USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=13 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 146:sc= 0.0195 USER MOD Set 1.2: A 102 GLN : amide:sc= -6.54! C(o=-6.5!,f=-7!) USER MOD Set 2.1: A 50 GLN : amide:sc= -3.86! C(o=-5.1!,f=-5!) USER MOD Set 2.2: A 56 THR OG1 : rot 170:sc= -1.25 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.981 K(o=-0.9,f=-2.5) USER MOD Set 3.2: A 59 THR OG1 : rot -98:sc= 0.0794 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -5.58! C(o=-14!,f=-16!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -8.92! 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 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 61 GLN : amide:sc= -1.79! C(o=-1.8!,f=-1.5!) USER MOD Single : A 67 TYR OH : rot -136:sc= 0.497 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+ 144:sc=-0.00446 (180deg=-0.12) 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+ -162:sc= 0.41 (180deg=0.256) USER MOD Single : A 83 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.1) USER MOD Single : A 85 THR OG1 : rot -48:sc= -0.453 USER MOD Single : A 89 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-4.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 99 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 107 CYS SG : rot -101:sc= 0.506 USER MOD Single : A 108 GLN : amide:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.4 F(o=-6.8!,f=-2.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.045 -12.369 -13.214 1.00 0.00 N ATOM 607 CA ASP A 42 0.367 -11.977 -11.985 1.00 0.00 C ATOM 608 C ASP A 42 0.922 -10.655 -11.470 1.00 0.00 C ATOM 609 O ASP A 42 1.615 -10.612 -10.454 1.00 0.00 O ATOM 610 CB ASP A 42 0.528 -13.064 -10.919 1.00 0.00 C ATOM 611 CG ASP A 42 -0.558 -14.120 -11.000 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.322 -14.114 -11.988 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.643 -14.954 -10.074 1.00 0.00 O ATOM 0 HA ASP A 42 -0.694 -11.851 -12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.502 -13.539 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.511 -12.605 -9.931 1.00 0.00 H new ATOM 618 N TYR A 43 0.620 -9.579 -12.185 1.00 0.00 N ATOM 619 CA TYR A 43 1.094 -8.251 -11.815 1.00 0.00 C ATOM 620 C TYR A 43 0.423 -7.755 -10.538 1.00 0.00 C ATOM 621 O TYR A 43 -0.505 -8.379 -10.024 1.00 0.00 O ATOM 622 CB TYR A 43 0.830 -7.264 -12.953 1.00 0.00 C ATOM 623 CG TYR A 43 1.205 -7.792 -14.320 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.353 -8.553 -14.505 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.407 -7.527 -15.426 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.695 -9.033 -15.755 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.742 -8.004 -16.678 1.00 0.00 C ATOM 628 CZ TYR A 43 1.887 -8.756 -16.838 1.00 0.00 C ATOM 629 OH TYR A 43 2.223 -9.233 -18.084 1.00 0.00 O ATOM 0 H TYR A 43 0.046 -9.600 -13.028 1.00 0.00 H new ATOM 0 HA TYR A 43 2.166 -8.319 -11.631 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.227 -7.000 -12.954 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.388 -6.347 -12.763 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.988 -8.773 -13.659 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.490 -6.938 -15.305 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.591 -9.622 -15.883 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.111 -7.789 -17.527 1.00 0.00 H new ATOM 0 HH TYR A 43 1.548 -8.949 -18.736 1.00 0.00 H new ATOM 639 N ILE A 44 0.899 -6.618 -10.039 1.00 0.00 N ATOM 640 CA ILE A 44 0.351 -6.016 -8.830 1.00 0.00 C ATOM 641 C ILE A 44 -0.423 -4.747 -9.179 1.00 0.00 C ATOM 642 O ILE A 44 0.167 -3.694 -9.422 1.00 0.00 O ATOM 643 CB ILE A 44 1.466 -5.685 -7.810 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.240 -6.949 -7.425 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.883 -5.030 -6.565 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.353 -8.120 -7.059 1.00 0.00 C ATOM 0 H ILE A 44 1.667 -6.093 -10.457 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.324 -6.740 -8.373 1.00 0.00 H new ATOM 0 HB ILE A 44 2.154 -4.984 -8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.883 -7.238 -8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.892 -6.722 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.685 -4.806 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.376 -4.106 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.169 -5.708 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.972 -8.978 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.728 -7.851 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.719 -8.375 -7.908 1.00 0.00 H new ATOM 658 N HIS A 45 -1.747 -4.862 -9.221 1.00 0.00 N ATOM 659 CA HIS A 45 -2.609 -3.735 -9.563 1.00 0.00 C ATOM 660 C HIS A 45 -2.808 -2.787 -8.384 1.00 0.00 C ATOM 661 O HIS A 45 -3.381 -3.159 -7.361 1.00 0.00 O ATOM 662 CB HIS A 45 -3.965 -4.247 -10.052 1.00 0.00 C ATOM 663 CG HIS A 45 -4.315 -3.787 -11.432 1.00 0.00 C ATOM 664 ND1 HIS A 45 -3.957 -4.480 -12.569 1.00 0.00 N ATOM 665 CD2 HIS A 45 -4.993 -2.695 -11.855 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.399 -3.834 -13.633 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.033 -2.748 -13.227 1.00 0.00 N ATOM 0 H HIS A 45 -2.248 -5.728 -9.022 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.116 -3.174 -10.357 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.962 -5.337 -10.031 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.740 -3.917 -9.360 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.422 -1.926 -11.231 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.265 -4.141 -14.660 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.480 -2.061 -13.834 1.00 0.00 H new ATOM 676 N ILE A 46 -2.336 -1.554 -8.545 1.00 0.00 N ATOM 677 CA ILE A 46 -2.467 -0.537 -7.503 1.00 0.00 C ATOM 678 C ILE A 46 -3.929 -0.083 -7.357 1.00 0.00 C ATOM 679 O ILE A 46 -4.694 -0.706 -6.620 1.00 0.00 O ATOM 680 CB ILE A 46 -1.555 0.676 -7.787 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.110 0.214 -7.986 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.642 1.689 -6.656 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.500 -0.420 -6.755 1.00 0.00 C ATOM 0 H ILE A 46 -1.859 -1.234 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.150 -0.989 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.895 1.160 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.076 -0.502 -8.807 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.498 1.069 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.992 2.536 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.670 2.037 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.326 1.221 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.525 -0.723 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.499 0.300 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.084 -1.295 -6.469 1.00 0.00 H new ATOM 695 N ARG A 47 -4.319 0.990 -8.067 1.00 0.00 N ATOM 696 CA ARG A 47 -5.693 1.506 -8.025 1.00 0.00 C ATOM 697 C ARG A 47 -5.887 2.534 -6.912 1.00 0.00 C ATOM 698 O ARG A 47 -5.737 2.226 -5.730 1.00 0.00 O ATOM 699 CB ARG A 47 -6.707 0.368 -7.865 1.00 0.00 C ATOM 700 CG ARG A 47 -8.100 0.720 -8.365 1.00 0.00 C ATOM 701 CD ARG A 47 -8.556 -0.226 -9.466 1.00 0.00 C ATOM 702 NE ARG A 47 -9.929 0.044 -9.886 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.286 1.091 -10.625 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.376 1.969 -11.028 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.557 1.263 -10.962 1.00 0.00 N ATOM 0 H ARG A 47 -3.696 1.517 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.867 2.005 -8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.346 -0.507 -8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.767 0.091 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.806 0.680 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.105 1.744 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.890 -0.132 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.480 -1.255 -9.114 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.657 -0.609 -9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.397 1.843 -10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.656 2.770 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.261 0.592 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.830 2.066 -11.529 1.00 0.00 H new ATOM 719 N ILE A 48 -6.243 3.756 -7.309 1.00 0.00 N ATOM 720 CA ILE A 48 -6.487 4.842 -6.363 1.00 0.00 C ATOM 721 C ILE A 48 -7.990 5.084 -6.215 1.00 0.00 C ATOM 722 O ILE A 48 -8.774 4.724 -7.091 1.00 0.00 O ATOM 723 CB ILE A 48 -5.804 6.159 -6.815 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.291 6.093 -6.587 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.393 7.363 -6.089 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.587 7.408 -6.845 1.00 0.00 C ATOM 0 H ILE A 48 -6.369 4.018 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.061 4.542 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.992 6.278 -7.882 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.099 5.782 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.866 5.328 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.894 8.271 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.459 7.433 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.248 7.247 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.518 7.290 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.749 7.711 -7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.986 8.171 -6.177 1.00 0.00 H new ATOM 738 N GLN A 49 -8.383 5.706 -5.107 1.00 0.00 N ATOM 739 CA GLN A 49 -9.788 6.005 -4.860 1.00 0.00 C ATOM 740 C GLN A 49 -9.945 7.355 -4.166 1.00 0.00 C ATOM 741 O GLN A 49 -9.868 7.449 -2.941 1.00 0.00 O ATOM 742 CB GLN A 49 -10.433 4.900 -4.022 1.00 0.00 C ATOM 743 CG GLN A 49 -9.758 4.681 -2.679 1.00 0.00 C ATOM 744 CD GLN A 49 -9.600 3.213 -2.337 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.880 2.480 -3.016 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.274 2.775 -1.281 1.00 0.00 N ATOM 0 H GLN A 49 -7.749 6.012 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.296 6.055 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.482 5.147 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.411 3.968 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.777 5.155 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.341 5.171 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.859 3.418 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.207 1.796 -1.003 1.00 0.00 H new ATOM 755 N GLN A 50 -10.169 8.397 -4.963 1.00 0.00 N ATOM 756 CA GLN A 50 -10.343 9.747 -4.435 1.00 0.00 C ATOM 757 C GLN A 50 -11.823 10.122 -4.404 1.00 0.00 C ATOM 758 O GLN A 50 -12.424 10.406 -5.440 1.00 0.00 O ATOM 759 CB GLN A 50 -9.557 10.753 -5.282 1.00 0.00 C ATOM 760 CG GLN A 50 -8.621 11.634 -4.471 1.00 0.00 C ATOM 761 CD GLN A 50 -7.502 12.228 -5.303 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.295 11.841 -6.453 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.772 13.172 -4.724 1.00 0.00 N ATOM 0 H GLN A 50 -10.234 8.332 -5.979 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.959 9.773 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.976 10.211 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.260 11.386 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.194 12.440 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.191 11.048 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.979 13.462 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.004 13.608 -5.234 1.00 0.00 H new ATOM 772 N ARG A 51 -12.407 10.108 -3.208 1.00 0.00 N ATOM 773 CA ARG A 51 -13.821 10.431 -3.037 1.00 0.00 C ATOM 774 C ARG A 51 -14.151 11.816 -3.595 1.00 0.00 C ATOM 775 O ARG A 51 -14.699 11.937 -4.690 1.00 0.00 O ATOM 776 CB ARG A 51 -14.207 10.351 -1.559 1.00 0.00 C ATOM 777 CG ARG A 51 -15.292 9.327 -1.269 1.00 0.00 C ATOM 778 CD ARG A 51 -14.703 7.958 -0.974 1.00 0.00 C ATOM 779 NE ARG A 51 -14.595 7.707 0.462 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.522 6.492 1.000 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.540 5.413 0.228 1.00 0.00 N ATOM 782 NH2 ARG A 51 -14.430 6.356 2.316 1.00 0.00 N ATOM 0 H ARG A 51 -11.922 9.876 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.401 9.698 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.321 10.105 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.547 11.332 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.888 9.658 -0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.966 9.258 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.326 7.189 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.716 7.882 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.574 8.511 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.610 5.512 -0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.484 4.485 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.415 7.182 2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.374 5.425 2.730 1.00 0.00 H new ATOM 796 N ASN A 52 -13.825 12.855 -2.832 1.00 0.00 N ATOM 797 CA ASN A 52 -14.100 14.226 -3.252 1.00 0.00 C ATOM 798 C ASN A 52 -12.873 14.860 -3.899 1.00 0.00 C ATOM 799 O ASN A 52 -12.598 16.044 -3.704 1.00 0.00 O ATOM 800 CB ASN A 52 -14.552 15.065 -2.055 1.00 0.00 C ATOM 801 CG ASN A 52 -15.649 14.389 -1.257 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.812 14.386 -1.659 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.283 13.812 -0.118 1.00 0.00 N ATOM 0 H ASN A 52 -13.371 12.775 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.900 14.197 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.698 15.255 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.907 16.034 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.978 13.342 0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.307 13.839 0.177 1.00 0.00 H new ATOM 810 N GLY A 53 -12.139 14.066 -4.668 1.00 0.00 N ATOM 811 CA GLY A 53 -10.951 14.567 -5.330 1.00 0.00 C ATOM 812 C GLY A 53 -9.877 14.979 -4.345 1.00 0.00 C ATOM 813 O GLY A 53 -9.006 15.787 -4.668 1.00 0.00 O ATOM 0 H GLY A 53 -12.346 13.083 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.556 13.799 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.217 15.421 -5.953 1.00 0.00 H new ATOM 817 N ARG A 54 -9.940 14.425 -3.139 1.00 0.00 N ATOM 818 CA ARG A 54 -8.968 14.741 -2.105 1.00 0.00 C ATOM 819 C ARG A 54 -8.745 13.547 -1.181 1.00 0.00 C ATOM 820 O ARG A 54 -7.606 13.182 -0.889 1.00 0.00 O ATOM 821 CB ARG A 54 -9.428 15.961 -1.304 1.00 0.00 C ATOM 822 CG ARG A 54 -10.608 15.683 -0.383 1.00 0.00 C ATOM 823 CD ARG A 54 -11.248 16.972 0.106 1.00 0.00 C ATOM 824 NE ARG A 54 -12.168 16.741 1.216 1.00 0.00 N ATOM 825 CZ ARG A 54 -12.781 17.713 1.887 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.576 18.984 1.563 1.00 0.00 N ATOM 827 NH2 ARG A 54 -13.603 17.415 2.883 1.00 0.00 N ATOM 0 H ARG A 54 -10.655 13.755 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.019 14.975 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.593 16.328 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.700 16.757 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.350 15.085 -0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.273 15.095 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.469 17.667 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.784 17.445 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.352 15.777 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.946 19.220 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.049 19.725 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.766 16.440 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.073 18.160 3.397 1.00 0.00 H new ATOM 841 N LYS A 55 -9.836 12.936 -0.731 1.00 0.00 N ATOM 842 CA LYS A 55 -9.752 11.777 0.148 1.00 0.00 C ATOM 843 C LYS A 55 -9.286 10.554 -0.635 1.00 0.00 C ATOM 844 O LYS A 55 -10.028 9.585 -0.799 1.00 0.00 O ATOM 845 CB LYS A 55 -11.110 11.504 0.799 1.00 0.00 C ATOM 846 CG LYS A 55 -11.075 10.398 1.844 1.00 0.00 C ATOM 847 CD LYS A 55 -10.053 10.689 2.931 1.00 0.00 C ATOM 848 CE LYS A 55 -10.366 11.987 3.661 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.230 11.841 5.137 1.00 0.00 N ATOM 0 H LYS A 55 -10.787 13.224 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.026 11.987 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.471 12.421 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.828 11.237 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.063 10.288 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.836 9.449 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.035 9.865 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.058 10.750 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.695 12.771 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.381 12.304 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.452 12.747 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.888 11.110 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.255 11.564 5.370 1.00 0.00 H new ATOM 863 N THR A 56 -8.054 10.616 -1.127 1.00 0.00 N ATOM 864 CA THR A 56 -7.480 9.528 -1.908 1.00 0.00 C ATOM 865 C THR A 56 -7.102 8.347 -1.021 1.00 0.00 C ATOM 866 O THR A 56 -6.776 8.515 0.153 1.00 0.00 O ATOM 867 CB THR A 56 -6.250 10.023 -2.670 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.213 11.439 -2.703 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.189 9.532 -4.100 1.00 0.00 C ATOM 0 H THR A 56 -7.431 11.413 -0.998 1.00 0.00 H new ATOM 0 HA THR A 56 -8.234 9.189 -2.618 1.00 0.00 H new ATOM 0 HB THR A 56 -5.397 9.617 -2.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.346 11.736 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.291 9.921 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.162 8.442 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.069 9.878 -4.641 1.00 0.00 H new ATOM 877 N LEU A 57 -7.147 7.151 -1.598 1.00 0.00 N ATOM 878 CA LEU A 57 -6.806 5.934 -0.873 1.00 0.00 C ATOM 879 C LEU A 57 -6.234 4.887 -1.828 1.00 0.00 C ATOM 880 O LEU A 57 -6.938 3.973 -2.257 1.00 0.00 O ATOM 881 CB LEU A 57 -8.044 5.380 -0.164 1.00 0.00 C ATOM 882 CG LEU A 57 -8.154 5.741 1.319 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.507 5.317 1.871 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.027 5.095 2.109 1.00 0.00 C ATOM 0 H LEU A 57 -7.418 6.999 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.049 6.174 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.933 5.745 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.044 4.294 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.066 6.823 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.568 5.581 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.299 5.827 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.624 4.239 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.121 5.362 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.083 4.012 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.068 5.447 1.729 1.00 0.00 H new ATOM 896 N THR A 58 -4.956 5.035 -2.163 1.00 0.00 N ATOM 897 CA THR A 58 -4.288 4.111 -3.076 1.00 0.00 C ATOM 898 C THR A 58 -4.310 2.684 -2.538 1.00 0.00 C ATOM 899 O THR A 58 -3.840 2.422 -1.433 1.00 0.00 O ATOM 900 CB THR A 58 -2.843 4.553 -3.312 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.796 5.884 -3.794 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.105 3.679 -4.303 1.00 0.00 C ATOM 0 H THR A 58 -4.361 5.787 -1.816 1.00 0.00 H new ATOM 0 HA THR A 58 -4.831 4.127 -4.021 1.00 0.00 H new ATOM 0 HB THR A 58 -2.354 4.468 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.020 6.503 -3.068 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.086 4.047 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.079 2.653 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.618 3.706 -5.264 1.00 0.00 H new ATOM 910 N THR A 59 -4.851 1.763 -3.329 1.00 0.00 N ATOM 911 CA THR A 59 -4.922 0.363 -2.926 1.00 0.00 C ATOM 912 C THR A 59 -3.856 -0.465 -3.636 1.00 0.00 C ATOM 913 O THR A 59 -3.313 -0.051 -4.659 1.00 0.00 O ATOM 914 CB THR A 59 -6.308 -0.215 -3.220 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.970 0.545 -4.214 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.203 -0.260 -2.003 1.00 0.00 C ATOM 0 H THR A 59 -5.245 1.960 -4.249 1.00 0.00 H new ATOM 0 HA THR A 59 -4.740 0.318 -1.852 1.00 0.00 H new ATOM 0 HB THR A 59 -6.130 -1.235 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.592 1.171 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.171 -0.680 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.743 -0.882 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.342 0.750 -1.616 1.00 0.00 H new ATOM 924 N VAL A 60 -3.566 -1.638 -3.085 1.00 0.00 N ATOM 925 CA VAL A 60 -2.570 -2.529 -3.665 1.00 0.00 C ATOM 926 C VAL A 60 -3.131 -3.932 -3.846 1.00 0.00 C ATOM 927 O VAL A 60 -3.486 -4.601 -2.874 1.00 0.00 O ATOM 928 CB VAL A 60 -1.302 -2.606 -2.796 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.207 -3.380 -3.517 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.826 -1.210 -2.430 1.00 0.00 C ATOM 0 H VAL A 60 -4.007 -1.994 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.307 -2.114 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.543 -3.137 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.682 -3.424 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.554 -4.392 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.036 -2.879 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.071 -1.281 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.600 -0.653 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.607 -0.694 -1.873 1.00 0.00 H new ATOM 940 N GLN A 61 -3.208 -4.371 -5.097 1.00 0.00 N ATOM 941 CA GLN A 61 -3.724 -5.696 -5.415 1.00 0.00 C ATOM 942 C GLN A 61 -2.612 -6.592 -5.945 1.00 0.00 C ATOM 943 O GLN A 61 -1.630 -6.110 -6.507 1.00 0.00 O ATOM 944 CB GLN A 61 -4.851 -5.595 -6.441 1.00 