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 -136:sc= -0.309 USER MOD Set 1.2: A 102 GLN : amide:sc= -6.53! C(o=-6.8!,f=-6.7!) USER MOD Set 2.1: A 50 GLN : amide:sc=-0.00818 K(o=0.32,f=-4.4!) USER MOD Set 2.2: A 56 THR OG1 : rot 158:sc= 0.328 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.284 K(o=-6.9,f=-9.9) USER MOD Set 3.2: A 85 THR OG1 : rot -142:sc= -1.49 USER MOD Set 3.3: A 97 GLN : amide:sc= -5.11! C(o=-6.9!,f=-9.4!) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -4.41! C(o=-11!,f=-13!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -6.46! C(o=-11!,f=-13!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -112:sc= -0.867 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 61 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.3) 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+ -171:sc= 0 (180deg=-0.0601) 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+ 148:sc= -0.262 (180deg=-1.15!) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= -0.218 (180deg=-1.67!) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.13 F(o=-3.2!,f=-1.1) USER MOD Single : A 89 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.5 K(o=-0.5,f=-1) USER MOD Single : A 107 CYS SG : rot -19:sc= 0.223 USER MOD Single : A 108 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.1! F(o=-3.8,f=-3.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.154 -12.575 -12.988 1.00 0.00 N ATOM 607 CA ASP A 42 0.723 -12.199 -11.645 1.00 0.00 C ATOM 608 C ASP A 42 1.128 -10.764 -11.324 1.00 0.00 C ATOM 609 O ASP A 42 1.906 -10.515 -10.405 1.00 0.00 O ATOM 610 CB ASP A 42 1.316 -13.162 -10.609 1.00 0.00 C ATOM 611 CG ASP A 42 0.254 -14.001 -9.926 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.312 -14.896 -10.588 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.011 -13.762 -8.729 1.00 0.00 O ATOM 0 HA ASP A 42 -0.364 -12.263 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.036 -13.819 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.863 -12.592 -9.858 1.00 0.00 H new ATOM 618 N TYR A 43 0.595 -9.821 -12.091 1.00 0.00 N ATOM 619 CA TYR A 43 0.905 -8.414 -11.887 1.00 0.00 C ATOM 620 C TYR A 43 0.285 -7.898 -10.594 1.00 0.00 C ATOM 621 O TYR A 43 -0.617 -8.519 -10.032 1.00 0.00 O ATOM 622 CB TYR A 43 0.412 -7.580 -13.071 1.00 0.00 C ATOM 623 CG TYR A 43 1.076 -7.921 -14.390 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.284 -8.611 -14.434 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.490 -7.551 -15.594 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.886 -8.917 -15.639 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.086 -7.855 -16.802 1.00 0.00 C ATOM 628 CZ TYR A 43 2.284 -8.538 -16.819 1.00 0.00 C ATOM 629 OH TYR A 43 2.882 -8.842 -18.021 1.00 0.00 O ATOM 0 H TYR A 43 -0.052 -10.005 -12.858 1.00 0.00 H new ATOM 0 HA TYR A 43 1.988 -8.318 -11.811 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.665 -7.716 -13.173 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.581 -6.525 -12.854 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.758 -8.912 -13.511 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.448 -7.016 -15.585 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.825 -9.451 -15.656 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.616 -7.559 -17.729 1.00 0.00 H new ATOM 0 HH TYR A 43 2.328 -8.505 -18.756 1.00 0.00 H new ATOM 639 N ILE A 44 0.774 -6.754 -10.131 1.00 0.00 N ATOM 640 CA ILE A 44 0.273 -6.141 -8.910 1.00 0.00 C ATOM 641 C ILE A 44 -0.473 -4.847 -9.233 1.00 0.00 C ATOM 642 O ILE A 44 0.138 -3.820 -9.526 1.00 0.00 O ATOM 643 CB ILE A 44 1.421 -5.857 -7.918 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.127 -7.162 -7.540 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.896 -5.159 -6.671 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.200 -8.212 -6.975 1.00 0.00 C ATOM 0 H ILE A 44 1.521 -6.231 -10.587 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.417 -6.842 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 44 2.139 -5.196 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.623 -7.565 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.905 -6.945 -6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.722 -4.969 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.432 -4.214 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.158 -5.795 -6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.771 -9.108 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.723 -7.829 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.437 -8.458 -7.713 1.00 0.00 H new ATOM 658 N HIS A 45 -1.800 -4.920 -9.200 1.00 0.00 N ATOM 659 CA HIS A 45 -2.649 -3.773 -9.515 1.00 0.00 C ATOM 660 C HIS A 45 -2.771 -2.802 -8.344 1.00 0.00 C ATOM 661 O HIS A 45 -3.328 -3.135 -7.298 1.00 0.00 O ATOM 662 CB HIS A 45 -4.040 -4.258 -9.930 1.00 0.00 C ATOM 663 CG HIS A 45 -4.433 -3.843 -11.313 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.171 -4.606 -12.432 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.077 -2.739 -11.756 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.636 -3.987 -13.503 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.190 -2.853 -13.119 1.00 0.00 N ATOM 0 H HIS A 45 -2.314 -5.767 -8.957 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.178 -3.235 -10.338 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.071 -5.346 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.775 -3.875 -9.222 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.436 -1.920 -11.150 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.573 -4.348 -14.519 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.631 -2.171 -13.736 1.00 0.00 H new ATOM 676 N ILE A 46 -2.263 -1.587 -8.543 1.00 0.00 N ATOM 677 CA ILE A 46 -2.333 -0.546 -7.517 1.00 0.00 C ATOM 678 C ILE A 46 -3.770 -0.007 -7.399 1.00 0.00 C ATOM 679 O ILE A 46 -4.590 -0.591 -6.691 1.00 0.00 O ATOM 680 CB ILE A 46 -1.351 0.611 -7.820 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.086 0.084 -7.907 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.461 1.703 -6.766 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.663 -0.357 -6.575 1.00 0.00 C ATOM 0 H ILE A 46 -1.799 -1.299 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.042 -0.994 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.618 1.044 -8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.112 -0.758 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.723 0.862 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.762 2.506 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.477 2.098 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.223 1.288 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.682 -0.716 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.671 0.487 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.051 -1.158 -6.161 1.00 0.00 H new ATOM 695 N ARG A 47 -4.079 1.092 -8.109 1.00 0.00 N ATOM 696 CA ARG A 47 -5.421 1.685 -8.099 1.00 0.00 C ATOM 697 C ARG A 47 -5.611 2.667 -6.945 1.00 0.00 C ATOM 698 O ARG A 47 -5.388 2.334 -5.781 1.00 0.00 O ATOM 699 CB ARG A 47 -6.503 0.600 -8.038 1.00 0.00 C ATOM 700 CG ARG A 47 -7.743 0.931 -8.853 1.00 0.00 C ATOM 701 CD ARG A 47 -8.826 1.562 -7.992 1.00 0.00 C ATOM 702 NE ARG A 47 -9.479 2.682 -8.665 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.607 3.247 -8.239 1.00 0.00 C ATOM 704 NH1 ARG A 47 -11.210 2.800 -7.144 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.133 4.263 -8.910 1.00 0.00 N ATOM 0 H ARG A 47 -3.411 1.587 -8.699 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.521 2.239 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.084 -0.340 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.792 0.445 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.477 1.612 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.128 0.022 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.571 0.808 -7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.389 1.907 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.046 3.053 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.809 2.019 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.074 3.237 -6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.673 4.611 -9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.997 4.696 -8.584 1.00 0.00 H new ATOM 719 N ILE A 48 -6.043 3.877 -7.290 1.00 0.00 N ATOM 720 CA ILE A 48 -6.292 4.927 -6.306 1.00 0.00 C ATOM 721 C ILE A 48 -7.798 5.162 -6.158 1.00 0.00 C ATOM 722 O ILE A 48 -8.574 4.836 -7.055 1.00 0.00 O ATOM 723 CB ILE A 48 -5.594 6.255 -6.715 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.146 6.273 -6.227 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.340 7.471 -6.177 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.405 7.534 -6.613 1.00 0.00 C ATOM 0 H ILE A 48 -6.229 4.156 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.879 4.599 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.605 6.307 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.133 6.169 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.620 5.410 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.822 8.380 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.355 7.480 -6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.377 7.423 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.383 7.485 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.388 7.628 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.909 8.399 -6.182 1.00 0.00 H new ATOM 738 N GLN A 49 -8.202 5.740 -5.031 1.00 0.00 N ATOM 739 CA GLN A 49 -9.610 6.027 -4.782 1.00 0.00 C ATOM 740 C GLN A 49 -9.766 7.358 -4.052 1.00 0.00 C ATOM 741 O GLN A 49 -9.541 7.448 -2.845 1.00 0.00 O ATOM 742 CB GLN A 49 -10.261 4.897 -3.980 1.00 0.00 C ATOM 743 CG GLN A 49 -9.757 4.786 -2.550 1.00 0.00 C ATOM 744 CD GLN A 49 -9.886 3.380 -1.997 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.888 2.718 -1.712 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.121 2.917 -1.842 1.00 0.00 N ATOM 0 H GLN A 49 -7.575 6.019 -4.276 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.117 6.100 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.340 5.051 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.082 3.952 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.712 5.094 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.316 5.475 -1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.919 3.501 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.271 1.978 -1.474 1.00 0.00 H new ATOM 755 N GLN A 50 -10.144 8.395 -4.795 1.00 0.00 N ATOM 756 CA GLN A 50 -10.319 9.722 -4.217 1.00 0.00 C ATOM 757 C GLN A 50 -11.794 10.062 -4.038 1.00 0.00 C ATOM 758 O GLN A 50 -12.566 10.050 -4.998 1.00 0.00 O ATOM 759 CB GLN A 50 -9.640 10.779 -5.093 1.00 0.00 C ATOM 760 CG GLN A 50 -8.800 11.766 -4.302 1.00 0.00 C ATOM 761 CD GLN A 50 -8.125 12.804 -5.176 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.725 13.331 -6.112 