USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 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 -135:sc= 0 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.62 F(o=-6.6!,f=-2.6) USER MOD Set 2.1: A 50 GLN : amide:sc= -1.03 K(o=-0.83,f=-5.2!) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.194 USER MOD Set 3.1: A 45 HIS : no HE2:sc= -6.66! C(o=-15!,f=-17!) USER MOD Set 3.2: A 124 HIS : no HE2:sc= -8.4! C(o=-15!,f=-18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0.836 F(o=-0.034,f=0.84) USER MOD Single : A 52 ASN : amide:sc= 0.343 K(o=0.34,f=-4.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 61 GLN : amide:sc= -3.14 K(o=-3.1,f=-5.4!) USER MOD Single : A 67 TYR OH : rot -134:sc= 1.1 USER MOD Single : A 69 LYS NZ :NH3+ -125:sc= -0.459 (180deg=-2.17!) 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+ 174:sc= -0.244 (180deg=-0.314) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.183 (180deg=-0.705) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0545) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.887 F(o=-2.6!,f=-0.89) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 89 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-5.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.89! C(o=-3.9!,f=-7.1!) USER MOD Single : A 99 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.6) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.59) USER MOD Single : A 107 CYS SG : rot -150:sc= -1.4 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.331 F(o=-1.5,f=-0.33) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.38 F(o=-7.1!,f=-3.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.639 -12.262 -13.497 1.00 0.00 N ATOM 607 CA ASP A 42 0.182 -11.912 -12.155 1.00 0.00 C ATOM 608 C ASP A 42 0.793 -10.593 -11.686 1.00 0.00 C ATOM 609 O ASP A 42 1.653 -10.573 -10.808 1.00 0.00 O ATOM 610 CB ASP A 42 0.536 -13.029 -11.170 1.00 0.00 C ATOM 611 CG ASP A 42 -0.470 -13.145 -10.041 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.661 -12.851 -10.276 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.066 -13.529 -8.924 1.00 0.00 O ATOM 0 HA ASP A 42 -0.901 -11.791 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.589 -13.978 -11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.526 -12.842 -10.753 1.00 0.00 H new ATOM 618 N TYR A 43 0.342 -9.494 -12.281 1.00 0.00 N ATOM 619 CA TYR A 43 0.844 -8.172 -11.923 1.00 0.00 C ATOM 620 C TYR A 43 0.204 -7.679 -10.630 1.00 0.00 C ATOM 621 O TYR A 43 -0.750 -8.278 -10.130 1.00 0.00 O ATOM 622 CB TYR A 43 0.555 -7.173 -13.046 1.00 0.00 C ATOM 623 CG TYR A 43 1.159 -7.539 -14.387 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.279 -8.361 -14.480 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.608 -7.048 -15.565 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.827 -8.681 -15.707 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.151 -7.367 -16.794 1.00 0.00 C ATOM 628 CZ TYR A 43 2.259 -8.183 -16.860 1.00 0.00 C ATOM 629 OH TYR A 43 2.803 -8.501 -18.083 1.00 0.00 O ATOM 0 H TYR A 43 -0.369 -9.492 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 43 1.921 -8.251 -11.775 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.525 -7.079 -13.162 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.930 -6.194 -12.749 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.726 -8.754 -13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.259 -6.406 -15.518 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.697 -9.319 -15.763 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.709 -6.978 -17.700 1.00 0.00 H new ATOM 0 HH TYR A 43 2.284 -8.071 -18.794 1.00 0.00 H new ATOM 639 N ILE A 44 0.720 -6.572 -10.102 1.00 0.00 N ATOM 640 CA ILE A 44 0.181 -5.987 -8.880 1.00 0.00 C ATOM 641 C ILE A 44 -0.597 -4.716 -9.209 1.00 0.00 C ATOM 642 O ILE A 44 -0.013 -3.653 -9.417 1.00 0.00 O ATOM 643 CB ILE A 44 1.290 -5.668 -7.851 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.054 -6.935 -7.464 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.696 -5.019 -6.608 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.158 -8.075 -7.034 1.00 0.00 C ATOM 0 H ILE A 44 1.509 -6.064 -10.501 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.486 -6.724 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 44 1.987 -4.970 -8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.658 -7.258 -8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.743 -6.700 -6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.492 -4.802 -5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.195 -4.092 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.024 -5.698 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.769 -8.940 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.573 -7.770 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.486 -8.338 -7.851 1.00 0.00 H new ATOM 658 N HIS A 45 -1.917 -4.846 -9.277 1.00 0.00 N ATOM 659 CA HIS A 45 -2.789 -3.724 -9.608 1.00 0.00 C ATOM 660 C HIS A 45 -2.894 -2.719 -8.464 1.00 0.00 C ATOM 661 O HIS A 45 -3.418 -3.030 -7.396 1.00 0.00 O ATOM 662 CB HIS A 45 -4.181 -4.244 -9.968 1.00 0.00 C ATOM 663 CG HIS A 45 -4.619 -3.888 -11.352 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.368 -4.682 -12.451 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.304 -2.817 -11.813 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.878 -4.115 -13.528 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.454 -2.981 -13.168 1.00 0.00 N ATOM 0 H HIS A 45 -2.410 -5.723 -9.106 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.350 -3.206 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.192 -5.329 -9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.903 -3.846 -9.255 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.866 -5.570 -12.434 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.666 -1.987 -11.225 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.833 -4.510 -14.532 1.00 0.00 H new ATOM 676 N ILE A 46 -2.410 -1.507 -8.709 1.00 0.00 N ATOM 677 CA ILE A 46 -2.468 -0.443 -7.706 1.00 0.00 C ATOM 678 C ILE A 46 -3.900 0.098 -7.575 1.00 0.00 C ATOM 679 O ILE A 46 -4.708 -0.467 -6.839 1.00 0.00 O ATOM 680 CB ILE A 46 -1.490 0.706 -8.042 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.061 0.169 -8.162 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.562 1.798 -6.985 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.512 -0.340 -6.856 1.00 0.00 C ATOM 0 H ILE A 46 -1.974 -1.234 -9.590 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.165 -0.873 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.781 1.138 -8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.047 -0.639 -8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.583 0.959 -8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.866 2.597 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.575 2.198 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.296 1.382 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.526 -0.704 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.531 0.470 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.108 -1.153 -6.479 1.00 0.00 H new ATOM 695 N ARG A 47 -4.221 1.183 -8.301 1.00 0.00 N ATOM 696 CA ARG A 47 -5.560 1.777 -8.274 1.00 0.00 C ATOM 697 C ARG A 47 -5.725 2.761 -7.122 1.00 0.00 C ATOM 698 O ARG A 47 -5.419 2.451 -5.971 1.00 0.00 O ATOM 699 CB ARG A 47 -6.642 0.694 -8.193 1.00 0.00 C ATOM 700 CG ARG A 47 -7.982 1.128 -8.762 1.00 0.00 C ATOM 701 CD ARG A 47 -8.069 0.857 -10.255 1.00 0.00 C ATOM 702 NE ARG A 47 -9.104 1.661 -10.900 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.334 1.660 -12.210 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.606 0.899 -13.019 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.294 2.423 -12.716 1.00 0.00 N ATOM 0 H ARG A 47 -3.565 1.665 -8.915 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.678 2.328 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.299 -0.191 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.776 0.404 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.785 0.599 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.130 2.192 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.105 1.068 -10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.277 -0.200 -10.420 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.684 2.258 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.866 0.311 -12.637 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.787 0.903 -14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.856 3.011 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.470 2.422 -13.721 1.00 0.00 H new ATOM 719 N ILE A 48 -6.226 3.949 -7.451 1.00 0.00 N ATOM 720 CA ILE A 48 -6.457 4.996 -6.461 1.00 0.00 C ATOM 721 C ILE A 48 -7.954 5.275 -6.320 1.00 0.00 C ATOM 722 O ILE A 48 -8.730 5.012 -7.238 1.00 0.00 O ATOM 723 CB ILE A 48 -5.712 6.301 -6.847 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.297 6.291 -6.273 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.462 7.539 -6.367 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.485 7.509 -6.658 1.00 0.00 C ATOM 0 H ILE A 48 -6.481 4.211 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.067 4.646 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.659 6.343 -7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.354 6.230 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.780 5.395 -6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.910 8.433 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.453 7.562 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.560 7.507 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.491 7.438 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.398 7.560 -7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.981 8.408 -6.291 1.00 0.00 H new ATOM 738 N GLN A 49 -8.350 5.812 -5.171 1.00 0.00 N ATOM 739 CA GLN A 49 -9.753 6.127 -4.923 1.00 0.00 C ATOM 740 C GLN A 49 -9.893 7.457 -4.186 1.00 0.00 C ATOM 741 O GLN A 49 -9.688 7.533 -2.974 1.00 0.00 O ATOM 742 CB GLN A 49 -10.418 5.008 -4.119 1.00 0.00 C ATOM 743 CG GLN A 49 -9.827 4.820 -2.732 1.00 0.00 C ATOM 744 CD GLN A 49 -9.949 3.393 -2.235 1.00 0.00 C ATOM 745 OE1 GLN A 49 -11.179 2.953 -1.993 1.00 0.00 O flip ATOM 746 NE2 GLN A 49 -8.949 2.693 -2.070 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.722 6.038 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.254 6.215 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.482 5.223 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.329 4.073 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.776 5.107 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.330 5.489 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.023 3.072 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.047 1.735 -1.735 1.00 0.00 H new ATOM 755 N GLN A 50 -10.243 8.503 -4.928 1.00 0.00 N ATOM 756 CA GLN A 50 -10.413 9.832 -4.349 1.00 0.00 C ATOM 757 C GLN A 50 -11.894 10.158 -4.174 1.00 0.00 C ATOM 758 O GLN A 50 -12.621 10.334 -5.150 1.00 0.00 O