USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 CYS SG : rot 171:sc= -1.1 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.41 F(o=-7.5!,f=-3.5) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.867 K(o=1.1,f=0.3) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.257 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.6 X(o=-4.9,f=-5.2!) USER MOD Set 3.2: A 59 THR OG1 : rot 34:sc= 0.507 USER MOD Set 3.3: A 97 GLN : amide:sc= -3.8! C(o=-4.9!,f=-9.3!) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -5.64! C(o=-14!,f=-13!) USER MOD Set 4.2: A 122 LYS NZ :NH3+ 175:sc= -2.37 (180deg=-1.39) USER MOD Set 4.3: A 124 HIS : no HE2:sc= -5.67! C(o=-14!,f=-19!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 63:sc= -0.256 USER MOD Single : A 61 GLN : amide:sc= -6.01! C(o=-6!,f=-6.5!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -0.0552 (180deg=-0.414) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0623) USER MOD Single : A 79 LYS NZ :NH3+ 146:sc= 0.449 (180deg=0.098) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.06 F(o=-2.7!,f=-1.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 89 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-5.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0216 K(o=-0.022,f=-6.6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.228 K(o=-0.23,f=-0.8) USER MOD Single : A 107 CYS SG : rot -94:sc= 0.569 USER MOD Single : A 108 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.7 F(o=-3.2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.853 -12.524 -13.197 1.00 0.00 N ATOM 607 CA ASP A 42 1.501 -12.228 -11.810 1.00 0.00 C ATOM 608 C ASP A 42 1.757 -10.759 -11.495 1.00 0.00 C ATOM 609 O ASP A 42 2.757 -10.412 -10.869 1.00 0.00 O ATOM 610 CB ASP A 42 2.304 -13.116 -10.857 1.00 0.00 C ATOM 611 CG ASP A 42 1.499 -13.535 -9.643 1.00 0.00 C ATOM 612 OD1 ASP A 42 0.553 -12.806 -9.277 1.00 0.00 O ATOM 613 OD2 ASP A 42 1.814 -14.592 -9.058 1.00 0.00 O ATOM 0 HA ASP A 42 0.439 -12.434 -11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.642 -14.005 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.196 -12.581 -10.531 1.00 0.00 H new ATOM 618 N TYR A 43 0.852 -9.900 -11.944 1.00 0.00 N ATOM 619 CA TYR A 43 0.985 -8.466 -11.725 1.00 0.00 C ATOM 620 C TYR A 43 0.482 -8.060 -10.344 1.00 0.00 C ATOM 621 O TYR A 43 -0.080 -8.872 -9.611 1.00 0.00 O ATOM 622 CB TYR A 43 0.218 -7.697 -12.798 1.00 0.00 C ATOM 623 CG TYR A 43 0.862 -7.720 -14.170 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.076 -8.362 -14.398 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.245 -7.094 -15.246 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.652 -8.375 -15.655 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.812 -7.101 -16.503 1.00 0.00 C ATOM 628 CZ TYR A 43 2.016 -7.744 -16.704 1.00 0.00 C ATOM 629 OH TYR A 43 2.587 -7.755 -17.956 1.00 0.00 O ATOM 0 H TYR A 43 0.017 -10.172 -12.463 1.00 0.00 H new ATOM 0 HA TYR A 43 2.045 -8.220 -11.785 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.787 -8.112 -12.875 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.112 -6.660 -12.478 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.576 -8.858 -13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.699 -6.591 -15.095 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.595 -8.877 -15.815 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.317 -6.606 -17.325 1.00 0.00 H new ATOM 0 HH TYR A 43 2.012 -7.267 -18.582 1.00 0.00 H new ATOM 639 N ILE A 44 0.679 -6.787 -10.006 1.00 0.00 N ATOM 640 CA ILE A 44 0.239 -6.255 -8.722 1.00 0.00 C ATOM 641 C ILE A 44 -0.524 -4.948 -8.923 1.00 0.00 C ATOM 642 O ILE A 44 0.035 -3.859 -8.799 1.00 0.00 O ATOM 643 CB ILE A 44 1.428 -6.025 -7.765 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.201 -7.328 -7.553 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.943 -5.473 -6.432 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.347 -8.460 -7.023 1.00 0.00 C ATOM 0 H ILE A 44 1.142 -6.105 -10.607 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.422 -6.994 -8.269 1.00 0.00 H new ATOM 0 HB ILE A 44 2.097 -5.293 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.648 -7.633 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.020 -7.146 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.795 -5.317 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.433 -4.524 -6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.253 -6.182 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.962 -9.351 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.921 -8.175 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.543 -8.670 -7.728 1.00 0.00 H new ATOM 658 N HIS A 45 -1.802 -5.079 -9.257 1.00 0.00 N ATOM 659 CA HIS A 45 -2.671 -3.933 -9.508 1.00 0.00 C ATOM 660 C HIS A 45 -2.655 -2.925 -8.362 1.00 0.00 C ATOM 661 O HIS A 45 -2.680 -3.290 -7.188 1.00 0.00 O ATOM 662 CB HIS A 45 -4.104 -4.411 -9.747 1.00 0.00 C ATOM 663 CG HIS A 45 -4.581 -4.216 -11.149 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.282 -5.087 -12.176 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.354 -3.245 -11.693 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.849 -4.661 -13.291 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.506 -3.547 -13.024 1.00 0.00 N ATOM 0 H HIS A 45 -2.266 -5.981 -9.362 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.288 -3.428 -10.394 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.170 -5.469 -9.495 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.772 -3.879 -9.069 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.772 -2.393 -11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.786 -5.142 -14.256 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.040 -2.999 -13.698 1.00 0.00 H new ATOM 676 N ILE A 46 -2.641 -1.650 -8.732 1.00 0.00 N ATOM 677 CA ILE A 46 -2.656 -0.554 -7.761 1.00 0.00 C ATOM 678 C ILE A 46 -4.083 0.007 -7.625 1.00 0.00 C ATOM 679 O ILE A 46 -4.913 -0.589 -6.937 1.00 0.00 O ATOM 680 CB ILE A 46 -1.671 0.567 -8.158 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.243 0.015 -8.239 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.746 1.727 -7.173 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.362 -0.327 -6.892 1.00 0.00 C ATOM 0 H ILE A 46 -2.619 -1.344 -9.705 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.333 -0.950 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.953 0.942 -9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.245 -0.879 -8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.392 0.749 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.044 2.505 -7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.757 2.134 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.491 1.373 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.372 -0.711 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.398 0.568 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.248 -1.085 -6.401 1.00 0.00 H new ATOM 695 N ARG A 47 -4.378 1.135 -8.296 1.00 0.00 N ATOM 696 CA ARG A 47 -5.712 1.742 -8.263 1.00 0.00 C ATOM 697 C ARG A 47 -5.889 2.685 -7.078 1.00 0.00 C ATOM 698 O ARG A 47 -5.729 2.293 -5.922 1.00 0.00 O ATOM 699 CB ARG A 47 -6.804 0.666 -8.241 1.00 0.00 C ATOM 700 CG ARG A 47 -8.003 0.998 -9.113 1.00 0.00 C ATOM 701 CD ARG A 47 -9.078 1.729 -8.326 1.00 0.00 C ATOM 702 NE ARG A 47 -10.306 1.895 -9.101 1.00 0.00 N ATOM 703 CZ ARG A 47 -11.291 2.724 -8.762 1.00 0.00 C ATOM 704 NH1 ARG A 47 -11.196 3.464 -7.664 1.00 0.00 N ATOM 705 NH2 ARG A 47 -12.372 2.813 -9.523 1.00 0.00 N ATOM 0 H ARG A 47 -3.704 1.643 -8.869 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.809 2.332 -9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.376 -0.281 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.141 0.523 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.684 1.614 -9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.417 0.080 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.298 1.176 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.704 2.708 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.415 1.343 -9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.365 3.399 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.954 4.098 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.449 2.247 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.127 3.448 -9.264 1.00 0.00 H new ATOM 719 N ILE A 48 -6.240 3.930 -7.387 1.00 0.00 N ATOM 720 CA ILE A 48 -6.468 4.949 -6.367 1.00 0.00 C ATOM 721 C ILE A 48 -7.966 5.210 -6.204 1.00 0.00 C ATOM 722 O ILE A 48 -8.748 4.981 -7.126 1.00 0.00 O ATOM 723 CB ILE A 48 -5.746 6.274 -6.726 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.280 6.217 -6.294 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.433 7.475 -6.085 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.509 7.475 -6.631 1.00 0.00 C ATOM 0 H ILE A 48 -6.374 4.259 -8.343 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.060 4.576 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.795 6.394 -7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.231 6.046 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.799 5.365 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.901 8.387 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.462 7.536 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.427 7.362 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.477 7.369 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.528 7.636 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.967 8.328 -6.129 1.00 0.00 H new ATOM 738 N GLN A 49 -8.356 5.698 -5.031 1.00 0.00 N ATOM 739 CA GLN A 49 -9.757 5.999 -4.757 1.00 0.00 C ATOM 740 C GLN A 49 -9.887 7.318 -4.001 1.00 0.00 C ATOM 741 O GLN A 49 -9.697 7.372 -2.786 1.00 0.00 O ATOM 742 CB GLN A 49 -10.405 4.865 -3.960 1.00 0.00 C ATOM 743 CG GLN A 49 -9.815 4.679 -2.571 1.00 0.00 C ATOM 744 CD GLN A 49 -9.600 3.220 -2.219 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.623 2.604 -2.645 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.515 2.659 -1.436 1.00 0.00 N ATOM 0 H GLN A 49 -7.723 5.893 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.277 6.095 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.473 5.062 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.299 3.934 -4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.864 5.207 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.479 5.133 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.309 3.207 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.423 1.680 -1.165 1.00 0.00 H new ATOM 755 N GLN A 50 -10.201 8.382 -4.732 1.00 0.00 N ATOM 756 CA GLN A 50 -10.347 9.704 -4.134 1.00 0.00 C ATOM 757 C GLN A 50 -11.811 10.024 -3.853 1.00 0.00 C ATOM 758 O GLN A 50 -12.611 10.183 -4.775 1.00 0.00 O ATOM 759 CB GLN A 50 -9.743 10.768 -5.052 1.00 0.00 C ATOM 760 CG GLN A 50 -8.879 11.781 -4.321 1.00 0.00 C ATOM 761 CD GLN A 50 -8.218 12.772 -5.258 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.814 13.212 -6.241 