USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 28 SER OG : rot 180:sc= 0.0443 USER MOD Set 1.2: A 77 TYR OH : rot -83:sc= -3.67! USER MOD Set 2.1: A 12 TYR OH : rot 165:sc= -0.446 USER MOD Set 2.2: A 50 MET CE :methyl 171:sc= -0.0651 (180deg=-0.0973) USER MOD Set 2.3: A 53 GLN : amide:sc= -2.21 K(o=-2.7,f=-3.5!) USER MOD Set 3.1: A 10 THR OG1 : rot 170:sc= -0.443 USER MOD Set 3.2: A 90 SER OG : rot -150:sc= -0.188 USER MOD Single : A 8 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.9!) USER MOD Single : A 9 HIS : no HE2:sc= -3.37 K(o=-3.4,f=-10!) USER MOD Single : A 14 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 15 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.5!) USER MOD Single : A 17 ASN : amide:sc= -6.19! C(o=-6.2!,f=-16!) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.19 (180deg=-1.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.181 USER MOD Single : A 63 SER OG : rot 160:sc= -1.56! USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.281 USER MOD Single : A 66 ASN : amide:sc= -5.74 K(o=-5.7,f=-12!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -168:sc= -0.0333 (180deg=-0.0719) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.455) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.0049) USER MOD Single : A 85 TYR OH : rot 170:sc= -3.56! USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0287) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.953 -3.268 -27.631 1.00 0.00 N ATOM 683 CA PRO A 7 30.458 -2.533 -26.453 1.00 0.00 C ATOM 684 C PRO A 7 31.037 -1.109 -26.425 1.00 0.00 C ATOM 685 O PRO A 7 32.183 -0.887 -26.814 1.00 0.00 O ATOM 686 CB PRO A 7 30.971 -3.355 -25.268 1.00 0.00 C ATOM 687 CG PRO A 7 32.182 -4.166 -25.789 1.00 0.00 C ATOM 688 CD PRO A 7 32.047 -4.223 -27.322 1.00 0.00 C ATOM 0 HA PRO A 7 29.374 -2.420 -26.446 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.265 -2.706 -24.443 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.193 -4.018 -24.890 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.120 -3.691 -25.500 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.188 -5.169 -25.363 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.976 -3.936 -27.814 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.804 -5.230 -27.663 1.00 0.00 H new ATOM 689 N ASN A 8 30.271 -0.139 -25.974 1.00 0.00 N ATOM 690 CA ASN A 8 30.788 1.258 -25.930 1.00 0.00 C ATOM 691 C ASN A 8 30.808 1.751 -24.478 1.00 0.00 C ATOM 692 O ASN A 8 31.870 1.997 -23.913 1.00 0.00 O ATOM 693 CB ASN A 8 29.879 2.163 -26.771 1.00 0.00 C ATOM 694 CG ASN A 8 30.736 3.034 -27.702 1.00 0.00 C ATOM 695 OD1 ASN A 8 31.925 3.223 -27.455 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.199 3.578 -28.766 1.00 0.00 N ATOM 0 H ASN A 8 29.316 -0.260 -25.637 1.00 0.00 H new ATOM 0 HA ASN A 8 31.800 1.286 -26.333 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.188 1.557 -27.357 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.275 2.795 -26.120 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.767 4.156 -29.385 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.213 3.424 -28.975 1.00 0.00 H new ATOM 697 N HIS A 9 29.653 1.899 -23.862 1.00 0.00 N ATOM 698 CA HIS A 9 29.592 2.384 -22.437 1.00 0.00 C ATOM 699 C HIS A 9 28.146 2.800 -22.120 1.00 0.00 C ATOM 700 O HIS A 9 27.611 2.482 -21.058 1.00 0.00 O ATOM 701 CB HIS A 9 30.509 3.610 -22.240 1.00 0.00 C ATOM 702 CG HIS A 9 31.581 3.295 -21.230 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.918 3.185 -21.579 1.00 0.00 N ATOM 704 CD2 HIS A 9 31.527 3.067 -19.878 1.00 0.00 C ATOM 705 CE1 HIS A 9 33.608 2.903 -20.459 1.00 0.00 C ATOM 706 NE2 HIS A 9 32.808 2.821 -19.392 1.00 0.00 N ATOM 0 H HIS A 9 28.746 1.704 -24.286 1.00 0.00 H new ATOM 0 HA HIS A 9 29.922 1.582 -21.776 1.00 0.00 H new ATOM 0 HB2 HIS A 9 30.964 3.890 -23.190 1.00 0.00 H new ATOM 0 HB3 HIS A 9 29.921 4.464 -21.904 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.308 3.297 -22.515 1.00 0.00 H new ATOM 0 HD2 HIS A 9 30.627 3.077 -19.281 1.00 0.00 H new ATOM 0 HE1 HIS A 9 34.678 2.760 -20.426 1.00 0.00 H new ATOM 707 N THR A 10 27.505 3.507 -23.025 1.00 0.00 N ATOM 708 CA THR A 10 26.102 3.941 -22.774 1.00 0.00 C ATOM 709 C THR A 10 25.163 3.233 -23.764 1.00 0.00 C ATOM 710 O THR A 10 25.261 3.436 -24.972 1.00 0.00 O ATOM 711 CB THR A 10 26.001 5.459 -22.969 1.00 0.00 C ATOM 712 OG1 THR A 10 26.896 6.107 -22.077 1.00 0.00 O ATOM 713 CG2 THR A 10 24.571 5.928 -22.687 1.00 0.00 C ATOM 0 H THR A 10 27.896 3.798 -23.921 1.00 0.00 H new ATOM 0 HA THR A 10 25.815 3.683 -21.755 1.00 0.00 H new ATOM 0 HB THR A 10 26.261 5.708 -23.998 1.00 0.00 H new ATOM 0 HG1 THR A 10 26.955 7.058 -22.306 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.508 7.007 -22.828 1.00 0.00 H new ATOM 0 HG22 THR A 10 23.884 5.432 -23.372 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.302 5.680 -21.660 1.00 0.00 H new ATOM 714 N ILE A 11 24.249 2.416 -23.283 1.00 0.00 N ATOM 715 CA ILE A 11 23.316 1.721 -24.226 1.00 0.00 C ATOM 716 C ILE A 11 22.318 2.742 -24.794 1.00 0.00 C ATOM 717 O ILE A 11 22.337 3.917 -24.424 1.00 0.00 O ATOM 718 CB ILE A 11 22.559 0.591 -23.506 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.690 1.175 -22.381 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.570 -0.395 -22.914 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.229 1.226 -22.834 1.00 0.00 C ATOM 0 H ILE A 11 24.112 2.205 -22.295 1.00 0.00 H new ATOM 0 HA ILE A 11 23.895 1.281 -25.038 1.00 0.00 H new ATOM 0 HB ILE A 11 21.916 0.075 -24.219 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.782 0.564 -21.483 1.00 0.00 H new ATOM 0 HG13 ILE A 11 22.036 2.176 -22.123 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.039 -1.198 -22.403 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.180 -0.815 -23.714 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.212 0.125 -22.203 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.615 1.640 -22.035 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.145 1.855 -23.720 1.00 0.00 