ATOM 759 CB GLN A 50 -9.739 10.883 -5.235 1.00 0.00 C ATOM 760 CG GLN A 50 -8.831 11.833 -4.472 1.00 0.00 C ATOM 761 CD GLN A 50 -8.106 12.804 -5.384 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.704 13.396 -6.282 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.808 12.971 -5.155 1.00 0.00 N ATOM 0 H GLN A 50 -10.415 8.456 -5.932 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.941 9.844 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.156 10.377 -6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.508 11.462 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.423 12.393 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.099 11.255 -3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.354 12.459 -4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.266 13.611 -5.735 1.00 0.00 H new ATOM 772 N ARG A 51 -12.333 10.230 -2.921 1.00 0.00 N ATOM 773 CA ARG A 51 -13.728 10.527 -2.612 1.00 0.00 C ATOM 774 C ARG A 51 -14.145 11.885 -3.176 1.00 0.00 C ATOM 775 O ARG A 51 -14.776 11.961 -4.230 1.00 0.00 O ATOM 776 CB ARG A 51 -13.951 10.495 -1.098 1.00 0.00 C ATOM 777 CG ARG A 51 -14.666 9.242 -0.615 1.00 0.00 C ATOM 778 CD ARG A 51 -13.684 8.209 -0.082 1.00 0.00 C ATOM 779 NE ARG A 51 -13.879 7.954 1.343 1.00 0.00 N ATOM 780 CZ ARG A 51 -13.296 6.957 2.005 1.00 0.00 C ATOM 781 NH1 ARG A 51 -12.480 6.121 1.375 1.00 0.00 N ATOM 782 NH2 ARG A 51 -13.528 6.796 3.301 1.00 0.00 N ATOM 0 H ARG A 51 -11.742 10.087 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.347 9.763 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.987 10.570 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.531 11.370 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.377 9.507 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.240 8.811 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.801 7.278 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.665 8.556 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.499 8.577 1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.297 6.241 0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.036 5.359 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.153 7.436 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.081 6.032 3.808 1.00 0.00 H new ATOM 796 N ASN A 52 -13.792 12.952 -2.465 1.00 0.00 N ATOM 797 CA ASN A 52 -14.135 14.306 -2.895 1.00 0.00 C ATOM 798 C ASN A 52 -12.971 14.944 -3.646 1.00 0.00 C ATOM 799 O ASN A 52 -12.634 16.107 -3.420 1.00 0.00 O ATOM 800 CB ASN A 52 -14.522 15.181 -1.692 1.00 0.00 C ATOM 801 CG ASN A 52 -14.772 14.381 -0.425 1.00 0.00 C ATOM 802 OD1 ASN A 52 -13.915 13.617 0.020 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.950 14.554 0.161 1.00 0.00 N ATOM 0 H ASN A 52 -13.270 12.907 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.991 14.236 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.728 15.904 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.419 15.749 -1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.175 14.043 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.631 15.198 -0.243 1.00 0.00 H new ATOM 810 N GLY A 53 -12.352 14.173 -4.532 1.00 0.00 N ATOM 811 CA GLY A 53 -11.226 14.680 -5.290 1.00 0.00 C ATOM 812 C GLY A 53 -10.068 15.064 -4.392 1.00 0.00 C ATOM 813 O GLY A 53 -9.191 15.832 -4.788 1.00 0.00 O ATOM 0 H GLY A 53 -12.610 13.208 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.898 13.923 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.540 15.548 -5.869 1.00 0.00 H new ATOM 817 N ARG A 54 -10.069 14.527 -3.175 1.00 0.00 N ATOM 818 CA ARG A 54 -9.019 14.816 -2.211 1.00 0.00 C ATOM 819 C ARG A 54 -8.716 13.591 -1.351 1.00 0.00 C ATOM 820 O ARG A 54 -7.555 13.251 -1.125 1.00 0.00 O ATOM 821 CB ARG A 54 -9.427 16.000 -1.331 1.00 0.00 C ATOM 822 CG ARG A 54 -10.502 15.669 -0.303 1.00 0.00 C ATOM 823 CD ARG A 54 -10.848 16.866 0.578 1.00 0.00 C ATOM 824 NE ARG A 54 -10.059 18.054 0.252 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.346 18.885 -0.748 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.399 18.662 -1.524 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.577 19.941 -0.973 1.00 0.00 N ATOM 0 H ARG A 54 -10.788 13.888 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.112 15.077 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.545 16.374 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.786 16.807 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.400 15.327 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.161 14.845 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.908 17.098 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.685 16.602 1.623 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.240 18.258 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.994 17.850 -1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.614 19.302 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.766 20.117 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.796 20.578 -1.739 1.00 0.00 H new ATOM 841 N LYS A 55 -9.768 12.929 -0.879 1.00 0.00 N ATOM 842 CA LYS A 55 -9.612 11.740 -0.050 1.00 0.00 C ATOM 843 C LYS A 55 -9.108 10.567 -0.889 1.00 0.00 C ATOM 844 O LYS A 55 -9.809 9.572 -1.076 1.00 0.00 O ATOM 845 CB LYS A 55 -10.941 11.383 0.624 1.00 0.00 C ATOM 846 CG LYS A 55 -10.896 11.474 2.141 1.00 0.00 C ATOM 847 CD LYS A 55 -10.556 12.881 2.610 1.00 0.00 C ATOM 848 CE LYS A 55 -9.184 12.937 3.264 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.278 13.077 4.745 1.00 0.00 N ATOM 0 H LYS A 55 -10.736 13.196 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.875 11.952 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.719 12.049 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.224 10.370 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.861 11.176 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.155 10.773 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.583 13.565 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.311 13.222 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.628 12.032 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.621 13.776 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.322 13.111 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.786 13.954 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.793 12.263 5.139 1.00 0.00 H new ATOM 863 N THR A 56 -7.887 10.697 -1.397 1.00 0.00 N ATOM 864 CA THR A 56 -7.285 9.657 -2.220 1.00 0.00 C ATOM 865 C THR A 56 -6.827 8.481 -1.364 1.00 0.00 C ATOM 866 O THR A 56 -6.365 8.664 -0.237 1.00 0.00 O ATOM 867 CB THR A 56 -6.102 10.227 -3.005 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.126 11.643 -2.996 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.069 9.778 -4.449 1.00 0.00 C ATOM 0 H THR A 56 -7.295 11.515 -1.252 1.00 0.00 H new ATOM 0 HA THR A 56 -8.039 9.297 -2.920 1.00 0.00 H new ATOM 0 HB THR A 56 -5.214 9.845 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.210 11.986 -3.049 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.205 10.219 -4.947 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.997 8.691 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.981 10.100 -4.951 1.00 0.00 H new ATOM 877 N LEU A 57 -6.958 7.274 -1.905 1.00 0.00 N ATOM 878 CA LEU A 57 -6.556 6.071 -1.188 1.00 0.00 C ATOM 879 C LEU A 57 -5.997 5.023 -2.150 1.00 0.00 C ATOM 880 O LEU A 57 -6.738 4.192 -2.675 1.00 0.00 O ATOM 881 CB LEU A 57 -7.743 5.493 -0.414 1.00 0.00 C ATOM 882 CG LEU A 57 -7.736 5.775 1.090 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.136 5.622 1.667 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.757 4.851 1.802 1.00 0.00 C ATOM 0 H LEU A 57 -7.339 7.104 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.771 6.343 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.664 5.893 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.765 4.414 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.411 6.804 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.113 5.826 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.810 6.325 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.489 4.605 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.765 5.066 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.050 3.814 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.753 5.011 1.408 1.00 0.00 H new ATOM 896 N THR A 58 -4.687 5.069 -2.374 1.00 0.00 N ATOM 897 CA THR A 58 -4.030 4.124 -3.273 1.00 0.00 C ATOM 898 C THR A 58 -4.101 2.704 -2.721 1.00 0.00 C ATOM 899 O THR A 58 -3.636 2.437 -1.614 1.00 0.00 O ATOM 900 CB THR A 58 -2.568 4.521 -3.480 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.434 5.930 -3.561 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.955 3.921 -4.728 1.00 0.00 C ATOM 0 H THR A 58 -4.059 5.750 -1.946 1.00 0.00 H new ATOM 0 HA THR A 58 -4.552 4.152 -4.229 1.00 0.00 H new ATOM 0 HB THR A 58 -2.037 4.128 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.622 6.327 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.917 4.243 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.994 2.833 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.512 4.254 -5.603 1.00 0.00 H new ATOM 910 N THR A 59 -4.676 1.791 -3.499 1.00 0.00 N ATOM 911 CA THR A 59 -4.791 0.400 -3.076 1.00 0.00 C ATOM 912 C THR A 59 -3.788 -0.479 -3.813 1.00 0.00 C ATOM 913 O THR A 59 -3.264 -0.098 -4.859 1.00 0.00 O ATOM 914 CB THR A 59 -6.209 -0.126 -3.311 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.884 0.661 -4.275 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.055 -0.145 -2.058 1.00 0.00 C ATOM 0 H THR A 59 -5.067 1.988 -4.420 1.00 0.00 H new ATOM 0 HA THR A 59 -4.573 0.362 -2.009 1.00 0.00 H new ATOM 0 HB THR A 59 -6.082 -1.151 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.788 0.307 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.047 -0.528 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.586 -0.787 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.142 0.867 -1.662 1.00 0.00 H new ATOM 924 N VAL A 60 -3.526 -1.659 -3.260 1.00 0.00 N ATOM 925 CA VAL A 60 -2.587 -2.594 -3.870 1.00 0.00 C ATOM 926 C VAL A 60 -3.206 -3.977 -4.037 1.00 0.00 C ATOM 927 O VAL A 60 -3.603 -4.616 -3.062 1.00 0.00 O ATOM 928 CB VAL A 60 -1.296 -2.719 -3.043 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.248 -3.516 -3.805 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.768 -1.342 -2.678 1.00 0.00 C ATOM 0 H VAL A 60 -3.949 -1.990 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.343 -2.190 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.524 -3.254 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.658 -3.594 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.631 -4.515 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.019 -3.011 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.146 -1.446 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.554 -0.781 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.516 -0.809 -2.091 1.00 0.00 H new ATOM 940 N GLN A 61 -3.282 -4.431 -5.285 1.00 0.00 N ATOM 941 CA GLN A 61 -3.846 -5.739 -5.601 1.00 0.00 C ATOM 942 C GLN A 61 -2.772 -6.666 -6.157 1.00 0.00 C ATOM 943 O GLN A 61 -1.891 -6.232 -6.895 1.00 0.00 O ATOM 944 CB GLN A 61 -4.974 -5.597 -6.624 1.00 0.00 C ATOM 945 CG GLN A 61 -6.292 -5.136 -6.026 1.00 0.00 C ATOM 946 CD GLN A 61 -7.208 -4.511 -7.059 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.851 -3.494 -6.802 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.272 -5.122 -8.236 1.00 0.00 N ATOM 0 H GLN A 61 -2.958 -3.908 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.244 -6.168 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.667 -4.888 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.126 -6.557 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.795 -5.986 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.095 -4.413 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.721 -5.963 -8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.873 -4.750 -8.972 1.00 0.00 H new ATOM 957 N GLY A 62 -2.855 -7.945 -5.806 1.00 0.00 N ATOM 958 CA GLY A 62 -1.884 -8.908 -6.290 1.00 0.00 C ATOM 959 C GLY A 62 -0.944 -9.384 -5.202 1.00 0.00 C ATOM 960 O GLY A 62 -0.521 -10.541 -5.198 1.00 0.00 O ATOM 0 H GLY A 62 -3.576 -8.331 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.408 -9.765 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.303 -8.459 -7.096 1.00 0.00 H new ATOM 964 N ILE A 63 -0.610 -8.487 -4.281 1.00 0.00 N ATOM 965 CA ILE A 63 0.292 -8.810 -3.184 1.00 0.00 C ATOM 966 C ILE A 63 -0.169 -10.057 -2.432 1.00 0.00 C ATOM 967 O ILE A 63 -1.364 -10.278 -2.244 1.00 0.00 O ATOM 968 CB ILE A 63 0.418 -7.622 -2.205 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.022 -6.406 -2.917 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.253 -8.001 -0.990 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.138 -6.748 -3.883 1.00 0.00 C ATOM 0 H ILE A 63 -0.953 -7.526 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 63 1.271 -9.013 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.581 -7.361 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.232 -5.887 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.404 -5.712 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.326 -7.146 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.780 -8.834 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.252 -8.295 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.512 -5.834 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.948 -7.239 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.758 -7.417 -4.656 1.00 0.00 H new ATOM 983 N ALA A 64 0.797 -10.868 -2.012 1.00 0.00 N ATOM 984 CA ALA A 64 0.506 -12.098 -1.287 1.00 0.00 C ATOM 985 C ALA A 64 0.244 -11.824 0.189 1.00 0.00 C ATOM 986 O ALA A 64 0.938 -11.025 0.817 1.00 0.00 O ATOM 987 CB ALA A 64 1.656 -13.081 -1.444 1.00 0.00 C ATOM 0 H ALA A 64 1.791 -10.694 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.398 -12.534 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.429 -13.997 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.795 -13.313 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.569 -12.639 -1.046 1.00 0.00 H new ATOM 993 N ASP A 65 -0.760 -12.499 0.738 1.00 0.00 N ATOM 994 CA ASP A 65 -1.113 -12.337 2.144 1.00 0.00 C ATOM 995 C ASP A 65 0.008 -12.844 3.049 1.00 0.00 C ATOM 996 O ASP A 65 0.049 -12.524 4.237 1.00 0.00 O ATOM 997 CB ASP A 65 -2.413 -13.082 2.452 1.00 0.00 C ATOM 998 CG ASP A 65 -3.326 -12.295 3.372 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.834 -11.367 4.046 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.534 -12.610 3.418 1.00 0.00 O ATOM 0 H ASP A 65 -1.344 -13.164 0.231 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.257 -11.274 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.936 -13.294 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.178 -14.042 2.912 1.00 0.00 H new ATOM 1005 N ASP A 66 0.915 -13.635 2.481 1.00 0.00 N ATOM 1006 CA ASP A 66 2.035 -14.182 3.240 1.00 0.00 C ATOM 1007 C ASP A 66 3.041 -13.090 3.588 1.00 0.00 C ATOM 1008 O ASP A 66 3.789 -13.209 4.559 1.00 0.00 O ATOM 1009 CB ASP A 66 2.725 -15.290 2.442 1.00 0.00 C ATOM 1010 CG ASP A 66 1.980 -16.608 2.521 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.734 -16.581 2.613 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.641 -17.667 2.489 1.00 0.00 O ATOM 0 H ASP A 66 0.896 -13.911 1.499 1.00 0.00 H new ATOM 0 HA ASP A 66 1.644 -14.600 4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.809 -14.985 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.740 -15.426 2.817 1.00 0.00 H new ATOM 1017 N TYR A 67 3.055 -12.026 2.789 1.00 0.00 N ATOM 1018 CA TYR A 67 3.967 -10.908 3.010 1.00 0.00 C ATOM 1019 C TYR A 67 3.941 -10.454 4.465 1.00 0.00 C ATOM 1020 O TYR A 67 2.979 -10.712 5.189 1.00 0.00 O ATOM 1021 CB TYR A 67 3.587 -9.734 2.105 1.00 0.00 C ATOM 1022 CG TYR A 67 3.930 -9.928 0.642 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.210 -11.187 0.120 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.967 -8.841 -0.217 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.519 -11.349 -1.218 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.273 -8.995 -1.554 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.549 -10.250 -2.051 1.00 0.00 C ATOM 1028 OH TYR A 67 4.855 -10.408 -3.383 1.00 0.00 O ATOM 0 H TYR A 67 2.443 -11.915 1.981 1.00 0.00 H new ATOM 0 HA TYR A 67 4.975 -11.247 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.515 -9.557 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.089 -8.837 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.186 -12.050 0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.752 -7.855 0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.736 -12.332 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.296 -8.136 -2.208 1.00 0.00 H new ATOM 0 HH TYR A 67 5.501 -9.723 -3.654 1.00 0.00 H new ATOM 1038 N ASP A 68 4.996 -9.765 4.885 1.00 0.00 N ATOM 1039 CA ASP A 68 5.083 -9.265 6.250 1.00 0.00 C ATOM 1040 C ASP A 68 4.136 -8.084 6.439 1.00 0.00 C ATOM 1041 O ASP A 68 4.554 -6.930 6.388 1.00 0.00 O ATOM 1042 CB ASP A 68 6.519 -8.845 6.575 1.00 0.00 C ATOM 1043 CG ASP A 68 7.262 -9.899 7.373 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.826 -11.070 7.360 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.279 -9.555 8.009 1.00 0.00 O ATOM 0 H ASP A 68 5.801 -9.541 4.300 1.00 0.00 H new ATOM 0 HA ASP A 68 4.791 -10.064 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.056 -8.650 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.503 -7.911 7.137 1.00 0.00 H new ATOM 1050 N LYS A 69 2.855 -8.390 6.646 1.00 0.00 N ATOM 1051 CA LYS A 69 1.824 -7.368 6.834 1.00 0.00 C ATOM 1052 C LYS A 69 2.344 -6.183 7.642 1.00 0.00 C ATOM 1053 O LYS A 69 2.083 -5.027 7.307 1.00 0.00 O ATOM 1054 CB LYS A 69 0.603 -7.973 7.530 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.550 -6.997 7.698 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.880 -7.722 7.840 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.558 -7.389 9.160 1.00 0.00 C ATOM 1058 NZ LYS A 69 -4.031 -7.593 9.094 1.00 0.00 N ATOM 0 H LYS A 69 2.504 -9.347 6.688 1.00 0.00 H new ATOM 0 HA LYS A 69 1.539 -7.003 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.258 -8.834 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.901 -8.342 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.377 -6.377 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.589 -6.328 6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.535 -7.447 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.718 -8.798 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.140 -8.013 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.346 -6.353 9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.516 -6.717 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.304 -7.844 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.304 -8.361 9.740 1.00 0.00 H new ATOM 1072 N LYS A 70 3.086 -6.478 8.703 1.00 0.00 N ATOM 1073 CA LYS A 70 3.645 -5.437 9.553 1.00 0.00 C ATOM 1074 C LYS A 70 4.609 -4.557 8.765 1.00 0.00 C ATOM 1075 O LYS A 70 4.333 -3.386 8.515 1.00 0.00 O ATOM 1076 CB LYS A 70 4.368 -6.059 10.749 1.00 0.00 C ATOM 1077 CG LYS A 70 3.428 -6.598 11.815 1.00 0.00 C ATOM 1078 CD LYS A 70 4.177 -6.946 13.093 1.00 0.00 C ATOM 1079 CE LYS A 70 3.375 -6.574 14.330 1.00 0.00 C ATOM 1080 NZ LYS A 70 4.206 -5.857 15.337 1.00 0.00 N ATOM 0 H LYS A 70 3.314 -7.429 8.994 1.00 0.00 H new ATOM 0 HA LYS A 70 2.825 -4.817 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.006 -6.869 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.021 -5.311 11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.659 -5.856 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.918 -7.484 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.396 -8.014 13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.134 -6.424 13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.533 -5.945 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.960 -7.477 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.622 -5.621 16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.996 -6.466 15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.581 -4.982 14.918 1.00 0.00 H new ATOM 1094 N LYS A 71 5.740 -5.132 8.374 1.00 0.00 N ATOM 1095 CA LYS A 71 6.751 -4.402 7.613 1.00 0.00 C ATOM 1096 C LYS A 71 6.209 -3.933 6.263 1.00 0.00 C ATOM 1097 O LYS A 71 6.809 -3.079 5.611 1.00 0.00 O ATOM 1098 CB LYS A 71 7.986 -5.278 7.401 1.00 0.00 C ATOM 1099 CG LYS A 71 9.118 -4.568 6.677 1.00 0.00 C ATOM 1100 CD LYS A 71 10.391 -5.399 6.686 1.00 0.00 C ATOM 1101 CE LYS A 71 11.628 -4.524 6.562 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.137 -4.476 5.164 1.00 0.00 N ATOM 0 H LYS A 71 5.982 -6.103 8.571 1.00 0.00 H new ATOM 0 HA LYS A 71 7.026 -3.519 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.346 -5.624 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.700 -6.163 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.822 -4.364 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.307 -3.605 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.443 -5.976 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.366 -6.114 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.393 -3.514 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.409 -4.905 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.981 -3.869 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.385 -5.436 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.401 -4.089 4.540 1.00 0.00 H new ATOM 1116 N LEU A 72 5.084 -4.500 5.842 1.00 0.00 N ATOM 1117 CA LEU A 72 4.478 -4.140 4.565 1.00 0.00 C ATOM 1118 C LEU A 72 3.942 -2.709 4.583 1.00 0.00 C ATOM 1119 O LEU A 72 4.482 -1.829 3.911 1.00 0.00 O ATOM 1120 CB LEU A 72 3.351 -5.119 4.222 1.00 0.00 C ATOM 1121 CG LEU A 72 2.986 -5.204 2.737 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.801 -6.133 2.534 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.681 -3.820 2.184 1.00 0.00 C ATOM 0 H LEU A 72 4.573 -5.211 6.366 1.00 