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.975 13.128 -4.952 1.00 0.00 N ATOM 0 H GLN A 50 -10.359 8.355 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.812 9.705 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.143 10.277 -5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.549 11.293 -5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.492 12.322 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.111 11.255 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.521 12.737 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.475 13.792 -5.543 1.00 0.00 H new ATOM 772 N ARG A 51 -12.152 10.124 -2.572 1.00 0.00 N ATOM 773 CA ARG A 51 -13.518 10.433 -2.166 1.00 0.00 C ATOM 774 C ARG A 51 -13.673 11.929 -1.920 1.00 0.00 C ATOM 775 O ARG A 51 -12.973 12.507 -1.089 1.00 0.00 O ATOM 776 CB ARG A 51 -13.896 9.651 -0.901 1.00 0.00 C ATOM 777 CG ARG A 51 -13.132 8.346 -0.731 1.00 0.00 C ATOM 778 CD ARG A 51 -14.020 7.243 -0.178 1.00 0.00 C ATOM 779 NE ARG A 51 -13.940 6.024 -0.980 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.367 5.936 -2.238 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.906 6.989 -2.839 1.00 0.00 N ATOM 782 NH2 ARG A 51 -14.255 4.790 -2.896 1.00 0.00 N ATOM 0 H ARG A 51 -11.501 9.995 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.189 10.137 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.718 10.281 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.964 9.435 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.723 8.036 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.287 8.504 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.727 7.022 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.053 7.590 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.534 5.193 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.995 7.872 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.231 6.915 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.842 3.977 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.582 4.721 -3.860 1.00 0.00 H new ATOM 796 N ASN A 52 -14.590 12.554 -2.654 1.00 0.00 N ATOM 797 CA ASN A 52 -14.833 13.988 -2.523 1.00 0.00 C ATOM 798 C ASN A 52 -13.695 14.792 -3.152 1.00 0.00 C ATOM 799 O ASN A 52 -13.480 15.953 -2.808 1.00 0.00 O ATOM 800 CB ASN A 52 -14.996 14.376 -1.051 1.00 0.00 C ATOM 801 CG ASN A 52 -15.854 15.613 -0.870 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.727 15.902 -1.689 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.612 16.349 0.208 1.00 0.00 N ATOM 0 H ASN A 52 -15.178 12.089 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.757 14.221 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.443 13.544 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.013 14.552 -0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.160 17.191 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.879 16.072 0.860 1.00 0.00 H new ATOM 810 N GLY A 53 -12.973 14.164 -4.074 1.00 0.00 N ATOM 811 CA GLY A 53 -11.869 14.832 -4.739 1.00 0.00 C ATOM 812 C GLY A 53 -10.789 15.272 -3.772 1.00 0.00 C ATOM 813 O GLY A 53 -10.290 16.393 -3.857 1.00 0.00 O ATOM 0 H GLY A 53 -13.133 13.202 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.436 14.161 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.246 15.701 -5.277 1.00 0.00 H new ATOM 817 N ARG A 54 -10.424 14.385 -2.852 1.00 0.00 N ATOM 818 CA ARG A 54 -9.393 14.693 -1.870 1.00 0.00 C ATOM 819 C ARG A 54 -9.015 13.455 -1.063 1.00 0.00 C ATOM 820 O ARG A 54 -7.838 13.215 -0.795 1.00 0.00 O ATOM 821 CB ARG A 54 -9.870 15.810 -0.937 1.00 0.00 C ATOM 822 CG ARG A 54 -10.944 15.374 0.047 1.00 0.00 C ATOM 823 CD ARG A 54 -11.330 16.505 0.986 1.00 0.00 C ATOM 824 NE ARG A 54 -10.161 17.143 1.585 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.182 18.348 2.149 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.307 19.049 2.192 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.073 18.853 2.673 1.00 0.00 N ATOM 0 H ARG A 54 -10.825 13.451 -2.767 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.505 15.031 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.016 16.195 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.255 16.633 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.825 15.037 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.584 14.524 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.908 17.249 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.975 16.117 1.774 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.277 16.635 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.163 18.665 1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.316 19.972 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.205 18.318 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.088 19.777 3.106 1.00 0.00 H new ATOM 841 N LYS A 55 -10.018 12.672 -0.681 1.00 0.00 N ATOM 842 CA LYS A 55 -9.782 11.458 0.092 1.00 0.00 C ATOM 843 C LYS A 55 -9.156 10.376 -0.782 1.00 0.00 C ATOM 844 O LYS A 55 -9.751 9.322 -1.008 1.00 0.00 O ATOM 845 CB LYS A 55 -11.092 10.951 0.697 1.00 0.00 C ATOM 846 CG LYS A 55 -11.703 11.904 1.712 1.00 0.00 C ATOM 847 CD LYS A 55 -10.951 11.871 3.033 1.00 0.00 C ATOM 848 CE LYS A 55 -10.144 13.141 3.249 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.585 13.217 4.627 1.00 0.00 N ATOM 0 H LYS A 55 -10.999 12.855 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.089 11.696 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.810 10.778 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.913 9.989 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.693 12.918 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.747 11.638 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.659 11.745 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.285 11.008 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.330 13.182 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.777 14.009 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.042 14.097 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.362 13.204 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.960 12.403 4.794 1.00 0.00 H new ATOM 863 N THR A 56 -7.949 10.643 -1.270 1.00 0.00 N ATOM 864 CA THR A 56 -7.239 9.696 -2.120 1.00 0.00 C ATOM 865 C THR A 56 -6.733 8.515 -1.301 1.00 0.00 C ATOM 866 O THR A 56 -6.171 8.692 -0.222 1.00 0.00 O ATOM 867 CB THR A 56 -6.073 10.392 -2.828 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.212 11.801 -2.758 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.950 10.018 -4.289 1.00 0.00 C ATOM 0 H THR A 56 -7.442 11.510 -1.090 1.00 0.00 H new ATOM 0 HA THR A 56 -7.932 9.320 -2.873 1.00 0.00 H new ATOM 0 HB THR A 56 -5.177 10.056 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.325 12.217 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.105 10.546 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.792 8.943 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.864 10.295 -4.814 1.00 0.00 H new ATOM 877 N LEU A 57 -6.940 7.311 -1.820 1.00 0.00 N ATOM 878 CA LEU A 57 -6.506 6.102 -1.132 1.00 0.00 C ATOM 879 C LEU A 57 -6.028 5.046 -2.127 1.00 0.00 C ATOM 880 O LEU A 57 -6.833 4.335 -2.727 1.00 0.00 O ATOM 881 CB LEU A 57 -7.649 5.539 -0.282 1.00 0.00 C ATOM 882 CG LEU A 57 -7.594 5.906 1.202 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.981 5.827 1.821 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.625 4.994 1.941 1.00 0.00 C ATOM 0 H LEU A 57 -7.405 7.146 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.671 6.364 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.595 5.892 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.648 4.453 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.236 6.932 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.924 6.091 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.648 6.521 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.367 4.812 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.598 5.269 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.954 3.959 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.628 5.099 1.513 1.00 0.00 H new ATOM 896 N THR A 58 -4.714 4.949 -2.295 1.00 0.00 N ATOM 897 CA THR A 58 -4.131 3.979 -3.216 1.00 0.00 C ATOM 898 C THR A 58 -4.243 2.564 -2.656 1.00 0.00 C ATOM 899 O THR A 58 -3.972 2.333 -1.479 1.00 0.00 O ATOM 900 CB THR A 58 -2.663 4.315 -3.481 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.521 5.666 -3.888 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.033 3.446 -4.548 1.00 0.00 C ATOM 0 H THR A 58 -4.032 5.529 -1.806 1.00 0.00 H new ATOM 0 HA THR A 58 -4.685 4.028 -4.154 1.00 0.00 H new ATOM 0 HB THR A 58 -2.151 4.132 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.819 6.258 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.992 3.737 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.080 2.401 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.573 3.573 -5.486 1.00 0.00 H new ATOM 910 N THR A 59 -4.641 1.619 -3.502 1.00 0.00 N ATOM 911 CA THR A 59 -4.780 0.231 -3.076 1.00 0.00 C ATOM 912 C THR A 59 -3.821 -0.680 -3.834 1.00 0.00 C ATOM 913 O THR A 59 -3.425 -0.383 -4.960 1.00 0.00 O ATOM 914 CB THR A 59 -6.217 -0.256 -3.277 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.867 0.498 -4.285 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.058 -0.170 -2.023 1.00 0.00 C ATOM 0 H THR A 59 -4.872 1.788 -4.481 1.00 0.00 H new ATOM 0 HA THR A 59 -4.533 0.190 -2.015 1.00 0.00 H new ATOM 0 HB THR A 59 -6.129 -1.304 -3.565 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.216 0.757 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.065 -0.530 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.610 -0.784 -1.242 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.106 0.866 -1.688 1.00 0.00 H new ATOM 924 N VAL A 60 -3.458 -1.793 -3.206 1.00 0.00 N ATOM 925 CA VAL A 60 -2.550 -2.757 -3.818 1.00 0.00 C ATOM 926 C VAL A 60 -3.184 -4.141 -3.886 1.00 0.00 C ATOM 927 O VAL A 60 -3.560 -4.715 -2.864 1.00 0.00 O ATOM 928 CB VAL A 60 -1.219 -2.847 -3.048 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.281 -3.855 -3.699 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.566 -1.480 -2.968 1.00 0.00 C ATOM 0 H VAL A 60 -3.779 -2.050 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.348 -2.403 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.430 -3.192 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.652 -3.900 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.750 -4.839 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.072 -3.549 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.374 -1.557 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.371 -1.110 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.231 -0.789 -2.450 1.00 0.00 H new ATOM 940 N GLN A 61 -3.294 -4.674 -5.099 1.00 0.00 N ATOM 941 CA GLN A 61 -3.876 -5.996 -5.305 1.00 0.00 C ATOM 942 C GLN A 61 -2.852 -6.939 -5.924 1.00 0.00 C ATOM 943 O GLN A 61 -2.080 -6.546 -6.799 1.00 0.00 O ATOM 944 CB GLN A 61 -5.120 -5.915 -6.201 1.00 0.00 C ATOM 945 CG GLN A 61 -5.521 -4.497 -6.584 1.00 0.00 C ATOM 946 CD GLN A 61 -6.823 -4.434 -7.369 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.537 -3.432 -7.318 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.139 -5.497 -8.103 1.00 0.00 N ATOM 0 H GLN A 61 -2.988 -4.211 -5.954 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.175 -6.386 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.937 -6.487 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.956 -6.391 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.620 -3.897 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.724 -4.049 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.521 -6.308 -8.119 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.000 -5.501 -8.650 1.00 0.00 H new ATOM 957 N GLY A 62 -2.848 -8.183 -5.462 1.00 0.00 N ATOM 958 CA GLY A 62 -1.910 -9.163 -5.977 1.00 0.00 C ATOM 959 C GLY A 62 -0.887 -9.579 -4.940 1.00 0.00 C ATOM 960 O GLY A 62 -0.329 -10.673 -5.011 1.00 0.00 O ATOM 0 H GLY A 62 -3.478 -8.531 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.457 -10.042 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.397 -8.750 -6.845 1.00 0.00 H new ATOM 964 N ILE A 63 -0.645 -8.701 -3.970 1.00 0.00 N ATOM 965 CA ILE A 63 0.314 -8.978 -2.910 1.00 0.00 C ATOM 966 C ILE A 63 -0.198 -10.080 -1.987 1.00 0.00 C ATOM 967 O ILE A 63 -1.399 -10.196 -1.744 1.00 0.00 O ATOM 968 CB ILE A 63 0.615 -7.702 -2.084 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.443 -6.698 -2.904 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.331 -8.042 -0.780 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.423 -7.334 -3.869 1.00 0.00 C ATOM 0 H ILE A 63 -1.101 -7.792 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 63 1.237 -9.314 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.340 -7.240 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.763 -6.058 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.993 -6.054 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.528 -7.126 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.703 -8.702 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.274 -8.541 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.964 -6.554 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.130 -7.951 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.881 -7.955 -4.582 1.00 0.00 H new ATOM 983 N ALA A 64 0.728 -10.885 -1.478 1.00 0.00 N ATOM 984 CA ALA A 64 0.379 -11.979 -0.582 1.00 0.00 C ATOM 985 C ALA A 64 0.156 -11.473 0.838 1.00 0.00 C ATOM 986 O ALA A 64 0.866 -10.585 1.310 1.00 0.00 O ATOM 987 CB ALA A 64 1.468 -13.041 -0.601 1.00 0.00 C ATOM 0 H ALA A 64 1.726 -10.800 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.553 -12.423 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.196 -13.853 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.579 -13.430 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.411 -12.601 -0.276 1.00 0.00 H new ATOM 993 N ASP A 65 -0.834 -12.044 1.514 1.00 0.00 N ATOM 994 CA ASP A 65 -1.148 -11.652 2.882 1.00 0.00 C ATOM 995 C ASP A 65 -0.044 -12.082 3.847 1.00 0.00 C ATOM 996 O ASP A 65 -0.034 -11.676 5.010 1.00 0.00 O ATOM 997 CB ASP A 65 -2.483 -12.262 3.316 1.00 0.00 C ATOM 998 CG ASP A 65 -2.530 -13.762 3.101 1.00 0.00 C ATOM 999 OD1 ASP A 65 -1.800 -14.487 3.811 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.296 -14.214 2.224 1.00 0.00 O ATOM 0 H ASP A 65 -1.432 -12.779 1.137 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.223 -10.565 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.654 -12.043 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.293 -11.792 2.758 1.00 0.00 H new ATOM 1005 N ASP A 66 0.883 -12.907 3.364 1.00 0.00 N ATOM 1006 CA ASP A 66 1.983 -13.388 4.191 1.00 0.00 C ATOM 1007 C ASP A 66 3.227 -12.516 4.030 1.00 0.00 C ATOM 1008 O ASP A 66 4.348 -12.982 4.233 1.00 0.00 O ATOM 1009 CB ASP A 66 2.316 -14.838 3.839 1.00 0.00 C ATOM 1010 CG ASP A 66 3.050 -15.551 4.957 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.490 -15.646 6.070 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.185 -16.014 4.720 1.00 0.00 O ATOM 0 H ASP A 66 0.893 -13.255 2.405 1.00 0.00 H new ATOM 0 HA ASP A 66 1.663 -13.333 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.395 -15.375 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.927 -14.859 2.936 1.00 0.00 H new ATOM 1017 N TYR A 67 3.028 -11.250 3.668 1.00 0.00 N ATOM 1018 CA TYR A 67 4.141 -10.324 3.489 1.00 0.00 C ATOM 1019 C TYR A 67 4.503 -9.632 4.802 1.00 0.00 C ATOM 1020 O TYR A 67 4.944 -8.482 4.803 1.00 0.00 O ATOM 1021 CB TYR A 67 3.778 -9.271 2.442 1.00 0.00 C ATOM 1022 CG TYR A 67 3.981 -9.719 1.011 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.095 -11.065 0.679 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.057 -8.786 -0.009 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.280 -11.461 -0.634 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.241 -9.171 -1.321 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.352 -10.510 -1.630 1.00 0.00 C ATOM 1028 OH TYR A 67 4.536 -10.899 -2.937 1.00 0.00 O ATOM 0 H TYR A 67 2.109 -10.844 3.494 1.00 0.00 H new ATOM 0 HA TYR A 67 5.005 -10.898 3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.734 -8.987 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.377 -8.378 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.038 -11.812 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.971 -7.736 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.368 -12.510 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.298 -8.427 -2.102 1.00 0.00 H new ATOM 0 HH TYR A 67 4.563 -10.107 -3.513 1.00 0.00 H new ATOM 1038 N ASP A 68 4.313 -10.335 5.919 1.00 0.00 N ATOM 1039 CA ASP A 68 4.615 -9.792 7.242 1.00 0.00 C ATOM 1040 C ASP A 68 3.522 -8.835 7.725 1.00 0.00 C ATOM 1041 O ASP A 68 3.499 -8.458 8.896 1.00 0.00 O ATOM 1042 CB ASP A 68 5.968 -9.079 7.232 1.00 0.00 C ATOM 1043 CG ASP A 68 6.695 -9.198 8.558 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.409 -8.390 9.467 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.549 -10.100 8.687 1.00 0.00 O ATOM 0 H ASP A 68 3.949 -11.288 5.932 1.00 0.00 H new ATOM 0 HA ASP A 68 4.657 -10.631 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.590 -9.498 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.819 -8.025 6.996 1.00 0.00 H new ATOM 1050 N LYS A 69 2.616 -8.453 6.825 1.00 0.00 N ATOM 1051 CA LYS A 69 1.523 -7.548 7.168 1.00 0.00 C ATOM 1052 C LYS A 69 2.052 -6.206 7.670 1.00 0.00 C ATOM 1053 O LYS A 69 2.088 -5.226 6.924 1.00 0.00 O ATOM 1054 CB LYS A 69 0.621 -8.188 8.226 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.767 -8.535 7.711 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.970 -10.040 7.614 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.714 -10.581 8.824 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.158 -10.053 10.100 1.00 0.00 N ATOM 0 H LYS A 69 2.619 -8.758 5.852 1.00 0.00 H new ATOM 0 HA LYS A 69 0.941 -7.365 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.098 -9.094 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.526 -7.507 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.519 -8.108 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.915 -8.084 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.528 -10.275 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.002 -10.534 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.769 -10.315 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.659 -11.670 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.468 -10.655 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.119 -10.053 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.497 -9.082 10.251 1.00 0.00 H new ATOM 1072 N LYS A 70 2.459 -6.168 8.935 1.00 0.00 N ATOM 1073 CA LYS A 70 2.982 -4.947 9.538 1.00 0.00 C ATOM 1074 C LYS A 70 4.101 -4.349 8.688 1.00 0.00 C ATOM 1075 O LYS A 70 3.951 -3.269 8.122 1.00 0.00 O ATOM 1076 CB LYS A 70 3.490 -5.231 10.952 1.00 0.00 C ATOM 1077 CG LYS A 70 2.824 -4.379 12.019 1.00 0.00 C ATOM 1078 CD LYS A 70 1.371 -4.778 12.224 1.00 0.00 C ATOM 1079 CE LYS A 70 1.255 -6.139 12.894 1.00 0.00 C ATOM 1080 NZ LYS A 70 0.791 -6.026 14.304 1.00 0.00 N ATOM 0 H LYS A 70 2.436 -6.971 9.564 1.00 0.00 H new ATOM 0 HA LYS A 70 2.170 -4.222 9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.325 -6.283 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.566 -5.062 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.367 -4.481 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.877 -3.329 11.733 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.869 -4.027 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.860 -4.800 11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.560 -6.762 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.223 -6.639 12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.725 -6.975 14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.468 -5.453 14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.144 -5.572 14.326 1.00 0.00 H new ATOM 1094 N LYS A 71 5.221 -5.060 8.602 1.00 0.00 N ATOM 1095 CA LYS A 71 6.368 -4.599 7.823 1.00 0.00 C ATOM 1096 C LYS A 71 5.944 -4.120 6.434 1.00 0.00 C ATOM 1097 O LYS A 71 6.608 -3.279 5.830 1.00 0.00 O ATOM 1098 CB LYS A 71 7.405 -5.716 7.696 1.00 0.00 C ATOM 1099 CG LYS A 71 8.825 -5.262 7.994 1.00 0.00 C ATOM 1100 CD LYS A 71 9.842 -6.330 7.625 1.00 0.00 C ATOM 1101 CE LYS A 71 10.339 -7.075 8.855 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.193 -8.239 8.493 1.00 0.00 N ATOM 0 H LYS A 71 5.360 -5.959 9.063 1.00 0.00 H new ATOM 0 HA LYS A 71 6.811 -3.755 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.141 -6.526 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.367 -6.123 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.039 -4.348 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.916 -5.022 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.392 -7.037 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.686 -5.869 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.906 -6.392 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.486 -7.419 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.511 -8.719 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.645 -8.903 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.021 -7.909 7.957 1.00 0.00 H new ATOM 1116 N LEU A 72 4.839 -4.662 5.933 1.00 0.00 N ATOM 1117 CA LEU A 72 4.333 -4.289 4.618 1.00 0.00 C ATOM 1118 C LEU A 72 3.931 -2.817 4.578 1.00 0.00 C ATOM 1119 O LEU A 72 4.572 -2.007 3.907 1.00 0.00 O ATOM 1120 CB LEU A 72 3.137 -5.169 4.242 1.00 0.00 C ATOM 1121 CG LEU A 72 2.896 -5.338 2.740 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.584 -6.063 2.489 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.901 -3.986 2.043 1.00 0.00 C ATOM 0 H LEU A 72 4.277 -5.361 6.418 1.00 0.00 H new ATOM 0 HA LEU A 72 5.133 -4.443 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.280 -6.155 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.239 -4.745 4.692 1.00 0.00 H new ATOM 0 HG LEU A 72 3.706 -5.940 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.429 -6.174 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.618 -7.048 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.763 -5.488 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.728 -4.126 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.112 -3.359 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.866 -3.502 2.194 1.00 0.00 H new ATOM 1135 N VAL A 73 2.861 -2.477 5.290 1.00 0.00 N ATOM 1136 CA VAL A 73 2.372 -1.104 5.325 1.00 0.00 C ATOM 1137 C VAL A 73 3.140 -0.258 6.339 1.00 0.00 C ATOM 1138 O VAL A 73 3.423 0.913 6.092 1.00 0.00 O ATOM 1139 CB VAL A 73 0.867 -1.057 5.656 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.611 -1.484 7.095 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.304 0.330 5.392 1.00 0.00 C ATOM 0 H VAL A 73 2.317 -3.133 5.850 1.00 0.00 H new ATOM 0 HA VAL A 73 2.533 -0.688 4.330 1.00 0.00 H new ATOM 0 HB VAL A 73 0.354 -1.763 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.458 -1.442 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.969 -2.503 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.139 -0.813 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.759 0.343 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.825 1.058 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.442 0.585 4.341 1.00 0.00 H new ATOM 1151 N LYS A 74 3.474 -0.859 7.478 1.00 0.00 N ATOM 1152 CA LYS A 74 4.210 -0.155 8.525 1.00 0.00 C ATOM 1153 C LYS A 74 5.427 0.562 7.949 1.00 0.00 C ATOM 1154 O LYS A 74 5.695 1.717 8.283 1.00 0.00 O ATOM 1155 CB LYS A 74 4.651 -1.132 9.618 1.00 0.00 C ATOM 1156 CG LYS A 74 5.330 -0.456 10.800 1.00 0.00 C ATOM 1157 CD LYS A 74 4.714 -0.887 12.122 1.00 0.00 C ATOM 1158 CE LYS A 74 5.781 -1.169 13.168 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.403 -2.508 12.979 1.00 0.00 N ATOM 0 H LYS A 74 3.248 -1.829 7.699 1.00 0.00 H new ATOM 0 HA LYS A 74 3.544 0.589 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.780 -1.682 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.334 -1.863 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.393 -0.698 10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.250 0.626 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.045 -0.107 12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.108 -1.780 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.552 -0.400 13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.339 -1.111 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.125 -2.662 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.672 -3.244 13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.847 -2.555 12.040 1.00 0.00 H new ATOM 1173 N ALA A 75 6.155 -0.125 7.075 1.00 0.00 N ATOM 1174 CA ALA A 75 7.334 0.454 6.448 1.00 0.00 C ATOM 1175 C ALA A 75 6.952 1.671 5.614 1.00 0.00 C ATOM 1176 O ALA A 75 7.725 2.620 5.489 1.00 0.00 O ATOM 1177 CB ALA A 75 8.042 -0.581 5.587 1.00 0.00 C ATOM 0 H ALA A 75 5.949 -1.081 6.786 1.00 0.00 H new ATOM 0 HA ALA A 75 8.019 0.776 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.921 -0.131 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.349 -1.423 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.364 -0.932 4.809 1.00 0.00 H new ATOM 1183 N PHE A 76 5.748 1.635 5.051 1.00 0.00 N ATOM 1184 CA PHE A 76 5.253 2.735 4.235 1.00 0.00 C ATOM 1185 C PHE A 76 5.180 4.018 5.056 1.00 0.00 C ATOM 1186 O PHE A 76 5.606 5.082 4.607 1.00 0.00 O ATOM 1187 CB PHE A 76 3.872 2.397 3.672 1.00 0.00 C ATOM 1188 CG PHE A 76 3.579 3.072 2.364 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.949 2.479 1.166 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.936 4.300 2.331 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.685 3.098 -0.038 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.669 4.923 1.127 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.044 4.320 -0.058 1.00 0.00 C ATOM 0 H PHE A 76 5.098 0.855 5.146 1.00 0.00 H new ATOM 0 HA PHE A 76 5.945 2.888 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.796 1.318 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.112 2.684 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.449 1.522 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.641 4.774 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.980 2.627 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.168 5.880 1.112 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.836 4.805 -1.000 1.00 0.00 H new ATOM 1203 N LYS A 77 4.640 3.905 6.264 1.00 0.00 N ATOM 1204 CA LYS A 77 4.512 5.049 7.158 1.00 0.00 C ATOM 1205 C LYS A 77 5.875 5.499 7.682 1.00 0.00 C ATOM 1206 O LYS A 77 5.992 6.560 8.295 1.00 0.00 O ATOM 1207 CB LYS A 77 3.595 4.693 8.327 1.00 0.00 C ATOM 1208 CG LYS A 77 2.287 4.054 7.897 1.00 0.00 C ATOM 1209 CD LYS A 77 1.320 3.923 9.063 1.00 0.00 C ATOM 1210 CE LYS A 77 0.872 5.283 9.576 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.074 5.416 11.045 1.00 0.00 N ATOM 0 H LYS A 77 4.283 3.030 6.647 1.00 0.00 H new ATOM 0 HA LYS A 77 4.079 5.875 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.120 4.012 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.379 5.596 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.830 4.653 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.484 3.069 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.449 3.347 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.797 3.368 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.428 6.066 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.182 5.431 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.757 6.356 11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.524 4.684 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.083 5.300 11.269 1.00 0.00 H new ATOM 1225 N LYS A 78 6.903 4.691 7.440 1.00 0.00 N ATOM 1226 CA LYS A 78 8.252 5.015 7.889 1.00 0.00 C ATOM 1227 C LYS A 78 9.123 5.463 6.717 1.00 0.00 C ATOM 1228 O LYS A 78 10.147 6.119 6.910 1.00 0.00 O ATOM 1229 CB LYS A 78 8.886 3.803 8.572 1.00 0.00 C ATOM 1230 CG LYS A 78 9.836 4.170 9.702 1.00 0.00 C ATOM 1231 CD LYS A 78 9.483 3.441 10.989 1.00 0.00 C ATOM 1232 CE LYS A 78 10.375 3.879 12.140 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.059 5.263 12.589 1.00 0.00 N ATOM 0 H LYS A 78 6.827 3.808 6.936 1.00 0.00 H new ATOM 0 HA LYS A 78 8.184 5.835 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.096 3.164 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.428 3.219 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.858 3.925 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.802 5.246 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.440 3.632 11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.583 2.366 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.255 3.189 12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.419 3.827 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.577 5.470 13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.341 5.940 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.037 5.347 12.763 1.00 0.00 H new ATOM 1247 N LYS A 79 8.713 5.101 5.506 1.00 0.00 N ATOM 1248 CA LYS A 79 9.459 5.462 4.306 1.00 0.00 C ATOM 1249 C LYS A 79 8.902 6.731 3.668 1.00 0.00 C ATOM 1250 O LYS A 79 9.656 7.573 3.181 1.00 0.00 O ATOM 1251 CB LYS A 79 9.427 4.311 3.297 1.00 0.00 C ATOM 1252 CG LYS A 79 10.461 4.443 2.191 1.00 0.00 C ATOM 1253 CD LYS A 79 9.811 4.791 0.862 1.00 0.00 C ATOM 1254 CE LYS A 79 10.728 5.644 -0.002 1.00 0.00 C ATOM 1255 NZ LYS A 79 10.573 7.095 0.290 1.00 0.00 N ATOM 0 H LYS A 79 7.868 4.558 5.329 1.00 0.00 H new ATOM 0 HA LYS A 79 10.491 5.655 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.590 3.371 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.434 4.258 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.184 5.214 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.013 3.508 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.557 3.875 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.878 5.325 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.764 5.348 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.510 5.460 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.491 7.572 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.885 7.510 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.235 7.219 1.266 1.00 0.00 H new ATOM 1269 N PHE A 80 7.579 6.863 3.672 1.00 0.00 N ATOM 1270 CA PHE A 80 6.928 8.033 3.089 1.00 0.00 C ATOM 1271 C PHE A 80 6.261 8.891 4.159 1.00 0.00 C ATOM 1272 O PHE A 80 6.003 10.075 3.942 1.00 0.00 O ATOM 1273 CB PHE A 80 5.887 7.605 2.052 1.00 0.00 C ATOM 1274 CG PHE A 80 6.362 6.522 1.128 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.214 5.189 1.473 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.949 6.837 -0.087 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.645 4.188 0.623 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.382 5.840 -0.940 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.230 4.514 -0.585 1.00 0.00 C ATOM 0 H PHE A 80 6.938 6.177 4.071 1.00 0.00 H new ATOM 0 HA PHE A 80 7.700 8.629 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.992 7.261 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.599 8.474 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.757 4.929 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.069 7.872 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.524 3.152 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.839 6.098 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.568 3.734 -1.251 1.00 0.00 H new ATOM 1289 N ALA A 81 5.973 8.289 5.313 1.00 0.00 N ATOM 1290 CA ALA A 81 5.323 9.004 6.409 1.00 0.00 C ATOM 1291 C ALA A 81 3.840 9.195 6.119 1.00 0.00 C ATOM 1292 O ALA A 81 3.244 10.200 6.508 1.00 0.00 O ATOM 1293 CB ALA A 81 5.997 10.348 6.652 1.00 0.00 C ATOM 0 H ALA A 81 6.179 7.310 5.512 1.00 0.00 H new ATOM 0 HA ALA A 81 5.423 8.404 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.497 10.863 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.044 10.189 6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.933 10.956 5.749 1.00 0.00 H new ATOM 1299 N CYS A 82 3.254 8.222 5.432 1.00 0.00 N ATOM 1300 CA CYS A 82 1.839 8.272 5.085 1.00 0.00 C ATOM 1301 C CYS A 82 1.034 7.325 5.966 1.00 0.00 C ATOM 1302 O CYS A 82 1.534 6.823 6.970 1.00 0.00 O ATOM 1303 CB CYS A 82 1.641 7.910 3.611 1.00 0.00 C ATOM 1304 SG CYS A 82 2.783 8.746 2.485 1.00 0.00 S ATOM 0 H CYS A 82 3.738 7.387 5.103 1.00 0.00 H new ATOM 0 HA CYS A 82 1.483 9.288 5.252 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.756 6.832 3.494 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.619 8.155 3.322 1.00 0.00 H new ATOM 0 HG CYS A 82 2.669 8.237 1.294 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.215 7.082 5.583 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.085 6.192 6.331 1.00 0.00 C