0.00 C ATOM 945 CG GLN A 61 -6.010 -6.539 -6.166 1.00 0.00 C ATOM 946 CD GLN A 61 -6.601 -7.123 -7.435 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.967 -8.298 -7.479 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.697 -6.303 -8.475 1.00 0.00 N ATOM 0 H GLN A 61 -2.919 -3.826 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.119 -6.138 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.224 -4.571 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.449 -5.806 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.669 -7.350 -5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.787 -6.004 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.381 -5.337 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.087 -6.640 -9.356 1.00 0.00 H new ATOM 957 N GLY A 62 -2.772 -7.898 -5.766 1.00 0.00 N ATOM 958 CA GLY A 62 -1.769 -8.836 -6.232 1.00 0.00 C ATOM 959 C GLY A 62 -0.860 -9.313 -5.117 1.00 0.00 C ATOM 960 O GLY A 62 -0.542 -10.499 -5.030 1.00 0.00 O ATOM 0 H GLY A 62 -3.577 -8.323 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.262 -9.695 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.168 -8.365 -7.010 1.00 0.00 H new ATOM 964 N ILE A 63 -0.442 -8.385 -4.259 1.00 0.00 N ATOM 965 CA ILE A 63 0.435 -8.711 -3.137 1.00 0.00 C ATOM 966 C ILE A 63 -0.083 -9.930 -2.375 1.00 0.00 C ATOM 967 O ILE A 63 -1.290 -10.140 -2.260 1.00 0.00 O ATOM 968 CB ILE A 63 0.580 -7.503 -2.175 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.455 -6.394 -2.794 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.149 -7.929 -0.826 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.193 -6.794 -4.057 1.00 0.00 C ATOM 0 H ILE A 63 -0.697 -7.399 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 63 1.418 -8.948 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.421 -7.102 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.823 -5.534 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.184 -6.070 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.237 -7.058 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.484 -8.659 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.133 -8.375 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.781 -5.950 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.856 -7.632 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.474 -7.088 -4.821 1.00 0.00 H new ATOM 983 N ALA A 64 0.845 -10.733 -1.867 1.00 0.00 N ATOM 984 CA ALA A 64 0.494 -11.939 -1.126 1.00 0.00 C ATOM 985 C ALA A 64 0.136 -11.621 0.323 1.00 0.00 C ATOM 986 O ALA A 64 0.476 -10.556 0.839 1.00 0.00 O ATOM 987 CB ALA A 64 1.640 -12.940 -1.181 1.00 0.00 C ATOM 0 H ALA A 64 1.848 -10.570 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.386 -12.377 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.367 -13.837 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.842 -13.205 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.532 -12.496 -0.739 1.00 0.00 H new ATOM 993 N ASP A 65 -0.550 -12.556 0.971 1.00 0.00 N ATOM 994 CA ASP A 65 -0.955 -12.385 2.362 1.00 0.00 C ATOM 995 C ASP A 65 0.204 -12.673 3.313 1.00 0.00 C ATOM 996 O ASP A 65 0.144 -12.338 4.496 1.00 0.00 O ATOM 997 CB ASP A 65 -2.134 -13.304 2.687 1.00 0.00 C ATOM 998 CG ASP A 65 -3.355 -13.000 1.840 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.424 -11.889 1.273 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.243 -13.873 1.744 1.00 0.00 O ATOM 0 H ASP A 65 -0.838 -13.442 0.555 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.260 -11.347 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.836 -14.341 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.392 -13.201 3.741 1.00 0.00 H new ATOM 1005 N ASP A 66 1.261 -13.294 2.792 1.00 0.00 N ATOM 1006 CA ASP A 66 2.429 -13.622 3.602 1.00 0.00 C ATOM 1007 C ASP A 66 3.494 -12.534 3.493 1.00 0.00 C ATOM 1008 O ASP A 66 4.684 -12.800 3.664 1.00 0.00 O ATOM 1009 CB ASP A 66 3.014 -14.968 3.170 1.00 0.00 C ATOM 1010 CG ASP A 66 2.020 -16.104 3.317 1.00 0.00 C ATOM 1011 OD1 ASP A 66 1.074 -16.175 2.505 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.189 -16.924 4.245 1.00 0.00 O ATOM 0 H ASP A 66 1.331 -13.579 1.815 1.00 0.00 H new ATOM 0 HA ASP A 66 2.109 -13.688 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.337 -14.904 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.900 -15.184 3.767 1.00 0.00 H new ATOM 1017 N TYR A 67 3.062 -11.309 3.208 1.00 0.00 N ATOM 1018 CA TYR A 67 3.978 -10.184 3.078 1.00 0.00 C ATOM 1019 C TYR A 67 4.146 -9.451 4.404 1.00 0.00 C ATOM 1020 O TYR A 67 4.575 -8.297 4.434 1.00 0.00 O ATOM 1021 CB TYR A 67 3.459 -9.210 2.023 1.00 0.00 C ATOM 1022 CG TYR A 67 3.878 -9.542 0.610 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.171 -10.846 0.225 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.974 -8.543 -0.342 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.550 -11.136 -1.073 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.349 -8.821 -1.638 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.637 -10.120 -2.001 1.00 0.00 C ATOM 1028 OH TYR A 67 5.014 -10.402 -3.294 1.00 0.00 O ATOM 0 H TYR A 67 2.081 -11.071 3.063 1.00 0.00 H new ATOM 0 HA TYR A 67 4.949 -10.576 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.370 -9.187 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.810 -8.207 2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.102 -11.643 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.750 -7.524 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.777 -12.153 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.417 -8.026 -2.366 1.00 0.00 H new ATOM 0 HH TYR A 67 5.665 -9.735 -3.598 1.00 0.00 H new ATOM 1038 N ASP A 68 3.804 -10.121 5.499 1.00 0.00 N ATOM 1039 CA ASP A 68 3.915 -9.523 6.825 1.00 0.00 C ATOM 1040 C ASP A 68 3.276 -8.137 6.852 1.00 0.00 C ATOM 1041 O ASP A 68 3.973 -7.123 6.820 1.00 0.00 O ATOM 1042 CB ASP A 68 5.383 -9.430 7.245 1.00 0.00 C ATOM 1043 CG ASP A 68 5.571 -9.622 8.737 1.00 0.00 C ATOM 1044 OD1 ASP A 68 5.487 -10.778 9.201 1.00 0.00 O ATOM 1045 OD2 ASP A 68 5.804 -8.617 9.440 1.00 0.00 O ATOM 0 H ASP A 68 3.448 -11.077 5.495 1.00 0.00 H new ATOM 0 HA ASP A 68 3.383 -10.162 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.960 -10.184 6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.780 -8.458 6.954 1.00 0.00 H new ATOM 1050 N LYS A 69 1.944 -8.105 6.906 1.00 0.00 N ATOM 1051 CA LYS A 69 1.196 -6.847 6.934 1.00 0.00 C ATOM 1052 C LYS A 69 1.887 -5.809 7.816 1.00 0.00 C ATOM 1053 O LYS A 69 1.837 -4.611 7.538 1.00 0.00 O ATOM 1054 CB LYS A 69 -0.229 -7.088 7.438 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.954 -8.206 6.705 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.935 -9.502 7.502 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.269 -9.755 8.191 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.165 -9.616 9.670 1.00 0.00 N ATOM 0 H LYS A 69 1.358 -8.940 6.931 1.00 0.00 H new ATOM 0 HA LYS A 69 1.159 -6.460 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.194 -7.325 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.802 -6.167 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.986 -7.909 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.486 -8.368 5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.704 -10.335 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.142 -9.460 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.012 -9.054 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.621 -10.757 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.094 -9.796 10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.475 -10.302 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.854 -8.652 9.907 1.00 0.00 H new ATOM 1072 N LYS A 70 2.537 -6.281 8.874 1.00 0.00 N ATOM 1073 CA LYS A 70 3.246 -5.397 9.790 1.00 0.00 C ATOM 1074 C LYS A 70 4.422 -4.728 9.087 1.00 0.00 C ATOM 1075 O LYS A 70 4.571 -3.508 9.128 1.00 0.00 O ATOM 1076 CB LYS A 70 3.737 -6.180 11.010 1.00 0.00 C ATOM 1077 CG LYS A 70 3.364 -5.541 12.337 1.00 0.00 C ATOM 1078 CD LYS A 70 3.323 -6.567 13.458 1.00 0.00 C ATOM 1079 CE LYS A 70 2.189 -6.284 14.429 1.00 0.00 C ATOM 1080 NZ LYS A 70 1.839 -7.483 15.240 1.00 0.00 N ATOM 0 H LYS A 70 2.587 -7.270 9.118 1.00 0.00 H new ATOM 0 HA LYS A 70 2.556 -4.622 10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.324 -7.188 10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.821 -6.277 10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.085 -4.762 12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.391 -5.058 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.202 -7.565 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.272 -6.561 13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.475 -5.468 15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.311 -5.952 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.061 -7.248 15.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.542 -8.254 14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.669 -7.785 15.789 1.00 0.00 H new ATOM 1094 N LYS A 71 5.254 -5.538 8.436 1.00 0.00 N ATOM 1095 CA LYS A 71 6.420 -5.027 7.721 1.00 0.00 C ATOM 1096 C LYS A 71 6.088 -4.717 6.261 1.00 0.00 C ATOM 1097 O LYS A 71 6.969 -4.719 5.402 1.00 0.00 O ATOM 1098 CB LYS A 71 7.566 -6.039 7.788 1.00 0.00 C ATOM 1099 CG LYS A 71 8.945 -5.404 7.689 1.00 0.00 C ATOM 1100 CD LYS A 71 9.870 -6.213 6.792 1.00 0.00 C ATOM 1101 CE LYS A 71 11.246 -6.387 7.419 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.334 -5.949 6.501 1.00 0.00 N ATOM 0 H LYS A 71 5.142 -6.551 8.389 1.00 0.00 H new ATOM 0 HA LYS A 71 6.726 -4.099 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.496 -6.593 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.449 -6.762 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.853 -4.391 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.381 -5.323 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.429 -7.192 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.969 -5.716 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.299 -5.813 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.394 -7.434 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.255 -6.084 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.300 -6.514 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.208 -4.943 6.268 1.00 0.00 H new ATOM 1116 N LEU A 72 4.815 -4.447 5.988 1.00 0.00 N ATOM 1117 CA LEU A 72 4.369 -4.130 4.636 1.00 0.00 C ATOM 1118 C LEU A 72 3.842 -2.700 4.573 1.00 0.00 C ATOM 1119 O LEU A 72 4.246 -1.917 3.714 1.00 0.00 O ATOM 1120 CB LEU A 72 3.285 -5.118 4.195 1.00 0.00 C ATOM 1121 CG LEU A 72 3.095 -5.255 2.681 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.922 -6.174 2.379 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.884 -3.888 2.048 1.00 0.00 C ATOM 0 H LEU A 72 4.073 -4.442 6.687 1.00 0.00 H new ATOM 0 HA LEU A 72 5.218 -4.215 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.524 -6.100 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.337 -4.811 4.636 1.00 0.00 H new ATOM 0 HG LEU A 72 3.996 -5.695 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.798 -6.263 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.113 -7.159 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.013 -5.760 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.751 -4.002 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.997 -3.422 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.753 -3.259 2.241 1.00 0.00 H new ATOM 1135 N VAL A 73 2.946 -2.364 5.496 1.00 0.00 N ATOM 1136 CA VAL A 73 2.375 -1.022 5.551 1.00 0.00 C ATOM 1137 C VAL A 73 3.148 -0.142 6.526 1.00 0.00 C ATOM 1138 O VAL A 73 3.334 1.051 6.285 1.00 0.00 O ATOM 1139 CB VAL A 73 0.887 -1.033 5.959 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.001 -1.201 4.735 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.606 -2.122 6.985 1.00 0.00 C ATOM 0 H VAL A 73 2.600 -3.000 6.214 1.00 0.00 H new ATOM 0 HA VAL A 73 2.452 -0.616 4.543 1.00 0.00 H new ATOM 0 HB VAL A 73 0.657 -0.073 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.047 -1.207 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.170 -0.375 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.237 -2.142 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.450 -2.105 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.858 -3.094 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.209 -1.947 7.876 1.00 0.00 H new ATOM 1151 N LYS A 74 3.608 -0.737 7.626 1.00 0.00 N ATOM 1152 CA LYS A 74 4.370 0.003 8.625 1.00 0.00 C ATOM 1153 C LYS A 74 5.594 0.644 7.986 1.00 0.00 C ATOM 1154 O LYS A 74 5.933 1.791 8.276 1.00 0.00 O ATOM 1155 CB LYS A 74 4.802 -0.920 9.762 1.00 0.00 C ATOM 1156 CG LYS A 74 5.277 -0.178 11.002 1.00 0.00 C ATOM 1157 CD LYS A 74 6.310 -0.984 11.773 1.00 0.00 C ATOM 1158 CE LYS A 74 7.703 -0.815 11.185 1.00 0.00 C ATOM 1159 NZ LYS A 74 8.161 -2.044 10.480 1.00 0.00 N ATOM 0 H LYS A 74 3.466 -1.723 7.845 1.00 0.00 H new ATOM 0 HA LYS A 74 3.731 0.786 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.966 -1.565 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.603 -1.569 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.706 0.781 10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.425 0.036 11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.314 -0.669 12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.034 -2.038 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.704 0.024 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.406 -0.570 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.722 -1.777 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.747 -2.615 11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.335 -2.600 10.179 1.00 0.00 H new ATOM 1173 N ALA A 75 6.245 -0.105 7.102 1.00 0.00 N ATOM 1174 CA ALA A 75 7.424 0.391 6.408 1.00 0.00 C ATOM 1175 C ALA A 75 7.059 1.576 5.520 1.00 0.00 C ATOM 1176 O ALA A 75 7.883 2.456 5.268 1.00 0.00 O ATOM 1177 CB ALA A 75 8.061 -0.718 5.584 1.00 0.00 C ATOM 0 H ALA A 75 5.975 -1.056 6.851 1.00 0.00 H new ATOM 0 HA ALA A 75 8.148 0.727 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.941 -0.331 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.355 -1.537 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.344 -1.083 4.848 1.00 0.00 H new ATOM 1183 N PHE A 76 5.812 1.594 5.057 1.00 0.00 N ATOM 1184 CA PHE A 76 5.328 2.671 4.205 1.00 0.00 C ATOM 1185 C PHE A 76 5.324 3.993 4.966 1.00 0.00 C ATOM 1186 O PHE A 76 5.837 5.002 4.481 1.00 0.00 O ATOM 1187 CB PHE A 76 3.918 2.353 3.699 1.00 0.00 C ATOM 1188 CG PHE A 76 3.596 2.997 2.382 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.035 2.434 1.194 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.860 4.169 2.331 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.745 3.027 -0.018 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.568 4.768 1.120 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.012 4.196 -0.056 1.00 0.00 C ATOM 0 H PHE A 76 5.119 0.873 5.259 1.00 0.00 H new ATOM 0 HA PHE A 76 5.998 2.762 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.810 1.273 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.191 2.681 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.611 1.521 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.510 4.620 3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.091 2.577 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.993 5.682 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.786 4.662 -1.004 1.00 0.00 H new ATOM 1203 N LYS A 77 4.747 3.977 6.164 1.00 0.00 N ATOM 1204 CA LYS A 77 4.681 5.171 7.001 1.00 0.00 C ATOM 1205 C LYS A 77 6.079 5.643 7.399 1.00 0.00 C ATOM 1206 O LYS A 77 6.262 6.781 7.829 1.00 0.00 O ATOM 1207 CB LYS A 77 3.853 4.894 8.257 1.00 0.00 C ATOM 1208 CG LYS A 77 2.422 4.472 7.964 1.00 0.00 C ATOM 1209 CD LYS A 77 1.834 3.657 9.108 1.00 0.00 C ATOM 1210 CE LYS A 77 1.466 2.251 8.661 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.165 1.362 9.818 1.00 0.00 N ATOM 0 H LYS A 77 4.318 3.149 6.578 1.00 0.00 H new ATOM 0 HA LYS A 77 4.203 5.960 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.341 4.112 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.839 5.790 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.809 5.357 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.396 3.884 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.554 3.603 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.948 4.160 9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.599 2.295 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.286 1.828 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.919 0.413 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.000 1.300 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.366 1.752 10.357 1.00 0.00 H new ATOM 1225 N LYS A 78 7.065 4.762 7.258 1.00 0.00 N ATOM 1226 CA LYS A 78 8.440 5.097 7.605 1.00 0.00 C ATOM 1227 C LYS A 78 9.183 5.680 6.406 1.00 0.00 C ATOM 1228 O LYS A 78 10.201 6.353 6.564 1.00 0.00 O ATOM 1229 CB LYS A 78 9.173 3.855 8.112 1.00 0.00 C ATOM 1230 CG LYS A 78 10.185 4.151 9.208 1.00 0.00 C ATOM 1231 CD LYS A 78 11.314 5.031 8.699 1.00 0.00 C ATOM 1232 CE LYS A 78 12.580 4.843 9.519 1.00 0.00 C ATOM 1233 NZ LYS A 78 13.543 3.924 8.853 1.00 0.00 N ATOM 0 H LYS A 78 6.937 3.813 6.907 1.00 0.00 H new ATOM 0 HA LYS A 78 8.414 5.849 8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.442 3.140 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.684 3.378 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.686 4.644 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.595 3.216 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.518 4.796 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.007 6.076 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.055 5.811 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.321 4.447 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.392 3.823 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.100 2.992 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.811 4.314 7.927 1.00 0.00 H new ATOM 1247 N LYS A 79 8.672 5.412 5.208 1.00 0.00 N ATOM 1248 CA LYS A 79 9.296 5.905 3.985 1.00 0.00 C ATOM 1249 C LYS A 79 8.604 7.166 3.473 1.00 0.00 C ATOM 1250 O LYS A 79 9.262 8.149 3.134 1.00 0.00 O ATOM 1251 CB LYS A 79 9.268 4.821 2.906 1.00 0.00 C ATOM 1252 CG LYS A 79 10.603 4.628 2.205 1.00 0.00 C ATOM 1253 CD LYS A 79 10.426 4.025 0.819 1.00 0.00 C ATOM 1254 CE LYS A 79 11.137 4.847 -0.244 1.00 0.00 C ATOM 1255 NZ LYS A 79 10.638 6.250 -0.291 1.00 0.00 N ATOM 0 H LYS A 79 7.829 4.857 5.058 1.00 0.00 H new ATOM 0 HA LYS A 79 10.330 6.159 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.965 3.877 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.511 5.077 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.113 5.588 2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.240 3.979 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.814 3.007 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.364 3.963 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.208 4.850 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.996 4.379 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.909 6.685 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.602 6.253 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.055 6.793 0.492 1.00 0.00 H new ATOM 1269 N PHE A 80 7.276 7.129 3.405 1.00 0.00 N ATOM 1270 CA PHE A 80 6.505 8.271 2.918 1.00 0.00 C ATOM 1271 C PHE A 80 5.621 8.866 4.013 1.00 0.00 C ATOM 1272 O PHE A 80 5.165 10.003 3.899 1.00 0.00 O ATOM 1273 CB PHE A 80 5.638 7.862 1.723 1.00 0.00 C ATOM 1274 CG PHE A 80 6.222 6.746 0.904 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.116 5.431 1.326 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.877 7.014 -0.288 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.652 4.402 0.576 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.415 5.990 -1.042 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.304 4.682 -0.611 1.00 0.00 C ATOM 0 H PHE A 80 6.712 6.324 3.680 1.00 0.00 H new ATOM 0 HA PHE A 80 7.219 9.033 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.656 7.559 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.487 8.730 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.608 5.207 2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.967 8.034 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.562 3.381 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.923 6.212 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.725 3.880 -1.200 1.00 0.00 H new ATOM 1289 N ALA A 81 5.373 8.094 5.068 1.00 0.00 N ATOM 1290 CA ALA A 81 4.535 8.556 6.171 1.00 0.00 C ATOM 1291 C ALA A 81 3.068 8.590 5.760 1.00 0.00 C ATOM 1292 O ALA A 81 2.339 9.526 6.089 1.00 0.00 O ATOM 1293 CB ALA A 81 4.986 9.929 6.649 1.00 0.00 C ATOM 0 H ALA A 81 5.739 7.149 5.182 1.00 0.00 H new ATOM 0 HA ALA A 81 4.642 7.851 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.349 10.255 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.020 9.874 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.913 10.642 5.828 1.00 0.00 H new ATOM 1299 N CYS A 82 2.641 7.559 5.037 1.00 0.00 N ATOM 1300 CA CYS A 82 1.261 7.465 4.578 1.00 0.00 C ATOM 1301 C CYS A 82 0.507 6.378 5.338 1.00 0.00 C ATOM 1302 O CYS A 82 1.085 5.363 5.725 1.00 0.00 O ATOM 1303 CB CYS A 82 1.220 7.174 3.077 1.00 0.00 C ATOM 1304 SG CYS A 82 1.160 8.655 2.041 1.00 0.00 S ATOM 0 H CYS A 82 3.232 6.777 4.757 1.00 0.00 H new ATOM 0 HA CYS A 82 0.775 8.422 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.099 6.590 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.348 6.557 2.861 1.00 0.00 H new ATOM 0 HG CYS A 82 1.818 8.442 0.940 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.786 6.599 5.549 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.619 5.641 6.265 1.00 0.00 C ATOM 1312 C ASN A 83 -1.823 4.372 5.442 1.00 0.00 C ATOM 1313 O ASN A 83 -2.601 4.358 4.488 