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.868 13.103 -4.869 1.00 0.00 N ATOM 0 H GLN A 50 -10.334 8.341 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.851 9.718 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.007 10.280 -5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.403 11.325 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.433 12.270 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.040 11.221 -3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.411 12.640 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.360 13.796 -5.419 1.00 0.00 H new ATOM 772 N ARG A 51 -12.176 10.375 -2.804 1.00 0.00 N ATOM 773 CA ARG A 51 -13.557 10.731 -2.499 1.00 0.00 C ATOM 774 C ARG A 51 -13.774 12.226 -2.703 1.00 0.00 C ATOM 775 O ARG A 51 -13.154 13.051 -2.032 1.00 0.00 O ATOM 776 CB ARG A 51 -13.906 10.346 -1.059 1.00 0.00 C ATOM 777 CG ARG A 51 -13.389 8.976 -0.647 1.00 0.00 C ATOM 778 CD ARG A 51 -14.370 7.875 -1.018 1.00 0.00 C ATOM 779 NE ARG A 51 -15.709 8.135 -0.492 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.805 7.509 -0.915 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.726 6.587 -1.868 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.983 7.806 -0.384 1.00 0.00 N ATOM 0 H ARG A 51 -11.549 10.389 -2.000 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.210 10.181 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.497 11.097 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.989 10.366 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.430 8.788 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.213 8.961 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.418 7.783 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.008 6.922 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.809 8.837 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.822 6.355 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.569 6.111 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.049 8.513 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.824 7.327 -0.707 1.00 0.00 H new ATOM 796 N ASN A 52 -14.649 12.570 -3.641 1.00 0.00 N ATOM 797 CA ASN A 52 -14.935 13.968 -3.940 1.00 0.00 C ATOM 798 C ASN A 52 -13.695 14.668 -4.490 1.00 0.00 C ATOM 799 O ASN A 52 -13.590 15.894 -4.448 1.00 0.00 O ATOM 800 CB ASN A 52 -15.434 14.693 -2.688 1.00 0.00 C ATOM 801 CG ASN A 52 -16.421 15.798 -3.013 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.601 15.541 -3.252 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.942 17.036 -3.023 1.00 0.00 N ATOM 0 H ASN A 52 -15.172 11.901 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.717 13.998 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.906 13.973 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.583 15.115 -2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.559 17.820 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.957 17.203 -2.819 1.00 0.00 H new ATOM 810 N GLY A 53 -12.759 13.878 -5.010 1.00 0.00 N ATOM 811 CA GLY A 53 -11.540 14.434 -5.568 1.00 0.00 C ATOM 812 C GLY A 53 -10.599 14.978 -4.510 1.00 0.00 C ATOM 813 O GLY A 53 -9.974 16.019 -4.709 1.00 0.00 O ATOM 0 H GLY A 53 -12.824 12.861 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.026 13.664 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.797 15.233 -6.264 1.00 0.00 H new ATOM 817 N ARG A 54 -10.489 14.275 -3.385 1.00 0.00 N ATOM 818 CA ARG A 54 -9.607 14.707 -2.306 1.00 0.00 C ATOM 819 C ARG A 54 -9.114 13.523 -1.478 1.00 0.00 C ATOM 820 O ARG A 54 -7.920 13.224 -1.462 1.00 0.00 O ATOM 821 CB ARG A 54 -10.323 15.712 -1.401 1.00 0.00 C ATOM 822 CG ARG A 54 -10.999 16.841 -2.160 1.00 0.00 C ATOM 823 CD ARG A 54 -11.436 17.956 -1.225 1.00 0.00 C ATOM 824 NE ARG A 54 -10.321 18.823 -0.848 1.00 0.00 N ATOM 825 CZ ARG A 54 -9.713 19.655 -1.689 1.00 0.00 C ATOM 826 NH1 ARG A 54 -10.112 19.742 -2.953 1.00 0.00 N ATOM 827 NH2 ARG A 54 -8.703 20.403 -1.267 1.00 0.00 N ATOM 0 H ARG A 54 -10.996 13.410 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.741 15.187 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.071 15.186 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.602 16.136 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.314 17.240 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.865 16.453 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.211 18.551 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.879 17.524 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.990 18.788 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.889 19.169 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.642 20.382 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.392 20.340 -0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.237 21.041 -1.912 1.00 0.00 H new ATOM 841 N LYS A 55 -10.034 12.857 -0.785 1.00 0.00 N ATOM 842 CA LYS A 55 -9.683 11.710 0.049 1.00 0.00 C ATOM 843 C LYS A 55 -9.127 10.572 -0.800 1.00 0.00 C ATOM 844 O LYS A 55 -9.818 9.591 -1.075 1.00 0.00 O ATOM 845 CB LYS A 55 -10.904 11.229 0.834 1.00 0.00 C ATOM 846 CG LYS A 55 -11.619 12.337 1.592 1.00 0.00 C ATOM 847 CD LYS A 55 -10.716 12.973 2.637 1.00 0.00 C ATOM 848 CE LYS A 55 -10.814 14.490 2.611 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.244 15.106 3.841 1.00 0.00 N ATOM 0 H LYS A 55 -11.027 13.091 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.912 12.025 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.607 10.761 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.591 10.461 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.957 13.099 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.508 11.933 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.989 12.607 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.684 12.671 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.288 14.873 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.858 14.784 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.331 16.141 3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.762 14.761 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.240 14.847 3.926 1.00 0.00 H new ATOM 863 N THR A 56 -7.871 10.714 -1.215 1.00 0.00 N ATOM 864 CA THR A 56 -7.213 9.710 -2.039 1.00 0.00 C ATOM 865 C THR A 56 -6.738 8.529 -1.197 1.00 0.00 C ATOM 866 O THR A 56 -6.278 8.703 -0.069 1.00 0.00 O ATOM 867 CB THR A 56 -6.032 10.340 -2.781 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.082 11.754 -2.695 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.982 9.975 -4.247 1.00 0.00 C ATOM 0 H THR A 56 -7.288 11.520 -0.991 1.00 0.00 H new ATOM 0 HA THR A 56 -7.936 9.335 -2.764 1.00 0.00 H new ATOM 0 HB THR A 56 -5.142 9.944 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.187 12.123 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.121 10.455 -4.712 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.894 8.893 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.895 10.313 -4.737 1.00 0.00 H new ATOM 877 N LEU A 57 -6.854 7.329 -1.756 1.00 0.00 N ATOM 878 CA LEU A 57 -6.437 6.116 -1.060 1.00 0.00 C ATOM 879 C LEU A 57 -5.896 5.081 -2.046 1.00 0.00 C ATOM 880 O LEU A 57 -6.660 4.346 -2.671 1.00 0.00 O ATOM 881 CB LEU A 57 -7.611 5.526 -0.275 1.00 0.00 C ATOM 882 CG LEU A 57 -7.491 5.636 1.246 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.714 7.070 1.698 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.480 4.700 1.926 1.00 0.00 C ATOM 0 H LEU A 57 -7.233 7.170 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.640 6.380 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.527 6.026 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.715 4.474 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.482 5.340 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.625 7.128 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.967 7.717 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.710 7.395 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.382 4.790 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.495 4.966 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.273 3.672 1.628 1.00 0.00 H new ATOM 896 N THR A 58 -4.575 5.029 -2.179 1.00 0.00 N ATOM 897 CA THR A 58 -3.936 4.084 -3.090 1.00 0.00 C ATOM 898 C THR A 58 -4.017 2.661 -2.547 1.00 0.00 C ATOM 899 O THR A 58 -3.599 2.392 -1.422 1.00 0.00 O ATOM 900 CB THR A 58 -2.475 4.476 -3.311 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.378 5.797 -3.813 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.750 3.563 -4.277 1.00 0.00 C ATOM 0 H THR A 58 -3.926 5.629 -1.669 1.00 0.00 H new ATOM 0 HA THR A 58 -4.466 4.117 -4.042 1.00 0.00 H new ATOM 0 HB THR A 58 -2.003 4.392 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.049 5.773 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.718 3.897 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.762 2.543 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.247 3.591 -5.247 1.00 0.00 H new ATOM 910 N THR A 59 -4.557 1.750 -3.352 1.00 0.00 N ATOM 911 CA THR A 59 -4.687 0.356 -2.940 1.00 0.00 C ATOM 912 C THR A 59 -3.674 -0.529 -3.657 1.00 0.00 C ATOM 913 O THR A 59 -3.158 -0.172 -4.715 1.00 0.00 O ATOM 914 CB THR A 59 -6.104 -0.157 -3.213 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.762 0.663 -4.163 1.00 0.00 O ATOM 916 CG2 THR A 59 -6.969 -0.208 -1.973 1.00 0.00 C ATOM 0 H THR A 59 -4.910 1.950 -4.288 1.00 0.00 H new ATOM 0 HA THR A 59 -4.490 0.310 -1.869 1.00 0.00 H new ATOM 0 HB THR A 59 -5.976 -1.171 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.665 0.317 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.959 -0.580 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.514 -0.873 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.058 0.793 -1.550 1.00 0.00 H new ATOM 924 N VAL A 60 -3.403 -1.690 -3.072 1.00 0.00 N ATOM 925 CA VAL A 60 -2.458 -2.638 -3.651 1.00 0.00 C ATOM 926 C VAL A 60 -3.102 -4.011 -3.824 1.00 0.00 C ATOM 927 O VAL A 60 -3.581 -4.608 -2.857 1.00 0.00 O ATOM 928 CB VAL A 60 -1.191 -2.774 -2.785 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.227 -3.790 -3.385 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.515 -1.423 -2.629 1.00 0.00 C ATOM 0 H VAL A 60 -3.825 -1.998 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.172 -2.248 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.486 -3.133 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.659 -3.867 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.715 -4.763 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.066 -3.468 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.379 -1.532 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.236 -1.040 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.202 -0.726 -2.149 1.00 0.00 H new ATOM 940 N GLN A 61 -3.110 -4.501 -5.060 1.00 0.00 N ATOM 941 CA GLN A 61 -3.695 -5.800 -5.368 1.00 0.00 C ATOM 942 C GLN A 61 -2.659 -6.734 -5.983 1.00 0.00 C ATOM 943 O GLN A 61 -1.845 -6.319 -6.806 1.00 0.00 O ATOM 944 CB GLN A 61 -4.878 -5.637 -6.324 1.00 0.00 C ATOM 945 CG GLN A 61 -6.046 -6.556 -6.008 1.00 0.00 C ATOM 946 CD GLN A 61 -6.392 -7.486 -7.154 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.673 -8.666 -6.949 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.370 -6.957 -8.371 1.00 0.00 N ATOM 0 H GLN A 61 -2.716 -4.016 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.046 -6.240 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.221 -4.603 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.541 -5.829 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.807 -7.149 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.919 -5.953 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.131 -5.973 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.592 -7.534 -9.182 1.00 0.00 H new ATOM 957 N GLY A 62 -2.700 -7.999 -5.579 1.00 0.00 N ATOM 958 CA GLY A 62 -1.764 -8.977 -6.098 1.00 0.00 C ATOM 959 C GLY A 62 -0.775 -9.442 -5.048 1.00 0.00 C ATOM 960 O GLY A 62 -0.248 -10.551 -5.127 1.00 0.00 O ATOM 0 H GLY A 62 -3.367 -8.365 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.315 -9.836 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.221 -8.546 -6.939 1.00 0.00 H new ATOM 964 N ILE A 63 -0.523 -8.588 -4.061 1.00 0.00 N ATOM 965 CA ILE A 63 0.407 -8.910 -2.987 1.00 0.00 C ATOM 966 C ILE A 63 -0.124 -10.053 -2.126 1.00 0.00 C ATOM 967 O ILE A 63 -1.331 -10.190 -1.930 1.00 0.00 O ATOM 968 CB ILE A 63 0.688 -7.665 -2.110 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.466 -6.609 -2.910 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.449 -8.042 -0.845 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.508 -7.184 -3.846 1.00 0.00 C ATOM 0 H ILE A 63 -0.952 -7.666 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 63 1.343 -9.231 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.271 -7.242 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.760 -6.016 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.956 -5.929 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.632 -7.147 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.859 -8.751 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.401 -8.498 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.011 -6.373 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.239 -7.753 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.025 -7.841 -4.569 1.00 0.00 H new ATOM 983 N ALA A 64 0.792 -10.878 -1.626 1.00 0.00 N ATOM 984 CA ALA A 64 0.427 -12.018 -0.798 1.00 0.00 C ATOM 985 C ALA A 64 0.349 -11.638 0.675 1.00 0.00 C ATOM 986 O ALA A 64 1.246 -10.982 1.206 1.00 0.00 O ATOM 987 CB ALA A 64 1.426 -13.148 -0.997 1.00 0.00 C ATOM 0 H ALA A 64 1.795 -10.776 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.563 -12.353 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.145 -13.997 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.428 -13.452 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.422 -12.806 -0.717 1.00 0.00 H new ATOM 993 N ASP A 65 -0.723 -12.062 1.332 1.00 0.00 N ATOM 994 CA ASP A 65 -0.912 -11.777 2.749 1.00 0.00 C ATOM 995 C ASP A 65 0.222 -12.379 3.574 1.00 0.00 C ATOM 996 O ASP A 65 0.471 -11.959 4.704 1.00 0.00 O ATOM 997 CB ASP A 65 -2.257 -12.328 3.227 1.00 0.00 C ATOM 998 CG ASP A 65 -2.459 -13.780 2.838 1.00 0.00 C ATOM 999 OD1 ASP A 65 -1.588 -14.611 3.172 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.486 -14.085 2.198 1.00 0.00 O ATOM 0 H ASP A 65 -1.475 -12.604 0.907 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.905 -10.695 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.321 -12.233 4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.063 -11.727 2.806 1.00 0.00 H new ATOM 1005 N ASP A 66 0.910 -13.364 2.999 1.00 0.00 N ATOM 1006 CA ASP A 66 2.020 -14.020 3.678 1.00 0.00 C ATOM 1007 C ASP A 66 3.161 -13.039 3.923 1.00 0.00 C ATOM 1008 O ASP A 66 3.987 -13.242 4.813 1.00 0.00 O ATOM 1009 CB ASP A 66 2.520 -15.209 2.854 1.00 0.00 C ATOM 1010 CG ASP A 66 3.556 -16.030 3.594 1.00 0.00 C ATOM 1011 OD1 ASP A 66 3.555 -16.001 4.842 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.369 -16.702 2.924 1.00 0.00 O ATOM 0 H ASP A 66 0.716 -13.724 2.064 1.00 0.00 H new ATOM 0 HA ASP A 66 1.662 -14.382 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.676 -15.846 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.948 -14.846 1.920 1.00 0.00 H new ATOM 1017 N TYR A 67 3.202 -11.971 3.128 1.00 0.00 N ATOM 1018 CA TYR A 67 4.240 -10.956 3.258 1.00 0.00 C ATOM 1019 C TYR A 67 4.326 -10.446 4.695 1.00 0.00 C ATOM 1020 O TYR A 67 3.602 -10.913 5.575 1.00 0.00 O ATOM 1021 CB TYR A 67 3.949 -9.780 2.322 1.00 0.00 C ATOM 1022 CG TYR A 67 4.119 -10.083 0.848 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.256 -11.384 0.377 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.143 -9.048 -0.074 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.413 -11.640 -0.973 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.299 -9.293 -1.423 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.434 -10.591 -1.868 1.00 0.00 C ATOM 1028 OH TYR A 67 4.591 -10.840 -3.213 1.00 0.00 O ATOM 0 H TYR A 67 2.526 -11.788 2.386 1.00 0.00 H new ATOM 0 HA TYR A 67 5.192 -11.413 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.927 -9.442 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.607 -8.952 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.240 -12.207 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.038 -8.030 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.519 -12.656 -1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.315 -8.473 -2.126 1.00 0.00 H new ATOM 0 HH TYR A 67 4.583 -9.993 -3.706 1.00 0.00 H new ATOM 1038 N ASP A 68 5.207 -9.479 4.922 1.00 0.00 N ATOM 1039 CA ASP A 68 5.377 -8.898 6.248 1.00 0.00 C ATOM 1040 C ASP A 68 4.438 -7.711 6.435 1.00 0.00 C ATOM 1041 O ASP A 68 4.794 -6.572 6.134 1.00 0.00 O ATOM 1042 CB ASP A 68 6.827 -8.455 6.454 1.00 0.00 C ATOM 1043 CG ASP A 68 7.750 -9.620 6.755 1.00 0.00 C ATOM 1044 OD1 ASP A 68 7.864 -9.996 7.940 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.359 -10.156 5.805 1.00 0.00 O ATOM 0 H ASP A 68 5.814 -9.081 4.206 1.00 0.00 H new ATOM 0 HA ASP A 68 5.132 -9.659 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.177 -7.939 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.872 -7.738 7.274 1.00 0.00 H new ATOM 1050 N LYS A 69 3.232 -7.989 6.927 1.00 0.00 N ATOM 1051 CA LYS A 69 2.229 -6.948 7.150 1.00 0.00 C ATOM 1052 C LYS A 69 2.843 -5.712 7.802 1.00 0.00 C ATOM 1053 O LYS A 69 2.405 -4.587 7.558 1.00 0.00 O ATOM 1054 CB LYS A 69 1.093 -7.490 8.022 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.236 -7.596 7.291 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.223 -8.463 8.054 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.662 -8.106 7.715 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.431 -9.288 7.239 1.00 0.00 N ATOM 0 H LYS A 69 2.925 -8.928 7.179 1.00 0.00 H new ATOM 0 HA LYS A 69 1.831 -6.654 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.372 -8.475 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.971 -6.842 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.657 -6.600 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.074 -8.015 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.043 -9.512 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.061 -8.343 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.149 -7.687 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.673 -7.333 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.406 -9.002 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.982 -9.673 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.443 -10.016 7.981 1.00 0.00 H new ATOM 1072 N LYS A 70 3.860 -5.928 8.630 1.00 0.00 N ATOM 1073 CA LYS A 70 4.532 -4.831 9.312 1.00 0.00 C ATOM 1074 C LYS A 70 5.495 -4.114 8.371 1.00 0.00 C ATOM 1075 O LYS A 70 5.431 -2.897 8.207 1.00 0.00 O ATOM 1076 CB LYS A 70 5.288 -5.351 10.537 1.00 0.00 C ATOM 1077 CG LYS A 70 4.385 -5.974 11.588 1.00 0.00 C ATOM 1078 CD LYS A 70 5.028 -7.197 12.222 1.00 0.00 C ATOM 1079 CE LYS A 70 5.051 -8.375 11.261 1.00 0.00 C ATOM 1080 NZ LYS A 70 3.700 -8.979 11.091 1.00 0.00 N ATOM 0 H LYS A 70 4.235 -6.852 8.844 1.00 0.00 H new ATOM 0 HA LYS A 70 3.774 -4.119 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.021 -6.091 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.843 -4.528 10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.162 -5.238 12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.436 -6.256 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.046 -6.956 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.480 -7.472 13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.426 -8.046 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.743 -9.132 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.781 -9.866 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.288 -9.177 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.086 -8.317 10.575 1.00 0.00 H new ATOM 1094 N LYS A 71 6.388 -4.879 7.752 1.00 0.00 N ATOM 1095 CA LYS A 71 7.369 -4.320 6.828 1.00 0.00 C ATOM 1096 C LYS A 71 6.710 -3.757 5.565 1.00 0.00 C ATOM 1097 O LYS A 71 7.393 -3.204 4.703 1.00 0.00 O ATOM 1098 CB LYS A 71 8.397 -5.385 6.443 1.00 0.00 C ATOM 1099 CG LYS A 71 9.682 -4.811 5.868 1.00 0.00 C ATOM 1100 CD LYS A 71 10.859 -5.746 6.092 1.00 0.00 C ATOM 1101 CE LYS A 71 11.697 -5.311 7.283 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.517 -6.430 7.825 1.00 0.00 N ATOM 0 H LYS A 71 6.453 -5.890 7.874 1.00 0.00 H new ATOM 0 HA LYS A 71 7.867 -3.497 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.637 -5.981 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.952 -6.060 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.556 -4.632 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.889 -3.846 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.494 -6.760 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.481 -5.770 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.352 -4.492 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.043 -4.928 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.073 -6.092 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.891 -7.202 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.160 -6.779 7.086 1.00 0.00 H new ATOM 1116 N LEU A 72 5.391 -3.902 5.450 1.00 0.00 N ATOM 1117 CA LEU A 72 4.672 -3.406 4.282 1.00 0.00 C ATOM 1118 C LEU A 72 3.946 -2.103 4.587 1.00 0.00 C ATOM 1119 O LEU A 72 4.382 -1.029 4.174 1.00 0.00 O ATOM 1120 CB LEU A 72 3.672 -4.454 3.792 1.00 0.00 C ATOM 1121 CG LEU A 72 4.276 -5.618 2.998 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.763 -5.762 3.296 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.536 -6.911 3.308 1.00 0.00 C ATOM 0 H LEU A 72 4.803 -4.357 6.148 1.00 0.00 H new ATOM 0 HA LEU A 72 5.405 -3.211 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.145 -4.860 