USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 CYS SG : rot 37:sc= -1.3 USER MOD Set 1.2: A 102 GLN : amide:sc= -9.62! C(o=-14!,f=-14!) USER MOD Set 1.3: A 105 ASN : amide:sc= -3.25 X(o=-14,f=-14!) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.817 K(o=1.2,f=-1.2) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.396 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.936 K(o=-2.6,f=-7.1!) USER MOD Set 3.2: A 59 THR OG1 : rot -98:sc= 1.2 USER MOD Set 3.3: A 97 GLN : amide:sc= -2.89! C(o=-2.6!,f=-3.6!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.53! C(o=-15!,f=-17!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -8.64! C(o=-15!,f=-18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -11:sc= -0.317 USER MOD Single : A 61 GLN : amide:sc= -2.17 X(o=-2.2,f=-1.7) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -142:sc= 0.133 (180deg=-0.298) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.018 (180deg=-0.287) USER MOD Single : A 83 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.099) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00206 USER MOD Single : A 89 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-5.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.708 K(o=-0.71,f=-6.9!) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= -0.0213 (180deg=-0.147) USER MOD Single : A 107 CYS SG : rot 110:sc= -5.67! USER MOD Single : A 108 GLN : amide:sc= -0.542 K(o=-0.54,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -141:sc= 0.0198 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -5.47! C(o=-5.5!,f=-4.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.539 -12.522 -13.139 1.00 0.00 N ATOM 607 CA ASP A 42 0.021 -12.119 -11.833 1.00 0.00 C ATOM 608 C ASP A 42 0.577 -10.760 -11.415 1.00 0.00 C ATOM 609 O ASP A 42 1.247 -10.638 -10.390 1.00 0.00 O ATOM 610 CB ASP A 42 0.367 -13.174 -10.779 1.00 0.00 C ATOM 611 CG ASP A 42 -0.767 -13.405 -9.799 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.762 -14.056 -10.184 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.660 -12.937 -8.646 1.00 0.00 O ATOM 0 HA ASP A 42 -1.063 -12.033 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.612 -14.113 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.257 -12.860 -10.233 1.00 0.00 H new ATOM 618 N TYR A 43 0.291 -9.742 -12.215 1.00 0.00 N ATOM 619 CA TYR A 43 0.760 -8.392 -11.929 1.00 0.00 C ATOM 620 C TYR A 43 0.131 -7.857 -10.646 1.00 0.00 C ATOM 621 O TYR A 43 -0.821 -8.433 -10.121 1.00 0.00 O ATOM 622 CB TYR A 43 0.436 -7.454 -13.093 1.00 0.00 C ATOM 623 CG TYR A 43 1.016 -7.889 -14.424 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.170 -8.663 -14.492 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.407 -7.520 -15.616 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.697 -9.053 -15.707 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.927 -7.907 -16.835 1.00 0.00 C ATOM 628 CZ TYR A 43 2.072 -8.673 -16.876 1.00 0.00 C ATOM 629 OH TYR A 43 2.595 -9.060 -18.089 1.00 0.00 O ATOM 0 H TYR A 43 -0.263 -9.825 -13.067 1.00 0.00 H new ATOM 0 HA TYR A 43 1.841 -8.435 -11.796 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.647 -7.375 -13.190 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.808 -6.457 -12.856 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.662 -8.964 -13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.490 -6.919 -15.589 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.594 -9.653 -15.742 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.439 -7.611 -17.752 1.00 0.00 H new ATOM 0 HH TYR A 43 2.035 -8.711 -18.813 1.00 0.00 H new ATOM 639 N ILE A 44 0.665 -6.744 -10.155 1.00 0.00 N ATOM 640 CA ILE A 44 0.156 -6.117 -8.942 1.00 0.00 C ATOM 641 C ILE A 44 -0.528 -4.794 -9.285 1.00 0.00 C ATOM 642 O ILE A 44 0.130 -3.781 -9.523 1.00 0.00 O ATOM 643 CB ILE A 44 1.288 -5.898 -7.906 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.614 -7.209 -7.175 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.899 -4.831 -6.895 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.439 -8.456 -8.018 1.00 0.00 C ATOM 0 H ILE A 44 1.453 -6.256 -10.581 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.577 -6.786 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 44 2.173 -5.563 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.644 -7.167 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.976 -7.288 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.709 -4.696 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.711 -3.890 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.003 -5.141 -6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.690 -9.335 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.404 -8.527 -8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.097 -8.404 -8.885 1.00 0.00 H new ATOM 658 N HIS A 45 -1.856 -4.830 -9.332 1.00 0.00 N ATOM 659 CA HIS A 45 -2.654 -3.657 -9.671 1.00 0.00 C ATOM 660 C HIS A 45 -2.767 -2.681 -8.503 1.00 0.00 C ATOM 661 O HIS A 45 -3.288 -3.022 -7.442 1.00 0.00 O ATOM 662 CB HIS A 45 -4.052 -4.099 -10.108 1.00 0.00 C ATOM 663 CG HIS A 45 -4.428 -3.653 -11.486 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.112 -4.368 -12.622 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.110 -2.562 -11.907 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.583 -3.735 -13.683 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.192 -2.638 -13.275 1.00 0.00 N ATOM 0 H HIS A 45 -2.406 -5.667 -9.138 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.150 -3.138 -10.486 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.109 -5.186 -10.061 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.783 -3.710 -9.399 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.596 -5.247 -12.641 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.514 -1.778 -11.283 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.486 -4.060 -14.708 1.00 0.00 H new ATOM 676 N ILE A 46 -2.292 -1.459 -8.720 1.00 0.00 N ATOM 677 CA ILE A 46 -2.361 -0.418 -7.697 1.00 0.00 C ATOM 678 C ILE A 46 -3.783 0.162 -7.625 1.00 0.00 C ATOM 679 O ILE A 46 -4.658 -0.432 -6.993 1.00 0.00 O ATOM 680 CB ILE A 46 -1.334 0.705 -7.963 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.070 0.117 -8.126 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.359 1.727 -6.836 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.601 -0.542 -6.871 1.00 0.00 C ATOM 0 H ILE A 46 -1.855 -1.164 -9.593 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.114 -0.873 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.605 1.210 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.056 -0.616 -8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.754 0.910 -8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.630 2.511 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.354 2.167 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.111 1.237 -5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.600 -0.936 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.647 0.192 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.061 -1.358 -6.580 1.00 0.00 H new ATOM 695 N ARG A 47 -4.021 1.302 -8.291 1.00 0.00 N ATOM 696 CA ARG A 47 -5.346 1.931 -8.320 1.00 0.00 C ATOM 697 C ARG A 47 -5.603 2.800 -7.093 1.00 0.00 C ATOM 698 O ARG A 47 -5.490 2.346 -5.955 1.00 0.00 O ATOM 699 CB ARG A 47 -6.450 0.876 -8.449 1.00 0.00 C ATOM 700 CG ARG A 47 -7.754 1.426 -9.006 1.00 0.00 C ATOM 701 CD ARG A 47 -8.011 0.943 -10.425 1.00 0.00 C ATOM 702 NE ARG A 47 -9.270 0.209 -10.533 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.910 -0.001 -11.682 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.414 0.464 -12.821 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.050 -0.678 -11.690 1.00 0.00 N ATOM 0 H ARG A 47 -3.309 1.807 -8.818 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.363 2.579 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.099 0.072 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.639 0.438 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.580 1.122 -8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.724 2.516 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.030 1.798 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.189 0.302 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.683 -0.164 -9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.538 0.986 -12.820 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.909 0.300 -13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.436 -1.037 -10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.541 -0.839 -12.569 1.00 0.00 H new ATOM 719 N ILE A 48 -5.974 4.051 -7.351 1.00 0.00 N ATOM 720 CA ILE A 48 -6.282 5.006 -6.289 1.00 0.00 C ATOM 721 C ILE A 48 -7.796 5.194 -6.176 1.00 0.00 C ATOM 722 O ILE A 48 -8.535 4.923 -7.123 1.00 0.00 O ATOM 723 CB ILE A 48 -5.612 6.378 -6.553 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.109 6.309 -6.282 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.243 7.476 -5.703 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.393 7.612 -6.562 1.00 0.00 C ATOM 0 H ILE A 48 -6.069 4.430 -8.293 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.889 4.604 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.771 6.623 -7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.946 6.029 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.671 5.522 -6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.751 8.426 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.303 7.557 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.126 7.231 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.330 7.496 -6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.526 7.883 -7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.806 8.397 -5.929 1.00 0.00 H new ATOM 738 N GLN A 49 -8.251 5.664 -5.020 1.00 0.00 N ATOM 739 CA GLN A 49 -9.674 5.896 -4.800 1.00 0.00 C ATOM 740 C GLN A 49 -9.900 7.234 -4.104 1.00 0.00 C ATOM 741 O GLN A 49 -9.962 7.306 -2.876 1.00 0.00 O ATOM 742 CB GLN A 49 -10.283 4.759 -3.977 1.00 0.00 C ATOM 743 CG GLN A 49 -9.698 4.632 -2.580 1.00 0.00 C ATOM 744 CD GLN A 49 -9.437 3.190 -2.187 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.487 2.568 -2.660 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.283 2.652 -1.318 1.00 0.00 N ATOM 0 H GLN A 49 -7.657 5.891 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.168 5.925 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.359 4.916 -3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.137 3.819 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.765 5.194 -2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.382 5.083 -1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.058 3.205 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.159 1.685 -1.017 1.00 0.00 H new ATOM 755 N GLN A 50 -10.012 8.294 -4.897 1.00 0.00 N ATOM 756 CA GLN A 50 -10.222 9.632 -4.359 1.00 0.00 C ATOM 757 C GLN A 50 -11.706 9.972 -4.282 1.00 0.00 C ATOM 758 O GLN A 50 -12.348 