEU A 121 4.489 -4.342 -11.661 1.00 0.00 N ATOM 1905 CA LEU A 121 4.108 -2.945 -11.466 1.00 0.00 C ATOM 1906 C LEU A 121 2.889 -2.588 -12.310 1.00 0.00 C ATOM 1907 O LEU A 121 3.015 -2.199 -13.471 1.00 0.00 O ATOM 1908 CB LEU A 121 5.275 -2.021 -11.819 1.00 0.00 C ATOM 1909 CG LEU A 121 6.398 -1.969 -10.780 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.628 -1.284 -11.360 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.927 -1.252 -9.518 1.00 0.00 C ATOM 0 H LEU A 121 5.480 -4.484 -11.858 1.00 0.00 H new ATOM 0 HA LEU A 121 3.851 -2.810 -10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.697 -2.341 -12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.889 -1.012 -11.965 1.00 0.00 H new ATOM 0 HG LEU A 121 6.668 -2.990 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.417 -1.255 -10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.977 -1.839 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.372 -0.267 -11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.738 -1.225 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.629 -0.234 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.076 -1.785 -9.093 1.00 0.00 H new ATOM 1923 N LYS A 122 1.708 -2.728 -11.717 1.00 0.00 N ATOM 1924 CA LYS A 122 0.465 -2.424 -12.411 1.00 0.00 C ATOM 1925 C LYS A 122 -0.229 -1.223 -11.775 1.00 0.00 C ATOM 1926 O LYS A 122 -1.109 -1.379 -10.929 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.460 -3.640 -12.392 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.331 -4.516 -13.627 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.897 -3.829 -14.861 1.00 0.00 C ATOM 1930 CE LYS A 122 0.023 -3.991 -16.060 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.591 -3.456 -17.307 1.00 0.00 N ATOM 0 H LYS A 122 1.587 -3.050 -10.757 1.00 0.00 H new ATOM 0 HA LYS A 122 0.701 -2.175 -13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.243 -4.238 -11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.492 -3.301 -12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.718 -4.759 -13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.854 -5.458 -13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.877 -4.246 -15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.043 -2.769 -14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.964 -3.475 -15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.260 -5.046 -16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.068 -3.585 -18.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.476 -3.965 -17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.794 -2.443 -17.187 1.00 0.00 H new ATOM 1945 N VAL A 123 0.177 -0.026 -12.186 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.403 1.201 -11.654 1.00 0.00 C ATOM 1947 C VAL A 123 -1.580 1.670 -12.507 1.00 0.00 C ATOM 1948 O VAL A 123 -1.435 1.892 -13.709 1.00 0.00 O ATOM 1949 CB VAL A 123 0.647 2.328 -11.578 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.184 2.660 -12.963 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.059 3.564 -10.914 1.00 0.00 C ATOM 0 H VAL A 123 0.905 0.120 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.758 0.975 -10.648 1.00 0.00 H new ATOM 0 HB VAL A 123 1.480 1.978 -10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.923 3.457 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.650 1.774 -13.395 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.364 2.986 -13.603 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.815 4.348 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.795 3.916 -11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.265 3.315 -9.903 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.745 1.814 -11.880 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.940 2.254 -12.592 1.00 0.00 C ATOM 1963 C HIS A 124 -4.609 3.426 -11.884 1.00 0.00 C ATOM 1964 O HIS A 124 -5.615 3.256 -11.193 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.930 1.096 -12.725 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.328 -0.132 -13.328 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.540 -0.511 -14.637 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.511 -1.070 -12.795 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.881 -1.628 -14.882 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.247 -1.989 -13.782 1.00 0.00 N ATOM 0 H HIS A 124 -2.886 1.633 -10.886 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.634 2.586 -13.584 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.326 0.851 -11.740 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.773 1.417 -13.337 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.116 -0.007 -15.311 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.136 -1.092 -11.782 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.863 -2.157 -15.823 1.00 0.00 H new ATOM 1979 N GLY A 125 -4.055 4.620 -12.068 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.625 5.800 -11.447 1.00 0.00 C ATOM 1981 C GLY A 125 -6.036 6.070 -11.932 1.00 0.00 C ATOM 1982 O GLY A 125 -6.263 6.247 -13.128 1.00 0.00 O ATOM 0 H GLY A 125 -3.224 4.791 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.632 5.673 -10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.996 6.663 -11.663 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.988 6.092 -11.003 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.389 6.333 -11.342 1.00 0.00 C ATOM 1988 C PHE A 126 -8.534 7.512 -12.305 1.00 0.00 C ATOM 1989 O PHE A 126 -7.723 8.457 -12.210 1.00 0.00 O ATOM 1990 CB PHE A 126 -9.205 6.585 -10.069 1.00 0.00 C ATOM 1991 CG PHE A 126 -9.105 7.993 -9.550 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.883 8.515 -9.157 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -10.232 8.793 -9.461 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.788 9.809 -8.683 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.144 10.088 -8.990 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.921 10.597 -8.599 1.00 0.00 C ATOM 1997 OXT PHE A 126 -9.458 7.478 -13.145 1.00 0.00 O ATOM 0 H PHE A 126 -6.815 5.946 -10.008 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.772 5.443 -11.842 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.252 6.355 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.870 5.897 -9.292 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.995 7.903 -9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.191 8.399 -9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.830 10.205 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -11.030 10.702 -8.927 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.850 11.609 -8.228 1.00 0.00 H new