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.928 -3.958 3.168 1.00 0.00 H new ATOM 0 HG LEU A 72 4.165 -5.404 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.170 -6.594 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.280 -4.843 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.904 -5.952 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.976 -7.728 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.615 -7.129 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.486 -6.803 3.037 1.00 0.00 H new ATOM 1135 N VAL A 73 2.831 -2.203 5.302 1.00 0.00 N ATOM 1136 CA VAL A 73 2.048 -1.026 5.644 1.00 0.00 C ATOM 1137 C VAL A 73 2.713 -0.229 6.760 1.00 0.00 C ATOM 1138 O VAL A 73 2.785 0.998 6.697 1.00 0.00 O ATOM 1139 CB VAL A 73 0.606 -1.406 6.050 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.539 -1.866 7.500 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.336 -0.239 5.805 1.00 0.00 C ATOM 0 H VAL A 73 2.452 -3.082 5.653 1.00 0.00 H new ATOM 0 HA VAL A 73 1.999 -0.401 4.752 1.00 0.00 H new ATOM 0 HB VAL A 73 0.289 -2.243 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.489 -2.125 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.177 -2.739 7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.881 -1.063 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.348 -0.521 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.014 0.618 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.322 0.024 4.747 1.00 0.00 H new ATOM 1151 N LYS A 74 3.215 -0.929 7.773 1.00 0.00 N ATOM 1152 CA LYS A 74 3.890 -0.267 8.883 1.00 0.00 C ATOM 1153 C LYS A 74 5.127 0.455 8.368 1.00 0.00 C ATOM 1154 O LYS A 74 5.373 1.612 8.707 1.00 0.00 O ATOM 1155 CB LYS A 74 4.277 -1.277 9.964 1.00 0.00 C ATOM 1156 CG LYS A 74 3.987 -0.796 11.377 1.00 0.00 C ATOM 1157 CD LYS A 74 5.022 -1.310 12.364 1.00 0.00 C ATOM 1158 CE LYS A 74 5.122 -0.411 13.585 1.00 0.00 C ATOM 1159 NZ LYS A 74 4.080 -0.734 14.600 1.00 0.00 N ATOM 0 H LYS A 74 3.168 -1.945 7.848 1.00 0.00 H new ATOM 0 HA LYS A 74 3.208 0.458 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.739 -2.209 9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.340 -1.501 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.974 0.294 11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.995 -1.132 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.759 -2.321 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.994 -1.370 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.110 -0.516 14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.020 0.630 13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.182 -0.099 15.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.136 -0.609 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.193 -1.720 14.912 1.00 0.00 H new ATOM 1173 N ALA A 75 5.890 -0.236 7.527 1.00 0.00 N ATOM 1174 CA ALA A 75 7.090 0.339 6.938 1.00 0.00 C ATOM 1175 C ALA A 75 6.721 1.524 6.055 1.00 0.00 C ATOM 1176 O ALA A 75 7.355 2.577 6.115 1.00 0.00 O ATOM 1177 CB ALA A 75 7.845 -0.711 6.137 1.00 0.00 C ATOM 0 H ALA A 75 5.697 -1.195 7.239 1.00 0.00 H new ATOM 0 HA ALA A 75 7.741 0.690 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.740 -0.264 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.131 -1.533 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.206 -1.090 5.340 1.00 0.00 H new ATOM 1183 N PHE A 76 5.681 1.346 5.239 1.00 0.00 N ATOM 1184 CA PHE A 76 5.214 2.408 4.346 1.00 0.00 C ATOM 1185 C PHE A 76 5.105 3.741 5.088 1.00 0.00 C ATOM 1186 O PHE A 76 5.584 4.770 4.612 1.00 0.00 O ATOM 1187 CB PHE A 76 3.850 2.044 3.751 1.00 0.00 C ATOM 1188 CG PHE A 76 3.537 2.782 2.480 1.00 0.00 C ATOM 1189 CD1 PHE A 76 2.892 4.011 2.510 1.00 0.00 C ATOM 1190 CD2 PHE A 76 3.894 2.248 1.253 1.00 0.00 C ATOM 1191 CE1 PHE A 76 2.610 4.688 1.339 1.00 0.00 C ATOM 1192 CE2 PHE A 76 3.617 2.921 0.081 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.975 4.142 0.123 1.00 0.00 C ATOM 0 H PHE A 76 5.147 0.479 5.178 1.00 0.00 H new ATOM 0 HA PHE A 76 5.944 2.512 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.821 0.972 3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.073 2.255 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.608 4.442 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.396 1.292 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.105 5.642 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.902 2.493 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.758 4.670 -0.794 1.00 0.00 H new ATOM 1203 N LYS A 77 4.466 3.712 6.256 1.00 0.00 N ATOM 1204 CA LYS A 77 4.286 4.914 7.065 1.00 0.00 C ATOM 1205 C LYS A 77 5.622 5.468 7.557 1.00 0.00 C ATOM 1206 O LYS A 77 5.698 6.607 8.016 1.00 0.00 O ATOM 1207 CB LYS A 77 3.382 4.617 8.262 1.00 0.00 C ATOM 1208 CG LYS A 77 2.013 4.082 7.873 1.00 0.00 C ATOM 1209 CD LYS A 77 1.734 2.734 8.517 1.00 0.00 C ATOM 1210 CE LYS A 77 1.109 2.893 9.893 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.377 2.963 9.824 1.00 0.00 N ATOM 0 H LYS A 77 4.064 2.868 6.663 1.00 0.00 H new ATOM 0 HA LYS A 77 3.818 5.667 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.876 3.892 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.254 5.529 8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.245 4.795 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.954 3.987 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.067 2.155 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.663 2.170 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.404 2.055 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.493 3.798 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.764 3.071 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.660 3.778 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.746 2.089 9.398 1.00 0.00 H new ATOM 1225 N LYS A 78 6.672 4.661 7.466 1.00 0.00 N ATOM 1226 CA LYS A 78 7.996 5.082 7.908 1.00 0.00 C ATOM 1227 C LYS A 78 8.854 5.540 6.732 1.00 0.00 C ATOM 1228 O LYS A 78 9.844 6.248 6.913 1.00 0.00 O ATOM 1229 CB LYS A 78 8.695 3.936 8.639 1.00 0.00 C ATOM 1230 CG LYS A 78 9.591 4.397 9.778 1.00 0.00 C ATOM 1231 CD LYS A 78 9.472 3.485 10.988 1.00 0.00 C ATOM 1232 CE LYS A 78 10.600 2.465 11.030 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.938 3.118 11.021 1.00 0.00 N ATOM 0 H LYS A 78 6.633 3.713 7.091 1.00 0.00 H new ATOM 0 HA LYS A 78 7.869 5.925 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.941 3.255 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.293 3.371 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.627 4.421 9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.325 5.415 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.487 4.083 11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.513 2.968 10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.501 1.851 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.517 1.796 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.610 2.540 11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.273 3.209 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.866 4.062 11.451 1.00 0.00 H new ATOM 1247 N LYS A 79 8.474 5.125 5.527 1.00 0.00 N ATOM 1248 CA LYS A 79 9.219 5.488 4.326 1.00 0.00 C ATOM 1249 C LYS A 79 8.585 6.675 3.609 1.00 0.00 C ATOM 1250 O LYS A 79 9.284 7.494 3.013 1.00 0.00 O ATOM 1251 CB LYS A 79 9.303 4.293 3.377 1.00 0.00 C ATOM 1252 CG LYS A 79 10.297 4.485 2.243 1.00 0.00 C ATOM 1253 CD LYS A 79 9.802 3.853 0.951 1.00 0.00 C ATOM 1254 CE LYS A 79 10.877 2.995 0.302 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.226 1.814 1.140 1.00 0.00 N ATOM 0 H LYS A 79 7.657 4.539 5.357 1.00 0.00 H new ATOM 0 HA LYS A 79 10.223 5.779 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.581 3.406 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.316 4.104 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.469 5.550 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.255 4.045 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.923 3.242 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.492 4.635 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.531 2.657 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.770 3.597 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.256 1.778 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.755 1.893 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.910 0.945 0.664 1.00 0.00 H new ATOM 1269 N PHE A 80 7.260 6.760 3.658 1.00 0.00 N ATOM 1270 CA PHE A 80 6.544 7.847 2.996 1.00 0.00 C ATOM 1271 C PHE A 80 5.813 8.738 3.998 1.00 0.00 C ATOM 1272 O PHE A 80 5.421 9.857 3.668 1.00 0.00 O ATOM 1273 CB PHE A 80 5.545 7.281 1.986 1.00 0.00 C ATOM 1274 CG PHE A 80 6.122 6.205 1.112 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.737 6.524 -0.087 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.048 4.874 1.490 1.00 0.00 C ATOM 1277 CE1 PHE A 80 7.267 5.536 -0.894 1.00 0.00 C ATOM 1278 CE2 PHE A 80 6.576 3.881 0.688 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.187 4.212 -0.506 1.00 0.00 C ATOM 0 H PHE A 80 6.662 6.094 4.146 1.00 0.00 H new ATOM 0 HA PHE A 80 7.283 8.459 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.685 6.880 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.178 8.092 1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.803 7.557 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.572 4.610 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.743 5.798 -1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.511 2.847 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.601 3.438 -1.135 1.00 0.00 H new ATOM 1289 N ALA A 81 5.623 8.241 5.218 1.00 0.00 N ATOM 1290 CA ALA A 81 4.928 9.005 6.250 1.00 0.00 C ATOM 1291 C ALA A 81 3.440 9.098 5.938 1.00 0.00 C ATOM 1292 O ALA A 81 2.783 10.083 6.275 1.00 0.00 O ATOM 1293 CB ALA A 81 5.532 10.396 6.386 1.00 0.00 C ATOM 0 H ALA A 81 5.939 7.318 5.515 1.00 0.00 H new ATOM 0 HA ALA A 81 5.048 8.484 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.000 10.949 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.584 10.311 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.445 10.925 5.437 1.00 0.00 H new ATOM 1299 N CYS A 82 2.915 8.062 5.290 1.00 0.00 N ATOM 1300 CA CYS A 82 1.503 8.021 4.929 1.00 0.00 C ATOM 1301 C CYS A 82 0.743 7.059 5.833 1.00 0.00 C ATOM 1302 O CYS A 82 1.330 6.419 6.703 1.00 0.00 O ATOM 1303 CB CYS A 82 1.342 7.602 3.466 1.00 0.00 C ATOM 1304 SG CYS A 82 2.281 8.617 2.300 1.00 0.00 S ATOM 0 H CYS A 82 3.447 7.240 5.004 1.00 0.00 H new ATOM 0 HA CYS A 82 1.088 9.020 5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.654 6.563 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.286 7.646 3.201 1.00 0.00 H new ATOM 0 HG CYS A 82 1.534 8.904 1.275 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.565 6.955 5.619 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.398 6.067 6.411 1.00 0.00 C ATOM 1312 C ASN A 83 -1.845 4.881 5.560 1.00 0.00 C ATOM 1313 O ASN A 83 -2.536 5.052 4.556 