10.228 -5.301 1.00 0.00 O ATOM 759 CB GLN A 50 -9.492 10.670 -5.215 1.00 0.00 C ATOM 760 CG GLN A 50 -8.810 11.754 -4.399 1.00 0.00 C ATOM 761 CD GLN A 50 -8.077 12.767 -5.258 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.574 13.188 -6.303 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.891 13.166 -4.816 1.00 0.00 N ATOM 0 H GLN A 50 -9.961 8.252 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.816 9.652 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.746 10.164 -5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.205 11.133 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.556 12.270 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.104 11.292 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.519 12.790 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.352 13.849 -5.348 1.00 0.00 H new ATOM 772 N ARG A 51 -12.243 9.983 -3.065 1.00 0.00 N ATOM 773 CA ARG A 51 -13.650 10.305 -2.855 1.00 0.00 C ATOM 774 C ARG A 51 -13.853 11.816 -2.894 1.00 0.00 C ATOM 775 O ARG A 51 -13.220 12.555 -2.141 1.00 0.00 O ATOM 776 CB ARG A 51 -14.143 9.746 -1.518 1.00 0.00 C ATOM 777 CG ARG A 51 -13.514 8.414 -1.136 1.00 0.00 C ATOM 778 CD ARG A 51 -13.700 7.373 -2.229 1.00 0.00 C ATOM 779 NE ARG A 51 -14.257 6.127 -1.707 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.542 5.957 -1.407 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.407 6.949 -1.577 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.963 4.792 -0.934 1.00 0.00 N ATOM 0 H ARG A 51 -11.726 9.773 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.229 9.845 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.935 10.473 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.225 9.626 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.450 8.555 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.960 8.053 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.360 7.770 -3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.740 7.170 -2.704 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.623 5.341 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.088 7.847 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.391 6.813 -1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.302 4.027 -0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.948 4.661 -0.704 1.00 0.00 H new ATOM 796 N ASN A 52 -14.730 12.269 -3.782 1.00 0.00 N ATOM 797 CA ASN A 52 -15.001 13.695 -3.922 1.00 0.00 C ATOM 798 C ASN A 52 -13.755 14.437 -4.397 1.00 0.00 C ATOM 799 O ASN A 52 -13.630 15.647 -4.207 1.00 0.00 O ATOM 800 CB ASN A 52 -15.485 14.283 -2.595 1.00 0.00 C ATOM 801 CG ASN A 52 -16.495 15.397 -2.789 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.183 15.456 -3.807 1.00 0.00 O ATOM 803 ND2 ASN A 52 -16.586 16.290 -1.810 1.00 0.00 N ATOM 0 H ASN A 52 -15.264 11.672 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.786 13.818 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.932 13.492 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.630 14.665 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.246 17.064 -1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.995 16.202 -0.983 1.00 0.00 H new ATOM 810 N GLY A 53 -12.837 13.702 -5.019 1.00 0.00 N ATOM 811 CA GLY A 53 -11.613 14.302 -5.516 1.00 0.00 C ATOM 812 C GLY A 53 -10.708 14.803 -4.406 1.00 0.00 C ATOM 813 O GLY A 53 -9.975 15.773 -4.590 1.00 0.00 O ATOM 0 H GLY A 53 -12.920 12.699 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.073 13.569 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.863 15.132 -6.176 1.00 0.00 H new ATOM 817 N ARG A 54 -10.754 14.142 -3.252 1.00 0.00 N ATOM 818 CA ARG A 54 -9.923 14.538 -2.119 1.00 0.00 C ATOM 819 C ARG A 54 -9.453 13.325 -1.319 1.00 0.00 C ATOM 820 O ARG A 54 -8.252 13.112 -1.153 1.00 0.00 O ATOM 821 CB ARG A 54 -10.689 15.494 -1.203 1.00 0.00 C ATOM 822 CG ARG A 54 -11.341 16.655 -1.938 1.00 0.00 C ATOM 823 CD ARG A 54 -10.306 17.653 -2.431 1.00 0.00 C ATOM 824 NE ARG A 54 -9.784 18.484 -1.348 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.494 19.419 -0.720 1.00 0.00 C ATOM 826 NH1 ARG A 54 -11.757 19.643 -1.061 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.939 20.130 0.252 1.00 0.00 N ATOM 0 H ARG A 54 -11.353 13.335 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.045 15.046 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.458 14.935 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.005 15.889 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.914 16.276 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.046 17.157 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.484 17.117 -2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.753 18.291 -3.194 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.818 18.339 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.188 19.098 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.296 20.360 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.969 19.960 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.482 20.847 0.734 1.00 0.00 H new ATOM 841 N LYS A 55 -10.403 12.541 -0.818 1.00 0.00 N ATOM 842 CA LYS A 55 -10.080 11.356 -0.029 1.00 0.00 C ATOM 843 C LYS A 55 -9.368 10.308 -0.881 1.00 0.00 C ATOM 844 O LYS A 55 -9.936 9.267 -1.209 1.00 0.00 O ATOM 845 CB LYS A 55 -11.350 10.759 0.578 1.00 0.00 C ATOM 846 CG LYS A 55 -12.024 11.668 1.592 1.00 0.00 C ATOM 847 CD LYS A 55 -11.173 11.837 2.839 1.00 0.00 C ATOM 848 CE LYS A 55 -10.980 10.515 3.565 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.469 10.712 4.950 1.00 0.00 N ATOM 0 H LYS A 55 -11.402 12.704 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.409 11.660 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.055 10.536 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.103 9.812 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.209 12.643 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.994 11.254 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.201 12.248 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.646 12.556 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.928 9.979 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.282 9.892 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.351 9.787 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.552 11.201 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.147 11.285 5.492 1.00 0.00 H new ATOM 863 N THR A 56 -8.119 10.595 -1.233 1.00 0.00 N ATOM 864 CA THR A 56 -7.322 9.688 -2.047 1.00 0.00 C ATOM 865 C THR A 56 -6.824 8.509 -1.220 1.00 0.00 C ATOM 866 O THR A 56 -6.264 8.689 -0.139 1.00 0.00 O ATOM 867 CB THR A 56 -6.134 10.439 -2.652 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.297 11.839 -2.509 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.929 10.151 -4.123 1.00 0.00 C ATOM 0 H THR A 56 -7.636 11.453 -0.965 1.00 0.00 H new ATOM 0 HA THR A 56 -7.953 9.302 -2.848 1.00 0.00 H new ATOM 0 HB THR A 56 -5.262 10.085 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.417 12.265 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.071 10.715 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.749 9.085 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.820 10.445 -4.679 1.00 0.00 H new ATOM 877 N LEU A 57 -7.027 7.303 -1.737 1.00 0.00 N ATOM 878 CA LEU A 57 -6.591 6.098 -1.044 1.00 0.00 C ATOM 879 C LEU A 57 -6.003 5.086 -2.025 1.00 0.00 C ATOM 880 O LEU A 57 -6.733 4.320 -2.653 1.00 0.00 O ATOM 881 CB LEU A 57 -7.755 5.472 -0.275 1.00 0.00 C ATOM 882 CG LEU A 57 -7.633 5.545 1.248 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.926 6.955 1.739 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.566 4.539 1.907 1.00 0.00 C ATOM 0 H LEU A 57 -7.489 7.134 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.813 6.380 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.678 5.967 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.845 4.426 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.610 5.293 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.835 6.989 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.215 7.651 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.939 7.237 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.466 4.605 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.596 4.758 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.306 3.533 1.579 1.00 0.00 H new ATOM 896 N THR A 58 -4.682 5.091 -2.152 1.00 0.00 N ATOM 897 CA THR A 58 -3.997 4.176 -3.058 1.00 0.00 C ATOM 898 C THR A 58 -4.035 2.748 -2.525 1.00 0.00 C ATOM 899 O THR A 58 -3.490 2.461 -1.458 1.00 0.00 O ATOM 900 CB THR A 58 -2.546 4.615 -3.255 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.420 6.019 -3.101 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.989 4.250 -4.613 1.00 0.00 C ATOM 0 H THR A 58 -4.063 5.719 -1.639 1.00 0.00 H new ATOM 0 HA THR A 58 -4.515 4.201 -4.017 1.00 0.00 H new ATOM 0 HB THR A 58 -1.978 4.082 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.311 6.426 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.956 4.590 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.025 3.168 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.584 4.728 -5.391 1.00 0.00 H new ATOM 910 N THR A 59 -4.672 1.852 -3.272 1.00 0.00 N ATOM 911 CA THR A 59 -4.765 0.456 -2.863 1.00 0.00 C ATOM 912 C THR A 59 -3.788 -0.405 -3.650 1.00 0.00 C ATOM 913 O THR A 59 -3.504 -0.135 -4.817 1.00 0.00 O ATOM 914 CB THR A 59 -6.188 -0.077 -3.048 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.902 0.709 -3.986 1.00 0.00 O ATOM 916 CG2 THR A 59 -6.988 -0.101 -1.765 1.00 0.00 C ATOM 0 H THR A 59 -5.129 2.066 -4.158 1.00 0.00 H new ATOM 0 HA THR A 59 -4.507 0.406 -1.805 1.00 0.00 H new ATOM 0 HB THR A 59 -6.069 -1.101 -3.403 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.459 1.360 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.987 -0.489 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.489 -0.741 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.065 0.910 -1.366 1.00 0.00 H new ATOM 924 N VAL A 60 -3.278 -1.446 -3.004 1.00 0.00 N ATOM 925 CA VAL A 60 -2.334 -2.352 -3.647 1.00 0.00 C ATOM 926 C VAL A 60 -2.945 -3.735 -3.827 1.00 0.00 C ATOM 927 O VAL A 60 -3.214 -4.437 -2.851 1.00 0.00 O ATOM 928 CB VAL A 60 -1.025 -2.485 -2.843 1.00 0.00 C ATOM 929 CG1 VAL A 60 0.127 -2.855 -3.768 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.716 -1.201 -2.087 1.00 0.00 C ATOM 0 H VAL A 60 -3.501 -1.684 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.103 -1.921 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.153 -3.282 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.045 -2.946 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.089 -3.805 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.251 -2.079 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.212 -1.322 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.609 -0.379 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.529 -0.981 -1.396 1.00 0.00 H new ATOM 940 N GLN A 61 -3.154 -4.123 -5.082 1.00 0.00 N ATOM 941 CA GLN A 61 -3.727 -5.426 -5.393 1.00 0.00 C ATOM 942 C GLN A 61 -2.712 -6.298 -6.117 1.00 0.00 C ATOM 943 O GLN A 61 -1.943 -5.818 -6.948 1.00 0.00 O ATOM 944 CB GLN A 61 -4.984 -5.273 -6.246 1.00 0.00 C ATOM 945 CG GLN A 61 -6.043 -6.326 -5.955 1.00 0.00 C ATOM 946 CD GLN A 61 -6.611 -6.957 -7.213 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.958 -8.138 -7.225 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.709 -6.171 -8.277 1.00 0.00 N ATOM 0 H GLN A 61 -2.935 -3.553 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.998 -5.908 -4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.410 -4.284 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.708 -5.327 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.610 -7.105 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.853 -5.871 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.409 -5.198 -8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.084 -6.540 -9.151 1.00 0.00 H new ATOM 957 N GLY A 62 -2.709 -7.580 -5.785 1.00 0.00 N ATOM 958 CA GLY A 62 -1.775 -8.506 -6.396 1.00 0.00 C ATOM 959 C GLY A 62 -0.772 -9.036 -5.392 1.00 0.00 C ATOM 960 O GLY A 62 -0.170 -10.089 -5.596 1.00 0.00 O ATOM 0 H GLY A 62 -3.339 -7.998 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.324 -9.339 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.247 -8.007 -7.209 1.00 0.00 H new ATOM 964 N ILE A 63 -0.598 -8.296 -4.301 1.00 0.00 N ATOM 965 CA ILE A 63 0.329 -8.677 -3.247 1.00 0.00 C ATOM 966 C ILE A 63 -0.142 -9.946 -2.542 1.00 0.00 C ATOM 967 O ILE A 63 -1.341 -10.220 -2.469 1.00 0.00 O ATOM 968 CB ILE A 63 0.500 -7.515 -2.234 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.355 -6.391 -2.842 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.108 -7.992 -0.921 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.475 -6.874 -3.737 1.00 0.00 C ATOM 0 H ILE A 63 -1.093 -7.422 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 63 1.298 -8.885 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.494 -7.125 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.707 -5.728 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.782 -5.798 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.211 -7.147 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.459 -8.744 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.089 -8.426 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.027 -6.017 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.149 -7.512 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.057 -7.441 -4.569 1.00 0.00 H new ATOM 983 N ALA A 64 0.811 -10.723 -2.038 1.00 0.00 N ATOM 984 CA ALA A 64 0.498 -11.971 -1.355 1.00 0.00 C ATOM 985 C ALA A 64 0.263 -11.752 0.132 1.00 0.00 C ATOM 986 O ALA A 64 1.060 -11.101 0.810 1.00 0.00 O ATOM 987 CB ALA A 64 1.615 -12.981 -1.569 1.00 0.00 C ATOM 0 H ALA A 64 1.807 -10.509 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.425 -12.362 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.370 -13.910 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.729 -13.177 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.548 -12.581 -1.172 1.00 0.00 H new ATOM 993 N ASP A 65 -0.831 -12.311 0.639 1.00 0.00 N ATOM 994 CA ASP A 65 -1.165 -12.189 2.051 1.00 0.00 C ATOM 995 C ASP A 65 -0.064 -12.797 2.916 1.00 0.00 C ATOM 996 O ASP A 65 0.054 -12.482 4.100 1.00 0.00 O ATOM 997 CB ASP A 65 -2.500 -12.875 2.343 1.00 0.00 C ATOM 998 CG ASP A 65 -2.578 -14.268 1.751 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.363 -14.406 0.528 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -2.853 -15.221 2.509 1.00 0.00 O ATOM 0 H ASP A 65 -1.500 -12.853 0.092 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.253 -11.130 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.647 -12.933 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.312 -12.268 1.943 1.00 0.00 H new ATOM 1005 N ASP A 66 0.743 -13.669 2.314 1.00 0.00 N ATOM 1006 CA ASP A 66 1.837 -14.316 3.027 1.00 0.00 C ATOM 1007 C ASP A 66 2.870 -13.288 3.479 1.00 0.00 C ATOM 1008 O ASP A 66 3.621 -13.524 4.426 1.00 0.00 O ATOM 1009 CB ASP A 66 2.499 -15.371 2.139 1.00 0.00 C ATOM 1010 CG ASP A 66 2.495 -16.748 2.774 1.00 0.00 C ATOM 1011 OD1 ASP A 66 3.174 -16.927 3.808 1.00 0.00 O ATOM 1012 OD2 ASP A 66 1.814 -17.647 2.239 1.00 0.00 O ATOM 0 H ASP A 66 0.658 -13.942 1.335 1.00 0.00 H new ATOM 0 HA ASP A 66 1.427 -14.805 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.979 -15.414 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.527 -15.073 1.931 1.00 0.00 H new ATOM 1017 N TYR A 67 2.899 -12.143 2.799 1.00 0.00 N ATOM 1018 CA TYR A 67 3.836 -11.075 3.132 1.00 0.00 C ATOM 1019 C TYR A 67 3.767 -10.731 4.616 1.00 0.00 C ATOM 1020 O TYR A 67 2.988 -11.319 5.367 1.00 0.00 O ATOM 1021 CB TYR A 67 3.523 -9.820 2.314 1.00 0.00 C ATOM 1022 CG TYR A 67 3.811 -9.936 0.832 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.110 -11.157 0.236 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.776 -8.809 0.025 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.366 -11.245 -1.119 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.029 -8.887 -1.327 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.324 -10.107 -1.896 1.00 0.00 C ATOM 1028 OH TYR A 67 4.578 -10.189 -3.246 1.00 0.00 O ATOM 0 H TYR A 67 2.283 -11.932 2.014 1.00 0.00 H new ATOM 0 HA TYR A 67 4.840 -11.428 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.470 -9.571 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.100 -8.988 2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.143 -12.050 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.546 -7.850 0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.598 -12.200 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.996 -7.997 -1.938 1.00 0.00 H new ATOM 0 HH TYR A 67 4.507 -9.298 -3.647 1.00 0.00 H new ATOM 1038 N ASP A 68 4.573 -9.761 5.027 1.00 0.00 N ATOM 1039 CA ASP A 68 4.593 -9.324 6.416 1.00 0.00 C ATOM 1040 C ASP A 68 3.689 -8.110 6.598 1.00 0.00 C ATOM 1041 O ASP A 68 4.160 -7.014 6.894 1.00 0.00 O ATOM 1042 CB ASP A 68 6.021 -8.987 6.850 1.00 0.00 C ATOM 1043 CG ASP A 68 6.994 -10.113 6.560 1.00 0.00 C ATOM 1044 OD1 ASP A 68 7.200 -10.429 5.369 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.552 -10.679 7.523 1.00 0.00 O ATOM 0 H ASP A 68 5.221 -9.262 4.418 1.00 0.00 H new ATOM 0 HA ASP A 68 4.223 -10.137 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.351 -8.084 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.031 -8.768 7.918 1.00 0.00 H new ATOM 1050 N LYS A 69 2.384 -8.319 6.405 1.00 0.00 N ATOM 1051 CA LYS A 69 1.387 -7.252 6.531 1.00 0.00 C ATOM 1052 C LYS A 69 1.781 -6.228 7.592 1.00 0.00 C ATOM 1053 O LYS A 69 1.649 -5.021 7.383 1.00 0.00 O ATOM 1054 CB LYS A 69 0.020 -7.849 6.872 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.550 -8.729 5.772 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.059 -8.861 5.889 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.449 -9.997 6.822 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.347 -11.323 6.154 1.00 0.00 N ATOM 0 H LYS A 69 1.990 -9.227 6.158 1.00 0.00 H new ATOM 0 HA LYS A 69 1.335 -6.737 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.107 -8.435 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.680 -7.039 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.295 -8.308 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.093 -9.717 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.480 -7.925 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.487 -9.036 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.804 -9.983 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.470 -9.845 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.621 -12.071 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.981 -11.346 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.367 -11.480 5.842 1.00 0.00 H new ATOM 1072 N LYS A 70 2.273 -6.717 8.726 1.00 0.00 N ATOM 1073 CA LYS A 70 2.693 -5.844 9.816 1.00 0.00 C ATOM 1074 C LYS A 70 3.728 -4.835 9.329 1.00 0.00 C ATOM 1075 O LYS A 70 3.548 -3.628 9.478 1.00 0.00 O ATOM 1076 CB LYS A 70 3.270 -6.670 10.966 1.00 0.00 C ATOM 1077 CG LYS A 70 2.293 -7.690 11.532 1.00 0.00 C ATOM 1078 CD LYS A 70 2.761 -9.116 11.282 1.00 0.00 C ATOM 1079 CE LYS A 70 2.553 -9.994 12.505 1.00 0.00 C ATOM 1080 NZ LYS A 70 3.605 -9.769 13.534 1.00 0.00 N ATOM 0 H LYS A 70 2.391 -7.713 8.914 1.00 0.00 H new ATOM 0 HA LYS A 70 1.819 -5.301 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.163 -7.189 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.583 -5.997 11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.177 -7.527 12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.312 -7.544 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.217 -9.535 10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.817 -9.111 11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.573 -9.790 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.557 -11.042 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.428 -10.386 14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.538 -9.988 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.585 -8.775 13.839 1.00 0.00 H new ATOM 1094 N LYS A 71 4.810 -5.339 8.745 1.00 0.00 N ATOM 1095 CA LYS A 71 5.874 -4.483 8.233 1.00 0.00 C ATOM 1096 C LYS A 71 5.525 -3.936 6.850 1.00 0.00 C ATOM 1097 O LYS A 71 6.053 -2.908 6.428 1.00 0.00 O ATOM 1098 CB LYS A 71 7.191 -5.261 8.168 1.00 0.00 C ATOM 1099 CG LYS A 71 8.424 -4.374 8.198 1.00 0.00 C ATOM 1100 CD LYS A 71 9.690 -5.174 7.933 1.00 0.00 C ATOM 1101 CE LYS A 71 10.673 -4.393 7.075 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.511 -4.700 5.627 1.00 0.00 N ATOM 0 H LYS A 71 4.973 -6.337 8.614 1.00 0.00 H new ATOM 0 HA LYS A 71 5.986 -3.640 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.234 -5.957 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.206 -5.858 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.326 -3.587 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.498 -3.884 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.161 -5.436 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.433 -6.109 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.529 -3.325 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.691 -4.628 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.199 -4.148 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.674 -5.715 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.547 -4.452 5.325 1.00 0.00 H new ATOM 1116 N LEU A 72 4.633 -4.631 6.147 1.00 0.00 N ATOM 1117 CA LEU A 72 4.214 -4.218 4.811 1.00 0.00 C ATOM 1118 C LEU A 72 3.768 -2.758 4.802 1.00 0.00 C ATOM 1119 O LEU A 72 4.409 -1.906 4.186 1.00 0.00 O ATOM 1120 CB LEU A 72 3.078 -5.117 4.312 1.00 0.00 C ATOM 1121 CG LEU A 72 3.226 -5.616 2.873 1.00 0.00 C ATOM 1122 CD1 LEU A 72 3.183 -4.452 1.898 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.517 -6.403 