H new ATOM 0 HD13 ILE A 11 19.886 0.219 -23.070 1.00 0.00 H new ATOM 722 N TYR A 12 21.450 2.327 -25.691 1.00 0.00 N ATOM 723 CA TYR A 12 20.472 3.284 -26.285 1.00 0.00 C ATOM 724 C TYR A 12 19.154 2.546 -26.586 1.00 0.00 C ATOM 725 O TYR A 12 19.141 1.336 -26.790 1.00 0.00 O ATOM 726 CB TYR A 12 21.087 3.859 -27.575 1.00 0.00 C ATOM 727 CG TYR A 12 20.050 4.587 -28.404 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.541 5.818 -27.977 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.609 4.027 -29.607 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.588 6.489 -28.754 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.658 4.694 -30.385 1.00 0.00 C ATOM 732 CZ TYR A 12 18.146 5.926 -29.959 1.00 0.00 C ATOM 733 OH TYR A 12 17.206 6.587 -30.727 1.00 0.00 O ATOM 0 H TYR A 12 21.381 1.369 -26.033 1.00 0.00 H new ATOM 0 HA TYR A 12 20.255 4.098 -25.594 1.00 0.00 H new ATOM 0 HB2 TYR A 12 21.897 4.543 -27.321 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.524 3.052 -28.163 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.883 6.251 -27.048 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.004 3.077 -29.936 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.194 7.439 -28.425 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.318 4.260 -31.314 1.00 0.00 H new ATOM 0 HH TYR A 12 17.185 6.197 -31.626 1.00 0.00 H new ATOM 734 N ILE A 13 18.047 3.253 -26.617 1.00 0.00 N ATOM 735 CA ILE A 13 16.745 2.589 -26.909 1.00 0.00 C ATOM 736 C ILE A 13 15.940 3.464 -27.881 1.00 0.00 C ATOM 737 O ILE A 13 15.904 4.685 -27.743 1.00 0.00 O ATOM 738 CB ILE A 13 15.950 2.410 -25.610 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.797 1.637 -24.581 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.667 1.631 -25.909 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.184 2.567 -23.427 1.00 0.00 C ATOM 0 H ILE A 13 17.994 4.258 -26.453 1.00 0.00 H new ATOM 0 HA ILE A 13 16.929 1.612 -27.355 1.00 0.00 H new ATOM 0 HB ILE A 13 15.698 3.388 -25.200 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.235 0.784 -24.200 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.694 1.241 -25.058 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.098 1.501 -24.989 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.066 2.183 -26.632 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.922 0.654 -26.319 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.783 2.017 -22.701 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.763 3.406 -23.814 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.282 2.942 -22.943 1.00 0.00 H new ATOM 742 N ASN A 14 15.293 2.871 -28.863 1.00 0.00 N ATOM 743 CA ASN A 14 14.500 3.686 -29.828 1.00 0.00 C ATOM 744 C ASN A 14 13.185 2.959 -30.154 1.00 0.00 C ATOM 745 O ASN A 14 12.888 1.911 -29.584 1.00 0.00 O ATOM 746 CB ASN A 14 15.314 3.896 -31.111 1.00 0.00 C ATOM 747 CG ASN A 14 15.584 2.544 -31.790 1.00 0.00 C ATOM 748 OD1 ASN A 14 16.189 1.658 -31.191 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.165 2.333 -33.015 1.00 0.00 N ATOM 0 H ASN A 14 15.284 1.865 -29.032 1.00 0.00 H new ATOM 0 HA ASN A 14 14.272 4.656 -29.387 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.772 4.552 -31.792 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.257 4.389 -30.876 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.342 1.436 -33.467 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.662 3.066 -33.515 1.00 0.00 H new ATOM 750 N ASN A 15 12.386 3.489 -31.057 1.00 0.00 N ATOM 751 CA ASN A 15 11.099 2.817 -31.401 1.00 0.00 C ATOM 752 C ASN A 15 10.207 2.746 -30.151 1.00 0.00 C ATOM 753 O ASN A 15 9.550 1.737 -29.905 1.00 0.00 O ATOM 754 CB ASN A 15 11.377 1.398 -31.911 1.00 0.00 C ATOM 755 CG ASN A 15 10.115 0.834 -32.577 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.003 1.246 -32.253 1.00 0.00 O ATOM 757 ND2 ASN A 15 10.221 -0.094 -33.497 1.00 0.00 N ATOM 0 H ASN A 15 12.574 4.354 -31.565 1.00 0.00 H new ATOM 0 HA ASN A 15 10.592 3.387 -32.179 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.201 1.412 -32.624 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.682 0.757 -31.084 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.383 -0.471 -33.940 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.141 -0.439 -33.769 1.00 0.00 H new ATOM 758 N LEU A 16 10.165 3.795 -29.356 1.00 0.00 N ATOM 759 CA LEU A 16 9.306 3.764 -28.135 1.00 0.00 C ATOM 760 C LEU A 16 7.928 4.353 -28.468 1.00 0.00 C ATOM 761 O LEU A 16 7.688 4.794 -29.592 1.00 0.00 O ATOM 762 CB LEU A 16 9.956 4.590 -27.018 1.00 0.00 C ATOM 763 CG LEU A 16 11.101 3.791 -26.383 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.436 4.238 -26.983 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.118 4.037 -24.872 1.00 0.00 C ATOM 0 H LEU A 16 10.685 4.660 -29.502 1.00 0.00 H new ATOM 0 HA LEU A 16 9.195 2.733 -27.800 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.335 5.529 -27.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.214 4.844 -26.261 1.00 0.00 H new ATOM 0 HG LEU A 16 10.952 2.729 -26.580 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.247 3.669 -26.530 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.428 4.064 -28.059 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.585 5.300 -26.788 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.931 3.469 -24.420 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.265 5.099 -24.678 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.169 3.717 -24.441 1.00 0.00 H new ATOM 766 N ASN A 17 7.013 4.375 -27.522 1.00 0.00 N ATOM 767 CA ASN A 17 5.662 4.942 -27.810 1.00 0.00 C ATOM 768 C ASN A 17 5.692 6.462 -27.604 1.00 0.00 C ATOM 769 O ASN A 17 6.518 6.982 -26.855 1.00 0.00 O ATOM 770 CB ASN A 17 4.613 4.301 -26.883 1.00 0.00 C ATOM 771 CG ASN A 17 4.844 4.736 -25.427 1.00 0.00 C ATOM 772 OD1 ASN A 17 5.888 5.297 -25.106 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.921 4.512 -24.523 1.00 0.00 N ATOM 0 H ASN A 17 7.146 4.027 -26.573 1.00 0.00 H new ATOM 0 HA ASN A 17 5.392 4.725 -28.844 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.612 4.592 -27.201 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.668 3.215 -26.957 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.072 4.804 -23.557 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.052 4.046 -24.786 1.00 0.00 H new ATOM 774 N GLU A 18 4.814 7.187 -28.255 1.00 0.00 N ATOM 775 CA GLU A 18 4.806 8.670 -28.090 1.00 0.00 C ATOM 776 C GLU A 18 3.801 9.060 -26.995 1.00 0.00 C ATOM 777 O GLU A 18 2.866 9.822 -27.238 1.00 0.00 O ATOM 778 CB GLU A 18 4.411 9.329 -29.415 1.00 0.00 C ATOM 779 CG GLU A 18 5.653 9.489 -30.293 1.00 0.00 C ATOM 780 CD GLU A 18 5.265 9.312 -31.762 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.339 9.979 -32.195 1.00 0.00 O ATOM 782 OE2 GLU A 18 5.900 8.513 -32.430 1.00 0.00 O ATOM 0 H GLU A 18 4.107 6.816 -28.890 1.00 0.00 H new ATOM 0 HA GLU A 18 5.801 9.010 -27.801 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.665 8.721 -29.928 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.956 10.302 -29.229 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.096 10.473 -30.139 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.406 8.753 -30.013 1.00 0.00 H new ATOM 783 N LYS A 19 3.971 8.559 -25.789 1.00 0.00 N ATOM 784 CA LYS A 19 3.022 8.915 -24.694 1.00 0.00 C ATOM 785 C LYS A 19 3.743 8.862 -23.334 1.00 0.00 C ATOM 786 O LYS A 19 3.158 8.461 -22.329 1.00 0.00 O ATOM 787 CB LYS A 19 1.856 7.924 -24.691 1.00 0.00 C ATOM 788 CG LYS A 19 1.222 7.881 -26.083 1.00 0.00 C ATOM 789 CD LYS A 19 -0.087 7.090 -26.025 1.00 0.00 C ATOM 790 CE LYS A 19 -0.587 6.823 -27.445 1.00 0.00 C ATOM 791 NZ LYS A 19 0.439 6.044 -28.194 1.00 0.00 N ATOM 0 H LYS A 19 4.723 7.923 -25.523 1.00 0.00 H new ATOM 0 HA LYS A 19 2.647 9.925 -24.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.208 6.932 -24.409 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.114 8.221 -23.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.032 8.894 -26.439 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.908 7.418 -26.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.069 6.148 -25.500 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.836 7.648 -25.463 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.527 6.271 -27.414 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.787 7.765 -27.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.019 5.522 -28.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.150 6.694 -28.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.903 5.372 -27.550 1.00 0.00 H new ATOM 792 N ILE A 20 5.000 9.253 -23.276 1.00 0.00 N ATOM 793 CA ILE A 20 5.734 9.215 -21.976 1.00 0.00 C ATOM 794 C ILE A 20 5.625 10.574 -21.285 1.00 0.00 C ATOM 795 O ILE A 20 5.418 11.598 -21.937 1.00 0.00 O ATOM 796 CB ILE A 20 7.219 8.890 -22.207 1.00 0.00 C ATOM 797 CG1 ILE A 20 7.378 7.753 -23.233 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.852 8.468 -20.880 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.582 6.525 -22.785 1.00 0.00 C ATOM 0 H ILE A 20 5.541 9.594 -24.071 1.00 0.00 H new ATOM 0 HA ILE A 20 5.290 8.441 -21.350 1.00 0.00 H new ATOM 0 HB ILE A 20 7.716 9.779 -22.596 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.030 8.084 -24.211 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.431 7.494 -23.340 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.905 8.236 -21.037 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.763 9.281 -20.160 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.339 7.586 -20.497 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.701 5.727 -23.518 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.950 6.186 -21.816 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.527 6.786 -22.701 1.00 0.00 H new ATOM 800 N LYS A 21 5.760 10.615 -19.977 1.00 0.00 N ATOM 801 CA LYS A 21 5.662 11.921 -19.271 1.00 0.00 C ATOM 802 C LYS A 21 7.050 12.412 -18.811 1.00 0.00 C ATOM 803 O LYS A 21 7.143 13.159 -17.847 1.00 0.00 O ATOM 804 CB LYS A 21 4.744 11.775 -18.055 1.00 0.00 C ATOM 805 CG LYS A 21 3.300 11.592 -18.528 1.00 0.00 C ATOM 806 CD LYS A 21 2.511 10.813 -17.473 1.00 0.00 C ATOM 807 CE LYS A 21 1.023 10.823 -17.831 1.00 0.00 C ATOM 808 NZ LYS A 21 0.335 11.898 -17.061 1.00 0.00 N ATOM 0 H LYS A 21 5.932 9.806 -19.380 1.00 0.00 H new ATOM 0 HA LYS A 21 5.252 12.655 -19.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.052 10.920 -17.453 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.821 12.657 -17.419 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.837 12.564 -18.700 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.282 11.058 -19.478 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.875 9.787 -17.417 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.661 11.259 -16.490 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.896 10.989 -18.901 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.577 9.855 -17.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.676 11.906 -17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.445 11.720 -16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.755 12.819 -17.299 1.00 0.00 H new ATOM 809 N LYS A 22 8.117 12.034 -19.498 1.00 0.00 N ATOM 810 CA LYS A 22 9.503 12.494 -19.124 1.00 0.00 C ATOM 811 C LYS A 22 10.003 11.803 -17.842 1.00 0.00 C ATOM 812 O LYS A 22 10.763 10.840 -17.921 1.00 0.00 O ATOM 813 CB LYS A 22 9.535 14.024 -18.963 1.00 0.00 C ATOM 814 CG LYS A 22 10.349 14.651 -20.100 1.00 0.00 C ATOM 815 CD LYS A 22 9.832 16.064 -20.379 1.00 0.00 C ATOM 816 CE LYS A 22 10.911 16.868 -21.105 1.00 0.00 C ATOM 817 NZ LYS A 22 10.412 18.247 -21.367 1.00 0.00 N ATOM 0 H LYS A 22 8.082 11.419 -20.311 1.00 0.00 H new ATOM 0 HA LYS A 22 10.177 12.212 -19.933 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.520 14.420 -18.969 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.974 14.288 -18.001 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.404 14.685 -19.830 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.270 14.039 -20.999 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.928 16.019 -20.986 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.564 16.556 -19.444 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.818 16.907 -20.