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.605 6.838 6.964 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.831 5.968 7.166 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.510 5.649 6.072 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.162 5.588 8.290 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.068 7.477 4.902 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.824 5.684 7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.331 7.294 7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.853 7.650 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.609 5.858 9.103 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.989 5.003 8.407 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.438 3.682 5.959 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.802 2.495 5.211 1.00 0.00 C ATOM 1326 C GLY A 84 -2.698 1.559 5.993 1.00 0.00 C ATOM 1327 O GLY A 84 -2.436 1.263 7.158 1.00 0.00 O ATOM 0 H GLY A 84 -0.864 3.511 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.308 2.791 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.896 1.964 4.919 1.00 0.00 H new ATOM 1331 N THR A 85 -3.760 1.092 5.345 1.00 0.00 N ATOM 1332 CA THR A 85 -4.704 0.180 5.982 1.00 0.00 C ATOM 1333 C THR A 85 -4.804 -1.131 5.206 1.00 0.00 C ATOM 1334 O THR A 85 -4.286 -1.246 4.096 1.00 0.00 O ATOM 1335 CB THR A 85 -6.084 0.830 6.090 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.656 1.006 4.806 1.00 0.00 O ATOM 1337 CG2 THR A 85 -6.057 2.181 6.770 1.00 0.00 C ATOM 0 H THR A 85 -3.989 1.330 4.380 1.00 0.00 H new ATOM 0 HA THR A 85 -4.336 -0.039 6.984 1.00 0.00 H new ATOM 0 HB THR A 85 -6.679 0.148 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.141 1.857 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.068 2.587 6.814 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.666 2.071 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.418 2.860 6.205 1.00 0.00 H new ATOM 1345 N VAL A 86 -5.467 -2.118 5.799 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.632 -3.421 5.166 1.00 0.00 C ATOM 1347 C VAL A 86 -7.110 -3.744 4.941 1.00 0.00 C ATOM 1348 O VAL A 86 -7.712 -4.508 5.696 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.988 -4.533 6.017 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -5.641 -4.611 7.391 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -5.068 -5.874 5.301 1.00 0.00 C ATOM 0 H VAL A 86 -5.900 -2.040 6.719 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.131 -3.376 4.199 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.936 -4.286 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.170 -5.403 7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.518 -3.659 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.703 -4.827 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.608 -6.645 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.112 -6.129 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.541 -5.810 4.349 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.691 -3.157 3.899 1.00 0.00 N ATOM 1362 CA ILE A 87 -9.097 -3.383 3.580 1.00 0.00 C ATOM 1363 C ILE A 87 -9.284 -4.645 2.745 1.00 0.00 C ATOM 1364 O ILE A 87 -8.388 -5.052 2.007 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.703 -2.196 2.804 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.936 -1.964 1.499 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.699 -0.938 3.660 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.830 -1.863 0.283 1.00 0.00 C ATOM 0 H ILE A 87 -7.211 -2.522 3.262 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.611 -3.494 4.535 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.737 -2.437 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.352 -1.048 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.228 -2.780 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.130 -0.112 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.289 -1.109 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.675 -0.691 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.219 -1.699 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.395 -2.788 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.521 -1.029 0.408 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.462 -5.249 2.855 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.776 -6.451 2.096 1.00 0.00 C ATOM 1382 C GLU A 88 -11.749 -6.120 0.972 1.00 0.00 C ATOM 1383 O GLU A 88 -12.928 -6.474 1.028 1.00 0.00 O ATOM 1384 CB GLU A 88 -11.368 -7.525 3.008 1.00 0.00 C ATOM 1385 CG GLU A 88 -11.073 -8.937 2.535 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.349 -9.981 3.599 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.754 -9.885 4.693 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -12.161 -10.895 3.339 1.00 0.00 O ATOM 0 H GLU A 88 -11.214 -4.925 3.463 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.853 -6.838 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.973 -7.396 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.447 -7.387 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.677 -9.154 1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.029 -9.003 2.230 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.246 -5.428 -0.043 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.056 -5.027 -1.188 1.00 0.00 C ATOM 1397 C HIS A 89 -12.886 -6.194 -1.722 1.00 0.00 C ATOM 1398 O HIS A 89 -12.408 -7.325 -1.789 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.153 -4.481 -2.293 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.787 -3.397 -3.106 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.157 -3.566 -4.422 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.122 -2.125 -2.783 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.691 -2.447 -4.877 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.683 -1.556 -3.900 1.00 0.00 N ATOM 0 H HIS A 89 -10.272 -5.130 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.745 -4.249 -0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.236 -4.098 -1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.867 -5.299 -2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.975 -1.647 -1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.069 -2.287 -5.876 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.036 -0.601 -3.965 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.145 -5.932 -2.115 1.00 0.00 N ATOM 1414 CA PRO A 90 -15.034 -6.965 -2.651 1.00 0.00 C ATOM 1415 C PRO A 90 -14.716 -7.293 -4.106 1.00 0.00 C ATOM 1416 O PRO A 90 -15.042 -8.373 -4.598 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.414 -6.324 -2.535 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.160 -4.863 -2.675 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.801 -4.610 -2.075 1.00 0.00 C ATOM 0 HA PRO A 90 -14.942 -7.912 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.086 -6.686 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.880 -6.556 -1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.184 -4.563 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.926 -4.284 -2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.243 -3.869 -2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.878 -4.233 -1.055 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.073 -6.348 -4.786 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.701 -6.522 -6.185 1.00 0.00 C ATOM 1429 C GLU A 91 -12.444 -7.378 -6.314 1.00 0.00 C ATOM 1430 O GLU A 91 -12.204 -7.993 -7.352 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.475 -5.158 -6.835 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.452 -4.845 -7.954 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.899 -4.998 -7.526 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.484 -4.004 -7.046 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.447 -6.111 -7.672 1.00 0.00 O ATOM 0 H GLU A 91 -13.798 -5.450 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.516 -7.035 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.552 -4.384 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.460 -5.117 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.286 -3.825 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.255 -5.506 -8.798 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.640 -7.406 -5.254 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.403 -8.177 -5.252 1.00 0.00 C ATOM 1444 C TYR A 92 -10.441 -9.272 -4.189 1.00 0.00 C ATOM 1445 O TYR A 92 -10.143 -10.433 -4.470 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.207 -7.251 -5.016 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.382 -5.878 -5.629 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -9.906 -5.733 -6.907 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.032 -4.730 -4.929 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.076 -4.483 -7.471 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.200 -3.477 -5.486 1.00 0.00 C ATOM 1452 CZ TYR A 92 -9.722 -3.359 -6.757 1.00 0.00 C ATOM 1453 OH TYR A 92 -9.890 -2.113 -7.315 1.00 0.00 O ATOM 0 H TYR A 92 -11.824 -6.903 -4.386 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.297 -8.655 -6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.045 -7.144 -3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.311 -7.714 -5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.185 -6.612 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.622 -4.819 -3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.484 -4.388 -8.466 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.924 -2.594 -4.929 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.593 -1.428 -6.681 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.816 -8.897 -2.970 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.892 -9.863 -1.887 1.00 0.00 C ATOM 1465 C GLY A 93 -9.859 -9.621 -0.803 1.00 0.00 C ATOM 1466 O GLY A 93 -10.000 -10.115 0.315 1.00 0.00 O ATOM 0 H GLY A 93 -11.068 -7.943 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.888 -9.828 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.757 -10.866 -2.292 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.819 -8.861 -1.130 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.763 -8.559 -0.169 1.00 0.00 C ATOM 1472 C GLU A 94 -6.740 -7.602 -0.772 1.00 0.00 C ATOM 1473 O GLU A 94 -5.986 -7.971 -1.672 1.00 0.00 O ATOM 1474 CB GLU A 94 -7.074 -9.848 0.284 1.00 0.00 C ATOM 1475 CG GLU A 94 -7.364 -10.218 1.729 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.942 -11.634 2.064 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -6.870 -12.468 1.137 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.683 -11.911 3.255 1.00 0.00 O ATOM 0 H GLU A 94 -8.684 -8.444 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.217 -8.077 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.392 -10.666 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.997 -9.739 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.846 -9.523 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.431 -10.106 1.922 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.720 -6.370 -0.272 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.790 -5.362 -0.766 1.00 0.00 C ATOM 1487 C VAL A 95 -5.509 -4.303 0.289 1.00 0.00 C ATOM 1488 O VAL A 95 -6.380 -3.959 1.086 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.340 -4.661 -2.020 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.364 -5.615 -3.202 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.727 -4.100 -1.750 1.00 0.00 C ATOM 0 H VAL A 95 -7.336 -6.047 0.474 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.867 -5.886 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.678 -3.832 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.756 -5.099 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.352 -5.963 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.001 -6.468 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.101 -3.607 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.400 -4.911 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.675 -3.378 -0.935 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.292 -3.773 0.277 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.911 -2.734 1.222 1.00 0.00 C ATOM 1503 C ILE A 96 -4.494 -1.398 0.775 1.00 0.00 C ATOM 1504 O ILE A 96 -4.787 -1.209 -0.404 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.372 -2.636 1.363 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.886 -3.617 2.443 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.927 -1.209 1.675 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.543 -2.968 3.770 1.00 0.00 C ATOM 0 H ILE A 96 -3.556 -4.045 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.313 -2.993 2.201 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.920 -2.909 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.658 -4.368 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.006 -4.142 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.841 -1.178 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.242 -0.545 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.380 -0.883 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.210 -3.731 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.747 -2.238 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.425 -2.468 4.169 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.674 -0.480 1.715 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.238 0.824 1.397 1.00 0.00 C ATOM 1522 C GLN A 97 -4.378 1.955 1.951 1.00 0.00 C ATOM 1523 O GLN A 97 -4.514 2.337 3.114 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.660 0.934 1.955 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.708 1.249 0.900 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.055 1.591 1.505 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.151 1.942 2.681 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.108 1.487 0.701 1.00 0.00 N ATOM 0 H GLN A 97 -4.439 -0.613 2.699 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.264 0.918 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.922 -0.003 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.682 1.711 2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.365 2.084 0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.819 0.392 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.983 1.192 -0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.041 1.702 1.052 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.508 2.500 1.110 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.646 3.601 1.515 1.00 0.00 C ATOM 1539 C LEU A 98 -3.399 4.920 1.417 1.00 0.00 C ATOM 1540 O LEU A 98 -4.384 5.026 0.690 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.394 3.650 0.645 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.684 2.310 0.458 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.127 2.310 -0.829 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.206 2.011 1.657 1.00 0.00 C ATOM 0 H LEU A 98 -3.381 2.197 0.144 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.344 3.440 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.667 4.040 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.692 4.358 1.085 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.437 1.525 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.625 1.348 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.536 2.480 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.874 3.103 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.705 1.053 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.953 2.798 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.403 1.968 2.560 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.937 5.922 2.154 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.580 7.232 2.142 1.00 0.00 C ATOM 1558 C GLN A 99 -2.906 8.163 1.140 1.00 0.00 C ATOM 1559 O GLN A 99 -1.688 8.133 0.974 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.549 7.857 3.538 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.930 8.142 4.107 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.285 9.615 4.067 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.990 10.362 5.000 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -5.923 10.042 2.983 1.00 0.00 N ATOM 0 H GLN A 99 -2.123 5.855 2.765 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.618 7.092 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.017 7.188 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.982 8.787 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.674 7.578 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.974 7.789 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.148 9.388 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.188 11.024 2.901 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.709 8.988 0.475 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.175 9.916 -0.504 1.00 0.00 C ATOM 1575 C GLY A 100 -2.843 9.239 -1.819 1.00 0.00 C ATOM 1576 O GLY A 100 -2.910 8.015 -1.927 1.00 0.00 O ATOM 0 H GLY A 100 -4.721 9.030 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.899 10.711 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.277 10.386 -0.103 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.484 10.035 -2.821 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.141 9.497 -4.132 1.00 0.00 C ATOM 1582 C ASP A 101 -0.737 8.900 -4.123 1.00 0.00 C ATOM 1583 O ASP A 101 0.218 9.522 -4.589 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.244 10.584 -5.203 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.494 11.847 -4.823 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.739 11.814 -3.828 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -1.663 12.870 -5.521 1.00 0.00 O ATOM 0 H ASP A 101 -2.423 11.051 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.852 8.705 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.850 10.201 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.294 10.825 -5.371 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.625 7.687 -3.591 1.00 0.00 N ATOM 1593 CA GLN A 102 0.652 6.991 -3.519 1.00 0.00 C ATOM 1594 C GLN A 102 0.891 6.166 -4.781 1.00 0.00 C ATOM 1595 O GLN A 102 1.807 5.350 -4.833 1.00 0.00 O ATOM 1596 CB GLN A 102 0.685 6.081 -2.289 1.00 0.00 C ATOM 1597 CG GLN A 102 1.370 6.700 -1.079 1.00 0.00 C ATOM 1598 CD GLN A 102 1.035 8.167 -0.892 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.906 8.981 -0.582 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.233 8.513 -1.081 1.00 0.00 N ATOM 0 H GLN A 102 -1.409 7.164 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 102 1.444 7.736 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.337 5.816 -2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.197 5.154 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.080 6.150 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.449 6.590 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.922 7.806 -1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.518 9.486 -0.970 1.00 0.00 H new ATOM 1609 N ARG A 103 0.061 6.389 -5.797 1.00 0.00 N ATOM 1610 CA ARG A 103 0.175 5.675 -7.062 1.00 0.00 C ATOM 1611 C ARG A 103 1.628 5.630 -7.533 1.00 0.00 C ATOM 1612 O ARG A 103 2.048 4.683 -8.197 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.712 6.352 -8.115 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.490 5.864 -9.539 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.914 6.911 -10.558 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.497 6.308 -11.755 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.811 5.563 -12.619 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.480 5.327 -12.425 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -1.419 5.054 -13.682 1.00 0.00 N ATOM 0 H ARG A 103 -0.703 7.064 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.160 4.648 -6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.757 6.191 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.536 7.427 -8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.563 5.621 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.054 4.946 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.639 7.587 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.050 7.513 -10.840 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.488 6.467 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.953 5.717 -11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.000 4.755 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.411 5.234 -13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.895 4.483 -14.345 1.00 0.00 H new ATOM 1633 N LYS A 104 2.388 6.662 -7.183 1.00 0.00 N ATOM 1634 CA LYS A 104 3.791 6.742 -7.568 1.00 0.00 C ATOM 1635 C LYS A 104 4.704 6.327 -6.417 1.00 0.00 C ATOM 1636 O LYS A 104 5.854 5.945 -6.635 1.00 0.00 O ATOM 1637 CB LYS A 104 4.132 8.164 -8.014 1.00 0.00 C ATOM 1638 CG LYS A 104 5.248 8.227 -9.044 1.00 0.00 C ATOM 1639 CD LYS A 104 5.783 9.642 -9.197 1.00 0.00 C ATOM 1640 CE LYS A 104 5.088 10.382 -10.331 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.058 10.876 -11.348 1.00 0.00 N ATOM 0 H LYS A 104 2.055 7.454 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 104 3.953 6.053 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.238 8.630 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.420 8.750 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.058 7.561 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.878 7.870 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.642 10.188 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 104 6.856 9.608 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.367 9.719 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.527 11.224 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.545 11.374 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.731 11.529 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.576 10.071 -11.754 1.00 0.00 H new ATOM 1655 N ASN A 105 