0.00 H new ATOM 0 HA LEU A 72 5.252 -4.198 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.638 -6.113 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.461 -4.833 4.782 1.00 0.00 H new ATOM 0 HG LEU A 72 3.839 -5.611 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.555 -6.182 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.054 -7.130 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.943 -5.754 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.424 -3.899 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.843 -3.386 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.557 -3.182 2.297 1.00 0.00 H new ATOM 1135 N VAL A 73 2.870 -2.486 5.337 1.00 0.00 N ATOM 1136 CA VAL A 73 2.255 -1.165 5.418 1.00 0.00 C ATOM 1137 C VAL A 73 2.941 -0.275 6.453 1.00 0.00 C ATOM 1138 O VAL A 73 3.223 0.893 6.184 1.00 0.00 O ATOM 1139 CB VAL A 73 0.752 -1.274 5.749 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.541 -1.730 7.187 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.052 0.050 5.492 1.00 0.00 C ATOM 0 H VAL A 73 2.410 -3.201 5.900 1.00 0.00 H new ATOM 0 HA VAL A 73 2.377 -0.704 4.438 1.00 0.00 H new ATOM 0 HB VAL A 73 0.313 -2.026 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.527 -1.798 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.002 -2.707 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.997 -1.011 7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.007 -0.046 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.496 0.824 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.164 0.323 4.443 1.00 0.00 H new ATOM 1151 N LYS A 74 3.203 -0.824 7.637 1.00 0.00 N ATOM 1152 CA LYS A 74 3.852 -0.062 8.703 1.00 0.00 C ATOM 1153 C LYS A 74 5.086 0.661 8.179 1.00 0.00 C ATOM 1154 O LYS A 74 5.332 1.819 8.517 1.00 0.00 O ATOM 1155 CB LYS A 74 4.244 -0.979 9.861 1.00 0.00 C ATOM 1156 CG LYS A 74 3.088 -1.803 10.410 1.00 0.00 C ATOM 1157 CD LYS A 74 1.975 -0.915 10.947 1.00 0.00 C ATOM 1158 CE LYS A 74 1.711 -1.179 12.422 1.00 0.00 C ATOM 1159 NZ LYS A 74 0.914 -2.419 12.631 1.00 0.00 N ATOM 0 H LYS A 74 2.978 -1.788 7.882 1.00 0.00 H new ATOM 0 HA LYS A 74 3.138 0.679 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.033 -1.653 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.661 -0.374 10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.694 -2.447 9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.450 -2.455 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.244 0.132 10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.063 -1.089 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.660 -1.264 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.181 -0.330 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.756 -2.563 13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.002 -2.328 12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.431 -3.234 12.242 1.00 0.00 H new ATOM 1173 N ALA A 75 5.857 -0.029 7.347 1.00 0.00 N ATOM 1174 CA ALA A 75 7.063 0.551 6.770 1.00 0.00 C ATOM 1175 C ALA A 75 6.713 1.737 5.879 1.00 0.00 C ATOM 1176 O ALA A 75 7.483 2.691 5.767 1.00 0.00 O ATOM 1177 CB ALA A 75 7.832 -0.498 5.982 1.00 0.00 C ATOM 0 H ALA A 75 5.669 -0.989 7.057 1.00 0.00 H new ATOM 0 HA ALA A 75 7.697 0.907 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.730 -0.049 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.114 -1.316 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.204 -0.882 5.178 1.00 0.00 H new ATOM 1183 N PHE A 76 5.542 1.672 5.252 1.00 0.00 N ATOM 1184 CA PHE A 76 5.084 2.743 4.377 1.00 0.00 C ATOM 1185 C PHE A 76 4.965 4.052 5.150 1.00 0.00 C ATOM 1186 O PHE A 76 5.382 5.108 4.676 1.00 0.00 O ATOM 1187 CB PHE A 76 3.736 2.383 3.751 1.00 0.00 C ATOM 1188 CG PHE A 76 3.481 3.079 2.445 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.893 2.509 1.251 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.834 4.303 2.413 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.663 3.147 0.048 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.601 4.946 1.212 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.016 4.367 0.028 1.00 0.00 C ATOM 0 H PHE A 76 4.894 0.889 5.334 1.00 0.00 H new ATOM 0 HA PHE A 76 5.819 2.871 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.693 1.305 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.939 2.636 4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.400 1.555 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.508 4.760 3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.989 2.692 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.095 5.900 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.835 4.868 -0.912 1.00 0.00 H new ATOM 1203 N LYS A 77 4.397 3.972 6.349 1.00 0.00 N ATOM 1204 CA LYS A 77 4.224 5.146 7.196 1.00 0.00 C ATOM 1205 C LYS A 77 5.563 5.630 7.752 1.00 0.00 C ATOM 1206 O LYS A 77 5.642 6.701 8.351 1.00 0.00 O ATOM 1207 CB LYS A 77 3.267 4.829 8.344 1.00 0.00 C ATOM 1208 CG LYS A 77 1.939 4.250 7.884 1.00 0.00 C ATOM 1209 CD LYS A 77 1.741 2.829 8.387 1.00 0.00 C ATOM 1210 CE LYS A 77 0.301 2.583 8.810 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.195 1.477 9.801 1.00 0.00 N ATOM 0 H LYS A 77 4.048 3.104 6.756 1.00 0.00 H new ATOM 0 HA LYS A 77 3.802 5.943 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.747 4.123 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.080 5.740 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.124 4.879 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.895 4.260 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.017 2.123 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.406 2.645 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.112 3.496 9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.299 2.343 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.786 1.407 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.470 0.580 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.826 1.669 10.605 1.00 0.00 H new ATOM 1225 N LYS A 78 6.613 4.837 7.554 1.00 0.00 N ATOM 1226 CA LYS A 78 7.940 5.195 8.041 1.00 0.00 C ATOM 1227 C LYS A 78 8.832 5.683 6.902 1.00 0.00 C ATOM 1228 O LYS A 78 9.828 6.370 7.134 1.00 0.00 O ATOM 1229 CB LYS A 78 8.589 3.994 8.730 1.00 0.00 C ATOM 1230 CG LYS A 78 9.415 4.366 9.950 1.00 0.00 C ATOM 1231 CD LYS A 78 10.695 3.550 10.027 1.00 0.00 C ATOM 1232 CE LYS A 78 10.407 2.089 10.330 1.00 0.00 C ATOM 1233 NZ LYS A 78 9.423 1.934 11.437 1.00 0.00 N ATOM 0 H LYS A 78 6.570 3.945 7.061 1.00 0.00 H new ATOM 0 HA LYS A 78 7.827 6.007 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.810 3.293 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.227 3.476 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.661 5.427 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.825 4.205 10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.234 3.627 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.344 3.962 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.024 1.601 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.335 1.584 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.466 0.963 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.649 2.604 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.465 2.126 11.080 1.00 0.00 H new ATOM 1247 N LYS A 79 8.477 5.318 5.673 1.00 0.00 N ATOM 1248 CA LYS A 79 9.255 5.716 4.505 1.00 0.00 C ATOM 1249 C LYS A 79 8.690 6.978 3.860 1.00 0.00 C ATOM 1250 O LYS A 79 9.440 7.841 3.406 1.00 0.00 O ATOM 1251 CB LYS A 79 9.293 4.580 3.480 1.00 0.00 C ATOM 1252 CG LYS A 79 10.122 4.902 2.246 1.00 0.00 C ATOM 1253 CD LYS A 79 10.357 3.665 1.394 1.00 0.00 C ATOM 1254 CE LYS A 79 11.524 3.861 0.439 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.789 3.294 0.987 1.00 0.00 N ATOM 0 H LYS A 79 7.658 4.749 5.461 1.00 0.00 H new ATOM 0 HA LYS A 79 10.269 5.933 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.696 3.686 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.274 4.345 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.613 5.662 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.080 5.323 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.553 2.809 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.455 3.436 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.296 3.386 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.658 4.925 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.585 3.564 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.949 3.664 1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.717 2.257 1.024 1.00 0.00 H new ATOM 1269 N PHE A 80 7.366 7.077 3.811 1.00 0.00 N ATOM 1270 CA PHE A 80 6.711 8.235 3.208 1.00 0.00 C ATOM 1271 C PHE A 80 5.947 9.054 4.246 1.00 0.00 C ATOM 1272 O PHE A 80 5.619 10.216 4.008 1.00 0.00 O ATOM 1273 CB PHE A 80 5.759 7.786 2.096 1.00 0.00 C ATOM 1274 CG PHE A 80 6.314 6.680 1.243 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.131 5.355 1.602 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.017 6.966 0.084 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.640 4.335 0.821 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.529 5.951 -0.701 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.340 4.633 -0.331 1.00 0.00 C ATOM 0 H PHE A 80 6.726 6.373 4.180 1.00 0.00 H new ATOM 0 HA PHE A 80 7.489 8.870 2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.822 7.454 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.525 8.641 1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.584 5.116 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.167 7.995 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.490 3.306 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.076 6.187 -1.602 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.739 3.837 -0.942 1.00 0.00 H new ATOM 1289 N ALA A 81 5.659 8.446 5.396 1.00 0.00 N ATOM 1290 CA ALA A 81 4.930 9.130 6.460 1.00 0.00 C ATOM 1291 C ALA A 81 3.453 9.262 6.110 1.00 0.00 C ATOM 1292 O ALA A 81 2.801 10.239 6.477 1.00 0.00 O ATOM 1293 CB ALA A 81 5.536 10.500 6.734 1.00 0.00 C ATOM 0 H ALA A 81 5.919 7.484 5.613 1.00 0.00 H new ATOM 0 HA ALA A 81 5.014 8.528 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.977 10.992 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.576 10.383 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.489 11.106 5.829 1.00 0.00 H new ATOM 1299 N CYS A 82 2.931 8.268 5.398 1.00 0.00 N ATOM 1300 CA CYS A 82 1.530 8.268 4.997 1.00 0.00 C ATOM 1301 C CYS A 82 0.732 7.276 5.835 1.00 0.00 C ATOM 1302 O CYS A 82 1.281 6.613 6.714 1.00 0.00 O ATOM 1303 CB CYS A 82 1.400 7.922 3.513 1.00 0.00 C ATOM 1304 SG CYS A 82 1.932 9.242 2.398 1.00 0.00 S ATOM 0 H CYS A 82 3.458 7.452 5.087 1.00 0.00 H new ATOM 0 HA CYS A 82 1.128 9.267 5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.988 7.028 3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.360 7.676 3.298 1.00 0.00 H new ATOM 0 HG CYS A 82 1.061 9.380 1.443 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.563 7.173 5.554 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.427 