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.173 16.380 -22.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.146 18.794 -21.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.558 18.201 -21.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.183 18.711 -20.465 1.00 0.00 H new ATOM 818 N ASP A 23 9.608 12.246 -16.665 1.00 0.00 N ATOM 819 CA ASP A 23 10.082 11.563 -15.425 1.00 0.00 C ATOM 820 C ASP A 23 9.655 10.093 -15.481 1.00 0.00 C ATOM 821 O ASP A 23 10.294 9.235 -14.877 1.00 0.00 O ATOM 822 CB ASP A 23 9.471 12.220 -14.177 1.00 0.00 C ATOM 823 CG ASP A 23 10.204 11.726 -12.929 1.00 0.00 C ATOM 824 OD1 ASP A 23 11.379 12.029 -12.796 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.579 11.051 -12.127 1.00 0.00 O ATOM 0 H ASP A 23 8.986 13.041 -16.517 1.00 0.00 H new ATOM 0 HA ASP A 23 11.167 11.645 -15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.547 13.305 -14.250 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.410 11.978 -14.108 1.00 0.00 H new ATOM 826 N GLU A 24 8.584 9.772 -16.189 1.00 0.00 N ATOM 827 CA GLU A 24 8.152 8.353 -16.255 1.00 0.00 C ATOM 828 C GLU A 24 9.220 7.516 -16.974 1.00 0.00 C ATOM 829 O GLU A 24 9.535 6.408 -16.544 1.00 0.00 O ATOM 830 CB GLU A 24 6.817 8.225 -17.002 1.00 0.00 C ATOM 831 CG GLU A 24 6.157 6.891 -16.645 1.00 0.00 C ATOM 832 CD GLU A 24 4.685 6.923 -17.060 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.982 7.815 -16.614 1.00 0.00 O ATOM 834 OE2 GLU A 24 4.284 6.053 -17.815 1.00 0.00 O ATOM 0 H GLU A 24 8.007 10.431 -16.712 1.00 0.00 H new ATOM 0 HA GLU A 24 8.021 7.987 -15.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.158 9.051 -16.735 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.983 8.284 -18.078 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.670 6.073 -17.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.240 6.707 -15.574 1.00 0.00 H new ATOM 835 N LEU A 25 9.783 8.004 -18.063 1.00 0.00 N ATOM 836 CA LEU A 25 10.821 7.189 -18.782 1.00 0.00 C ATOM 837 C LEU A 25 12.098 7.044 -17.935 1.00 0.00 C ATOM 838 O LEU A 25 12.811 6.051 -18.065 1.00 0.00 O ATOM 839 CB LEU A 25 11.173 7.832 -20.128 1.00 0.00 C ATOM 840 CG LEU A 25 11.519 6.738 -21.143 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.268 5.911 -21.467 1.00 0.00 C ATOM 842 CD2 LEU A 25 12.049 7.387 -22.424 1.00 0.00 C ATOM 0 H LEU A 25 9.573 8.912 -18.476 1.00 0.00 H new ATOM 0 HA LEU A 25 10.400 6.198 -18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.334 8.426 -20.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.017 8.512 -20.009 1.00 0.00 H new ATOM 0 HG LEU A 25 12.280 6.082 -20.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.522 5.135 -22.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.891 5.448 -20.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.501 6.561 -21.887 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.297 6.612 -23.149 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.286 8.044 -22.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.942 7.968 -22.195 1.00 0.00 H new ATOM 843 N LYS A 26 12.415 7.990 -17.078 1.00 0.00 N ATOM 844 CA LYS A 26 13.659 7.846 -16.252 1.00 0.00 C ATOM 845 C LYS A 26 13.420 6.891 -15.066 1.00 0.00 C ATOM 846 O LYS A 26 14.368 6.306 -14.543 1.00 0.00 O ATOM 847 CB LYS A 26 14.106 9.214 -15.723 1.00 0.00 C ATOM 848 CG LYS A 26 15.465 9.076 -15.037 1.00 0.00 C ATOM 849 CD LYS A 26 16.086 10.462 -14.849 1.00 0.00 C ATOM 850 CE LYS A 26 17.101 10.419 -13.705 1.00 0.00 C ATOM 851 NZ LYS A 26 16.441 10.845 -12.439 1.00 0.00 N ATOM 0 H LYS A 26 11.876 8.841 -16.917 1.00 0.00 H new ATOM 0 HA LYS A 26 14.440 7.430 -16.888 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.172 9.929 -16.543 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.369 9.602 -15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.348 8.584 -14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.125 8.449 -15.636 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.574 10.781 -15.770 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.308 11.194 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.501 9.411 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.943 11.074 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.131 10.816 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.079 11.814 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.651 10.202 -12.226 1.00 0.00 H new ATOM 852 N LYS A 27 12.191 6.706 -14.623 1.00 0.00 N ATOM 853 CA LYS A 27 11.951 5.773 -13.478 1.00 0.00 C ATOM 854 C LYS A 27 11.911 4.320 -13.985 1.00 0.00 C ATOM 855 O LYS A 27 12.293 3.398 -13.265 1.00 0.00 O ATOM 856 CB LYS A 27 10.621 6.108 -12.791 1.00 0.00 C ATOM 857 CG LYS A 27 10.774 7.400 -11.985 1.00 0.00 C ATOM 858 CD LYS A 27 11.124 7.061 -10.534 1.00 0.00 C ATOM 859 CE LYS A 27 9.837 6.902 -9.722 1.00 0.00 C ATOM 860 NZ LYS A 27 10.137 7.084 -8.274 1.00 0.00 N ATOM 0 H LYS A 27 11.358 7.156 -15.002 1.00 0.00 H new ATOM 0 HA LYS A 27 12.764 5.886 -12.