4.192 6.409 -5.192 1.00 0.00 N ATOM 1656 CA ASN A 105 4.974 6.045 -4.014 1.00 0.00 C ATOM 1657 C ASN A 105 4.898 4.546 -3.738 1.00 0.00 C ATOM 1658 O ASN A 105 5.876 3.937 -3.302 1.00 0.00 O ATOM 1659 CB ASN A 105 4.483 6.823 -2.792 1.00 0.00 C ATOM 1660 CG ASN A 105 5.151 8.179 -2.665 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.360 8.271 -2.457 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.363 9.241 -2.791 1.00 0.00 N ATOM 0 H ASN A 105 3.243 6.723 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 105 6.014 6.302 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.403 6.957 -2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.676 6.240 -1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.756 10.179 -2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.365 9.118 -2.963 1.00 0.00 H new ATOM 1669 N ILE A 106 3.735 3.954 -3.986 1.00 0.00 N ATOM 1670 CA ILE A 106 3.543 2.529 -3.754 1.00 0.00 C ATOM 1671 C ILE A 106 4.417 1.694 -4.686 1.00 0.00 C ATOM 1672 O ILE A 106 5.132 0.799 -4.236 1.00 0.00 O ATOM 1673 CB ILE A 106 2.066 2.121 -3.916 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.870 0.669 -3.479 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.606 2.320 -5.352 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.304 0.404 -2.051 1.00 0.00 C ATOM 0 H ILE A 106 2.913 4.438 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 106 3.842 2.333 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 106 1.457 2.761 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.818 0.405 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.432 0.017 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.560 2.026 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.713 3.370 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.215 1.708 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.137 -0.645 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.363 0.637 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.724 1.030 -1.372 1.00 0.00 H new ATOM 1688 N CYS A 107 4.380 2.002 -5.982 1.00 0.00 N ATOM 1689 CA CYS A 107 5.199 1.283 -6.954 1.00 0.00 C ATOM 1690 C CYS A 107 6.656 1.311 -6.508 1.00 0.00 C ATOM 1691 O CYS A 107 7.415 0.366 -6.733 1.00 0.00 O ATOM 1692 CB CYS A 107 5.062 1.913 -8.341 1.00 0.00 C ATOM 1693 SG CYS A 107 5.620 3.630 -8.428 1.00 0.00 S ATOM 0 H CYS A 107 3.797 2.738 -6.380 1.00 0.00 H new ATOM 0 HA CYS A 107 4.857 0.250 -7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.632 1.320 -9.056 1.00 0.00 H new ATOM 0 HB3 CYS A 107 4.017 1.865 -8.649 1.00 0.00 H new ATOM 0 HG CYS A 107 5.658 4.135 -7.231 1.00 0.00 H new ATOM 1699 N GLN A 108 7.023 2.404 -5.850 1.00 0.00 N ATOM 1700 CA GLN A 108 8.374 2.580 -5.335 1.00 0.00 C ATOM 1701 C GLN A 108 8.607 1.640 -4.162 1.00 0.00 C ATOM 1702 O GLN A 108 9.650 0.998 -4.059 1.00 0.00 O ATOM 1703 CB GLN A 108 8.583 4.024 -4.878 1.00 0.00 C ATOM 1704 CG GLN A 108 9.079 4.948 -5.974 1.00 0.00 C ATOM 1705 CD GLN A 108 10.581 5.153 -5.931 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.077 6.246 -6.203 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.316 4.100 -5.587 1.00 0.00 N ATOM 0 H GLN A 108 6.398 3.187 -5.660 1.00 0.00 H new ATOM 0 HA GLN A 108 9.083 2.351 -6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.642 4.411 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.298 4.035 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.800 4.537 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.582 5.914 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.864 3.212 -5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.332 4.180 -5.541 1.00 0.00 H new ATOM 1716 N PHE A 109 7.617 1.572 -3.282 1.00 0.00 N ATOM 1717 CA PHE A 109 7.685 0.721 -2.106 1.00 0.00 C ATOM 1718 C PHE A 109 7.818 -0.743 -2.504 1.00 0.00 C ATOM 1719 O PHE A 109 8.667 -1.465 -1.981 1.00 0.00 O ATOM 1720 CB PHE A 109 6.431 0.916 -1.255 1.00 0.00 C ATOM 1721 CG PHE A 109 6.487 0.228 0.077 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.462 0.561 1.002 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.560 -0.746 0.403 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.510 -0.067 2.231 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.601 -1.376 1.630 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.578 -1.036 2.545 1.00 0.00 C ATOM 0 H PHE A 109 6.750 2.103 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 109 8.565 1.001 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.274 1.983 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.567 0.546 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.192 1.319 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.796 -1.016 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.275 0.199 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.871 -2.133 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.613 -1.528 3.506 1.00 0.00 H new ATOM 1736 N LEU A 110 6.973 -1.173 -3.433 1.00 0.00 N ATOM 1737 CA LEU A 110 6.990 -2.551 -3.905 1.00 0.00 C ATOM 1738 C LEU A 110 8.356 -2.912 -4.477 1.00 0.00 C ATOM 1739 O LEU A 110 8.770 -4.071 -4.440 1.00 0.00 O ATOM 1740 CB LEU A 110 5.908 -2.755 -4.968 1.00 0.00 C ATOM 1741 CG LEU A 110 4.504 -3.043 -4.427 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.170 -2.117 -3.267 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.470 -2.901 -5.534 1.00 0.00 C ATOM 0 H LEU A 110 6.266 -0.585 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 110 6.788 -3.206 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.863 -1.863 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.207 -3.581 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 110 4.484 -4.069 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.168 -2.341 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.892 -2.265 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.210 -1.081 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.478 -3.109 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.497 -1.885 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.694 -3.607 -6.334 1.00 0.00 H new ATOM 1755 N VAL A 111 9.052 -1.912 -5.005 1.00 0.00 N ATOM 1756 CA VAL A 111 10.371 -2.124 -5.586 1.00 0.00 C ATOM 1757 C VAL A 111 11.476 -1.825 -4.575 1.00 0.00 C ATOM 1758 O VAL A 111 12.586 -2.346 -4.683 1.00 0.00 O ATOM 1759 CB VAL A 111 10.576 -1.244 -6.833 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.932 -1.512 -7.469 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.455 -1.473 -7.836 1.00 0.00 C ATOM 0 H VAL A 111 8.724 -0.947 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 111 10.427 -3.174 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 111 10.551 -0.200 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.053 -0.879 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.721 -1.291 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.994 -2.559 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.615 -0.843 -8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.446 -2.520 -8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.499 -1.220 -7.377 1.00 0.00 H new ATOM 1771 N GLU A 112 11.169 -0.979 -3.596 1.00 0.00 N ATOM 1772 CA GLU A 112 12.139 -0.610 -2.572 1.00 0.00 C ATOM 1773 C GLU A 112 12.293 -1.719 -1.536 1.00 0.00 C ATOM 1774 O GLU A 112 13.400 -2.005 -1.081 1.00 0.00 O ATOM 1775 CB GLU A 112 11.716 0.692 -1.886 1.00 0.00 C ATOM 1776 CG GLU A 112 11.874 1.922 -2.765 1.00 0.00 C ATOM 1777 CD GLU A 112 12.922 2.885 -2.241 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.021 2.421 -1.868 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.644 4.103 -2.203 1.00 0.00 O ATOM 0 H GLU A 112 10.256 -0.537 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 112 13.103 -0.461 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.674 0.608 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.308 0.825 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.145 1.610 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.916 2.438 -2.837 1.00 0.00 H new ATOM 1786 N ILE A 113 11.178 -2.341 -1.167 1.00 0.00 N ATOM 1787 CA ILE A 113 11.196 -3.418 -0.182 1.00 0.00 C ATOM 1788 C ILE A 113 11.223 -4.792 -0.854 1.00 0.00 C ATOM 1789 O ILE A 113 11.254 -5.819 -0.177 1.00 0.00 O ATOM 1790 CB ILE A 113 9.977 -3.337 0.765 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.713 -3.868 0.074 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.768 -1.904 1.235 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.454 -3.713 0.900 1.00 0.00 C ATOM 0 H ILE A 113 10.252 -2.119 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 113 12.108 -3.292 0.402 1.00 0.00 H new ATOM 0 HB ILE A 113 10.175 -3.963 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.581 -3.345 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.855 -4.923 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.906 -1.862 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.656 -1.563 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.592 -1.260 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.604 -4.111 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.564 -4.259 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.286 -2.657 1.113 1.00 0.00 H new ATOM 1805 N GLY A 114 11.201 -4.806 -2.185 1.00 0.00 N ATOM 1806 CA GLY A 114 11.215 -6.062 -2.908 1.00 0.00 C ATOM 1807 C GLY A 114 9.892 -6.792 -2.800 1.00 0.00 C ATOM 1808 O GLY A 114 9.848 -8.023 -2.815 1.00 0.00 O ATOM 0 H GLY A 114 11.174 -3.972 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.441 -5.874 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.012 -6.696 -2.519 1.00 0.00 H new ATOM 1812 N LEU A 115 8.810 -6.029 -2.689 1.00 0.00 N ATOM 1813 CA LEU A 115 7.474 -6.602 -2.574 1.00 0.00 C ATOM 1814 C LEU A 115 6.983 -7.112 -3.924 1.00 0.00 C ATOM 1815 O LEU A 115 6.909 -8.319 -4.153 1.00 0.00 O ATOM 1816 CB LEU A 115 6.497 -5.562 -2.016 1.00 0.00 C ATOM 1817 CG LEU A 115 5.478 -6.098 -1.009 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.171 -6.901 0.082 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.677 -4.955 -0.408 1.00 0.00 C ATOM 0 H LEU A 115 8.832 -5.009 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 115 7.524 -7.446 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.071 -4.767 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.958 -5.110 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 115 4.791 -6.762 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.428 -7.273 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.700 -7.743 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.882 -6.263 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.956 -5.352 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.351 -4.267 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.148 -4.425 -1.200 1.00 0.00 H new ATOM 1831 N ALA A 116 6.658 -6.185 -4.818 1.00 0.00 N ATOM 1832 CA ALA A 116 6.184 -6.543 -6.147 1.00 0.00 C ATOM 1833 C ALA A 116 7.344 -6.574 -7.136 1.00 0.00 