ATOM 1312 C ASN A 83 -1.602 5.083 5.420 1.00 0.00 C ATOM 1313 O ASN A 83 -2.272 5.349 4.422 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.243 6.994 6.945 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.507 6.176 7.129 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.182 5.887 6.024 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -3.872 5.812 8.247 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.646 7.493 4.755 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.524 5.728 7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.930 7.389 7.912 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.462 7.850 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.320 6.058 9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.726 5.264 8.351 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.283 3.840 5.763 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.723 2.719 4.955 1.00 0.00 C ATOM 1326 C GLY A 84 -2.471 1.678 5.760 1.00 0.00 C ATOM 1327 O GLY A 84 -2.101 1.371 6.893 1.00 0.00 O ATOM 0 H GLY A 84 -0.730 3.590 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.366 3.084 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.857 2.255 4.483 1.00 0.00 H new ATOM 1331 N THR A 85 -3.532 1.138 5.170 1.00 0.00 N ATOM 1332 CA THR A 85 -4.345 0.124 5.839 1.00 0.00 C ATOM 1333 C THR A 85 -4.429 -1.154 5.009 1.00 0.00 C ATOM 1334 O THR A 85 -3.889 -1.228 3.908 1.00 0.00 O ATOM 1335 CB THR A 85 -5.751 0.664 6.106 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.508 0.705 4.908 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.757 2.055 6.700 1.00 0.00 C ATOM 0 H THR A 85 -3.850 1.383 4.232 1.00 0.00 H new ATOM 0 HA THR A 85 -3.865 -0.116 6.788 1.00 0.00 H new ATOM 0 HB THR A 85 -6.191 -0.023 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.405 1.052 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.786 2.376 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.224 2.047 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.266 2.746 6.014 1.00 0.00 H new ATOM 1345 N VAL A 86 -5.106 -2.161 5.553 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.263 -3.440 4.875 1.00 0.00 C ATOM 1347 C VAL A 86 -6.742 -3.816 4.745 1.00 0.00 C ATOM 1348 O VAL A 86 -7.280 -4.553 5.570 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.516 -4.554 5.632 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -5.079 -4.732 7.034 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.567 -5.861 4.856 1.00 0.00 C ATOM 0 H VAL A 86 -5.556 -2.113 6.467 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.837 -3.337 3.877 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.472 -4.257 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.534 -5.524 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.973 -3.800 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.134 -4.999 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.033 -6.634 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.605 -6.163 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.099 -5.724 3.881 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.396 -3.299 3.709 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.813 -3.580 3.487 1.00 0.00 C ATOM 1363 C ILE A 87 -9.009 -4.823 2.623 1.00 0.00 C ATOM 1364 O ILE A 87 -8.150 -5.178 1.819 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.529 -2.389 2.815 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.965 -2.138 1.412 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.405 -1.140 3.671 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -10.007 -2.231 0.318 1.00 0.00 C ATOM 0 H ILE A 87 -6.971 -2.686 3.013 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.250 -3.753 4.471 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.586 -2.637 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.508 -1.149 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.174 -2.861 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.916 -0.311 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.858 -1.320 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.352 -0.891 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.538 -2.043 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.448 -3.228 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.786 -1.490 0.494 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.157 -5.472 2.789 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.479 -6.665 2.019 1.00 0.00 C ATOM 1382 C GLU A 88 -11.508 -6.339 0.943 1.00 0.00 C ATOM 1383 O GLU A 88 -12.685 -6.684 1.067 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.009 -7.766 2.937 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.763 -9.166 2.403 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.573 -10.219 3.133 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.817 -10.185 3.037 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.962 -11.080 3.802 1.00 0.00 O ATOM 0 H GLU A 88 -10.880 -5.190 3.451 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.568 -7.021 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.539 -7.671 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.080 -7.623 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.009 -9.195 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.703 -9.403 2.491 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.058 -5.664 -0.107 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.932 -5.275 -1.205 1.00 0.00 C ATOM 1397 C HIS A 89 -12.637 -6.487 -1.812 1.00 0.00 C ATOM 1398 O HIS A 89 -12.054 -7.565 -1.919 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.127 -4.552 -2.283 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.901 -3.484 -2.985 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.423 -3.644 -4.250 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.250 -2.237 -2.590 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.059 -2.542 -4.605 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.969 -1.672 -3.615 1.00 0.00 N ATOM 0 H HIS A 89 -10.087 -5.373 -0.221 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.693 -4.604 -0.806 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.241 -4.109 -1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.779 -5.280 -3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.008 -1.773 -1.645 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.566 -2.380 -5.545 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.368 -0.733 -3.612 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.908 -6.323 -2.220 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.689 -7.403 -2.819 1.00 0.00 C ATOM 1415 C PRO A 90 -14.393 -7.576 -4.306 1.00 0.00 C ATOM 1416 O PRO A 90 -14.533 -8.668 -4.855 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.126 -6.935 -2.610 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.044 -5.447 -2.671 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.686 -5.070 -2.131 1.00 0.00 C ATOM 0 HA PRO A 90 -14.467 -8.373 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.788 -7.328 -3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.518 -7.272 -1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.166 -5.093 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.837 -4.990 -2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.229 -4.274 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.750 -4.712 -1.104 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.984 -6.487 -4.951 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.669 -6.515 -6.375 1.00 0.00 C ATOM 1429 C GLU A 91 -12.267 -7.066 -6.620 1.00 0.00 C ATOM 1430 O GLU A 91 -11.957 -7.528 -7.718 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.785 -5.111 -6.972 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.044 -4.373 -6.547 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.392 -3.230 -7.480 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.939 -3.255 -8.644 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.115 -2.309 -7.047 1.00 0.00 O ATOM 0 H GLU A 91 -13.863 -5.575 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.387 -7.175 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.914 -4.526 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.766 -5.185 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.877 -5.075 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.910 -3.985 -5.537 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.420 -7.008 -5.595 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.050 -7.496 -5.711 1.00 0.00 C ATOM 1444 C TYR A 92 -9.784 -8.627 -4.723 1.00 0.00 C ATOM 1445 O TYR A 92 -9.239 -9.668 -5.089 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.063 -6.348 -5.480 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.538 -5.024 -6.037 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.179 -4.960 -7.268 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.352 -3.842 -5.332 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.620 -3.755 -7.782 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.792 -2.633 -5.839 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.424 -2.595 -7.063 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.863 -1.394 -7.571 1.00 0.00 O ATOM 0 H TYR A 92 -11.658 -6.629 -4.678 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.912 -7.889 -6.718 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.886 -6.241 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.107 -6.604 -5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.335 -5.867 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.856 -3.867 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.115 -3.722 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.641 -1.723 -5.278 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.648 -0.674 -6.941 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.175 -8.419 -3.470 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.972 -9.434 -2.453 1.00 0.00 C ATOM 1465 C GLY A 93 -8.658 -9.268 -1.716 1.00 0.00 C ATOM 1466 O GLY A 93 -7.595 -9.584 -2.249 1.00 0.00 O ATOM 0 H GLY A 93 -10.628 -7.567 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.793 -9.395 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.001 -10.419 -2.918 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.732 -8.771 -0.485 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.540 -8.564 0.331 1.00 0.00 C ATOM 1472 C GLU A 94 -6.543 -7.648 -0.374 1.00 0.00 C ATOM 1473 O GLU A 94 -5.716 -8.105 -1.162 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.876 -9.906 0.649 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.043 -9.886 1.920 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.237 -11.133 2.763 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -6.561 -12.193 2.188 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.062 -11.048 3.997 1.00 0.00 O ATOM 0 H GLU A 94 -9.605 -8.504 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.849 -8.086 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.647 -10.671 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.240 -10.195 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.989 -9.789 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.307 -9.008 2.510 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.627 -6.354 -0.083 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.732 -5.376 -0.687 1.00 0.00 C ATOM 1487 C VAL A 95 -5.396 -4.262 0.295 1.00 0.00 C ATOM 1488 O VAL A 95 -6.239 -3.846 1.087 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.353 -4.752 -1.952 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.521 -5.802 -3.040 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.687 -4.098 -1.621 1.00 0.00 C ATOM 0 H VAL A 95 -7.306 -5.959 0.568 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.821 -5.908 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.678 -3.982 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.961 -5.342 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.548 -6.221 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.175 -6.596 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.113 -3.662 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.371 -4.848 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.534 -3.315 -0.878 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.165 -3.772 0.235 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.736 -2.697 1.117 1.00 0.00 C ATOM 1503 C ILE A 96 -4.362 -1.381 0.672 1.00 0.00 C ATOM 1504 O ILE A 96 -4.770 -1.240 -0.479 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.193 -2.586 1.157 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.628 -3.643 2.119 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.740 -1.183 1.556 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.199 -3.097 3.465 1.00 0.00 C ATOM 0 H ILE A 96 -3.449 -4.101 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.074 -2.925 2.128 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.806 -2.771 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.383 -4.414 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.773 -4.126 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.651 -1.143 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.118 -0.459 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.127 -0.943 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.813 -3.909 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.420 -2.348 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.055 -2.640 3.962 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.453 -0.426 1.589 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.049 0.864 1.277 1.00 0.00 C ATOM 1522 C GLN A 97 -4.211 2.014 1.827 1.00 0.00 C ATOM 1523 O GLN A 97 -4.329 2.376 2.998 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.469 0.937 1.846 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.520 1.324 0.819 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.775 1.892 1.452 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -8.712 2.832 2.245 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.922 1.322 1.104 1.00 0.00 N ATOM 0 H GLN A 97 -4.123 -0.521 2.550 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.085 0.962 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.730 -0.031 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.487 1.660 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.099 2.059 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.782 0.448 0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.926 0.545 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.800 1.661 1.498 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.379 2.597 0.972 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.539 3.718 1.371 1.00 0.00 C ATOM 1539 C LEU A 98 -3.301 5.027 1.227 1.00 0.00 C ATOM 1540 O LEU A 98 -4.252 5.116 0.454 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.265 3.766 0.533 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.547 2.427 0.365 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.192 2.386 -0.964 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.413 2.190 1.522 1.00 0.00 C ATOM 0 H LEU A 98 -3.269 2.312 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.263 3.579 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.513 4.154 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.575 4.476 0.990 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.291 1.630 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.698 1.427 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.520 2.512 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.927 3.190 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.916 1.232 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.154 2.989 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.143 2.179 2.460 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.880 6.036 1.975 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.532 7.342 1.928 1.00 0.00 C ATOM 1558 C GLN A 99 -2.867 8.254 0.899 1.00 0.00 C ATOM 1559 O GLN A 99 -1.651 8.222 0.722 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.505 8.004 3.307 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.871 8.082 3.971 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.740 9.181 3.389 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.459 9.706 2.313 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.802 9.534 4.104 1.00 0.00 N ATOM 0 H GLN A 99 -2.093 5.979 2.621 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.568 7.186 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.827 7.448 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.099 9.011 3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.380 7.124 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.742 8.253 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.996 9.071 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.424 10.268 3.765 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.678 9.065 0.228 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.158 9.977 -0.774 1.00 0.00 C ATOM 1575 C GLY A 100 -2.840 9.280 -2.081 1.00 0.00 C ATOM 1576 O GLY A 100 -2.964 8.060 -2.188 1.00 0.00 O ATOM 0 H GLY A 100 -4.688 9.107 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.887 10.767 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.256 10.456 -0.392 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.421 10.053 -3.079 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.079 9.496 -4.381 1.00 0.00 C ATOM 1582 C ASP A 101 -0.677 8.895 -4.356 1.00 0.00 C ATOM 1583 O ASP A 101 0.298 9.544 -4.735 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.169 10.573 -5.464 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.405 11.830 -5.096 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.833 12.531 -4.155 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.378 12.113 -5.748 1.00 0.00 O ATOM 0 H ASP A 101 -2.311 11.065 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.793 8.706 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.779 10.175 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.216 10.825 -5.636 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.587 7.651 -3.899 1.00 0.00 N ATOM 1593 CA GLN A 102 0.686 6.951 -3.813 1.00 0.00 C ATOM 1594 C GLN A 102 0.914 6.071 -5.037 1.00 0.00 C ATOM 1595 O GLN A 102 1.813 5.234 -5.048 1.00 0.00 O ATOM 1596 CB GLN A 102 0.728 6.097 -2.544 1.00 0.00 C ATOM 1597 CG GLN A 102 1.407 6.772 -1.361 1.00 0.00 C ATOM 1598 CD GLN A 102 1.049 8.240 -1.228 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.227 8.555 -1.401 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.911 9.080 -0.973 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.387 7.105 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 102 1.481 7.696 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.292 5.834 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.248 5.165 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.129 6.252 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.488 6.676 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.882 8.793 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.655 10.064 -0.887 1.00 0.00 H new ATOM 1609 N ARG A 103 0.095 6.261 -6.069 1.00 0.00 N ATOM 1610 CA ARG A 103 0.215 5.477 -7.294 1.00 0.00 C ATOM 1611 C ARG A 103 1.664 5.422 -7.772 1.00 0.00 C ATOM 1612 O ARG A 103 2.079 4.460 -8.419 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.671 6.070 -8.390 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.409 7.544 -8.654 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.328 8.089 -9.735 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.138 7.405 -11.012 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.154 7.683 -11.863 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.731 8.631 -11.581 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -0.055 7.010 -13.002 1.00 0.00 N ATOM 0 H ARG A 103 -0.657 6.950 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.113 4.461 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.516 5.511 -9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.716 5.940 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.552 8.110 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.630 7.682 -8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.365 7.981 -9.417 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.143 9.155 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.799 6.671 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.659 9.152 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.483 8.839 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.733 6.281 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.699 7.222 -13.656 1.00 0.00 H new ATOM 1633 N LYS A 104 2.428 6.461 -7.450 1.00 0.00 N ATOM 1634 CA LYS A 104 3.829 6.533 -7.845 1.00 0.00 C ATOM 1635 C LYS A 104 4.751 6.150 -6.688 1.00 0.00 C ATOM 1636 O LYS A 104 5.905 5.779 -6.903 1.00 0.00 O ATOM 1637 CB LYS A 104 4.166 7.943 -8.334 1.00 0.00 C ATOM 1638 CG LYS A 104 5.559 8.065 -8.932 1.00 0.00 C ATOM 1639 CD LYS A 104 6.490 8.855 -8.026 1.00 0.00 C ATOM 1640 CE LYS A 104 5.976 10.266 -7.794 1.00 0.00 C ATOM 1641 NZ LYS A 104 7.087 11.240 -7.609 1.00 0.00 N ATOM 0 H LYS A 104 2.099 7.265 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 104 3.987 5.822 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.432 8.244 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.076 8.639 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.972 7.070 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.497 8.553 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.591 8.342 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.484 8.897 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.362 10.572 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.333 10.278 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.693 12.190 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.658 10.963 