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.833 6.223 -13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.322 5.291 -12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.554 8.023 -12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.849 7.975 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.707 6.141 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.743 7.849 -10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.097 7.634 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.406 5.916 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.262 6.976 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.829 6.369 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.530 8.034 -8.118 1.00 0.00 H new ATOM 861 N SER A 28 11.457 4.083 -15.203 1.00 0.00 N ATOM 862 CA SER A 28 11.407 2.677 -15.712 1.00 0.00 C ATOM 863 C SER A 28 12.803 2.233 -16.173 1.00 0.00 C ATOM 864 O SER A 28 13.193 1.086 -15.958 1.00 0.00 O ATOM 865 CB SER A 28 10.430 2.574 -16.889 1.00 0.00 C ATOM 866 OG SER A 28 9.101 2.493 -16.390 1.00 0.00 O ATOM 0 H SER A 28 11.125 4.796 -15.853 1.00 0.00 H new ATOM 0 HA SER A 28 11.068 2.029 -14.904 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.534 3.442 -17.540 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.659 1.695 -17.491 1.00 0.00 H new ATOM 0 HG SER A 28 8.473 2.429 -17.140 1.00 0.00 H new ATOM 867 N LEU A 29 13.569 3.102 -16.803 1.00 0.00 N ATOM 868 CA LEU A 29 14.933 2.684 -17.267 1.00 0.00 C ATOM 869 C LEU A 29 15.866 2.552 -16.059 1.00 0.00 C ATOM 870 O LEU A 29 16.524 1.529 -15.876 1.00 0.00 O ATOM 871 CB LEU A 29 15.505 3.720 -18.243 1.00 0.00 C ATOM 872 CG LEU A 29 14.663 3.740 -19.520 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.775 5.113 -20.185 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.175 2.667 -20.483 1.00 0.00 C ATOM 0 H LEU A 29 13.312 4.067 -17.012 1.00 0.00 H new ATOM 0 HA LEU A 29 14.853 1.724 -17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.507 4.707 -17.781 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.540 3.477 -18.482 1.00 0.00 H new ATOM 0 HG LEU A 29 13.621 3.541 -19.271 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.175 5.127 -21.095 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.413 5.880 -19.500 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.817 5.312 -20.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.576 2.680 -21.394 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.217 2.868 -20.731 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.097 1.688 -20.011 1.00 0.00 H new ATOM 875 N HIS A 30 15.939 3.563 -15.227 1.00 0.00 N ATOM 876 CA HIS A 30 16.837 3.482 -14.028 1.00 0.00 C ATOM 877 C HIS A 30 16.518 2.227 -13.193 1.00 0.00 C ATOM 878 O HIS A 30 17.390 1.706 -12.498 1.00 0.00 O ATOM 879 CB HIS A 30 16.659 4.726 -13.146 1.00 0.00 C ATOM 880 CG HIS A 30 17.883 4.916 -12.293 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.827 4.911 -10.909 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.203 5.119 -12.614 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.078 5.104 -10.451 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.956 5.237 -11.449 1.00 0.00 N ATOM 0 H HIS A 30 15.420 4.436 -15.324 1.00 0.00 H new ATOM 0 HA HIS A 30 17.866 3.426 -14.382 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.497 5.606 -13.769 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.777 4.614 -12.515 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.597 5.178 -13.618 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.340 5.146 -9.404 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.961 5.392 -11.374 1.00 0.00 H new ATOM 885 N ALA A 31 15.296 1.730 -13.224 1.00 0.00 N ATOM 886 CA ALA A 31 14.969 0.520 -12.405 1.00 0.00 C ATOM 887 C ALA A 31 15.443 -0.753 -13.123 1.00 0.00 C ATOM 888 O ALA A 31 16.373 -1.413 -12.671 1.00 0.00 O ATOM 889 CB ALA A 31 13.455 0.436 -12.170 1.00 0.00 C ATOM 0 H ALA A 31 14.525 2.107 -13.774 1.00 0.00 H new ATOM 0 HA ALA A 31 15.481 0.604 -11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.228 -0.448 -11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.119 1.328 -11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.941 0.368 -13.129 1.00 0.00 H new ATOM 890 N ILE A 32 14.806 -1.136 -14.211 1.00 0.00 N ATOM 891 CA ILE A 32 15.202 -2.383 -14.924 1.00 0.00 C ATOM 892 C ILE A 32 16.732 -2.506 -15.098 1.00 0.00 C ATOM 893 O ILE A 32 17.332 -3.489 -14.667 1.00 0.00 O ATOM 894 CB ILE A 32 14.529 -2.464 -16.307 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.404 -1.087 -17.008 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.140 -3.088 -16.162 1.00 0.00 C ATOM 897 CD1 ILE A 32 15.062 -1.147 -18.390 1.00 0.00 C ATOM 0 H ILE A 32 14.026 -0.630 -14.631 1.00 0.00 H new ATOM 0 HA ILE A 32 14.864 -3.210 -14.300 1.00 0.00 H new ATOM 0 HB ILE A 32 15.170 -3.083 -16.935 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.354 -0.813 -17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.879 -0.316 -16.402 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.663 -3.146 -17.140 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.233 -4.090 -15.744 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.532 -2.473 -15.498 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.971 -0.177 -18.879 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.116 -1.401 -18.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.567 -1.906 -18.996 1.00 0.00 H new ATOM 898 N PHE A 33 17.371 -1.560 -15.741 1.00 0.00 N ATOM 899 CA PHE A 33 18.854 -1.665 -15.959 1.00 0.00 C ATOM 900 C PHE A 33 19.609 -1.766 -14.621 1.00 0.00 C ATOM 901 O PHE A 33 20.621 -2.459 -14.529 1.00 0.00 O ATOM 902 CB PHE A 33 19.360 -0.437 -16.730 1.00 0.00 C ATOM 903 CG PHE A 33 18.896 -0.519 -18.166 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.134 -1.678 -18.915 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.227 0.565 -18.748 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.704 -1.752 -20.245 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.798 0.490 -20.078 1.00 0.00 C ATOM 908 CZ PHE A 33 18.036 -0.669 -20.827 1.00 0.00 C ATOM 0 H PHE A 33 16.935 -0.721 -16.124 1.00 0.00 H new ATOM 0 HA PHE A 33 19.042 -2.571 -16.536 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.986 0.476 -16.267 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.448 -0.392 -16.690 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.649 -2.515 -18.467 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.042 1.459 -18.171 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.888 -2.646 -20.823 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.283 1.326 -20.527 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.704 -0.727 -21.853 1.00 0.00 H new ATOM 909 N SER A 34 19.163 -1.087 -13.588 1.00 0.00 N ATOM 910 CA SER A 34 19.900 -1.160 -12.276 1.00 0.00 C ATOM 911 