2.716 1.00 0.00 C ATOM 0 H LEU A 72 4.186 -5.484 6.482 1.00 0.00 H new ATOM 0 HA LEU A 72 5.069 -4.317 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.002 -5.980 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.139 -4.569 4.395 1.00 0.00 H new ATOM 0 HG LEU A 72 2.391 -6.279 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.290 -4.826 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.231 -3.931 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.998 -3.762 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.608 -6.751 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.365 -5.763 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.505 -7.260 3.389 1.00 0.00 H new ATOM 1135 N VAL A 73 2.664 -2.477 5.486 1.00 0.00 N ATOM 1136 CA VAL A 73 2.132 -1.121 5.552 1.00 0.00 C ATOM 1137 C VAL A 73 2.899 -0.268 6.559 1.00 0.00 C ATOM 1138 O VAL A 73 3.150 0.914 6.320 1.00 0.00 O ATOM 1139 CB VAL A 73 0.634 -1.127 5.920 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.430 -1.575 7.361 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.018 0.243 5.684 1.00 0.00 C ATOM 0 H VAL A 73 2.121 -3.169 6.002 1.00 0.00 H new ATOM 0 HA VAL A 73 2.253 -0.685 4.560 1.00 0.00 H new ATOM 0 HB VAL A 73 0.128 -1.843 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.634 -1.571 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.826 -2.583 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.952 -0.893 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.039 0.217 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.529 0.983 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.121 0.512 4.633 1.00 0.00 H new ATOM 1151 N LYS A 74 3.273 -0.872 7.686 1.00 0.00 N ATOM 1152 CA LYS A 74 4.013 -0.160 8.723 1.00 0.00 C ATOM 1153 C LYS A 74 5.255 0.506 8.141 1.00 0.00 C ATOM 1154 O LYS A 74 5.540 1.669 8.427 1.00 0.00 O ATOM 1155 CB LYS A 74 4.412 -1.118 9.847 1.00 0.00 C ATOM 1156 CG LYS A 74 5.191 -0.453 10.972 1.00 0.00 C ATOM 1157 CD LYS A 74 6.286 -1.365 11.506 1.00 0.00 C ATOM 1158 CE LYS A 74 6.263 -1.437 13.024 1.00 0.00 C ATOM 1159 NZ LYS A 74 6.723 -0.165 13.648 1.00 0.00 N ATOM 0 H LYS A 74 3.076 -1.849 7.902 1.00 0.00 H new ATOM 0 HA LYS A 74 3.363 0.614 9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.512 -1.573 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.014 -1.925 9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.633 0.475 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.510 -0.188 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.161 -2.365 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.258 -1.001 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.251 -1.662 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.900 -2.256 13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.692 -0.255 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.698 0.037 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.100 0.613 13.350 1.00 0.00 H new ATOM 1173 N ALA A 75 5.986 -0.236 7.317 1.00 0.00 N ATOM 1174 CA ALA A 75 7.191 0.287 6.689 1.00 0.00 C ATOM 1175 C ALA A 75 6.855 1.460 5.777 1.00 0.00 C ATOM 1176 O ALA A 75 7.666 2.368 5.591 1.00 0.00 O ATOM 1177 CB ALA A 75 7.900 -0.808 5.907 1.00 0.00 C ATOM 0 H ALA A 75 5.765 -1.200 7.069 1.00 0.00 H new ATOM 0 HA ALA A 75 7.860 0.642 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.799 -0.401 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.175 -1.618 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.235 -1.191 5.133 1.00 0.00 H new ATOM 1183 N PHE A 76 5.651 1.437 5.211 1.00 0.00 N ATOM 1184 CA PHE A 76 5.206 2.499 4.321 1.00 0.00 C ATOM 1185 C PHE A 76 5.105 3.827 5.065 1.00 0.00 C ATOM 1186 O PHE A 76 5.587 4.854 4.589 1.00 0.00 O ATOM 1187 CB PHE A 76 3.855 2.142 3.701 1.00 0.00 C ATOM 1188 CG PHE A 76 3.606 2.830 2.390 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.031 2.261 1.201 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.953 4.051 2.349 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.809 2.897 -0.004 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.726 4.690 1.146 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.156 4.113 -0.032 1.00 0.00 C ATOM 0 H PHE A 76 4.968 0.693 5.355 1.00 0.00 H new ATOM 0 HA PHE A 76 5.944 2.605 3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.804 1.063 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.061 2.406 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.542 1.309 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.618 4.508 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.146 2.443 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.213 5.640 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.982 4.612 -0.974 1.00 0.00 H new ATOM 1203 N LYS A 77 4.480 3.798 6.239 1.00 0.00 N ATOM 1204 CA LYS A 77 4.322 5.002 7.050 1.00 0.00 C ATOM 1205 C LYS A 77 5.667 5.486 7.588 1.00 0.00 C ATOM 1206 O LYS A 77 5.777 6.600 8.098 1.00 0.00 O ATOM 1207 CB LYS A 77 3.362 4.739 8.212 1.00 0.00 C ATOM 1208 CG LYS A 77 1.908 4.631 7.787 1.00 0.00 C ATOM 1209 CD LYS A 77 1.091 3.838 8.794 1.00 0.00 C ATOM 1210 CE LYS A 77 1.052 2.360 8.439 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.157 1.592 9.347 1.00 0.00 N ATOM 0 H LYS A 77 4.076 2.956 6.649 1.00 0.00 H new ATOM 0 HA LYS A 77 3.907 5.782 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.655 3.816 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.460 5.543 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.484 5.629 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.848 4.152 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.517 3.963 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.075 4.231 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.711 2.243 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.060 1.948 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.579 0.662 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.035 2.115 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.769 1.462 8.893 1.00 0.00 H new ATOM 1225 N LYS A 78 6.690 4.645 7.471 1.00 0.00 N ATOM 1226 CA LYS A 78 8.023 4.995 7.944 1.00 0.00 C ATOM 1227 C LYS A 78 8.887 5.523 6.801 1.00 0.00 C ATOM 1228 O LYS A 78 9.908 6.172 7.031 1.00 0.00 O ATOM 1229 CB LYS A 78 8.693 3.775 8.575 1.00 0.00 C ATOM 1230 CG LYS A 78 7.974 3.257 9.810 1.00 0.00 C ATOM 1231 CD LYS A 78 8.108 4.221 10.978 1.00 0.00 C ATOM 1232 CE LYS A 78 7.517 3.639 12.251 1.00 0.00 C ATOM 1233 NZ LYS A 78 8.295 4.038 13.457 1.00 0.00 N ATOM 0 H LYS A 78 6.621 3.717 7.053 1.00 0.00 H new ATOM 0 HA LYS A 78 7.922 5.781 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.747 2.977 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.718 4.031 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.919 3.105 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.382 2.286 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.160 4.456 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.605 5.158 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.485 3.973 12.358 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.494 2.552 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.860 3.621 14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.274 3.698 13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.295 5.074 13.543 1.00 0.00 H new ATOM 1247 N LYS A 79 8.475 5.235 5.569 1.00 0.00 N ATOM 1248 CA LYS A 79 9.217 5.673 4.393 1.00 0.00 C ATOM 1249 C LYS A 79 8.598 6.925 3.777 1.00 0.00 C ATOM 1250 O LYS A 79 9.301 7.889 3.475 1.00 0.00 O ATOM 1251 CB LYS A 79 9.263 4.551 3.354 1.00 0.00 C ATOM 1252 CG LYS A 79 10.501 4.591 2.470 1.00 0.00 C ATOM 1253 CD LYS A 79 10.137 4.524 0.995 1.00 0.00 C ATOM 1254 CE LYS A 79 11.375 4.404 0.121 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.439 5.361 0.530 1.00 0.00 N ATOM 0 H LYS A 79 7.632 4.700 5.361 1.00 0.00 H new ATOM 0 HA LYS A 79 10.231 5.918 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.224 3.590 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.375 4.613 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.060 5.506 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.156 3.757 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.482 3.671 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.578 5.417 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.761 3.386 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.104 4.585 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.159 5.419 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.021 6.301 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.881 5.032 1.412 1.00 0.00 H new ATOM 1269 N PHE A 80 7.283 6.900 3.580 1.00 0.00 N ATOM 1270 CA PHE A 80 6.580 8.035 2.985 1.00 0.00 C ATOM 1271 C PHE A 80 5.687 8.744 4.000 1.00 0.00 C ATOM 1272 O PHE A 80 5.197 9.843 3.740 1.00 0.00 O ATOM 1273 CB PHE A 80 5.733 7.577 1.793 1.00 0.00 C ATOM 1274 CG PHE A 80 6.337 6.442 1.017 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.200 5.135 1.458 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.038 6.681 -0.153 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.751 4.089 0.745 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.593 5.638 -0.869 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.449 4.340 -0.420 1.00 0.00 C ATOM 0 H PHE A 80 6.684 6.111 3.822 1.00 0.00 H new ATOM 0 HA PHE A 80 7.338 8.740 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.750 7.275 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.581 8.422 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.656 4.933 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.152 7.694 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.636 3.075 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.139 5.838 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.881 3.523 -0.979 1.00 0.00 H new ATOM 1289 N ALA A 81 5.468 8.115 5.151 1.00 0.00 N ATOM 1290 CA ALA A 81 4.623 8.701 6.183 1.00 0.00 C ATOM 1291 C ALA A 81 3.195 8.867 5.678 1.00 0.00 C ATOM 1292 O ALA A 81 2.577 9.917 5.856 1.00 0.00 O ATOM 1293 CB ALA A 81 5.187 10.041 6.635 1.00 0.00 C ATOM 0 H ALA A 81 5.862 7.205 5.390 1.00 0.00 H new ATOM 0 HA ALA A 81 4.608 8.025 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.544 10.465 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.190 9.897 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.232 10.722 5.785 1.00 0.00 H new ATOM 1299 N CYS A 82 2.678 7.820 5.044 1.00 0.00 N ATOM 1300 CA CYS A 82 1.323 7.844 4.505 1.00 0.00 C ATOM 1301 C CYS A 82 0.416 6.881 5.266 1.00 0.00 C ATOM 1302 O CYS A 82 0.804 5.752 5.563 1.00 0.00 O ATOM 1303 CB CYS A 82 1.336 7.483 3.019 1.00 0.00 C ATOM 1304 SG CYS A 82 2.258 8.646 1.986 1.00 0.00 S ATOM 0 H CYS A 82 3.177 6.944 4.891 1.00 0.00 H new ATOM 0 HA CYS A 82 0.931 8.854 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.766 6.489 2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.308 7.430 2.660 1.00 0.00 H new ATOM 0 HG CYS A 82 3.306 9.064 2.632 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.792 