6.258 6.279 1.00 0.00 C ATOM 1312 C ASN A 83 -1.778 5.063 5.395 1.00 0.00 C ATOM 1313 O ASN A 83 -2.391 5.218 4.340 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.692 6.994 6.743 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.903 6.090 6.860 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.481 5.733 5.722 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.313 5.717 7.959 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.034 7.714 4.829 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.905 5.886 7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.499 7.459 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.914 7.798 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.837 6.017 8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.129 5.108 8.019 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.375 3.874 5.828 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.651 2.678 5.059 1.00 0.00 C ATOM 1326 C GLY A 84 -2.446 1.653 5.840 1.00 0.00 C ATOM 1327 O GLY A 84 -2.142 1.370 6.999 1.00 0.00 O ATOM 0 H GLY A 84 -0.863 3.718 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.201 2.949 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.710 2.233 4.736 1.00 0.00 H new ATOM 1331 N THR A 85 -3.469 1.095 5.201 1.00 0.00 N ATOM 1332 CA THR A 85 -4.316 0.093 5.843 1.00 0.00 C ATOM 1333 C THR A 85 -4.351 -1.197 5.028 1.00 0.00 C ATOM 1334 O THR A 85 -3.903 -1.233 3.885 1.00 0.00 O ATOM 1335 CB THR A 85 -5.736 0.634 6.020 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.435 0.619 4.788 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.776 2.050 6.554 1.00 0.00 C ATOM 0 H THR A 85 -3.732 1.318 4.241 1.00 0.00 H new ATOM 0 HA THR A 85 -3.892 -0.129 6.822 1.00 0.00 H new ATOM 0 HB THR A 85 -6.207 -0.025 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.341 0.967 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.813 2.371 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.288 2.085 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.256 2.714 5.863 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.885 -2.257 5.628 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.979 -3.551 4.962 1.00 0.00 C ATOM 1347 C VAL A 86 -6.436 -4.006 4.855 1.00 0.00 C ATOM 1348 O VAL A 86 -6.861 -4.932 5.547 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.162 -4.618 5.715 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.692 -4.810 7.129 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.164 -5.935 4.951 1.00 0.00 C ATOM 0 H VAL A 86 -5.260 -2.244 6.577 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.569 -3.433 3.959 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.132 -4.269 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.099 -5.568 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.625 -3.868 7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.733 -5.131 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.581 -6.675 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.189 -6.290 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.723 -5.785 3.966 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.199 -3.344 3.990 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.607 -3.677 3.802 1.00 0.00 C ATOM 1363 C ILE A 87 -8.778 -4.905 2.915 1.00 0.00 C ATOM 1364 O ILE A 87 -7.969 -5.157 2.022 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.389 -2.505 3.173 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.816 -2.155 1.798 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.361 -1.291 4.088 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.876 -1.918 0.744 1.00 0.00 C ATOM 0 H ILE A 87 -6.866 -2.575 3.409 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.006 -3.887 4.794 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.427 -2.814 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.198 -1.262 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.162 -2.963 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.918 -0.475 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.816 -1.546 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.329 -0.980 4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.398 -1.675 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.479 -2.818 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.515 -1.090 1.051 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.846 -5.656 3.156 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.135 -6.844 2.368 1.00 0.00 C ATOM 1382 C GLU A 88 -11.264 -6.561 1.386 1.00 0.00 C ATOM 1383 O GLU A 88 -12.402 -6.987 1.588 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.510 -8.015 3.276 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.170 -9.372 2.682 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.803 -10.518 3.447 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.926 -10.340 3.962 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.175 -11.595 3.529 1.00 0.00 O ATOM 0 H GLU A 88 -10.525 -5.462 3.892 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.238 -7.113 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.995 -7.905 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.579 -7.975 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.503 -9.404 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.088 -9.500 2.673 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.941 -5.826 0.326 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.922 -5.466 -0.690 1.00 0.00 C ATOM 1397 C HIS A 89 -12.679 -6.696 -1.193 1.00 0.00 C ATOM 1398 O HIS A 89 -12.071 -7.695 -1.572 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.229 -4.767 -1.859 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.066 -3.708 -2.502 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.646 -3.860 -3.742 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.426 -2.476 -2.068 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.328 -2.771 -4.045 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.210 -1.915 -3.045 1.00 0.00 N ATOM 0 H HIS A 89 -10.003 -5.467 0.149 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.644 -4.787 -0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.300 -4.320 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.960 -5.511 -2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.148 -2.021 -1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.887 -2.608 -4.955 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.633 -0.988 -3.006 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.024 -6.639 -1.206 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.853 -7.753 -1.672 1.00 0.00 C ATOM 1415 C PRO A 90 -14.836 -7.891 -3.192 1.00 0.00 C ATOM 1416 O PRO A 90 -15.268 -8.907 -3.737 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.251 -7.376 -1.185 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.244 -5.887 -1.145 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.840 -5.486 -0.777 1.00 0.00 C ATOM 0 HA PRO A 90 -14.499 -8.713 -1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.021 -7.751 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.456 -7.798 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.528 -5.470 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.960 -5.513 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.539 -4.570 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.743 -5.303 0.293 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.333 -6.864 -3.870 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.258 -6.870 -5.325 1.00 0.00 C ATOM 1429 C GLU A 91 -12.977 -7.548 -5.804 1.00 0.00 C ATOM 1430 O GLU A 91 -12.912 -8.050 -6.926 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.327 -5.439 -5.859 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.502 -5.191 -6.790 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.835 -5.527 -6.149 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -17.102 -5.023 -5.038 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.610 -6.294 -6.758 1.00 0.00 O ATOM 0 H GLU A 91 -13.971 -6.016 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.107 -7.437 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.390 -4.749 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.401 -5.213 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.504 -4.145 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.377 -5.787 -7.694 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.959 -7.555 -4.947 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.679 -8.168 -5.288 1.00 0.00 C ATOM 1444 C TYR A 92 -10.269 -9.191 -4.234 1.00 0.00 C ATOM 1445 O TYR A 92 -10.007 -10.352 -4.549 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.597 -7.092 -5.426 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.126 -5.768 -5.935 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.870 -5.703 -7.106 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.888 -4.588 -5.242 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.361 -4.500 -7.573 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.375 -3.380 -5.702 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.111 -3.341 -6.869 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.599 -2.140 -7.330 1.00 0.00 O ATOM 0 H TYR A 92 -11.996 -7.144 -4.014 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.791 -8.684 -6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.124 -6.937 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.823 -7.451 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.068 -6.608 -7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.313 -4.615 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.938 -4.467 -8.485 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.181 -2.471 -5.152 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.335 -1.423 -6.717 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.217 -8.752 -2.981 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.841 -9.641 -1.896 1.00 0.00 C ATOM 1465 C GLY A 93 -9.044 -8.932 -0.822 1.00 0.00 C ATOM 1466 O GLY A 93 -9.564 -8.057 -0.130 1.00 0.00 O ATOM 0 H GLY A 93 -10.429 -7.796 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.740 -10.071 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.254 -10.469 -2.294 1.00 0.00 H new ATOM 1470 N GLU A 94 -7.779 -9.306 -0.683 1.00 0.00 N ATOM 1471 CA GLU A 94 -6.906 -8.697 0.314 1.00 0.00 C ATOM 1472 C GLU A 94 -6.005 -7.647 -0.326 1.00 0.00 C ATOM 1473 O GLU A 94 -4.911 -7.959 -0.796 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.055 -9.767 0.999 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.478 -9.324 2.333 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.104 -8.696 2.194 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -3.413 -8.995 1.198 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.721 -7.905 3.082 1.00 0.00 O ATOM 0 H GLU A 94 -7.333 -10.029 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.532 -8.209 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.663 -10.659 