C SER A 34 19.911 -2.609 -11.740 1.00 0.00 C ATOM 912 O SER A 34 20.872 -3.030 -11.101 1.00 0.00 O ATOM 913 CB SER A 34 19.228 -0.250 -11.240 1.00 0.00 C ATOM 914 OG SER A 34 19.784 -0.507 -9.958 1.00 0.00 O ATOM 0 H SER A 34 18.334 -0.493 -13.592 1.00 0.00 H new ATOM 0 HA SER A 34 20.925 -0.830 -12.445 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.374 0.796 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.153 -0.429 -11.225 1.00 0.00 H new ATOM 0 HG SER A 34 19.358 0.074 -9.294 1.00 0.00 H new ATOM 915 N ARG A 35 18.859 -3.372 -11.963 1.00 0.00 N ATOM 916 CA ARG A 35 18.810 -4.783 -11.442 1.00 0.00 C ATOM 917 C ARG A 35 20.125 -5.539 -11.708 1.00 0.00 C ATOM 918 O ARG A 35 20.503 -6.416 -10.932 1.00 0.00 O ATOM 919 CB ARG A 35 17.666 -5.558 -12.124 1.00 0.00 C ATOM 920 CG ARG A 35 16.303 -4.985 -11.709 1.00 0.00 C ATOM 921 CD ARG A 35 16.155 -5.054 -10.189 1.00 0.00 C ATOM 922 NE ARG A 35 14.720 -4.909 -9.819 1.00 0.00 N ATOM 923 CZ ARG A 35 14.189 -5.710 -8.936 1.00 0.00 C ATOM 924 NH1 ARG A 35 14.267 -7.003 -9.099 1.00 0.00 N ATOM 925 NH2 ARG A 35 13.584 -5.218 -7.890 1.00 0.00 N ATOM 0 H ARG A 35 18.033 -3.078 -12.483 1.00 0.00 H new ATOM 0 HA ARG A 35 18.649 -4.720 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.776 -5.501 -13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 35 17.721 -6.612 -11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.214 -3.952 -12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 35 15.501 -5.547 -12.188 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.542 -6.003 -9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.743 -4.265 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 35 14.152 -4.183 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.743 -7.386 -9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.852 -7.630 -8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.526 -4.208 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.169 -5.844 -7.200 1.00 0.00 H new ATOM 926 N PHE A 36 20.816 -5.255 -12.789 1.00 0.00 N ATOM 927 CA PHE A 36 22.074 -6.008 -13.079 1.00 0.00 C ATOM 928 C PHE A 36 23.302 -5.229 -12.584 1.00 0.00 C ATOM 929 O PHE A 36 24.245 -5.820 -12.060 1.00 0.00 O ATOM 930 CB PHE A 36 22.189 -6.248 -14.594 1.00 0.00 C ATOM 931 CG PHE A 36 20.852 -6.687 -15.178 1.00 0.00 C ATOM 932 CD1 PHE A 36 19.941 -7.434 -14.409 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.526 -6.336 -16.493 1.00 0.00 C ATOM 934 CE1 PHE A 36 18.715 -7.825 -14.959 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.299 -6.730 -17.041 1.00 0.00 C ATOM 936 CZ PHE A 36 18.394 -7.473 -16.275 1.00 0.00 C ATOM 0 H PHE A 36 20.565 -4.542 -13.474 1.00 0.00 H new ATOM 0 HA PHE A 36 22.038 -6.963 -12.555 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.523 -5.335 -15.087 1.00 0.00 H new ATOM 0 HB3 PHE A 36 22.943 -7.010 -14.789 1.00 0.00 H new ATOM 0 HD1 PHE A 36 20.188 -7.706 -13.393 1.00 0.00 H new ATOM 0 HD2 PHE A 36 21.222 -5.761 -17.086 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.016 -8.398 -14.368 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.051 -6.460 -18.057 1.00 0.00 H new ATOM 0 HZ PHE A 36 17.448 -7.775 -16.699 1.00 0.00 H new ATOM 937 N GLY A 37 23.327 -3.923 -12.740 1.00 0.00 N ATOM 938 CA GLY A 37 24.517 -3.151 -12.273 1.00 0.00 C ATOM 939 C GLY A 37 24.081 -1.773 -11.759 1.00 0.00 C ATOM 940 O GLY A 37 22.890 -1.489 -11.648 1.00 0.00 O ATOM 0 H GLY A 37 22.584 -3.369 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.028 -3.699 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.229 -3.035 -13.090 1.00 0.00 H new ATOM 941 N GLN A 38 25.020 -0.904 -11.447 1.00 0.00 N ATOM 942 CA GLN A 38 24.642 0.451 -10.946 1.00 0.00 C ATOM 943 C GLN A 38 24.558 1.421 -12.130 1.00 0.00 C ATOM 944 O GLN A 38 25.373 1.364 -13.050 1.00 0.00 O ATOM 945 CB GLN A 38 25.696 0.952 -9.951 1.00 0.00 C ATOM 946 CG GLN A 38 25.087 2.045 -9.071 1.00 0.00 C ATOM 947 CD GLN A 38 25.995 2.290 -7.859 1.00 0.00 C ATOM 948 OE1 GLN A 38 25.993 1.506 -6.913 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.776 3.342 -7.829 1.00 0.00 N ATOM 0 H GLN A 38 26.023 -1.078 -11.519 1.00 0.00 H new ATOM 0 HA GLN A 38 23.676 0.394 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.049 0.127 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.561 1.342 -10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.971 2.965 -9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.092 1.748 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.781 3.996 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.379 3.507 -7.023 1.00 0.00 H new ATOM 950 N ILE A 39 23.591 2.312 -12.136 1.00 0.00 N ATOM 951 CA ILE A 39 23.472 3.273 -13.271 1.00 0.00 C ATOM 952 C ILE A 39 23.976 4.652 -12.823 1.00 0.00 C ATOM 953 O ILE A 39 23.638 5.123 -11.737 1.00 0.00 O ATOM 954 CB ILE A 39 22.006 3.377 -13.703 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.445 1.974 -13.953 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.910 4.195 -14.990 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.929 2.055 -14.136 1.00 0.00 C ATOM 0 H ILE A 39 22.885 2.411 -11.406 1.00 0.00 H new ATOM 0 HA ILE A 39 24.071 2.922 -14.111 1.00 0.00 H new ATOM 0 HB ILE A 39 21.432 3.865 -12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.906 1.539 -14.840 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.686 1.320 -13.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.867 4.269 -15.297 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.309 5.194 -14.816 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.486 3.706 -15.776 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.530 1.056 -14.314 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.476 2.472 -13.237 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.699 2.695 -14.988 1.00 0.00 H new ATOM 958 N LEU A 40 24.778 5.316 -13.630 1.00 0.00 N ATOM 959 CA LEU A 40 25.288 6.662 -13.224 1.00 0.00 C ATOM 960 C LEU A 40 24.225 7.727 -13.523 1.00 0.00 C ATOM 961 O LEU A 40 24.011 8.641 -12.728 1.00 0.00 O ATOM 962 CB LEU A 40 26.574 6.997 -13.992 1.00 0.00 C ATOM 963 CG LEU A 40 27.636 5.933 -13.707 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.788 6.086 -14.701 1.00 0.00 C ATOM 965 CD2 LEU A 40 28.166 6.109 -12.280 1.00 0.00 C ATOM 0 H LEU A 40 25.096 4.985 -14.541 1.00 0.00 H new ATOM 0 HA LEU A 40 25.505 6.648 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.369 7.043 -15.