7.337 5.579 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.753 6.518 6.305 1.00 0.00 C ATOM 1312 C ASN A 83 -2.090 5.252 5.526 1.00 0.00 C ATOM 1313 O ASN A 83 -2.963 5.257 4.659 1.00 0.00 O ATOM 1314 CB ASN A 83 -3.027 7.317 6.585 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.073 7.847 8.004 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -3.336 9.028 8.230 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.814 6.974 8.969 1.00 0.00 N ATOM 0 H ASN A 83 -1.128 8.270 5.341 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.301 6.227 7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.091 8.151 5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.897 6.684 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.828 7.273 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.601 6.004 8.736 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.392 4.168 5.843 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.632 2.910 5.164 1.00 0.00 C ATOM 1326 C GLY A 84 -2.433 1.941 6.007 1.00 0.00 C ATOM 1327 O GLY A 84 -2.123 1.723 7.178 1.00 0.00 O ATOM 0 H GLY A 84 -0.665 4.138 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.163 3.100 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.677 2.455 4.901 1.00 0.00 H new ATOM 1331 N THR A 85 -3.471 1.360 5.414 1.00 0.00 N ATOM 1332 CA THR A 85 -4.321 0.412 6.128 1.00 0.00 C ATOM 1333 C THR A 85 -4.699 -0.774 5.248 1.00 0.00 C ATOM 1334 O THR A 85 -5.270 -0.606 4.172 1.00 0.00 O ATOM 1335 CB THR A 85 -5.585 1.109 6.629 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.314 1.667 5.551 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.300 2.220 7.615 1.00 0.00 C ATOM 0 H THR A 85 -3.744 1.527 4.445 1.00 0.00 H new ATOM 0 HA THR A 85 -3.753 0.035 6.979 1.00 0.00 H new ATOM 0 HB THR A 85 -6.162 0.334 7.133 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.120 2.107 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.239 2.674 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.783 1.812 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.673 2.975 7.141 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.382 -1.975 5.721 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.692 -3.198 4.987 1.00 0.00 C ATOM 1347 C VAL A 86 -6.130 -3.640 5.245 1.00 0.00 C ATOM 1348 O VAL A 86 -6.499 -3.948 6.379 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.734 -4.342 5.377 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -3.871 -4.679 6.854 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -3.989 -5.571 4.516 1.00 0.00 C ATOM 0 H VAL A 86 -3.909 -2.128 6.612 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.568 -2.976 3.927 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.712 -4.008 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.186 -5.488 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.631 -3.800 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.894 -4.991 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.303 -6.367 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.016 -5.907 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.830 -5.320 3.467 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.941 -3.674 4.189 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.336 -4.085 4.315 1.00 0.00 C ATOM 1363 C ILE A 87 -8.701 -5.129 3.262 1.00 0.00 C ATOM 1364 O ILE A 87 -8.156 -5.127 2.158 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.307 -2.879 4.206 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -9.544 -2.477 2.743 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -8.777 -1.692 4.998 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -8.308 -1.955 2.047 1.00 0.00 C ATOM 0 H ILE A 87 -6.657 -3.423 3.242 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.443 -4.524 5.307 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.263 -3.188 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.921 -3.340 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.320 -1.713 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.471 -0.856 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.676 -1.970 6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.804 -1.398 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.554 -1.692 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.942 -1.072 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.536 -2.725 2.050 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.633 -6.011 3.607 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.073 -7.049 2.685 1.00 0.00 C ATOM 1382 C GLU A 88 -11.183 -6.524 1.781 1.00 0.00 C ATOM 1383 O GLU A 88 -12.364 -6.776 2.015 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.557 -8.281 3.449 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.255 -9.588 2.736 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.208 -10.772 3.683 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -9.728 -10.601 4.822 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.653 -11.869 3.283 1.00 0.00 O ATOM 0 H GLU A 88 -10.096 -6.027 4.516 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.223 -7.336 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.090 -8.296 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.632 -8.202 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.015 -9.766 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.299 -9.503 2.219 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.788 -5.785 0.751 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.735 -5.207 -0.193 1.00 0.00 C ATOM 1397 C HIS A 89 -12.600 -6.286 -0.843 1.00 0.00 C ATOM 1398 O HIS A 89 -12.114 -7.370 -1.166 1.00 0.00 O ATOM 1399 CB HIS A 89 -10.981 -4.426 -1.266 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.716 -3.224 -1.764 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.329 -3.177 -2.996 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -11.937 -2.018 -1.189 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.898 -1.996 -3.161 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.676 -1.274 -2.077 1.00 0.00 N ATOM 0 H HIS A 89 -9.811 -5.571 0.548 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.394 -4.533 0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.018 -4.111 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.774 -5.088 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.596 -1.700 -0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.450 -1.676 -4.032 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.001 -0.319 -1.924 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.899 -6.001 -1.049 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.828 -6.949 -1.665 1.00 0.00 C ATOM 1415 C PRO A 90 -14.735 -6.952 -3.188 1.00 0.00 C ATOM 1416 O PRO A 90 -15.198 -7.884 -3.846 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.189 -6.426 -1.215 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.002 -4.951 -1.106 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.567 -4.731 -0.697 1.00 0.00 C ATOM 0 HA PRO A 90 -14.624 -7.979 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.968 -6.676 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.486 -6.861 -0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.214 -4.462 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.685 -4.527 -0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.125 -3.887 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.483 -4.517 0.369 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.134 -5.904 -3.745 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.980 -5.786 -5.190 1.00 0.00 C ATOM 1429 C GLU A 91 -12.759 -6.562 -5.674 1.00 0.00 C ATOM 1430 O GLU A 91 -12.676 -6.943 -6.841 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.851 -4.315 -5.589 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.937 -3.841 -6.541 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.702 -4.298 -7.968 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.020 -5.327 -8.157 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -15.199 -3.626 -8.895 1.00 0.00 O ATOM 0 H GLU A 91 -13.745 -5.124 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.867 -6.210 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.876 -3.700 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.878 -4.158 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.903 -4.213 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.987 -2.752 -6.516 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.807 -6.778 -4.773 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.584 -7.494 -5.115 1.00 0.00 C ATOM 1444 C TYR A 92 -10.303 -8.611 -4.118 1.00 0.00 C ATOM 1445 O TYR A 92 -10.121 -9.766 -4.501 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.406 -6.519 -5.155 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.793 -5.136 -5.630 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.399 -4.956 -6.865 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.560 -4.015 -4.843 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.762 -3.700 -7.305 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.920 -2.754 -5.276 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.521 -2.601 -6.508 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.882 -1.347 -6.943 1.00 0.00 O ATOM 0 H TYR A 92 -11.858 -6.468 -3.803 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.716 -7.945 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.970 -6.445 -4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.634 -6.919 -5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.590 -5.814 -7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.090 -4.132 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.233 -3.578 -8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.732 -1.892 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.644 -0.683 -6.262 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.272 -8.259 -2.838 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.014 -9.247 -1.808 1.00 0.00 C ATOM 1465 C GLY A 93 -8.582 -9.208 -1.307 1.00 0.00 C ATOM 1466 O GLY A 93 -7.661 -9.637 -2.003 1.00 0.00 O ATOM 0 H GLY A 93 -10.421 -7.310 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.692 -9.080 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.231 -10.241 -2.200 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.398 -8.698 -0.094 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.074 -8.608 0.511 1.00 0.00 C ATOM 1472 C GLU A 94 -6.182 -7.620 -0.238 1.00 0.00 C ATOM 1473 O GLU A 94 -5.299 -8.016 -0.999 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.409 -9.986 0.549 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.579 -10.229 1.798 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.412 -10.725 2.964 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.139 -11.726 2.792 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.338 -10.112 4.050 1.00 0.00 O ATOM 0 H GLU A 94 -9.152 -8.339 0.492 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.202 -8.243 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.180 -10.754 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.771 -10.096 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.800 -10.959 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.077 -9.304 2.082 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.414 -6.330 -0.010 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.628 -5.283 -0.652 1.00 0.00 C ATOM 1487 C VAL A 95 -5.308 -4.174 0.341 1.00 0.00 C ATOM 1488 O VAL A 95 -6.149 -3.803 1.158 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.368 -4.675 -1.860 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.612 -5.732 -2.924 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.680 -4.037 -1.421 1.00 0.00 C ATOM 0 H VAL A 95 -7.142 -5.985 0.616 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.706 -5.745 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.739 -3.896 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.135 -5.284 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.657 -6.136 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.219 -6.536 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.187 -3.614 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.317 -4.793 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.476 -3.247 -0.698 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.093 -3.644 0.272 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.691 -2.575 1.176 1.00 0.00 C ATOM 1503 C ILE A 96 -4.368 -1.267 0.784 1.00 0.00 C ATOM 1504 O ILE A 96 -4.750 -1.080 -0.369 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.153 -2.406 1.204 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.540 -3.472 2.124 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.754 -1.001 1.651 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.149 -2.961 3.495 1.00 0.00 C ATOM 0 H ILE A 96 -3.376 -3.933 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.011 -2.848 2.182 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.767 -2.541 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.254 -4.287 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.657 -3.890 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.667 -0.917 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.169 -0.268 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.140 -0.815 2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.725 -3.777 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.410 -2.167 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.031 -2.571 4.003 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.530 -0.375 1.753 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.179 0.908 1.505 1.00 0.00 C ATOM 1522 C GLN A 97 -4.321 2.065 2.004 1.00 0.00 C ATOM 1523 O GLN A 97 -4.377 2.433 3.177 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.550 0.947 2.188 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.690 1.318 1.255 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.023 1.407 1.972 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.115 1.945 3.074 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.067 0.873 1.347 1.00 0.00 N ATOM 0 H GLN A 97 -4.222 -0.515 2.715 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.308 1.016 0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.755 -0.030 2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.516 1.664 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.471 2.275 0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.759 0.577 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.946 0.436 0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.990 0.900 1.781 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.537 2.642 1.102 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.678 3.767 1.448 1.00 0.00 C ATOM 1539 C LEU A 98 -3.449 5.076 1.342 1.00 0.00 C ATOM 1540 O LEU A 98 -4.461 5.151 0.649 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.459 3.807 0.530 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.486 2.641 0.697 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.491 2.594 -0.469 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.261 2.759 2.018 1.00 0.00 C ATOM 0 H LEU A 98 -3.478 2.350 0.127 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.341 3.638 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.802 3.829 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.920 4.738 0.707 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.055 1.711 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.177 1.758 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.060 2.465 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.056 3.525 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.950 1.921 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.821 3.694 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.453 2.747 2.842 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.969 6.103 2.032 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.623 7.408 2.008 1.00 0.00 C ATOM 1558 C GLN A 99 -2.951 8.340 1.005 1.00 0.00 C ATOM 1559 O GLN A 99 -1.728 8.345 0.870 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.606 8.039 3.402 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.992 8.302 3.967 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.634 9.544 3.378 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.571 9.457 2.584 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.130 10.710 3.765 1.00 0.00 N ATOM 0 H GLN A 99 -2.132 6.059 2.614 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.657 7.259 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.064 7.382 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.056 8.979 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.630 7.440 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.925 8.410 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.353 10.736 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.520 11.580 3.402 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.760 9.128 0.303 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.228 10.053 -0.680 1.00 0.00 C ATOM 1575 C GLY A 100 -2.914 9.375 -1.999 1.00 0.00 C ATOM 1576 O GLY A 100 -3.173 8.184 -2.167 1.00 0.00 O ATOM 0 H GLY A 100 -4.775 9.142 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.948 10.854 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.322 10.515 -0.287 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.351 10.132 -2.936 1.00 0.00 N ATOM 1581 CA ASP A 101 -1.997 9.587 -4.242 1.00 0.00 C ATOM 1582 C ASP A 101 -0.620 8.933 -4.191 1.00 0.00 C ATOM 1583 O ASP A 101 0.379 9.525 -4.598 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.020 10.686 -5.305 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.166 11.879 -4.923 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.375 12.429 -3.820 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.292 12.266 -5.725 1.00 0.00 O ATOM 0 H ASP A 101 -2.131 11.121 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.734 8.829 -4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.667 10.279 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.048 11.014 -5.462 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.580 7.707 -3.680 1.00 0.00 N ATOM 1593 CA GLN A 102 0.665 6.960 -3.560 1.00 0.00 C ATOM 1594 C GLN A 102 0.833 5.978 -4.718 1.00 0.00 C ATOM 1595 O GLN A 102 1.688 5.094 -4.667 1.00 0.00 O ATOM 1596 CB GLN A 102 0.691 6.201 -2.229 1.00 0.00 C ATOM 1597 CG GLN A 102 1.347 6.962 -1.084 1.00 0.00 C ATOM 1598 CD GLN A 102 0.974 8.432 -1.049 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.825 9.296 -0.836 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.302 8.722 -1.255 1.00 0.00 N ATOM 0 H GLN A 102 -1.402 7.208 -3.340 1.00 0.00 H new ATOM 0 HA GLN A 102 1.491 7.670 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.332 5.953 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.219 5.258 -2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.062 6.499 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.430 6.871 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.974 7.974 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.613 9.693 -1.241 1.00 0.00 H new ATOM 1609 N ARG A 103 0.014 6.132 -5.758 1.00 0.00 N ATOM 1610 CA ARG A 103 0.082 5.247 -6.921 1.00 0.00 C ATOM 1611 C ARG A 103 1.526 5.064 -7.385 1.00 0.00 C ATOM 1612 O ARG A 103 1.922 3.977 -7.802 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.792 5.788 -8.065 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.150 6.896 -8.891 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.276 8.251 -8.212 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.347 9.056 -8.795 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.403 10.384 -8.724 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.453 11.063 -8.092 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.411 11.035 -9.286 1.00 0.00 N ATOM 0 H ARG A 103 -0.701 6.857 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.303 4.271 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.049 4.962 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.726 6.162 -7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.903 6.666 -9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.621 6.936 -9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.468 8.108 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.669 8.788 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.098 8.571 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.325 10.567 -7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.501 12.081 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.144 10.518 -9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.454 12.053 -9.232 1.00 0.00 H new ATOM 1633 N LYS A 104 2.307 6.134 -7.291 1.00 0.00 N ATOM 1634 CA LYS A 104 3.709 6.095 -7.682 1.00 0.00 C ATOM 1635 C LYS A 104 4.581 5.737 -6.484 1.00 0.00 C ATOM 1636 O LYS A 104 5.672 5.186 -6.636 1.00 0.00 O ATOM 1637 CB LYS A 104 4.141 7.443 -8.261 1.00 0.00 C ATOM 1638 CG LYS A 104 5.302 7.343 -9.237 1.00 0.00 C ATOM 1639 CD LYS A 104 4.872 6.714 -10.553 1.00 0.00 C ATOM 1640 CE LYS A 104 4.647 7.767 -11.626 1.00 0.00 C ATOM 1641 NZ LYS A 104 5.928 8.377 -12.081 1.00 0.00 N ATOM 0 H LYS A 104 1.991 7.041 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 104 3.832 5.331 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.291 7.901 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.421 8.107 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.708 8.337 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.102 6.750 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.634 6.010 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.955 6.144 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.137 7.315 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.991 8.546 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.778 8.864 