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.238 -10.049 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.156 -8.608 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.415 -10.183 3.001 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.474 -6.403 -0.347 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.711 -5.312 -0.937 1.00 0.00 C ATOM 1487 C VAL A 95 -5.386 -4.241 0.098 1.00 0.00 C ATOM 1488 O VAL A 95 -6.240 -3.852 0.892 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.476 -4.665 -2.109 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.823 -5.711 -3.155 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.734 -3.964 -1.615 1.00 0.00 C ATOM 0 H VAL A 95 -7.378 -6.127 0.038 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.781 -5.742 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.830 -3.916 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.363 -5.239 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.907 -6.163 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.449 -6.482 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.256 -3.516 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.387 -4.688 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.461 -3.185 -0.903 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.150 -3.758 0.075 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.726 -2.722 1.007 1.00 0.00 C ATOM 1503 C ILE A 96 -4.327 -1.382 0.600 1.00 0.00 C ATOM 1504 O ILE A 96 -4.601 -1.152 -0.576 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.184 -2.631 1.078 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.645 -3.733 2.001 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.721 -1.250 1.543 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.363 -3.275 3.419 1.00 0.00 C ATOM 0 H ILE A 96 -3.427 -4.065 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.086 -2.984 2.002 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.783 -2.779 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.366 -4.550 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.727 -4.134 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.632 -1.225 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.078 -0.493 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.123 -1.047 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.986 -4.114 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.618 -2.480 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.282 -2.902 3.871 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.549 -0.510 1.575 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.139 0.794 1.306 1.00 0.00 C ATOM 1522 C GLN A 97 -4.259 1.925 1.829 1.00 0.00 C ATOM 1523 O GLN A 97 -4.257 2.220 3.024 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.529 0.883 1.943 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.640 1.189 0.952 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.980 1.409 1.627 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.983 0.801 1.254 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.003 2.283 2.627 1.00 0.00 N ATOM 0 H GLN A 97 -4.330 -0.682 2.556 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.224 0.904 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.750 -0.060 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.517 1.656 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.376 2.078 0.379 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.726 0.366 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.147 2.765 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.876 2.472 3.119 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.525 2.565 0.927 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.657 3.674 1.299 1.00 0.00 C ATOM 1539 C LEU A 98 -3.403 4.994 1.174 1.00 0.00 C ATOM 1540 O LEU A 98 -4.370 5.098 0.422 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.410 3.700 0.423 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.633 2.386 0.366 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.154 2.291 -0.932 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.292 2.263 1.568 1.00 0.00 C ATOM 0 H LEU A 98 -3.514 2.335 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.352 3.534 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.702 3.976 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.745 4.483 0.788 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.344 1.560 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.702 1.349 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.532 2.334 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.857 3.122 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.838 1.321 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.999 3.093 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.297 2.287 2.485 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.953 5.999 1.913 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.587 7.314 1.880 1.00 0.00 C ATOM 1558 C GLN A 99 -2.911 8.224 0.860 1.00 0.00 C ATOM 1559 O GLN A 99 -1.692 8.194 0.697 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.545 7.963 3.265 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.920 8.171 3.880 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.684 9.307 3.230 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.638 9.083 2.484 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.267 10.537 3.508 1.00 0.00 N ATOM 0 H GLN A 99 -2.153 5.931 2.542 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.626 7.176 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.948 7.340 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.039 8.926 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.497 7.251 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.810 8.375 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.472 10.677 4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.742 11.341 3.098 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.714 9.036 0.178 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.178 9.947 -0.817 1.00 0.00 C ATOM 1575 C GLY A 100 -2.866 9.257 -2.129 1.00 0.00 C ATOM 1576 O GLY A 100 -3.053 8.047 -2.261 1.00 0.00 O ATOM 0 H GLY A 100 -4.726 9.079 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.895 10.749 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.271 10.410 -0.429 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.387 10.025 -3.102 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.047 9.477 -4.408 1.00 0.00 C ATOM 1582 C ASP A 101 -0.647 8.873 -4.393 1.00 0.00 C ATOM 1583 O ASP A 101 0.312 9.482 -4.867 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.141 10.560 -5.484 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.218 11.732 -5.209 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.966 12.022 -4.021 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.749 12.359 -6.182 1.00 0.00 O ATOM 0 H ASP A 101 -2.226 11.028 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.762 8.688 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.895 10.127 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.169 10.918 -5.547 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.542 7.671 -3.840 1.00 0.00 N ATOM 1593 CA GLN A 102 0.731 6.971 -3.750 1.00 0.00 C ATOM 1594 C GLN A 102 0.955 6.077 -4.967 1.00 0.00 C ATOM 1595 O GLN A 102 1.837 5.221 -4.960 1.00 0.00 O ATOM 1596 CB GLN A 102 0.771 6.125 -2.474 1.00 0.00 C ATOM 1597 CG GLN A 102 1.396 6.831 -1.280 1.00 0.00 C ATOM 1598 CD GLN A 102 1.025 8.299 -1.191 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.255 8.597 -1.374 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.879 9.155 -0.962 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.330 7.158 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 102 1.526 7.716 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.245 5.828 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.329 5.210 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.084 6.328 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.481 6.740 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.852 8.881 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.613 10.138 -0.907 1.00 0.00 H new ATOM 1609 N ARG A 103 0.154 6.278 -6.011 1.00 0.00 N ATOM 1610 CA ARG A 103 0.273 5.484 -7.231 1.00 0.00 C ATOM 1611 C ARG A 103 1.726 5.387 -7.685 1.00 0.00 C ATOM 1612 O ARG A 103 2.129 4.407 -8.311 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.583 6.093 -8.344 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.112 7.466 -8.795 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.157 8.162 -9.651 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.213 7.607 -11.002 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.351 7.916 -11.967 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.637 8.772 -11.735 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -0.475 7.367 -13.167 1.00 0.00 N ATOM 0 H ARG A 103 -0.583 6.983 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.084 4.477 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.583 5.419 -9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.614 6.168 -7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.112 8.079 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.815 7.366 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.135 8.067 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.931 9.227 -9.705 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.957 6.943 -11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.738 9.196 -10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.295 9.005 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.231 6.708 -13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.186 7.604 -13.907 1.00 0.00 H new ATOM 1633 N LYS A 104 2.511 6.411 -7.361 1.00 0.00 N ATOM 1634 CA LYS A 104 3.921 6.440 -7.729 1.00 0.00 C ATOM 1635 C LYS A 104 4.805 6.074 -6.540 1.00 0.00 C ATOM 1636 O LYS A 104 5.950 5.656 -6.713 1.00 0.00 O ATOM 1637 CB LYS A 104 4.303 7.825 -8.254 1.00 0.00 C ATOM 1638 CG LYS A 104 3.618 8.195 -9.560 1.00 0.00 C ATOM 1639 CD LYS A 104 3.862 7.150 -10.638 1.00 0.00 C ATOM 1640 CE LYS A 104 5.348 6.960 -10.907 1.00 0.00 C ATOM 1641 NZ LYS A 104 5.623 6.669 -12.342 1.00 0.00 N ATOM 0 H LYS A 104 2.193 7.231 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 104 4.079 5.702 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.054 8.571 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.383 7.864 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.546 8.301 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.984 9.163 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.423 6.201 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.361 7.451 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.888 7.859 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.726 6.143 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.646 6.547 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.129 5.797 -12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.286 