C ATOM 1834 O ALA A 116 8.431 -6.079 -6.842 1.00 0.00 O ATOM 1835 CB ALA A 116 5.121 -5.563 -6.615 1.00 0.00 C ATOM 0 H ALA A 116 6.714 -5.181 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 116 5.742 -7.538 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.778 -5.846 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.279 -5.581 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.542 -4.558 -6.648 1.00 0.00 H new ATOM 1841 N LYS A 117 7.109 -7.147 -8.310 1.00 0.00 N ATOM 1842 CA LYS A 117 8.141 -7.221 -9.335 1.00 0.00 C ATOM 1843 C LYS A 117 7.943 -6.120 -10.368 1.00 0.00 C ATOM 1844 O LYS A 117 6.817 -5.687 -10.616 1.00 0.00 O ATOM 1845 CB LYS A 117 8.126 -8.592 -10.013 1.00 0.00 C ATOM 1846 CG LYS A 117 9.395 -9.398 -9.784 1.00 0.00 C ATOM 1847 CD LYS A 117 9.642 -9.641 -8.304 1.00 0.00 C ATOM 1848 CE LYS A 117 10.676 -8.677 -7.742 1.00 0.00 C ATOM 1849 NZ LYS A 117 11.865 -9.392 -7.199 1.00 0.00 N ATOM 0 H LYS A 117 6.217 -7.565 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 117 9.111 -7.081 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.273 -9.161 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.980 -8.457 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.319 -10.354 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.246 -8.869 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.706 -9.532 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.981 -10.666 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.993 -7.988 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.222 -8.077 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.546 -8.700 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.567 -10.031 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.314 -9.945 -7.957 1.00 0.00 H new ATOM 1863 N ASP A 118 9.038 -5.666 -10.969 1.00 0.00 N ATOM 1864 CA ASP A 118 8.966 -4.612 -11.974 1.00 0.00 C ATOM 1865 C ASP A 118 8.008 -4.999 -13.096 1.00 0.00 C ATOM 1866 O ASP A 118 7.395 -4.137 -13.727 1.00 0.00 O ATOM 1867 CB ASP A 118 10.353 -4.314 -12.544 1.00 0.00 C ATOM 1868 CG ASP A 118 10.938 -5.492 -13.298 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.198 -6.535 -12.661 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.136 -5.373 -14.526 1.00 0.00 O ATOM 0 H ASP A 118 9.980 -6.009 -10.779 1.00 0.00 H new ATOM 0 HA ASP A 118 8.587 -3.711 -11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.291 -3.455 -13.212 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.024 -4.038 -11.731 1.00 0.00 H new ATOM 1875 N ASP A 119 7.874 -6.301 -13.328 1.00 0.00 N ATOM 1876 CA ASP A 119 6.979 -6.803 -14.360 1.00 0.00 C ATOM 1877 C ASP A 119 5.538 -6.805 -13.858 1.00 0.00 C ATOM 1878 O ASP A 119 4.594 -6.810 -14.649 1.00 0.00 O ATOM 1879 CB ASP A 119 7.391 -8.216 -14.781 1.00 0.00 C ATOM 1880 CG ASP A 119 8.117 -8.234 -16.113 1.00 0.00 C ATOM 1881 OD1 ASP A 119 7.773 -7.410 -16.987 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.030 -9.069 -16.280 1.00 0.00 O ATOM 0 H ASP A 119 8.375 -7.026 -12.814 1.00 0.00 H new ATOM 0 HA ASP A 119 7.047 -6.145 -15.226 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.034 -8.648 -14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.504 -8.846 -14.845 1.00 0.00 H new ATOM 1887 N GLN A 120 5.378 -6.795 -12.536 1.00 0.00 N ATOM 1888 CA GLN A 120 4.056 -6.788 -11.925 1.00 0.00 C ATOM 1889 C GLN A 120 3.601 -5.365 -11.613 1.00 0.00 C ATOM 1890 O GLN A 120 2.485 -5.156 -11.140 1.00 0.00 O ATOM 1891 CB GLN A 120 4.061 -7.605 -10.635 1.00 0.00 C ATOM 1892 CG GLN A 120 4.695 -8.978 -10.773 1.00 0.00 C ATOM 1893 CD GLN A 120 4.397 -9.875 -9.585 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.283 -9.276 -8.403 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 4.269 -11.090 -9.729 1.00 0.00 N flip ATOM 0 H GLN A 120 6.150 -6.792 -11.869 1.00 0.00 H new ATOM 0 HA GLN A 120 3.362 -7.233 -12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.594 -7.046 -9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.034 -7.724 -10.289 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.331 -9.453 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.774 -8.868 -10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.365 -11.507 -10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.067 -11.681 -8.922 1.00 0.00 H new ATOM 1904 N LEU A 121 4.474 -4.395 -11.863 1.00 0.00 N ATOM 1905 CA LEU A 121 4.166 -2.995 -11.596 1.00 0.00 C ATOM 1906 C LEU A 121 2.926 -2.545 -12.360 1.00 0.00 C ATOM 1907 O LEU A 121 3.025 -1.881 -13.392 1.00 0.00 O ATOM 1908 CB LEU A 121 5.358 -2.108 -11.965 1.00 0.00 C ATOM 1909 CG LEU A 121 6.462 -2.038 -10.908 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.722 -1.416 -11.492 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.988 -1.248 -9.693 1.00 0.00 C ATOM 0 H LEU A 121 5.404 -4.554 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 121 3.963 -2.896 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.790 -2.474 -12.896 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.995 -1.098 -12.157 1.00 0.00 H new ATOM 0 HG LEU A 121 6.697 -3.053 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.496 -1.375 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.072 -2.020 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.502 -0.407 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.786 -1.208 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.725 -0.235 -9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.114 -1.735 -9.260 1.00 0.00 H new ATOM 1923 N LYS A 122 1.758 -2.903 -11.838 1.00 0.00 N ATOM 1924 CA LYS A 122 0.495 -2.530 -12.456 1.00 0.00 C ATOM 1925 C LYS A 122 -0.120 -1.353 -11.711 1.00 0.00 C ATOM 1926 O LYS A 122 -1.090 -1.508 -10.970 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.467 -3.720 -12.458 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.472 -4.491 -13.767 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.091 -3.678 -14.893 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.426 -3.978 -16.226 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.387 -3.882 -17.360 1.00 0.00 N ATOM 0 H LYS A 122 1.662 -3.453 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 122 0.681 -2.235 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.197 -4.397 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.476 -3.362 -12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.549 -4.764 -14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.027 -5.420 -13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.157 -3.898 -14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.998 -2.615 -14.670 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.396 -3.281 -16.387 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.005 -4.979 -16.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.895 -4.094 -18.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.158 -4.565 -17.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.780 -2.920 -17.402 1.00 0.00 H new ATOM 1945 N VAL A 123 0.466 -0.178 -11.897 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.005 1.027 -11.229 1.00 0.00 C ATOM 1947 C VAL A 123 -1.069 1.753 -12.051 1.00 0.00 C ATOM 1948 O VAL A 123 -0.870 2.039 -13.232 1.00 0.00 O ATOM 1949 CB VAL A 123 1.169 1.987 -10.943 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.924 2.310 -12.223 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.679 3.256 -10.266 1.00 0.00 C ATOM 0 H VAL A 123 1.271 -0.034 -12.507 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.455 0.714 -10.287 1.00 0.00 H new ATOM 0 HB VAL A 123 1.857 1.488 -10.261 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.747 2.988 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.319 1.390 -12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.248 2.784 -12.935 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.525 3.916 -10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.037 3.761 -10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.197 3.002 -9.322 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.199 2.053 -11.414 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.292 2.752 -12.082 1.00 0.00 C ATOM 1963 C HIS A 124 -3.894 3.820 -11.177 1.00 0.00 C ATOM 1964 O HIS A 124 -4.067 3.607 -9.977 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.380 1.765 -12.505 1.00 0.00 C ATOM 1966 CG HIS A 124 -3.843 0.513 -13.121 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -3.879 0.264 -14.476 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.248 -0.564 -12.557 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.332 -0.914 -14.720 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -2.941 -1.436 -13.572 1.00 0.00 N ATOM 0 H HIS A 124 -2.381 1.823 -10.437 1.00 0.00 H new ATOM 0 HA HIS A 124 -2.883 3.237 -12.968 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.980 1.503 -11.634 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.046 2.254 -13.216 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.267 0.891 -15.181 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.051 -0.710 -11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.223 -1.372 -15.692 1.00 0.00 H new ATOM 1979 N GLY A 125 -4.219 4.967 -11.762 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.805 6.051 -11.002 1.00 0.00 C ATOM 1981 C GLY A 125 -6.240 6.322 -11.406 1.00 0.00 C ATOM 1982 O GLY A 125 -6.540 6.467 -12.592 1.00 0.00 O ATOM 0 H GLY A 125 -4.086 5.164 -12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.768 5.810 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.212 6.955 -11.145 1.00 0.00 H new ATOM 1986 N PHE A 126 -7.129 6.383 -10.417 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.550 6.633 -10.662 1.00 0.00 C ATOM 1988 C PHE A 126 -8.755 7.718 -11.719 1.00 0.00 C ATOM 1989 O PHE A 126 -9.699 7.586 -12.527 1.00 0.00 O ATOM 1990 CB PHE A 126 -9.243 7.036 -9.357 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.930 8.438 -8.911 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.616 8.856 -8.765 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.949 9.336 -8.642 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.327 10.144 -8.361 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.665 10.627 -8.238 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.352 11.031 -8.096 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.971 8.691 -11.729 1.00 0.00 O ATOM 0 H PHE A 126 -6.890 6.262 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.992 5.711 -11.039 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.321 6.937 -9.484 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.949 6.341 -8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.810 8.167 -8.970 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.977 9.024 -8.749 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.299 10.458 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.469 11.319 -8.034 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.127 12.038 -7.778 1.00 0.00 H new