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.258 9.062 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.644 7.632 -12.202 1.00 0.00 H new ATOM 1655 N ASN A 105 4.085 6.052 -5.292 1.00 0.00 N ATOM 1656 CA ASN A 105 4.803 5.763 -4.057 1.00 0.00 C ATOM 1657 C ASN A 105 4.829 4.264 -3.787 1.00 0.00 C ATOM 1658 O ASN A 105 5.876 3.700 -3.472 1.00 0.00 O ATOM 1659 CB ASN A 105 4.140 6.488 -2.892 1.00 0.00 C ATOM 1660 CG ASN A 105 4.015 7.977 -3.139 1.00 0.00 C ATOM 1661 OD1 ASN A 105 3.916 8.425 -4.282 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.017 8.750 -2.065 1.00 0.00 N ATOM 0 H ASN A 105 3.184 6.510 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 105 5.830 6.113 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.150 6.066 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.720 6.320 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.934 9.762 -2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.101 8.334 -1.137 1.00 0.00 H new ATOM 1669 N ILE A 106 3.670 3.621 -3.915 1.00 0.00 N ATOM 1670 CA ILE A 106 3.572 2.187 -3.686 1.00 0.00 C ATOM 1671 C ILE A 106 4.445 1.425 -4.675 1.00 0.00 C ATOM 1672 O ILE A 106 5.248 0.579 -4.280 1.00 0.00 O ATOM 1673 CB ILE A 106 2.117 1.688 -3.773 1.00 0.00 C ATOM 1674 CG1 ILE A 106 2.042 0.214 -3.374 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.554 1.902 -5.170 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.447 -0.044 -1.937 1.00 0.00 C ATOM 0 H ILE A 106 2.792 4.070 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 106 3.929 1.998 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 106 1.509 2.266 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.024 -0.144 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.686 -0.366 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.526 1.542 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.575 2.965 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.157 1.353 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.370 -1.110 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.475 0.283 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.787 0.509 -1.268 1.00 0.00 H new ATOM 1688 N CYS A 107 4.316 1.753 -5.959 1.00 0.00 N ATOM 1689 CA CYS A 107 5.134 1.116 -6.986 1.00 0.00 C ATOM 1690 C CYS A 107 6.603 1.313 -6.633 1.00 0.00 C ATOM 1691 O CYS A 107 7.449 0.455 -6.888 1.00 0.00 O ATOM 1692 CB CYS A 107 4.826 1.718 -8.361 1.00 0.00 C ATOM 1693 SG CYS A 107 5.941 1.181 -9.681 1.00 0.00 S ATOM 0 H CYS A 107 3.659 2.450 -6.310 1.00 0.00 H new ATOM 0 HA CYS A 107 4.909 0.050 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.804 1.458 -8.637 1.00 0.00 H new ATOM 0 HB3 CYS A 107 4.869 2.805 -8.286 1.00 0.00 H new ATOM 0 HG CYS A 107 5.299 0.403 -10.501 1.00 0.00 H new ATOM 1699 N GLN A 108 6.878 2.457 -6.014 1.00 0.00 N ATOM 1700 CA GLN A 108 8.218 2.807 -5.577 1.00 0.00 C ATOM 1701 C GLN A 108 8.580 1.995 -4.333 1.00 0.00 C ATOM 1702 O GLN A 108 9.716 1.549 -4.175 1.00 0.00 O ATOM 1703 CB GLN A 108 8.279 4.320 -5.304 1.00 0.00 C ATOM 1704 CG GLN A 108 9.299 4.756 -4.263 1.00 0.00 C ATOM 1705 CD GLN A 108 10.592 5.249 -4.884 1.00 0.00 C ATOM 1706 OE1 GLN A 108 10.852 6.450 -4.933 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.411 4.318 -5.362 1.00 0.00 N ATOM 0 H GLN A 108 6.175 3.165 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 108 8.945 2.569 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.500 4.832 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.292 4.654 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.870 5.548 -3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.515 3.919 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.155 3.333 -5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.296 4.589 -5.791 1.00 0.00 H new ATOM 1716 N PHE A 109 7.593 1.796 -3.464 1.00 0.00 N ATOM 1717 CA PHE A 109 7.784 1.028 -2.241 1.00 0.00 C ATOM 1718 C PHE A 109 8.011 -0.441 -2.569 1.00 0.00 C ATOM 1719 O PHE A 109 8.966 -1.057 -2.098 1.00 0.00 O ATOM 1720 CB PHE A 109 6.560 1.167 -1.335 1.00 0.00 C ATOM 1721 CG PHE A 109 6.683 0.427 -0.034 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.568 0.858 0.939 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.910 -0.696 0.217 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.680 0.187 2.140 1.00 0.00 C ATOM 1725 CE2 PHE A 109 6.019 -1.374 1.416 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.905 -0.932 2.378 1.00 0.00 C ATOM 0 H PHE A 109 6.648 2.159 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 109 8.661 1.417 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.391 2.224 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.682 0.803 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.178 1.730 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.215 -1.045 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.372 0.536 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.412 -2.248 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.992 -1.460 3.316 1.00 0.00 H new ATOM 1736 N LEU A 110 7.122 -0.992 -3.389 1.00 0.00 N ATOM 1737 CA LEU A 110 7.210 -2.388 -3.798 1.00 0.00 C ATOM 1738 C LEU A 110 8.564 -2.676 -4.439 1.00 0.00 C ATOM 1739 O LEU A 110 9.067 -3.797 -4.375 1.00 0.00 O ATOM 1740 CB LEU A 110 6.082 -2.718 -4.779 1.00 0.00 C ATOM 1741 CG LEU A 110 4.740 -3.094 -4.137 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.460 -2.228 -2.917 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.613 -2.963 -5.150 1.00 0.00 C ATOM 0 H LEU A 110 6.328 -0.489 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 110 7.107 -3.016 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.926 -1.857 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.405 -3.543 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 110 4.798 -4.132 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.503 -2.514 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.252 -2.369 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.424 -1.180 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.668 -3.233 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.561 -1.934 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.802 -3.628 -5.993 1.00 0.00 H new ATOM 1755 N VAL A 111 9.148 -1.653 -5.054 1.00 0.00 N ATOM 1756 CA VAL A 111 10.444 -1.792 -5.704 1.00 0.00 C ATOM 1757 C VAL A 111 11.577 -1.436 -4.744 1.00 0.00 C ATOM 1758 O VAL A 111 12.677 -1.981 -4.838 1.00 0.00 O ATOM 1759 CB VAL A 111 10.538 -0.897 -6.955 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.890 -1.058 -7.636 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.407 -1.214 -7.921 1.00 0.00 C ATOM 0 H VAL A 111 8.743 -0.719 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 111 10.544 -2.835 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 111 10.441 0.142 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.933 -0.417 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.682 -0.776 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.024 -2.097 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.488 -0.573 -8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.472 -2.258 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.450 -1.038 -7.431 1.00 0.00 H new ATOM 1771 N GLU A 112 11.300 -0.520 -3.822 1.00 0.00 N ATOM 1772 CA GLU A 112 12.297 -0.092 -2.846 1.00 0.00 C ATOM 1773 C GLU A 112 12.574 -1.194 -1.830 1.00 0.00 C ATOM 1774 O GLU A 112 13.719 -1.422 -1.441 1.00 0.00 O ATOM 1775 CB GLU A 112 11.825 1.169 -2.121 1.00 0.00 C ATOM 1776 CG GLU A 112 11.964 2.437 -2.946 1.00 0.00 C ATOM 1777 CD GLU A 112 13.147 3.284 -2.520 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.500 3.253 -1.322 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.722 3.978 -3.386 1.00 0.00 O ATOM 0 H GLU A 112 10.394 -0.060 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 112 13.220 0.126 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.780 1.044 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.395 1.282 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.072 2.172 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.051 3.025 -2.858 1.00 0.00 H new ATOM 1786 N ILE A 113 11.514 -1.871 -1.400 1.00 0.00 N ATOM 1787 CA ILE A 113 11.639 -2.946 -0.422 1.00 0.00 C ATOM 1788 C ILE A 113 11.781 -4.310 -1.100 1.00 0.00 C ATOM 1789 O ILE A 113 12.144 -5.295 -0.456 1.00 0.00 O ATOM 1790 CB ILE A 113 10.424 -2.973 0.535 1.00 0.00 C ATOM 1791 CG1 ILE A 113 9.197 -3.575 -0.159 1.00 0.00 C ATOM 1792 CG2 ILE A 113 10.115 -1.568 1.035 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.950 -3.577 0.700 1.00 0.00 C ATOM 0 H ILE A 113 10.559 -1.694 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 113 12.543 -2.746 0.153 1.00 0.00 H new ATOM 0 HB ILE A 113 10.674 -3.602 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.997 -3.015 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.425 -4.599 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.258 -1.601 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.980 -1.173 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.886 -0.922 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.124 -4.018 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.131 -4.161 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.696 -2.553 0.975 1.00 0.00 H new ATOM 1805 N GLY A 114 11.486 -4.364 -2.396 1.00 0.00 N ATOM 1806 CA GLY A 114 11.580 -5.616 -3.124 1.00 0.00 C ATOM 1807 C GLY A 114 10.348 -6.475 -2.929 1.00 0.00 C ATOM 1808 O GLY A 114 10.432 -7.703 -2.896 1.00 0.00 O ATOM 0 H GLY A 114 11.184 -3.565 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.715 -5.410 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.461 -6.164 -2.792 1.00 0.00 H new ATOM 1812 N LEU A 115 9.200 -5.819 -2.794 1.00 0.00 N ATOM 1813 CA LEU A 115 7.934 -6.514 -2.590 1.00 0.00 C ATOM 1814 C LEU A 115 7.380 -7.048 -3.908 1.00 0.00 C ATOM 1815 O LEU A 115 7.474 -8.242 -4.190 1.00 0.00 O ATOM 1816 CB LEU A 115 6.926 -5.570 -1.932 1.00 0.00 C ATOM 1817 CG LEU A 115 5.788 -6.258 -1.187 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.331 -7.298 -0.218 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.940 -5.233 -0.453 1.00 0.00 C ATOM 0 H LEU A 115 9.121 -4.802 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 115 8.110 -7.366 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.458 -4.924 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.499 -4.926 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 115 5.158 -6.769 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.502 -7.777 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.896 -8.050 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.984 -6.813 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.132 -5.740 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.560 -4.695 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.520 -4.528 -1.170 1.00 0.00 H new ATOM 1831 N ALA A 116 6.807 -6.160 -4.714 1.00 0.00 N ATOM 1832 CA ALA A 116 6.249 -6.551 -6.001 1.00 0.00 C ATOM 1833 C ALA A 116 