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.972 6.269 6.608 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.240 6.287 8.100 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.339 5.966 8.549 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.231 6.666 8.876 1.00 0.00 N ATOM 0 H ASN A 83 -1.280 7.434 5.234 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.108 5.370 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.004 7.289 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.765 5.714 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.351 6.699 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.336 6.924 8.460 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.121 3.309 5.820 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.239 2.050 5.107 1.00 0.00 C ATOM 1326 C GLY A 84 -2.119 1.053 5.835 1.00 0.00 C ATOM 1327 O GLY A 84 -1.724 0.498 6.860 1.00 0.00 O ATOM 0 H GLY A 84 -0.472 3.297 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.649 2.235 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.247 1.621 4.967 1.00 0.00 H new ATOM 1331 N THR A 85 -3.317 0.828 5.307 1.00 0.00 N ATOM 1332 CA THR A 85 -4.258 -0.110 5.918 1.00 0.00 C ATOM 1333 C THR A 85 -4.373 -1.388 5.092 1.00 0.00 C ATOM 1334 O THR A 85 -3.998 -1.418 3.924 1.00 0.00 O ATOM 1335 CB THR A 85 -5.635 0.540 6.065 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.190 0.832 4.795 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.607 1.828 6.860 1.00 0.00 C ATOM 0 H THR A 85 -3.661 1.280 4.460 1.00 0.00 H new ATOM 0 HA THR A 85 -3.878 -0.372 6.906 1.00 0.00 H new ATOM 0 HB THR A 85 -6.242 -0.188 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.519 1.282 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.615 2.237 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.230 1.628 7.863 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.956 2.548 6.364 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.896 -2.444 5.710 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.061 -3.727 5.030 1.00 0.00 C ATOM 1347 C VAL A 86 -6.544 -4.072 4.870 1.00 0.00 C ATOM 1348 O VAL A 86 -7.048 -5.001 5.502 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.353 -4.861 5.800 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.950 -5.027 7.191 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.424 -6.166 5.020 1.00 0.00 C ATOM 0 H VAL A 86 -5.213 -2.437 6.680 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.606 -3.632 4.044 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.303 -4.590 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.435 -5.832 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.834 -4.098 7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.009 -5.269 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.919 -6.953 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.467 -6.442 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.937 -6.039 4.053 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.241 -3.314 4.028 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.666 -3.540 3.799 1.00 0.00 C ATOM 1363 C ILE A 87 -8.908 -4.775 2.938 1.00 0.00 C ATOM 1364 O ILE A 87 -8.042 -5.192 2.169 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.333 -2.325 3.120 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.752 -2.100 1.720 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.163 -1.078 3.973 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.808 -1.873 0.659 1.00 0.00 C ATOM 0 H ILE A 87 -6.845 -2.540 3.494 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.112 -3.693 4.782 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.398 -2.533 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.083 -1.240 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.149 -2.964 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.639 -0.231 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.626 -1.237 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.101 -0.870 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.326 -1.721 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.463 -2.743 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.396 -0.992 0.914 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.102 -5.346 3.064 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.476 -6.522 2.293 1.00 0.00 C ATOM 1382 C GLU A 88 -11.525 -6.154 1.250 1.00 0.00 C ATOM 1383 O GLU A 88 -12.705 -6.474 1.397 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.015 -7.615 3.215 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.861 -9.013 2.644 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.538 -10.070 3.493 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.760 -9.813 4.695 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.848 -11.154 2.957 1.00 0.00 O ATOM 0 H GLU A 88 -10.828 -5.010 3.696 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.589 -6.900 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.496 -7.562 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.070 -7.425 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.280 -9.038 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.801 -9.249 2.554 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.086 -5.468 0.200 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.981 -5.039 -0.868 1.00 0.00 C ATOM 1397 C HIS A 89 -12.761 -6.219 -1.447 1.00 0.00 C ATOM 1398 O HIS A 89 -12.191 -7.273 -1.725 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.182 -4.351 -1.975 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.925 -3.238 -2.645 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.423 -3.334 -3.926 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.259 -2.002 -2.204 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.032 -2.206 -4.246 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.946 -1.382 -3.218 1.00 0.00 N ATOM 0 H HIS A 89 -10.112 -5.196 0.066 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.697 -4.334 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.257 -3.957 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.901 -5.092 -2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.028 -1.583 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.517 -1.994 -5.187 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.328 -0.437 -3.183 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.084 -6.055 -1.639 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.936 -7.109 -2.191 1.00 0.00 C ATOM 1415 C PRO A 90 -14.795 -7.236 -3.705 1.00 0.00 C ATOM 1416 O PRO A 90 -15.190 -8.243 -4.293 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.342 -6.641 -1.824 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.246 -5.156 -1.807 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.851 -4.829 -1.337 1.00 0.00 C ATOM 0 HA PRO A 90 -14.679 -8.093 -1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.077 -6.983 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.650 -7.030 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.429 -4.743 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.992 -4.725 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.445 -3.963 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.831 -4.596 -0.272 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.225 -6.209 -4.331 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.030 -6.203 -5.774 1.00 0.00 C ATOM 1429 C GLU A 91 -12.743 -6.932 -6.152 1.00 0.00 C ATOM 1430 O GLU A 91 -12.599 -7.416 -7.275 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.989 -4.765 -6.291 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.130 -4.423 -7.233 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.491 -4.718 -6.632 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.933 -5.883 -6.712 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.112 -3.786 -6.081 1.00 0.00 O ATOM 0 H GLU A 91 -13.890 -5.370 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.868 -6.726 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.013 -4.082 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.042 -4.600 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.075 -3.367 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.015 -4.989 -8.158 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.807 -7.000 -5.209 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.529 -7.662 -5.447 1.00 0.00 C ATOM 1444 C TYR A 92 -10.300 -8.783 -4.441 1.00 0.00 C ATOM 1445 O TYR A 92 -10.032 -9.925 -4.818 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.388 -6.647 -5.368 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.764 -5.278 -5.888 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.441 -5.138 -7.092 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.454 -4.129 -5.171 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.795 -3.891 -7.571 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.806 -2.879 -5.643 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.476 -2.765 -6.843 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.828 -1.522 -7.315 1.00 0.00 O ATOM 0 H TYR A 92 -11.910 -6.605 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.552 -8.098 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.063 -6.557 -4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.538 -7.023 -5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.695 -6.018 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.930 -4.214 -4.231 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.319 -3.799 -8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.557 -1.995 -5.075 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.530 -0.835 -6.682 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.409 -8.452 -3.160 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.212 -9.443 -2.119 1.00 0.00 C ATOM 1465 C GLY A 93 -8.865 -9.309 -1.435 1.00 0.00 C ATOM 1466 O GLY A 93 -7.850 -9.778 -1.950 1.00 0.00 O ATOM 0 H GLY A 93 -10.630 -7.515 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.004 -9.347 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.299 -10.440 -2.550 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.859 -8.670 -0.270 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.631 -8.476 0.492 1.00 0.00 C ATOM 1472 C GLU A 94 -6.651 -7.577 -0.256 1.00 0.00 C ATOM 1473 O GLU A 94 -5.876 -8.043 -1.089 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.971 -9.825 0.794 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.947 -9.764 1.916 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.414 -10.475 3.171 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.640 -10.658 3.329 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.554 -10.848 3.996 1.00 0.00 O ATOM 0 H GLU A 94 -9.692 -8.277 0.168 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.897 -7.988 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.744 -10.547 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.486 -10.193 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.013 -10.212 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.733 -8.721 2.152 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.690 -6.285 0.056 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.803 -5.316 -0.577 1.00 0.00 C ATOM 1487 C VAL A 95 -5.376 -4.246 0.421 1.00 0.00 C ATOM 1488 O VAL A 95 -6.150 -3.859 1.296 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.476 -4.636 -1.785 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.674 -5.631 -2.917 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.800 -4.009 -1.376 1.00 0.00 C ATOM 0 H VAL A 95 -7.328 -5.885 0.744 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.928 -5.864 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.821 -3.842 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.151 -5.132 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.707 -6.026 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.307 -6.450 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.260 -3.534 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.465 -4.782 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.625 -3.262 -0.602 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.145 -3.770 0.288 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.630 -2.744 1.185 1.00 0.00 C ATOM 1503 C ILE A 96 -4.093 -1.362 0.740 1.00 0.00 C ATOM 1504 O ILE A 96 -3.943 -0.990 -0.423 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.087 -2.805 1.276 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.681 -3.847 2.323 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.487 -1.440 1.608 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.854 -3.380 3.753 1.00 0.00 C ATOM 0 H ILE A 96 -3.487 -4.076 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.029 -2.935 2.181 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.694 -3.097 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.273 -4.749 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.638 -4.120 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.402 -1.523 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.757 -0.725 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.874 -1.096 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.546 -4.173 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.240 -2.496 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.901 -3.135 3.932 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.670 -0.616 1.675 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.181 0.719 1.389 1.00 0.00 C ATOM 1522 C GLN A 97 -4.265 1.805 1.945 1.00 0.00 C ATOM 1523 O GLN A 97 -4.187 2.006 3.157 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.586 0.881 1.980 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.672 1.089 0.936 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.010 1.450 1.551 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -10.028 0.820 1.264 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.017 2.470 2.402 1.00 0.00 N ATOM 0 H GLN A 97 -4.796 -0.915 2.642 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.220 0.832 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.826 -0.004 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.586 1.729 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.366 1.880 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.781 0.180 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.150 2.965 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.889 2.758 2.846 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.598 2.520 1.048 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.714 3.608 1.443 1.00 0.00 C ATOM 1539 C LEU A 98 -3.468 4.928 1.363 1.00 0.00 C ATOM 1540 O LEU A 98 -4.462 5.034 0.650 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.480 3.663 0.543 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.693 2.357 0.433 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.009 2.263 -0.923 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.329 2.254 1.558 1.00 0.00 C ATOM 0 H LEU A 98 -3.653 2.366 0.041 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.383 3.433 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.793 3.965 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.813 4.440 0.916 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.389 1.524 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.547 1.328 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.760 2.292 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.677 3.102 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.880 1.318 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.023 3.092 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.184 2.278 2.519 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.999 5.927 2.093 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.650 7.233 2.091 1.00 0.00 C ATOM 1558 C GLN A 99 -3.030 8.155 1.044 1.00 0.00 C ATOM 1559 O GLN A 99 -1.812 8.182 0.868 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.561 7.874 3.477 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.915 8.104 4.129 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.575 9.385 3.662 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.291 10.468 4.175 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.465 9.270 2.683 1.00 0.00 N ATOM 0 H GLN A 99 -2.176 5.863 2.692 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.699 7.085 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.959 7.237 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.040 8.828 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.569 7.261 3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.792 8.136 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.671 8.353 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.943 10.098 2.328 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.880 8.908 0.352 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.402 9.822 -0.669 1.00 0.00 C ATOM 1575 C GLY A 100 -3.012 9.109 -1.950 1.00 0.00 C ATOM 1576 O GLY A 100 -2.987 7.879 -1.999 1.00 0.00 O ATOM 0 H GLY A 100 -4.892 8.901 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.178 10.556 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.542 10.371 -0.286 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.698 9.882 -2.985 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.296 9.315 -4.268 1.00 0.00 C ATOM 1582 C ASP A 101 -0.879 8.757 -4.185 1.00 0.00 C ATOM 1583 O ASP A 101 0.098 9.487 -4.355 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.378 10.375 -5.368 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.557 11.608 -5.043 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.562 12.033 -3.869 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.909 12.147 -5.964 1.00 0.00 O ATOM 0 H ASP A 101 -2.714 10.902 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.979 8.501 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.030 9.947 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.419 10.663 -5.515 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.776 7.461 -3.917 1.00 0.00 N ATOM 1593 CA GLN A 102 0.516 6.798 -3.803 1.00 0.00 C ATOM 1594 C GLN A 102 0.808 5.946 -5.033 1.00 0.00 C ATOM 1595 O GLN A 102 1.761 5.170 -5.045 1.00 0.00 O ATOM 1596 CB GLN A 102 0.545 5.921 -2.548 1.00 0.00 C ATOM 1597 CG GLN A 102 1.240 6.565 -1.359 1.00 0.00 C ATOM 1598 CD GLN A 102 0.866 8.023 -1.172 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.709 8.851 -0.824 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.400 8.344 -1.401 1.00 0.00 N ATOM 0 H GLN A 102 -1.577 6.846 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 102 1.285 7.567 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.479 5.673 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.047 4.983 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.987 6.012 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.319 6.486 -1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.065 7.625 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.709 9.310 -1.290 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.015 6.089 -6.066 1.00 0.00 N ATOM 1610 CA ARG A 103 0.160 5.325 -7.296 1.00 0.00 C ATOM 1611 C ARG A 103 1.614 5.359 -7.766 1.00 0.00 C ATOM 1612 O ARG A 103 2.088 4.425 -8.413 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.755 5.874 -8.391 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.590 7.366 -8.628 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.393 7.832 -9.831 1.00 0.00 C ATOM 1616 NE ARG A 103 -2.080 9.095 -9.573 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.460 10.268 -9.470 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.141 10.345 -9.604 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.159 11.368 -9.230 1.00 0.00 N ATOM 0 H ARG A 103 -0.810 6.727 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.107 4.288 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.555 5.342 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.792 5.669 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.910 7.914 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.464 7.596 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.729 7.949 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.124 7.069 -10.097 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.094 9.077 -9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.403 9.502 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.328 11.247 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.172 11.316 -9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.684 12.267 -9.151 1.00 0.00 H new ATOM 1633 N LYS A 104 2.315 6.439 -7.436 1.00 0.00 N ATOM 1634 CA LYS A 104 3.712 6.589 -7.828 1.00 0.00 C ATOM 1635 C LYS A 104 4.653 6.225 -6.681 1.00 0.00 C ATOM 1636 O LYS A 104 5.822 5.913 -6.906 1.00 0.00 O ATOM 1637 CB LYS A 104 3.980 8.023 -8.286 1.00 0.00 C ATOM 1638 CG LYS A 104 5.350 8.215 -8.915 1.00 0.00 C ATOM 1639 CD LYS A 104 6.323 8.868 -7.948 1.00 0.00 C ATOM 1640 CE LYS A 104 5.976 10.329 -7.712 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.303 10.760 -6.324 1.00 0.00 N ATOM 0 H LYS A 104 1.940 7.221 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 104 3.903 5.904 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.215 8.315 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.885 8.692 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.744 7.249 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.257 8.831 -9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.310 8.332 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.336 8.793 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.520 10.951 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.914 10.485 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.052 11.762 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.765 10.184 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.321 10.635 -6.153 1.00 0.00 H new ATOM 1655 N ASN