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.686 11.248 -8.459 1.00 0.00 H new ATOM 1655 N ASN A 105 4.240 6.245 -5.463 1.00 0.00 N ATOM 1656 CA ASN A 105 5.030 5.909 -4.281 1.00 0.00 C ATOM 1657 C ASN A 105 4.894 4.430 -3.930 1.00 0.00 C ATOM 1658 O ASN A 105 5.858 3.797 -3.500 1.00 0.00 O ATOM 1659 CB ASN A 105 4.596 6.769 -3.092 1.00 0.00 C ATOM 1660 CG ASN A 105 5.354 8.080 -3.019 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.570 8.098 -2.830 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.636 9.187 -3.170 1.00 0.00 N ATOM 0 H ASN A 105 3.287 6.550 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 105 6.077 6.112 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.528 6.974 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.750 6.211 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.091 10.099 -3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.630 9.125 -3.325 1.00 0.00 H new ATOM 1669 N ILE A 106 3.695 3.884 -4.109 1.00 0.00 N ATOM 1670 CA ILE A 106 3.450 2.481 -3.803 1.00 0.00 C ATOM 1671 C ILE A 106 4.278 1.572 -4.704 1.00 0.00 C ATOM 1672 O ILE A 106 5.013 0.713 -4.217 1.00 0.00 O ATOM 1673 CB ILE A 106 1.953 2.120 -3.915 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.701 0.707 -3.384 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.471 2.244 -5.353 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.319 0.439 -2.026 1.00 0.00 C ATOM 0 H ILE A 106 2.883 4.390 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 106 3.756 2.324 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 106 1.387 2.825 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.626 0.540 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.095 -0.015 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.414 1.985 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.611 3.269 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.043 1.567 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.095 -0.583 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.399 0.572 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.907 1.135 -1.295 1.00 0.00 H new ATOM 1688 N CYS A 107 4.194 1.784 -6.016 1.00 0.00 N ATOM 1689 CA CYS A 107 4.980 0.993 -6.956 1.00 0.00 C ATOM 1690 C CYS A 107 6.455 1.149 -6.610 1.00 0.00 C ATOM 1691 O CYS A 107 7.255 0.225 -6.763 1.00 0.00 O ATOM 1692 CB CYS A 107 4.722 1.448 -8.393 1.00 0.00 C ATOM 1693 SG CYS A 107 4.927 3.227 -8.651 1.00 0.00 S ATOM 0 H CYS A 107 3.596 2.489 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 107 4.690 -0.055 -6.880 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.400 0.914 -9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.708 1.165 -8.676 1.00 0.00 H new ATOM 0 HG CYS A 107 3.776 3.819 -8.528 1.00 0.00 H new ATOM 1699 N GLN A 108 6.787 2.336 -6.110 1.00 0.00 N ATOM 1700 CA GLN A 108 8.142 2.656 -5.695 1.00 0.00 C ATOM 1701 C GLN A 108 8.484 1.875 -4.428 1.00 0.00 C ATOM 1702 O GLN A 108 9.607 1.407 -4.256 1.00 0.00 O ATOM 1703 CB GLN A 108 8.256 4.171 -5.464 1.00 0.00 C ATOM 1704 CG GLN A 108 9.407 4.601 -4.564 1.00 0.00 C ATOM 1705 CD GLN A 108 10.688 4.853 -5.336 1.00 0.00 C ATOM 1706 OE1 GLN A 108 10.843 5.887 -5.983 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.613 3.903 -5.271 1.00 0.00 N ATOM 0 H GLN A 108 6.123 3.099 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 108 8.852 2.372 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.367 4.663 -6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.322 4.528 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.125 5.508 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.585 3.830 -3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.441 3.061 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.495 4.015 -5.770 1.00 0.00 H new ATOM 1716 N PHE A 109 7.489 1.728 -3.556 1.00 0.00 N ATOM 1717 CA PHE A 109 7.658 0.990 -2.310 1.00 0.00 C ATOM 1718 C PHE A 109 7.830 -0.496 -2.597 1.00 0.00 C ATOM 1719 O PHE A 109 8.735 -1.141 -2.070 1.00 0.00 O ATOM 1720 CB PHE A 109 6.442 1.206 -1.406 1.00 0.00 C ATOM 1721 CG PHE A 109 6.540 0.510 -0.079 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.460 0.925 0.870 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.708 -0.557 0.221 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.548 0.289 2.093 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.791 -1.197 1.443 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.712 -0.773 2.379 1.00 0.00 C ATOM 0 H PHE A 109 6.554 2.113 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 109 8.551 1.357 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.313 2.275 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.549 0.856 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.116 1.755 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.986 -0.892 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.269 0.622 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.137 -2.027 1.665 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.779 -1.271 3.335 1.00 0.00 H new ATOM 1736 N LEU A 110 6.954 -1.027 -3.447 1.00 0.00 N ATOM 1737 CA LEU A 110 6.998 -2.438 -3.820 1.00 0.00 C ATOM 1738 C LEU A 110 8.389 -2.828 -4.310 1.00 0.00 C ATOM 1739 O LEU A 110 8.842 -3.951 -4.095 1.00 0.00 O ATOM 1740 CB LEU A 110 5.962 -2.726 -4.910 1.00 0.00 C ATOM 1741 CG LEU A 110 4.566 -3.104 -4.403 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.134 -2.182 -3.272 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.559 -3.057 -5.542 1.00 0.00 C ATOM 0 H LEU A 110 6.203 -0.499 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 110 6.765 -3.032 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.873 -1.845 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.334 -3.536 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 110 4.606 -4.122 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.140 -2.469 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.841 -2.263 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.111 -1.153 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.572 -3.328 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.526 -2.050 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.857 -3.760 -6.320 1.00 0.00 H new ATOM 1755 N VAL A 111 9.068 -1.887 -4.954 1.00 0.00 N ATOM 1756 CA VAL A 111 10.414 -2.131 -5.457 1.00 0.00 C ATOM 1757 C VAL A 111 11.439 -1.695 -4.419 1.00 0.00 C ATOM 1758 O VAL A 111 12.474 -2.335 -4.233 1.00 0.00 O ATOM 1759 CB VAL A 111 10.669 -1.374 -6.780 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.149 -1.377 -7.138 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.843 -1.979 -7.904 1.00 0.00 C ATOM 0 H VAL A 111 8.710 -0.950 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 111 10.511 -3.199 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 111 10.362 -0.337 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.298 -0.837 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.716 -0.891 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.493 -2.405 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.034 -1.435 -8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.118 -3.025 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.784 -1.911 -7.655 1.00 0.00 H new ATOM 1771 N GLU A 112 11.127 -0.600 -3.746 1.00 0.00 N ATOM 1772 CA GLU A 112 11.989 -0.048 -2.715 1.00 0.00 C ATOM 1773 C GLU A 112 12.176 -1.041 -1.567 1.00 0.00 C ATOM 1774 O GLU A 112 13.187 -1.009 -0.867 1.00 0.00 O ATOM 1775 CB GLU A 112 11.386 1.262 -2.208 1.00 0.00 C ATOM 1776 CG GLU A 112 11.982 1.751 -0.907 1.00 0.00 C ATOM 1777 CD GLU A 112 12.374 3.215 -0.952 1.00 0.00 C ATOM 1778 OE1 GLU A 112 11.894 3.932 -1.854 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.162 3.645 -0.083 1.00 0.00 O ATOM 0 H GLU A 112 10.270 -0.069 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 112 12.974 0.148 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.521 2.031 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.312 1.129 -2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.262 1.597 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.861 1.152 -0.668 1.00 0.00 H new ATOM 1786 N ILE A 113 11.198 -1.922 -1.378 1.00 0.00 N ATOM 1787 CA ILE A 113 11.265 -2.917 -0.312 1.00 0.00 C ATOM 1788 C ILE A 113 11.467 -4.323 -0.870 1.00 0.00 C ATOM 1789 O ILE A 113 12.025 -5.193 -0.201 1.00 0.00 O ATOM 1790 CB ILE A 113 9.990 -2.890 0.562 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.820 -3.572 -0.161 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.634 -1.457 0.928 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.509 -3.491 0.590 1.00 0.00 C ATOM 0 H ILE A 113 10.352 -1.968 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 113 12.125 -2.658 0.306 1.00 0.00 H new ATOM 0 HB ILE A 113 10.188 -3.444 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.695 -3.114 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.069 -4.620 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.734 -1.451 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.457 -1.008 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.455 -0.883 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.730 -3.994 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.615 -3.975 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.236 -2.446 0.733 1.00 0.00 H new ATOM 1805 N GLY A 114 11.000 -4.541 -2.095 1.00 0.00 N ATOM 1806 CA GLY A 114 11.128 -5.846 -2.716 1.00 0.00 C ATOM 1807 C GLY A 114 9.833 -6.634 -2.654 1.00 0.00 C ATOM 1808 O GLY A 114 9.840 -7.864 -2.727 1.00 0.00 O ATOM 0 H GLY A 114 10.535 -3.837 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.429 -5.724 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.919 -6.408 -2.219 1.00 0.00 H new ATOM 1812 N LEU A 115 8.720 -5.920 -2.518 1.00 0.00 N ATOM 1813 CA LEU A 115 7.406 -6.547 -2.444 1.00 0.00 C ATOM 1814 C LEU A 115 6.974 -7.059 -3.814 1.00 0.00 C ATOM 1815 O LEU A 115 6.966 -8.264 -4.063 1.00 0.00 O ATOM 1816 CB LEU A 115 6.380 -5.546 -1.904 1.00 0.00 C ATOM 1817 CG LEU A 115 5.459 -6.078 -0.804 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.258 -6.805 0.268 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.657 -4.941 -0.189 1.00 0.00 C ATOM 0 H LEU A 115 8.703 -4.902 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 115 7.465 -7.398 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.914 -4.677 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.764 -5.200 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 115 4.767 -6.790 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.581 -7.174 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.789 -7.644 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.977 -6.118 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.007 -5.335 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.338 -4.207 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.051 -4.465 -0.960 1.00 0.00 H new ATOM 1831 N ALA A 116 6.626 -6.134 -4.703 1.00 0.00 N ATOM 1832 CA ALA A 116 6.205 -6.494 -6.050 