7.460 -12.927 1.00 0.00 H new ATOM 1655 N ASN A 105 4.270 6.234 -5.331 1.00 0.00 N ATOM 1656 CA ASN A 105 5.021 5.920 -4.120 1.00 0.00 C ATOM 1657 C ASN A 105 4.928 4.434 -3.787 1.00 0.00 C ATOM 1658 O ASN A 105 5.898 3.835 -3.323 1.00 0.00 O ATOM 1659 CB ASN A 105 4.501 6.749 -2.945 1.00 0.00 C ATOM 1660 CG ASN A 105 5.209 8.085 -2.821 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.406 8.142 -2.539 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.470 9.167 -3.030 1.00 0.00 N ATOM 0 H ASN A 105 3.324 6.578 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 105 6.067 6.168 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.431 6.918 -3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.630 6.185 -2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.891 10.093 -2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.481 9.072 -3.262 1.00 0.00 H new ATOM 1669 N ILE A 106 3.760 3.841 -4.022 1.00 0.00 N ATOM 1670 CA ILE A 106 3.562 2.427 -3.739 1.00 0.00 C ATOM 1671 C ILE A 106 4.417 1.559 -4.658 1.00 0.00 C ATOM 1672 O ILE A 106 5.182 0.718 -4.188 1.00 0.00 O ATOM 1673 CB ILE A 106 2.080 2.013 -3.848 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.892 0.576 -3.358 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.577 2.163 -5.277 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.538 0.297 -2.013 1.00 0.00 C ATOM 0 H ILE A 106 2.943 4.316 -4.405 1.00 0.00 H new ATOM 0 HA ILE A 106 3.876 2.267 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 106 1.492 2.676 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.825 0.362 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.307 -0.108 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.530 1.865 -5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.674 3.203 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.167 1.529 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.362 -0.742 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.611 0.477 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.106 0.954 -1.259 1.00 0.00 H new ATOM 1688 N CYS A 107 4.318 1.787 -5.968 1.00 0.00 N ATOM 1689 CA CYS A 107 5.129 1.035 -6.923 1.00 0.00 C ATOM 1690 C CYS A 107 6.596 1.197 -6.551 1.00 0.00 C ATOM 1691 O CYS A 107 7.406 0.280 -6.702 1.00 0.00 O ATOM 1692 CB CYS A 107 4.884 1.536 -8.348 1.00 0.00 C ATOM 1693 SG CYS A 107 3.297 1.026 -9.047 1.00 0.00 S ATOM 0 H CYS A 107 3.694 2.476 -6.387 1.00 0.00 H new ATOM 0 HA CYS A 107 4.853 -0.019 -6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.938 2.625 -8.353 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.686 1.174 -8.992 1.00 0.00 H new ATOM 0 HG CYS A 107 3.407 0.913 -10.337 1.00 0.00 H new ATOM 1699 N GLN A 108 6.910 2.378 -6.029 1.00 0.00 N ATOM 1700 CA GLN A 108 8.254 2.704 -5.585 1.00 0.00 C ATOM 1701 C GLN A 108 8.552 1.964 -4.283 1.00 0.00 C ATOM 1702 O GLN A 108 9.679 1.529 -4.043 1.00 0.00 O ATOM 1703 CB GLN A 108 8.375 4.226 -5.403 1.00 0.00 C ATOM 1704 CG GLN A 108 9.443 4.672 -4.416 1.00 0.00 C ATOM 1705 CD GLN A 108 10.806 4.835 -5.060 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.489 3.719 -5.284 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 11.238 5.949 -5.353 1.00 0.00 N flip ATOM 0 H GLN A 108 6.237 3.134 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 108 8.984 2.389 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.586 4.677 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.412 4.615 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.143 5.618 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.512 3.943 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.678 6.780 -5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.156 6.042 -5.787 1.00 0.00 H new ATOM 1716 N PHE A 109 7.524 1.818 -3.452 1.00 0.00 N ATOM 1717 CA PHE A 109 7.655 1.123 -2.178 1.00 0.00 C ATOM 1718 C PHE A 109 7.805 -0.377 -2.402 1.00 0.00 C ATOM 1719 O PHE A 109 8.662 -1.024 -1.800 1.00 0.00 O ATOM 1720 CB PHE A 109 6.435 1.394 -1.298 1.00 0.00 C ATOM 1721 CG PHE A 109 6.470 0.671 0.018 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.397 1.018 0.988 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.578 -0.355 0.283 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.433 0.354 2.199 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.610 -1.021 1.493 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.538 -0.666 2.452 1.00 0.00 C ATOM 0 H PHE A 109 6.587 2.174 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 109 8.547 1.496 -1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.362 2.466 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.535 1.102 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.099 1.816 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.850 -0.637 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.161 0.633 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.909 -1.819 1.689 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.564 -1.186 3.398 1.00 0.00 H new ATOM 1736 N LEU A 110 6.964 -0.921 -3.275 1.00 0.00 N ATOM 1737 CA LEU A 110 6.994 -2.344 -3.589 1.00 0.00 C ATOM 1738 C LEU A 110 8.371 -2.755 -4.096 1.00 0.00 C ATOM 1739 O LEU A 110 8.803 -3.890 -3.905 1.00 0.00 O ATOM 1740 CB LEU A 110 5.928 -2.677 -4.637 1.00 0.00 C ATOM 1741 CG LEU A 110 4.539 -3.011 -4.082 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.202 -2.129 -2.889 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.484 -2.857 -5.168 1.00 0.00 C ATOM 0 H LEU A 110 6.250 -0.395 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 110 6.781 -2.901 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.835 -1.830 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.277 -3.523 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 110 4.549 -4.048 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.211 -2.387 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.939 -2.285 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.213 -1.083 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.503 -3.098 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.483 -1.829 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.709 -3.534 -5.992 1.00 0.00 H new ATOM 1755 N VAL A 111 9.054 -1.820 -4.747 1.00 0.00 N ATOM 1756 CA VAL A 111 10.381 -2.082 -5.284 1.00 0.00 C ATOM 1757 C VAL A 111 11.467 -1.712 -4.277 1.00 0.00 C ATOM 1758 O VAL A 111 12.532 -2.327 -4.243 1.00 0.00 O ATOM 1759 CB VAL A 111 10.615 -1.303 -6.592 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.980 -1.630 -7.180 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.511 -1.603 -7.595 1.00 0.00 C ATOM 0 H VAL A 111 8.710 -0.875 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 111 10.437 -3.151 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 111 10.592 -0.237 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.123 -1.068 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.758 -1.359 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.038 -2.698 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.692 -1.044 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.500 -2.670 -7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.549 -1.309 -7.176 1.00 0.00 H new ATOM 1771 N GLU A 112 11.190 -0.702 -3.457 1.00 0.00 N ATOM 1772 CA GLU A 112 12.145 -0.252 -2.450 1.00 0.00 C ATOM 1773 C GLU A 112 12.292 -1.287 -1.339 1.00 0.00 C ATOM 1774 O GLU A 112 13.351 -1.400 -0.719 1.00 0.00 O ATOM 1775 CB GLU A 112 11.702 1.087 -1.856 1.00 0.00 C ATOM 1776 CG GLU A 112 11.965 2.274 -2.767 1.00 0.00 C ATOM 1777 CD GLU A 112 13.061 3.182 -2.244 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.114 2.659 -1.823 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.867 4.416 -2.255 1.00 0.00 O ATOM 0 H GLU A 112 10.313 -0.181 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 112 13.112 -0.124 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.636 1.041 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.220 1.244 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.240 1.912 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.046 2.849 -2.882 1.00 0.00 H new ATOM 1786 N ILE A 113 11.224 -2.034 -1.088 1.00 0.00 N ATOM 1787 CA ILE A 113 11.232 -3.057 -0.048 1.00 0.00 C ATOM 1788 C ILE A 113 11.345 -4.458 -0.644 1.00 0.00 C ATOM 1789 O ILE A 113 11.807 -5.389 0.015 1.00 0.00 O ATOM 1790 CB ILE A 113 9.959 -2.978 0.825 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.744 -3.525 0.063 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.712 -1.541 1.265 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.431 -3.348 0.796 1.00 0.00 C ATOM 0 H ILE A 113 10.340 -1.951 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 113 12.106 -2.866 0.575 1.00 0.00 H new ATOM 0 HB ILE A 113 10.108 -3.594 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.679 -3.027 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.899 -4.586 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.813 -1.498 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.564 -1.186 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.582 -0.909 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.620 -3.759 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.475 -3.870 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.252 -2.287 0.970 1.00 0.00 H new ATOM 1805 N GLY A 114 10.906 -4.602 -1.891 1.00 0.00 N ATOM 1806 CA GLY A 114 10.952 -5.894 -2.548 1.00 0.00 C ATOM 1807 C GLY A 114 9.650 -6.651 -2.390 1.00 0.00 C ATOM 1808 O GLY A 114 9.638 -7.880 -2.322 1.00 0.00 O ATOM 0 H GLY A 114 10.520 -3.847 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.166 -5.756 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.769 -6.484 -2.132 1.00 0.00 H new ATOM 1812 N LEU A 115 8.551 -5.907 -2.325 1.00 0.00 N ATOM 1813 CA LEU A 115 7.229 -6.496 -2.165 1.00 0.00 C ATOM 1814 C LEU A 115 6.732 -7.088 -3.480 1.00 0.00 C ATOM 1815 O LEU A 115 6.649 -8.307 -3.631 1.00 0.00 O ATOM 1816 CB LEU A 115 6.242 -5.440 -1.658 1.00 0.00 C ATOM 1817 CG LEU A 115 5.225 -5.932 -0.626 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.918 -6.698 0.494 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.432 -4.763 -0.064 1.00 0.00 C ATOM 0 H LEU A 115 8.552 -4.889 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 115 7.300 -7.301 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.809 -4.618 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.700 -5.034 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 115 4.533 -6.612 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.175 -7.038 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.440 -7.559 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.635 -6.045 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.713 -5.130 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.112 -4.059 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.902 -4.261 -0.873 1.00 0.00 H new ATOM 1831 N ALA A 116 6.408 -6.218 -4.429 1.00 0.00 N ATOM 1832 CA ALA A 116 5.926 -6.656 -5.731 1.00 0.00 C ATOM 1833 C ALA A 116 7.089 -6.867 -6.693 1.00 