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.941 7.980 -13.695 1.00 0.00 H new ATOM 0 HG LEU A 40 27.195 4.942 -13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.546 5.329 -14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 28.412 5.961 -15.716 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.229 7.077 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.923 5.351 -12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 28.608 7.100 -12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 40 27.345 6.001 -11.571 1.00 0.00 H new ATOM 966 N ASP A 41 23.554 7.636 -14.650 1.00 0.00 N ATOM 967 CA ASP A 41 22.509 8.660 -14.973 1.00 0.00 C ATOM 968 C ASP A 41 21.822 8.323 -16.308 1.00 0.00 C ATOM 969 O ASP A 41 22.387 7.627 -17.150 1.00 0.00 O ATOM 970 CB ASP A 41 23.169 10.037 -15.078 1.00 0.00 C ATOM 971 CG ASP A 41 22.191 11.110 -14.596 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.085 11.289 -13.393 1.00 0.00 O ATOM 973 OD2 ASP A 41 21.565 11.734 -15.436 1.00 0.00 O ATOM 0 H ASP A 41 23.683 6.906 -15.351 1.00 0.00 H new ATOM 0 HA ASP A 41 21.760 8.663 -14.181 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.078 10.063 -14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.462 10.234 -16.109 1.00 0.00 H new ATOM 974 N ILE A 42 20.614 8.802 -16.522 1.00 0.00 N ATOM 975 CA ILE A 42 19.910 8.504 -17.802 1.00 0.00 C ATOM 976 C ILE A 42 19.538 9.823 -18.492 1.00 0.00 C ATOM 977 O ILE A 42 19.160 10.792 -17.834 1.00 0.00 O ATOM 978 CB ILE A 42 18.640 7.703 -17.513 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.003 6.441 -16.726 1.00 0.00 C ATOM 980 CG2 ILE A 42 17.979 7.303 -18.834 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.758 5.908 -16.014 1.00 0.00 C ATOM 0 H ILE A 42 20.093 9.383 -15.865 1.00 0.00 H new ATOM 0 HA ILE A 42 20.563 7.922 -18.452 1.00 0.00 H new ATOM 0 HB ILE A 42 17.950 8.313 -16.929 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.403 5.682 -17.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.783 6.665 -15.998 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.073 6.732 -18.629 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.723 8.199 -19.399 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.669 6.692 -19.416 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.016 5.009 -15.454 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.378 6.666 -15.329 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.992 5.668 -16.751 1.00 0.00 H new ATOM 982 N LEU A 43 19.638 9.891 -19.802 1.00 0.00 N ATOM 983 CA LEU A 43 19.291 11.157 -20.509 1.00 0.00 C ATOM 984 C LEU A 43 17.992 10.969 -21.307 1.00 0.00 C ATOM 985 O LEU A 43 17.850 10.011 -22.065 1.00 0.00 O ATOM 986 CB LEU A 43 20.425 11.532 -21.465 1.00 0.00 C ATOM 987 CG LEU A 43 21.421 12.440 -20.744 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.498 11.587 -20.073 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.076 13.380 -21.759 1.00 0.00 C ATOM 0 H LEU A 43 19.944 9.126 -20.404 1.00 0.00 H new ATOM 0 HA LEU A 43 19.151 11.951 -19.776 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.928 10.632 -21.820 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.023 12.040 -22.342 1.00 0.00 H new ATOM 0 HG LEU A 43 20.898 13.025 -19.987 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.208 12.235 -19.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.033 10.915 -19.352 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.022 11.002 -20.829 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.787 14.029 -21.248 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.599 12.793 -22.514 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.309 13.988 -22.239 1.00 0.00 H new ATOM 990 N VAL A 44 17.042 11.869 -21.162 1.00 0.00 N ATOM 991 CA VAL A 44 15.766 11.739 -21.924 1.00 0.00 C ATOM 992 C VAL A 44 15.359 13.120 -22.457 1.00 0.00 C ATOM 993 O VAL A 44 15.180 14.063 -21.688 1.00 0.00 O ATOM 994 CB VAL A 44 14.659 11.193 -21.014 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.928 9.719 -20.704 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.620 11.988 -19.705 1.00 0.00 C ATOM 0 H VAL A 44 17.100 12.683 -20.550 1.00 0.00 H new ATOM 0 HA VAL A 44 15.910 11.047 -22.754 1.00 0.00 H new ATOM 0 HB VAL A 44 13.700 11.290 -21.524 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.140 9.334 -20.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.946 9.149 -21.633 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.890 9.623 -20.201 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.831 11.595 -19.064 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.580 11.899 -19.196 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.421 13.037 -19.922 1.00 0.00 H new ATOM 997 N SER A 45 15.215 13.269 -23.757 1.00 0.00 N ATOM 998 CA SER A 45 14.826 14.597 -24.315 1.00 0.00 C ATOM 999 C SER A 45 13.404 14.520 -24.887 1.00 0.00 C ATOM 1000 O SER A 45 12.755 13.476 -24.819 1.00 0.00 O ATOM 1001 CB SER A 45 15.803 14.984 -25.426 1.00 0.00 C ATOM 1002 OG SER A 45 16.839 15.789 -24.880 1.00 0.00 O ATOM 0 H SER A 45 15.350 12.530 -24.447 1.00 0.00 H new ATOM 0 HA SER A 45 14.855 15.346 -23.524 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.225 14.089 -25.883 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.280 15.528 -26.213 1.00 0.00 H new ATOM 0 HG SER A 45 17.468 16.038 -25.589 1.00 0.00 H new ATOM 1003 N ARG A 46 12.898 15.597 -25.451 1.00 0.00 N ATOM 1004 CA ARG A 46 11.520 15.560 -26.018 1.00 0.00 C ATOM 1005 C ARG A 46 11.455 16.397 -27.307 1.00 0.00 C ATOM 1006 O ARG A 46 10.443 17.042 -27.582 1.00 0.00 O ATOM 1007 CB ARG A 46 10.533 16.128 -24.995 1.00 