A 105 4.144 6.271 -5.453 1.00 0.00 N ATOM 1656 CA ASN A 105 4.951 5.948 -4.280 1.00 0.00 C ATOM 1657 C ASN A 105 4.876 4.460 -3.952 1.00 0.00 C ATOM 1658 O ASN A 105 5.877 3.851 -3.575 1.00 0.00 O ATOM 1659 CB ASN A 105 4.489 6.771 -3.076 1.00 0.00 C ATOM 1660 CG ASN A 105 5.190 8.112 -2.989 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.403 8.181 -2.794 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.426 9.190 -3.131 1.00 0.00 N ATOM 0 H ASN A 105 3.179 6.528 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 105 5.988 6.196 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.413 6.930 -3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.674 6.207 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.842 10.120 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.424 9.087 -3.291 1.00 0.00 H new ATOM 1669 N ILE A 106 3.688 3.878 -4.091 1.00 0.00 N ATOM 1670 CA ILE A 106 3.503 2.463 -3.800 1.00 0.00 C ATOM 1671 C ILE A 106 4.353 1.599 -4.728 1.00 0.00 C ATOM 1672 O ILE A 106 5.125 0.760 -4.265 1.00 0.00 O ATOM 1673 CB ILE A 106 2.021 2.043 -3.890 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.838 0.635 -3.322 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.517 2.117 -5.323 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.367 0.475 -1.910 1.00 0.00 C ATOM 0 H ILE A 106 2.845 4.362 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 106 3.831 2.305 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 106 1.430 2.739 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.778 0.383 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.343 -0.079 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.470 1.816 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.612 3.139 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.107 1.450 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.203 -0.549 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.434 0.695 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.845 1.163 -1.246 1.00 0.00 H new ATOM 1688 N CYS A 107 4.242 1.828 -6.037 1.00 0.00 N ATOM 1689 CA CYS A 107 5.044 1.082 -7.002 1.00 0.00 C ATOM 1690 C CYS A 107 6.517 1.270 -6.664 1.00 0.00 C ATOM 1691 O CYS A 107 7.342 0.375 -6.849 1.00 0.00 O ATOM 1692 CB CYS A 107 4.764 1.568 -8.425 1.00 0.00 C ATOM 1693 SG CYS A 107 4.802 3.367 -8.611 1.00 0.00 S ATOM 0 H CYS A 107 3.612 2.516 -6.448 1.00 0.00 H new ATOM 0 HA CYS A 107 4.783 0.025 -6.949 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.499 1.128 -9.099 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.786 1.202 -8.737 1.00 0.00 H new ATOM 0 HG CYS A 107 3.586 3.827 -8.631 1.00 0.00 H new ATOM 1699 N GLN A 108 6.817 2.452 -6.135 1.00 0.00 N ATOM 1700 CA GLN A 108 8.165 2.804 -5.723 1.00 0.00 C ATOM 1701 C GLN A 108 8.521 2.058 -4.439 1.00 0.00 C ATOM 1702 O GLN A 108 9.671 1.674 -4.229 1.00 0.00 O ATOM 1703 CB GLN A 108 8.249 4.325 -5.528 1.00 0.00 C ATOM 1704 CG GLN A 108 9.395 4.800 -4.649 1.00 0.00 C ATOM 1705 CD GLN A 108 10.673 5.031 -5.430 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.008 6.166 -5.772 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.394 3.954 -5.716 1.00 0.00 N ATOM 0 H GLN A 108 6.130 3.190 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 108 8.883 2.513 -6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.342 4.797 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.311 4.673 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.106 5.725 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.579 4.062 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.078 3.033 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.264 4.047 -6.239 1.00 0.00 H new ATOM 1716 N PHE A 109 7.517 1.847 -3.592 1.00 0.00 N ATOM 1717 CA PHE A 109 7.708 1.138 -2.332 1.00 0.00 C ATOM 1718 C PHE A 109 7.870 -0.355 -2.583 1.00 0.00 C ATOM 1719 O PHE A 109 8.746 -1.002 -2.010 1.00 0.00 O ATOM 1720 CB PHE A 109 6.516 1.376 -1.405 1.00 0.00 C ATOM 1721 CG PHE A 109 6.650 0.703 -0.069 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.579 1.151 0.855 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.845 -0.376 0.264 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.705 0.537 2.087 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.967 -0.994 1.495 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.896 -0.536 2.407 1.00 0.00 C ATOM 0 H PHE A 109 6.560 2.159 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 109 8.612 1.519 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.394 2.448 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.609 1.019 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.213 1.990 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.115 -0.737 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.435 0.895 2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.336 -1.835 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.990 -1.016 3.370 1.00 0.00 H new ATOM 1736 N LEU A 110 7.015 -0.894 -3.446 1.00 0.00 N ATOM 1737 CA LEU A 110 7.052 -2.311 -3.783 1.00 0.00 C ATOM 1738 C LEU A 110 8.416 -2.695 -4.345 1.00 0.00 C ATOM 1739 O LEU A 110 8.864 -3.831 -4.194 1.00 0.00 O ATOM 1740 CB LEU A 110 5.954 -2.641 -4.797 1.00 0.00 C ATOM 1741 CG LEU A 110 4.585 -2.977 -4.196 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.240 -2.023 -3.062 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.509 -2.932 -5.271 1.00 0.00 C ATOM 0 H LEU A 110 6.285 -0.367 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 110 6.879 -2.886 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.838 -1.792 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.284 -3.485 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 110 4.632 -3.987 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.264 -2.283 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.994 -2.101 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.214 -1.001 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.542 -3.173 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.470 -1.933 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.742 -3.658 -6.050 1.00 0.00 H new ATOM 1755 N VAL A 111 9.071 -1.738 -4.989 1.00 0.00 N ATOM 1756 CA VAL A 111 10.386 -1.972 -5.569 1.00 0.00 C ATOM 1757 C VAL A 111 11.492 -1.594 -4.587 1.00 0.00 C ATOM 1758 O VAL A 111 12.570 -2.188 -4.592 1.00 0.00 O ATOM 1759 CB VAL A 111 10.567 -1.174 -6.874 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.912 -1.485 -7.518 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.427 -1.465 -7.839 1.00 0.00 C ATOM 0 H VAL A 111 8.713 -0.792 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 111 10.456 -3.037 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 111 10.548 -0.112 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.017 -0.910 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.715 -1.219 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.968 -2.549 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.571 -0.893 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.412 -2.529 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.480 -1.182 -7.380 1.00 0.00 H new ATOM 1771 N GLU A 112 11.215 -0.603 -3.746 1.00 0.00 N ATOM 1772 CA GLU A 112 12.186 -0.146 -2.756 1.00 0.00 C ATOM 1773 C GLU A 112 12.401 -1.201 -1.676 1.00 0.00 C ATOM 1774 O GLU A 112 13.528 -1.445 -1.246 1.00 0.00 O ATOM 1775 CB GLU A 112 11.718 1.161 -2.115 1.00 0.00 C ATOM 1776 CG GLU A 112 11.975 2.388 -2.974 1.00 0.00 C ATOM 1777 CD GLU A 112 13.105 3.247 -2.440 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.019 2.693 -1.795 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.075 4.476 -2.668 1.00 0.00 O ATOM 0 H GLU A 112 10.327 -0.101 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 112 13.133 0.025 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.650 1.091 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.222 1.287 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.212 2.073 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.065 2.985 -3.030 1.00 0.00 H new ATOM 1786 N ILE A 113 11.310 -1.822 -1.240 1.00 0.00 N ATOM 1787 CA ILE A 113 11.375 -2.848 -0.206 1.00 0.00 C ATOM 1788 C ILE A 113 11.513 -4.243 -0.812 1.00 0.00 C ATOM 1789 O ILE A 113 11.925 -5.186 -0.135 1.00 0.00 O ATOM 1790 CB ILE A 113 10.122 -2.810 0.701 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.914 -3.435 -0.008 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.815 -1.378 1.115 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.636 -3.380 0.801 1.00 0.00 C ATOM 0 H ILE A 113 10.370 -1.632 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 113 12.259 -2.634 0.395 1.00 0.00 H new ATOM 0 HB ILE A 113 10.329 -3.397 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.755 -2.922 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.140 -4.475 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.931 -1.365 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.664 -0.968 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.630 -0.774 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.827 -3.841 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.775 -3.919 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.384 -2.341 1.014 1.00 0.00 H new ATOM 1805 N GLY A 114 11.149 -4.372 -2.084 1.00 0.00 N ATOM 1806 CA GLY A 114 11.224 -5.658 -2.748 1.00 0.00 C ATOM 1807 C GLY A 114 9.940 -6.445 -2.584 1.00 0.00 C ATOM 1808 O GLY A 114 9.951 -7.676 -2.553 1.00 0.00 O ATOM 0 H GLY A 114 10.804 -3.608 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.428 -5.509 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.057 -6.231 -2.341 1.00 0.00 H new ATOM 1812 N LEU A 115 8.828 -5.724 -2.475 1.00 0.00 N ATOM 1813 CA LEU A 115 7.520 -6.343 -2.306 1.00 0.00 C ATOM 1814 C LEU A 115 7.035 -6.956 -3.615 1.00 0.00 C ATOM 1815 O LEU A 115 6.928 -8.176 -3.738 1.00 0.00 O ATOM 1816 CB LEU A 115 6.508 -5.308 -1.804 1.00 0.00 C ATOM 1817 CG LEU A 115 5.447 -5.844 -0.840 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.093 -6.633 0.291 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.605 -4.709 -0.281 1.00 0.00 C ATOM 0 H LEU A 115 8.809 -4.705 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 115 7.612 -7.140 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.052 -4.503 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.004 -4.869 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 115 4.794 -6.515 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.320 -7.004 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.648 -7.475 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.774 -5.986 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.857 -5.113 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.247 -4.010 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.106 -4.189 -1.099 1.00 0.00 H new ATOM 1831 N ALA A 116 6.748 -6.102 -4.591 1.00 0.00 N ATOM 1832 CA ALA A 116 6.281 -6.561 -5.892 1.00 0.00 C ATOM 1833 C ALA A 116 7.434 -6.642 -6.886 1.00 0.00 