0.00 C ATOM 1834 O ALA A 116 8.251 -6.854 -6.286 1.00 0.00 O ATOM 1835 CB ALA A 116 4.948 -5.639 -6.302 1.00 0.00 C ATOM 0 H ALA A 116 6.471 -5.206 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 116 5.409 -7.607 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.596 -5.980 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.099 -5.531 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.447 -4.677 -6.413 1.00 0.00 H new ATOM 1841 N LYS A 117 6.776 -7.051 -7.971 1.00 0.00 N ATOM 1842 CA LYS A 117 7.803 -7.252 -8.985 1.00 0.00 C ATOM 1843 C LYS A 117 7.754 -6.135 -10.020 1.00 0.00 C ATOM 1844 O LYS A 117 6.681 -5.632 -10.351 1.00 0.00 O ATOM 1845 CB LYS A 117 7.626 -8.608 -9.666 1.00 0.00 C ATOM 1846 CG LYS A 117 8.269 -9.757 -8.905 1.00 0.00 C ATOM 1847 CD LYS A 117 9.580 -10.187 -9.543 1.00 0.00 C ATOM 1848 CE LYS A 117 10.774 -9.567 -8.834 1.00 0.00 C ATOM 1849 NZ LYS A 117 11.897 -10.536 -8.688 1.00 0.00 N ATOM 0 H LYS A 117 5.821 -7.065 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 117 8.776 -7.233 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.561 -8.811 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.054 -8.561 -10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.448 -9.456 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.583 -10.604 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.661 -11.274 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.588 -9.896 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.116 -8.696 -9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.468 -9.214 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.692 -10.076 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.578 -11.356 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.206 -10.854 -9.629 1.00 0.00 H new ATOM 1863 N ASP A 118 8.920 -5.745 -10.524 1.00 0.00 N ATOM 1864 CA ASP A 118 8.998 -4.680 -11.518 1.00 0.00 C ATOM 1865 C ASP A 118 8.108 -4.988 -12.717 1.00 0.00 C ATOM 1866 O ASP A 118 7.563 -4.081 -13.346 1.00 0.00 O ATOM 1867 CB ASP A 118 10.441 -4.473 -11.979 1.00 0.00 C ATOM 1868 CG ASP A 118 11.425 -4.463 -10.825 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.119 -3.836 -9.788 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.502 -5.082 -10.957 1.00 0.00 O ATOM 0 H ASP A 118 9.820 -6.148 -10.262 1.00 0.00 H new ATOM 0 HA ASP A 118 8.645 -3.762 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.713 -5.265 -12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.514 -3.531 -12.522 1.00 0.00 H new ATOM 1875 N ASP A 119 7.956 -6.272 -13.022 1.00 0.00 N ATOM 1876 CA ASP A 119 7.120 -6.693 -14.139 1.00 0.00 C ATOM 1877 C ASP A 119 5.648 -6.700 -13.734 1.00 0.00 C ATOM 1878 O ASP A 119 4.759 -6.658 -14.584 1.00 0.00 O ATOM 1879 CB ASP A 119 7.541 -8.080 -14.634 1.00 0.00 C ATOM 1880 CG ASP A 119 7.360 -9.158 -13.583 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.862 -8.840 -12.484 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.716 -10.322 -13.861 1.00 0.00 O ATOM 0 H ASP A 119 8.399 -7.037 -12.513 1.00 0.00 H new ATOM 0 HA ASP A 119 7.253 -5.980 -14.952 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.957 -8.338 -15.517 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.587 -8.050 -14.941 1.00 0.00 H new ATOM 1887 N GLN A 120 5.399 -6.744 -12.426 1.00 0.00 N ATOM 1888 CA GLN A 120 4.039 -6.746 -11.903 1.00 0.00 C ATOM 1889 C GLN A 120 3.537 -5.324 -11.670 1.00 0.00 C ATOM 1890 O GLN A 120 2.353 -5.109 -11.417 1.00 0.00 O ATOM 1891 CB GLN A 120 3.971 -7.526 -10.592 1.00 0.00 C ATOM 1892 CG GLN A 120 4.170 -9.024 -10.748 1.00 0.00 C ATOM 1893 CD GLN A 120 3.966 -9.763 -9.441 1.00 0.00 C ATOM 1894 OE1 GLN A 120 2.825 -9.523 -8.804 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.820 -10.538 -9.009 1.00 0.00 N flip ATOM 0 H GLN A 120 6.125 -6.779 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 120 3.402 -7.227 -12.645 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.730 -7.139 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.003 -7.346 -10.125 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.473 -9.407 -11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.175 -9.219 -11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.682 -10.691 -9.533 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.666 -11.027 -8.127 1.00 0.00 H new ATOM 1904 N LEU A 121 4.446 -4.355 -11.749 1.00 0.00 N ATOM 1905 CA LEU A 121 4.098 -2.952 -11.539 1.00 0.00 C ATOM 1906 C LEU A 121 2.873 -2.559 -12.361 1.00 0.00 C ATOM 1907 O LEU A 121 2.994 -2.158 -13.520 1.00 0.00 O ATOM 1908 CB LEU A 121 5.282 -2.052 -11.900 1.00 0.00 C ATOM 1909 CG LEU A 121 6.432 -2.057 -10.889 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.703 -1.507 -11.523 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.057 -1.256 -9.648 1.00 0.00 C ATOM 0 H LEU A 121 5.431 -4.516 -11.957 1.00 0.00 H new ATOM 0 HA LEU A 121 3.857 -2.820 -10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.670 -2.360 -12.871 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.921 -1.030 -12.011 1.00 0.00 H new ATOM 0 HG LEU A 121 6.620 -3.087 -10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.510 -1.518 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.980 -2.125 -12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.530 -0.484 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.886 -1.271 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.840 -0.226 -9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.176 -1.697 -9.183 1.00 0.00 H new ATOM 1923 N LYS A 122 1.696 -2.679 -11.756 1.00 0.00 N ATOM 1924 CA LYS A 122 0.452 -2.340 -12.430 1.00 0.00 C ATOM 1925 C LYS A 122 -0.221 -1.146 -11.759 1.00 0.00 C ATOM 1926 O LYS A 122 -1.093 -1.313 -10.907 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.488 -3.545 -12.431 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.438 -4.347 -13.721 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.969 -3.546 -14.900 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.042 -3.639 -16.102 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.208 -2.480 -17.023 1.00 0.00 N ATOM 0 H LYS A 122 1.579 -3.009 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 122 0.681 -2.067 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.232 -4.197 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.509 -3.201 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.589 -4.652 -13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.024 -5.259 -13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.958 -3.912 -15.174 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.085 -2.502 -14.609 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.992 -3.686 -15.760 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.241 -4.564 -16.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.441 -2.581 -17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.188 -2.450 -17.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.007 -1.599 -16.514 1.00 0.00 H new ATOM 1945 N VAL A 123 0.194 0.057 -12.143 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.366 1.277 -11.573 1.00 0.00 C ATOM 1947 C VAL A 123 -1.496 1.826 -12.438 1.00 0.00 C ATOM 1948 O VAL A 123 -1.312 2.076 -13.630 1.00 0.00 O ATOM 1949 CB VAL A 123 0.716 2.363 -11.404 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.293 2.765 -12.753 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.151 3.573 -10.675 1.00 0.00 C ATOM 0 H VAL A 123 0.916 0.213 -12.846 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.764 1.014 -10.593 1.00 0.00 H new ATOM 0 HB VAL A 123 1.524 1.949 -10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.054 3.532 -12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.741 1.894 -13.231 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.498 3.157 -13.387 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.929 4.328 -10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.679 3.988 -11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.203 3.271 -9.689 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.666 2.011 -11.833 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.823 2.530 -12.555 1.00 0.00 C ATOM 1963 C HIS A 124 -4.471 3.689 -11.807 1.00 0.00 C ATOM 1964 O HIS A 124 -5.425 3.498 -11.052 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.847 1.420 -12.775 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.248 0.167 -13.329 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.450 -0.253 -14.625 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.440 -0.755 -12.756 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.794 -1.381 -14.826 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.172 -1.708 -13.708 1.00 0.00 N ATOM 0 H HIS A 124 -2.838 1.810 -10.848 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.475 2.900 -13.520 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.336 1.193 -11.828 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.620 1.777 -13.456 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.017 0.231 -15.320 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.074 -0.744 -11.740 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.770 -1.942 -15.749 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.952 4.891 -12.027 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.500 6.062 -11.370 1.00 0.00 C ATOM 1981 C GLY A 125 -5.916 6.361 -11.821 1.00 0.00 C ATOM 1982 O GLY A 125 -6.168 6.558 -13.010 1.00 0.00 O ATOM 0 H GLY A 125 -3.163 5.075 -12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.489 5.910 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.865 6.923 -11.577 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.844 6.391 -10.868 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.249 6.665 -11.164 1.00 0.00 C ATOM 1988 C PHE A 126 -8.397 7.838 -12.134 1.00 0.00 C ATOM 1989 O PHE A 126 -9.125 7.686 -13.138 1.00 0.00 O ATOM 1990 CB PHE A 126 -9.016 6.954 -9.868 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.755 8.321 -9.298 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.459 8.770 -9.098 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.809 9.157 -8.964 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.220 10.028 -8.576 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.575 10.415 -8.441 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.279 10.850 -8.248 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.784 8.895 -11.879 1.00 0.00 O ATOM 0 H PHE A 126 -6.648 6.228 -9.880 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.669 5.779 -11.641 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.084 6.848 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.749 6.204 -9.124 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.627 8.130 -9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.825 8.822 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.206 10.367 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.405 11.057 -8.184 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.094 11.833 -7.841 1.00 0.00 H new