7.365 -6.815 -7.007 1.00 0.00 C ATOM 1834 O ALA A 116 8.526 -6.970 -6.629 1.00 0.00 O ATOM 1835 CB ALA A 116 5.308 -5.472 -6.519 1.00 0.00 C ATOM 0 H ALA A 116 6.718 -5.167 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 116 5.680 -7.471 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.898 -5.778 -7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.495 -5.327 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.856 -4.538 -6.638 1.00 0.00 H new ATOM 1841 N LYS A 117 7.015 -6.857 -8.289 1.00 0.00 N ATOM 1842 CA LYS A 117 8.001 -7.092 -9.337 1.00 0.00 C ATOM 1843 C LYS A 117 7.815 -6.094 -10.474 1.00 0.00 C ATOM 1844 O LYS A 117 6.690 -5.716 -10.797 1.00 0.00 O ATOM 1845 CB LYS A 117 7.886 -8.522 -9.867 1.00 0.00 C ATOM 1846 CG LYS A 117 8.904 -9.477 -9.265 1.00 0.00 C ATOM 1847 CD LYS A 117 10.233 -9.409 -9.999 1.00 0.00 C ATOM 1848 CE LYS A 117 11.143 -8.345 -9.405 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.547 -8.488 -9.877 1.00 0.00 N ATOM 0 H LYS A 117 6.060 -6.732 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 117 8.995 -6.956 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.883 -8.897 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.007 -8.510 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.055 -9.234 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.517 -10.495 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.727 -10.380 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.057 -9.192 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.769 -7.357 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.117 -8.411 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.199 -8.289 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.702 -9.458 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.723 -7.817 -10.652 1.00 0.00 H new ATOM 1863 N ASP A 118 8.920 -5.667 -11.080 1.00 0.00 N ATOM 1864 CA ASP A 118 8.856 -4.710 -12.179 1.00 0.00 C ATOM 1865 C ASP A 118 7.949 -5.221 -13.291 1.00 0.00 C ATOM 1866 O ASP A 118 7.304 -4.438 -13.989 1.00 0.00 O ATOM 1867 CB ASP A 118 10.253 -4.410 -12.725 1.00 0.00 C ATOM 1868 CG ASP A 118 11.116 -5.651 -12.842 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.479 -6.222 -11.791 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.428 -6.052 -13.983 1.00 0.00 O ATOM 0 H ASP A 118 9.863 -5.966 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 118 8.434 -3.783 -11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.162 -3.942 -13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.746 -3.690 -12.072 1.00 0.00 H new ATOM 1875 N ASP A 119 7.883 -6.539 -13.434 1.00 0.00 N ATOM 1876 CA ASP A 119 7.030 -7.150 -14.442 1.00 0.00 C ATOM 1877 C ASP A 119 5.581 -7.153 -13.963 1.00 0.00 C ATOM 1878 O ASP A 119 4.648 -7.244 -14.759 1.00 0.00 O ATOM 1879 CB ASP A 119 7.489 -8.579 -14.739 1.00 0.00 C ATOM 1880 CG ASP A 119 7.563 -9.434 -13.489 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.526 -10.015 -13.104 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.658 -9.523 -12.895 1.00 0.00 O ATOM 0 H ASP A 119 8.409 -7.203 -12.866 1.00 0.00 H new ATOM 0 HA ASP A 119 7.101 -6.567 -15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.802 -9.038 -15.450 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.469 -8.551 -15.215 1.00 0.00 H new ATOM 1887 N GLN A 120 5.408 -7.046 -12.647 1.00 0.00 N ATOM 1888 CA GLN A 120 4.086 -7.028 -12.039 1.00 0.00 C ATOM 1889 C GLN A 120 3.656 -5.605 -11.687 1.00 0.00 C ATOM 1890 O GLN A 120 2.503 -5.371 -11.324 1.00 0.00 O ATOM 1891 CB GLN A 120 4.072 -7.894 -10.781 1.00 0.00 C ATOM 1892 CG GLN A 120 4.480 -9.339 -11.026 1.00 0.00 C ATOM 1893 CD GLN A 120 3.925 -10.290 -9.982 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.593 -11.435 -10.285 1.00 0.00 O ATOM 1895 NE2 GLN A 120 3.822 -9.819 -8.742 1.00 0.00 N ATOM 0 H GLN A 120 6.176 -6.970 -11.980 1.00 0.00 H new ATOM 0 HA GLN A 120 3.380 -7.430 -12.766 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.744 -7.457 -10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.071 -7.877 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.134 -9.647 -12.013 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.568 -9.409 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.109 -8.863 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.456 -10.414 -7.999 1.00 0.00 H new ATOM 1904 N LEU A 121 4.585 -4.659 -11.793 1.00 0.00 N ATOM 1905 CA LEU A 121 4.293 -3.264 -11.481 1.00 0.00 C ATOM 1906 C LEU A 121 3.107 -2.765 -12.295 1.00 0.00 C ATOM 1907 O LEU A 121 3.265 -2.290 -13.420 1.00 0.00 O ATOM 1908 CB LEU A 121 5.520 -2.389 -11.746 1.00 0.00 C ATOM 1909 CG LEU A 121 6.589 -2.435 -10.653 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.804 -1.605 -11.053 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.017 -1.951 -9.328 1.00 0.00 C ATOM 0 H LEU A 121 5.545 -4.833 -12.092 1.00 0.00 H new ATOM 0 HA LEU A 121 4.037 -3.199 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.971 -2.697 -12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.193 -1.357 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 121 6.911 -3.469 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.552 -1.651 -10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.227 -2.001 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.502 -0.569 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.791 -1.990 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.666 -0.925 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.184 -2.591 -9.036 1.00 0.00 H new ATOM 1923 N LYS A 122 1.918 -2.886 -11.720 1.00 0.00 N ATOM 1924 CA LYS A 122 0.698 -2.459 -12.390 1.00 0.00 C ATOM 1925 C LYS A 122 0.056 -1.281 -11.661 1.00 0.00 C ATOM 1926 O LYS A 122 -0.807 -1.465 -10.805 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.287 -3.626 -12.474 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.220 -4.380 -13.792 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.753 -3.543 -14.944 1.00 0.00 C ATOM 1930 CE LYS A 122 0.005 -3.822 -16.231 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.436 -2.932 -17.339 1.00 0.00 N ATOM 0 H LYS A 122 1.773 -3.277 -10.789 1.00 0.00 H new ATOM 0 HA LYS A 122 0.957 -2.134 -13.398 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.088 -4.319 -11.657 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.299 -3.248 -12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.812 -4.666 -13.996 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.797 -5.302 -13.714 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.812 -3.756 -15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.672 -2.485 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.073 -3.687 -16.060 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.142 -4.862 -16.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.105 -3.154 -18.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.450 -3.079 -17.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.272 -1.940 -17.074 1.00 0.00 H new ATOM 1945 N VAL A 123 0.481 -0.071 -12.010 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.058 1.135 -11.389 1.00 0.00 C ATOM 1947 C VAL A 123 -1.097 1.797 -12.289 1.00 0.00 C ATOM 1948 O VAL A 123 -0.844 2.032 -13.471 1.00 0.00 O ATOM 1949 CB VAL A 123 1.056 2.152 -11.068 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.740 2.627 -12.343 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.496 3.330 -10.285 1.00 0.00 C ATOM 0 H VAL A 123 1.195 0.101 -12.718 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.532 0.827 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 123 1.803 1.655 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.522 3.344 -12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.182 1.774 -12.858 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.007 3.104 -12.993 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.297 4.037 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.275 3.826 -10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.064 2.973 -9.350 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.269 2.089 -11.730 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.337 2.717 -12.499 1.00 0.00 C ATOM 1963 C HIS A 124 -3.982 3.864 -11.730 1.00 0.00 C ATOM 1964 O HIS A 124 -4.984 3.676 -11.043 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.397 1.679 -12.865 1.00 0.00 C ATOM 1966 CG HIS A 124 -3.821 0.408 -13.401 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -3.954 0.017 -14.715 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.099 -0.563 -12.792 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.342 -1.139 -14.893 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -2.814 -1.514 -13.743 1.00 0.00 N ATOM 0 H HIS A 124 -2.501 1.902 -10.755 1.00 0.00 H new ATOM 0 HA HIS A 124 -2.896 3.127 -13.408 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.995 1.454 -11.982 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.072 2.105 -13.607 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.449 0.539 -15.438 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.803 -0.586 -11.754 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.283 -1.686 -15.823 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.408 5.055 -11.859 1.00 0.00 N ATOM 1980 CA GLY A 125 -3.953 6.215 -11.178 1.00 0.00 C ATOM 1981 C GLY A 125 -5.387 6.489 -11.583 1.00 0.00 C ATOM 1982 O GLY A 125 -5.668 6.754 -12.751 1.00 0.00 O ATOM 0 H GLY A 125 -2.577 5.238 -12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.904 6.059 -10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.340 7.088 -11.402 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.299 6.417 -10.617 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.717 6.651 -10.880 1.00 0.00 C ATOM 1988 C PHE A 126 -7.926 7.912 -11.722 1.00 0.00 C ATOM 1989 O PHE A 126 -7.182 8.892 -11.511 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.490 6.750 -9.557 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.705 8.157 -9.070 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.644 8.915 -8.603 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.971 8.720 -9.088 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.842 10.209 -8.161 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.175 10.013 -8.648 1.00 0.00 C ATOM 1996 CZ PHE A 126 -9.110 10.759 -8.184 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.829 7.904 -12.583 1.00 0.00 O ATOM 0 H PHE A 126 -6.082 6.198 -9.645 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.101 5.805 -11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.460 6.268 -9.679 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -7.951 6.191 -8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.651 8.490 -8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.808 8.141 -9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.007 10.790 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -11.167 10.440 -8.667 1.00 0.00 H new ATOM 0 HZ PHE A 126 -9.267 11.770 -7.840 1.00 0.00 H new