1.00 0.00 C ATOM 1833 C ALA A 116 7.383 -6.420 -7.014 1.00 0.00 C ATOM 1834 O ALA A 116 8.427 -5.854 -6.687 1.00 0.00 O ATOM 1835 CB ALA A 116 5.082 -5.580 -6.517 1.00 0.00 C ATOM 0 H ALA A 116 6.628 -5.132 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 116 5.835 -7.519 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.779 -5.862 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.231 -5.675 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.430 -4.547 -6.519 1.00 0.00 H new ATOM 1841 N LYS A 117 7.215 -6.986 -8.203 1.00 0.00 N ATOM 1842 CA LYS A 117 8.273 -6.969 -9.205 1.00 0.00 C ATOM 1843 C LYS A 117 8.003 -5.890 -10.246 1.00 0.00 C ATOM 1844 O LYS A 117 6.852 -5.531 -10.496 1.00 0.00 O ATOM 1845 CB LYS A 117 8.392 -8.336 -9.881 1.00 0.00 C ATOM 1846 CG LYS A 117 9.756 -8.981 -9.705 1.00 0.00 C ATOM 1847 CD LYS A 117 10.130 -9.111 -8.237 1.00 0.00 C ATOM 1848 CE LYS A 117 11.472 -8.459 -7.943 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.149 -9.084 -6.772 1.00 0.00 N ATOM 0 H LYS A 117 6.361 -7.460 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 117 9.215 -6.744 -8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.629 -9.001 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.185 -8.226 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.755 -9.967 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.509 -8.386 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.358 -8.649 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.169 -10.165 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.115 -8.540 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.325 -7.396 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.060 -8.611 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.547 -8.985 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.313 -10.093 -6.963 1.00 0.00 H new ATOM 1863 N ASP A 118 9.067 -5.373 -10.851 1.00 0.00 N ATOM 1864 CA ASP A 118 8.929 -4.334 -11.864 1.00 0.00 C ATOM 1865 C ASP A 118 8.037 -4.808 -13.007 1.00 0.00 C ATOM 1866 O ASP A 118 7.384 -4.004 -13.673 1.00 0.00 O ATOM 1867 CB ASP A 118 10.300 -3.917 -12.400 1.00 0.00 C ATOM 1868 CG ASP A 118 10.995 -5.033 -13.154 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.635 -5.882 -12.499 1.00 0.00 O ATOM 1870 OD2 ASP A 118 10.899 -5.060 -14.398 1.00 0.00 O ATOM 0 H ASP A 118 10.028 -5.654 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 118 8.461 -3.468 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.182 -3.057 -13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.929 -3.598 -11.569 1.00 0.00 H new ATOM 1875 N ASP A 119 8.004 -6.119 -13.218 1.00 0.00 N ATOM 1876 CA ASP A 119 7.181 -6.703 -14.269 1.00 0.00 C ATOM 1877 C ASP A 119 5.729 -6.799 -13.814 1.00 0.00 C ATOM 1878 O ASP A 119 4.808 -6.793 -14.630 1.00 0.00 O ATOM 1879 CB ASP A 119 7.705 -8.089 -14.649 1.00 0.00 C ATOM 1880 CG ASP A 119 8.899 -8.019 -15.583 1.00 0.00 C ATOM 1881 OD1 ASP A 119 8.689 -7.877 -16.805 1.00 0.00 O ATOM 1882 OD2 ASP A 119 10.043 -8.107 -15.091 1.00 0.00 O ATOM 0 H ASP A 119 8.538 -6.797 -12.675 1.00 0.00 H new ATOM 0 HA ASP A 119 7.232 -6.057 -15.146 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.986 -8.629 -13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.907 -8.658 -15.126 1.00 0.00 H new ATOM 1887 N GLN A 120 5.534 -6.883 -12.500 1.00 0.00 N ATOM 1888 CA GLN A 120 4.197 -6.973 -11.927 1.00 0.00 C ATOM 1889 C GLN A 120 3.586 -5.587 -11.734 1.00 0.00 C ATOM 1890 O GLN A 120 2.381 -5.451 -11.523 1.00 0.00 O ATOM 1891 CB GLN A 120 4.242 -7.697 -10.583 1.00 0.00 C ATOM 1892 CG GLN A 120 5.063 -8.975 -10.600 1.00 0.00 C ATOM 1893 CD GLN A 120 4.888 -9.804 -9.338 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.614 -9.140 -8.216 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.996 -11.029 -9.370 1.00 0.00 N flip ATOM 0 H GLN A 120 6.288 -6.890 -11.813 1.00 0.00 H new ATOM 0 HA GLN A 120 3.576 -7.536 -12.624 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.653 -7.023 -9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.224 -7.935 -10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.777 -9.574 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 120 6.117 -8.723 -10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.207 -11.500 -10.250 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.875 -11.574 -8.516 1.00 0.00 H new ATOM 1904 N LEU A 121 4.431 -4.564 -11.795 1.00 0.00 N ATOM 1905 CA LEU A 121 3.994 -3.182 -11.616 1.00 0.00 C ATOM 1906 C LEU A 121 2.790 -2.855 -12.493 1.00 0.00 C ATOM 1907 O LEU A 121 2.906 -2.762 -13.714 1.00 0.00 O ATOM 1908 CB LEU A 121 5.140 -2.220 -11.939 1.00 0.00 C ATOM 1909 CG LEU A 121 6.218 -2.105 -10.860 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.389 -1.274 -11.362 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.636 -1.500 -9.590 1.00 0.00 C ATOM 0 H LEU A 121 5.431 -4.666 -11.968 1.00 0.00 H new ATOM 0 HA LEU A 121 3.698 -3.063 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.611 -2.541 -12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.722 -1.230 -12.119 1.00 0.00 H new ATOM 0 HG LEU A 121 6.583 -3.105 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.146 -1.203 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.820 -1.748 -12.243 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.041 -0.274 -11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.416 -1.425 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.244 -0.506 -9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.831 -2.135 -9.220 1.00 0.00 H new ATOM 1923 N LYS A 122 1.636 -2.670 -11.859 1.00 0.00 N ATOM 1924 CA LYS A 122 0.417 -2.338 -12.584 1.00 0.00 C ATOM 1925 C LYS A 122 -0.307 -1.175 -11.918 1.00 0.00 C ATOM 1926 O LYS A 122 -1.260 -1.373 -11.164 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.500 -3.546 -12.670 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.018 -4.569 -13.675 1.00 0.00 C ATOM 1929 CD LYS A 122 0.002 -4.023 -15.096 1.00 0.00 C ATOM 1930 CE LYS A 122 -1.394 -3.807 -15.665 1.00 0.00 C ATOM 1931 NZ LYS A 122 -2.427 -4.681 -15.037 1.00 0.00 N ATOM 0 H LYS A 122 1.521 -2.744 -10.848 1.00 0.00 H new ATOM 0 HA LYS A 122 0.696 -2.039 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.573 -4.013 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.503 -3.218 -12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.984 -4.899 -13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.664 -5.446 -13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.545 -3.078 -15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.548 -4.714 -15.738 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.678 -2.764 -15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.374 -3.993 -16.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.366 -4.428 -15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.223 -5.676 -15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.413 -4.549 -14.005 1.00 0.00 H new ATOM 1945 N VAL A 123 0.158 0.040 -12.189 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.437 1.236 -11.605 1.00 0.00 C ATOM 1947 C VAL A 123 -1.599 1.757 -12.447 1.00 0.00 C ATOM 1948 O VAL A 123 -1.430 2.076 -13.624 1.00 0.00 O ATOM 1949 CB VAL A 123 0.609 2.357 -11.442 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.186 2.756 -12.793 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.001 3.561 -10.738 1.00 0.00 C ATOM 0 H VAL A 123 0.946 0.222 -12.810 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.814 0.948 -10.624 1.00 0.00 H new ATOM 0 HB VAL A 123 1.423 1.977 -10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.922 3.548 -12.655 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.665 1.892 -13.253 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.385 3.114 -13.439 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.756 4.340 -10.633 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.835 3.942 -11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.354 3.264 -9.751 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.778 1.845 -11.836 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.964 2.335 -12.531 1.00 0.00 C ATOM 1963 C HIS A 124 -4.576 3.526 -11.801 1.00 0.00 C ATOM 1964 O HIS A 124 -5.611 3.401 -11.147 1.00 0.00 O ATOM 1965 CB HIS A 124 -5.002 1.223 -12.665 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.462 -0.027 -13.283 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.659 -0.359 -14.605 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.727 -1.030 -12.751 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.071 -1.514 -14.858 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.497 -1.943 -13.750 1.00 0.00 N ATOM 0 H HIS A 124 -2.937 1.584 -10.863 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.656 2.659 -13.525 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.400 0.988 -11.678 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.835 1.586 -13.267 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.178 0.200 -15.283 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.384 -1.100 -11.729 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.062 -2.022 -15.811 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.934 4.683 -11.922 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.438 5.877 -11.271 1.00 0.00 C ATOM 1981 C GLY A 125 -5.843 6.225 -11.719 1.00 0.00 C ATOM 1982 O GLY A 125 -6.087 6.444 -12.906 1.00 0.00 O ATOM 0 H GLY A 125 -3.076 4.815 -12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.429 5.731 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.773 6.714 -11.485 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.773 6.269 -10.768 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.168 6.587 -11.067 1.00 0.00 C ATOM 1988 C PHE A 126 -8.277 7.797 -11.994 1.00 0.00 C ATOM 1989 O PHE A 126 -9.208 7.823 -12.827 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.941 6.843 -9.769 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.680 8.194 -9.162 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.385 8.635 -8.949 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.733 9.023 -8.810 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.144 9.878 -8.396 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.499 10.266 -8.255 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.202 10.694 -8.048 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.430 8.709 -11.878 1.00 0.00 O ATOM 0 H PHE A 126 -6.586 6.088 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.605 5.731 -11.581 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.008 6.745 -9.968 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.679 6.073 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.554 8.000 -9.218 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.749 8.693 -8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.129 10.211 -8.236 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.328 10.902 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.016 11.666 -7.615 1.00 0.00 H new