C ATOM 1834 O ALA A 116 8.568 -6.284 -6.564 1.00 0.00 O ATOM 1835 CB ALA A 116 5.192 -5.638 -6.417 1.00 0.00 C ATOM 0 H ALA A 116 6.831 -5.089 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 116 5.865 -7.561 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.852 -5.993 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.354 -5.631 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.589 -4.628 -6.518 1.00 0.00 H new ATOM 1841 N LYS A 117 7.143 -7.110 -8.095 1.00 0.00 N ATOM 1842 CA LYS A 117 8.162 -7.229 -9.131 1.00 0.00 C ATOM 1843 C LYS A 117 8.020 -6.107 -10.154 1.00 0.00 C ATOM 1844 O LYS A 117 6.911 -5.654 -10.440 1.00 0.00 O ATOM 1845 CB LYS A 117 8.058 -8.587 -9.828 1.00 0.00 C ATOM 1846 CG LYS A 117 8.894 -9.674 -9.171 1.00 0.00 C ATOM 1847 CD LYS A 117 10.139 -9.991 -9.984 1.00 0.00 C ATOM 1848 CE LYS A 117 11.194 -8.907 -9.834 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.573 -9.464 -9.877 1.00 0.00 N ATOM 0 H LYS A 117 6.212 -7.412 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 117 9.141 -7.149 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.014 -8.901 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.370 -8.478 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.184 -9.355 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.294 -10.577 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.551 -10.948 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.871 -10.096 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.075 -8.172 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.044 -8.382 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.262 -8.693 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.696 -10.147 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.726 -9.943 -10.788 1.00 0.00 H new ATOM 1863 N ASP A 118 9.145 -5.660 -10.705 1.00 0.00 N ATOM 1864 CA ASP A 118 9.133 -4.589 -11.696 1.00 0.00 C ATOM 1865 C ASP A 118 8.203 -4.934 -12.854 1.00 0.00 C ATOM 1866 O ASP A 118 7.597 -4.054 -13.464 1.00 0.00 O ATOM 1867 CB ASP A 118 10.545 -4.318 -12.216 1.00 0.00 C ATOM 1868 CG ASP A 118 11.125 -5.501 -12.967 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.992 -6.641 -12.474 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.714 -5.287 -14.048 1.00 0.00 O ATOM 0 H ASP A 118 10.073 -6.021 -10.483 1.00 0.00 H new ATOM 0 HA ASP A 118 8.762 -3.686 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.526 -3.449 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.196 -4.070 -11.378 1.00 0.00 H new ATOM 1875 N ASP A 119 8.086 -6.227 -13.144 1.00 0.00 N ATOM 1876 CA ASP A 119 7.220 -6.694 -14.218 1.00 0.00 C ATOM 1877 C ASP A 119 5.766 -6.703 -13.761 1.00 0.00 C ATOM 1878 O ASP A 119 4.845 -6.640 -14.576 1.00 0.00 O ATOM 1879 CB ASP A 119 7.636 -8.096 -14.667 1.00 0.00 C ATOM 1880 CG ASP A 119 7.078 -8.458 -16.028 1.00 0.00 C ATOM 1881 OD1 ASP A 119 5.954 -8.014 -16.346 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.764 -9.184 -16.778 1.00 0.00 O ATOM 0 H ASP A 119 8.581 -6.969 -12.649 1.00 0.00 H new ATOM 0 HA ASP A 119 7.319 -6.011 -15.062 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.724 -8.157 -14.696 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.295 -8.825 -13.932 1.00 0.00 H new ATOM 1887 N GLN A 120 5.569 -6.774 -12.446 1.00 0.00 N ATOM 1888 CA GLN A 120 4.232 -6.784 -11.869 1.00 0.00 C ATOM 1889 C GLN A 120 3.725 -5.364 -11.632 1.00 0.00 C ATOM 1890 O GLN A 120 2.549 -5.157 -11.339 1.00 0.00 O ATOM 1891 CB GLN A 120 4.231 -7.544 -10.545 1.00 0.00 C ATOM 1892 CG GLN A 120 4.469 -9.036 -10.683 1.00 0.00 C ATOM 1893 CD GLN A 120 4.288 -9.763 -9.366 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.151 -9.529 -8.719 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.154 -10.524 -8.936 1.00 0.00 N flip ATOM 0 H GLN A 120 6.323 -6.825 -11.761 1.00 0.00 H new ATOM 0 HA GLN A 120 3.570 -7.281 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.000 -7.123 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.274 -7.385 -10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.780 -9.446 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.478 -9.209 -11.057 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.012 -10.673 -9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.014 -11.006 -8.048 1.00 0.00 H new ATOM 1904 N LEU A 121 4.622 -4.391 -11.746 1.00 0.00 N ATOM 1905 CA LEU A 121 4.274 -2.990 -11.532 1.00 0.00 C ATOM 1906 C LEU A 121 3.043 -2.593 -12.340 1.00 0.00 C ATOM 1907 O LEU A 121 3.152 -2.140 -13.479 1.00 0.00 O ATOM 1908 CB LEU A 121 5.455 -2.089 -11.898 1.00 0.00 C ATOM 1909 CG LEU A 121 6.574 -2.038 -10.855 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.828 -1.409 -11.447 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.117 -1.269 -9.621 1.00 0.00 C ATOM 0 H LEU A 121 5.601 -4.547 -11.987 1.00 0.00 H new ATOM 0 HA LEU A 121 4.039 -2.862 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.875 -2.431 -12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.084 -1.077 -12.062 1.00 0.00 H new ATOM 0 HG LEU A 121 6.813 -3.058 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.613 -1.381 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.165 -2.001 -12.298 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.605 -0.394 -11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.924 -1.242 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.850 -0.251 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.249 -1.763 -9.185 1.00 0.00 H new ATOM 1923 N LYS A 122 1.873 -2.762 -11.734 1.00 0.00 N ATOM 1924 CA LYS A 122 0.614 -2.421 -12.381 1.00 0.00 C ATOM 1925 C LYS A 122 -0.043 -1.249 -11.662 1.00 0.00 C ATOM 1926 O LYS A 122 -0.928 -1.436 -10.827 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.316 -3.633 -12.391 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.285 -4.405 -13.700 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.843 -3.580 -14.849 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.150 -3.915 -16.161 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.763 -3.198 -17.314 1.00 0.00 N ATOM 0 H LYS A 122 1.772 -3.135 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 122 0.813 -2.128 -13.412 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.038 -4.302 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.336 -3.301 -12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.740 -4.698 -13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.864 -5.323 -13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.913 -3.763 -14.944 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.719 -2.519 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.906 -3.653 -16.091 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.201 -4.990 -16.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.262 -3.454 -18.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.764 -3.467 -17.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.692 -2.172 -17.162 1.00 0.00 H new ATOM 1945 N VAL A 123 0.414 -0.042 -11.973 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.111 1.161 -11.338 1.00 0.00 C ATOM 1947 C VAL A 123 -1.229 1.803 -12.156 1.00 0.00 C ATOM 1948 O VAL A 123 -1.073 2.059 -13.350 1.00 0.00 O ATOM 1949 CB VAL A 123 1.006 2.198 -11.114 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.607 2.639 -12.441 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.480 3.393 -10.335 1.00 0.00 C ATOM 0 H VAL A 123 1.147 0.130 -12.661 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.521 0.849 -10.378 1.00 0.00 H new ATOM 0 HB VAL A 123 1.794 1.729 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.394 3.371 -12.259 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.028 1.775 -12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.831 3.087 -13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.284 4.114 -10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.330 3.863 -10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.108 3.060 -9.366 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.350 2.072 -11.494 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.497 2.701 -12.142 1.00 0.00 C ATOM 1963 C HIS A 124 -4.239 3.603 -11.166 1.00 0.00 C ATOM 1964 O HIS A 124 -5.136 3.151 -10.461 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.465 1.649 -12.682 1.00 0.00 C ATOM 1966 CG HIS A 124 -3.793 0.430 -13.227 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -3.806 0.100 -14.565 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.094 -0.547 -12.605 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.144 -1.028 -14.742 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -2.701 -1.443 -13.571 1.00 0.00 N ATOM 0 H HIS A 124 -2.489 1.863 -10.505 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.117 3.298 -12.971 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.144 1.351 -11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.073 2.098 -13.467 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.256 0.642 -15.302 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.884 -0.611 -11.548 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.991 -1.527 -15.687 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.867 4.878 -11.129 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.524 5.814 -10.230 1.00 0.00 C ATOM 1981 C GLY A 125 -6.037 5.690 -10.264 1.00 0.00 C ATOM 1982 O GLY A 125 -6.613 4.866 -9.557 1.00 0.00 O ATOM 0 H GLY A 125 -3.126 5.281 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.172 5.644 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.240 6.831 -10.499 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.676 6.502 -11.095 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.130 6.474 -11.229 1.00 0.00 C ATOM 1988 C PHE A 126 -8.602 7.510 -12.245 1.00 0.00 C ATOM 1989 O PHE A 126 -8.166 8.676 -12.147 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.803 6.716 -9.871 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.751 8.145 -9.410 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.539 8.804 -9.282 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.917 8.829 -9.107 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.491 10.119 -8.861 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.876 10.143 -8.684 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.662 10.789 -8.561 1.00 0.00 C ATOM 1997 OXT PHE A 126 -9.406 7.146 -13.130 1.00 0.00 O ATOM 0 H PHE A 126 -6.212 7.190 -11.688 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.416 5.485 -11.588 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.845 6.402 -9.932 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.324 6.086 -9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.621 8.284 -9.514 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.869 8.329 -9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.540 10.622 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.792 10.665 -8.450 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.627 11.817 -8.231 1.00 0.00 H new