0.00 C ATOM 1008 CG ARG A 46 9.176 15.442 -25.158 1.00 0.00 C ATOM 1009 CD ARG A 46 8.085 16.305 -24.522 1.00 0.00 C ATOM 1010 NE ARG A 46 6.805 15.543 -24.490 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.067 15.551 -23.413 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.188 16.498 -23.232 1.00 0.00 N ATOM 1013 NH2 ARG A 46 6.208 14.611 -22.519 1.00 0.00 N ATOM 0 H ARG A 46 13.381 16.491 -25.540 1.00 0.00 H new ATOM 0 HA ARG A 46 11.259 14.527 -26.250 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.911 15.973 -23.985 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.427 17.204 -25.135 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.961 15.286 -26.215 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.196 14.458 -24.689 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.376 16.591 -23.511 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.958 17.227 -25.090 1.00 0.00 H new ATOM 0 HE ARG A 46 6.505 15.015 -25.310 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.078 17.232 -23.932 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.611 16.505 -22.391 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.895 13.870 -22.662 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.632 14.617 -21.677 1.00 0.00 H new ATOM 1014 N SER A 47 12.498 16.401 -28.112 1.00 0.00 N ATOM 1015 CA SER A 47 12.456 17.195 -29.375 1.00 0.00 C ATOM 1016 C SER A 47 12.029 16.274 -30.530 1.00 0.00 C ATOM 1017 O SER A 47 11.828 15.076 -30.333 1.00 0.00 O ATOM 1018 CB SER A 47 13.840 17.789 -29.662 1.00 0.00 C ATOM 1019 OG SER A 47 14.582 16.888 -30.473 1.00 0.00 O ATOM 0 H SER A 47 13.366 15.892 -27.946 1.00 0.00 H new ATOM 0 HA SER A 47 11.740 18.010 -29.274 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.738 18.750 -30.166 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.369 17.974 -28.727 1.00 0.00 H new ATOM 0 HG SER A 47 15.466 17.267 -30.659 1.00 0.00 H new ATOM 1020 N LEU A 48 11.873 16.798 -31.727 1.00 0.00 N ATOM 1021 CA LEU A 48 11.443 15.921 -32.870 1.00 0.00 C ATOM 1022 C LEU A 48 12.475 14.806 -33.098 1.00 0.00 C ATOM 1023 O LEU A 48 12.111 13.660 -33.360 1.00 0.00 O ATOM 1024 CB LEU A 48 11.306 16.750 -34.153 1.00 0.00 C ATOM 1025 CG LEU A 48 10.400 16.026 -35.146 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.639 17.061 -35.984 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.252 15.147 -36.064 1.00 0.00 C ATOM 0 H LEU A 48 12.022 17.780 -31.960 1.00 0.00 H new ATOM 0 HA LEU A 48 10.478 15.479 -32.620 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.893 17.731 -33.920 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.288 16.914 -34.597 1.00 0.00 H new ATOM 0 HG LEU A 48 9.688 15.401 -34.606 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.991 16.548 -36.695 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.035 17.687 -35.328 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.350 17.684 -36.526 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.607 14.629 -36.774 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.963 15.770 -36.607 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.794 14.415 -35.466 1.00 0.00 H new ATOM 1028 N LYS A 49 13.754 15.107 -33.013 1.00 0.00 N ATOM 1029 CA LYS A 49 14.783 14.039 -33.239 1.00 0.00 C ATOM 1030 C LYS A 49 14.842 13.105 -32.021 1.00 0.00 C ATOM 1031 O LYS A 49 14.992 11.893 -32.168 1.00 0.00 O ATOM 1032 CB LYS A 49 16.163 14.667 -33.464 1.00 0.00 C ATOM 1033 CG LYS A 49 16.101 15.626 -34.655 1.00 0.00 C ATOM 1034 CD LYS A 49 17.092 16.773 -34.440 1.00 0.00 C ATOM 1035 CE LYS A 49 16.592 18.022 -35.166 1.00 0.00 C ATOM 1036 NZ LYS A 49 16.965 17.943 -36.606 1.00 0.00 N ATOM 0 H LYS A 49 14.124 16.033 -32.800 1.00 0.00 H new ATOM 0 HA LYS A 49 14.502 13.468 -34.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.481 15.202 -32.569 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.903 13.888 -33.649 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.338 15.094 -35.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.091 16.020 -34.766 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.202 16.978 -33.375 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.077 16.492 -34.814 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.510 18.106 -35.064 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.025 18.915 -34.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.625 18.793 -37.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.000 17.882 -36.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.531 17.099 -37.031 1.00 0.00 H new ATOM 1037 N MET A 50 14.729 13.631 -30.819 1.00 0.00 N ATOM 1038 CA MET A 50 14.781 12.751 -29.613 1.00 0.00 C ATOM 1039 C MET A 50 13.351 12.367 -29.203 1.00 0.00 C ATOM 1040 O MET A 50 12.920 12.640 -28.083 1.00 0.00 O ATOM 1041 CB MET A 50 15.469 13.492 -28.458 1.00 0.00 C ATOM 1042 CG MET A 50 16.810 14.066 -28.928 1.00 0.00 C ATOM 1043 SD MET A 50 18.118 13.553 -27.786 1.00 0.00 S ATOM 1044 CE MET A 50 18.857 12.283 -28.843 1.00 0.00 C ATOM 0 H MET A 50 14.604 14.625 -30.627 1.00 0.00 H new ATOM 0 HA MET A 50 15.348 11.850 -29.845 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.827 14.295 -28.097 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.629 12.811 -27.622 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.034 13.717 -29.936 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.757 15.154 -28.972 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.791 11.938 -28.399 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.169 11.443 -28.939 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.057 12.702 -29.829 1.00 0.00 H new ATOM 1045 N ARG A 51 12.600 11.740 -30.084 1.00 0.00 N ATOM 1046 CA ARG A 51 11.205 11.351 -29.731 1.00 0.00 C ATOM 1047 C ARG A 51 11.119 9.822 -29.601 1.00 0.00 C ATOM 1048 O ARG A 51 11.389 9.094 -30.555 1.00 0.00 O ATOM 1049 CB ARG A 51 10.249 11.829 -30.833 1.00 0.00 C ATOM 1050 CG ARG A 51 9.051 12.551 -30.206 1.00 0.00 C ATOM 1051 CD ARG A 51 9.265 14.064 -30.284 1.00 0.00 C ATOM 1052 NE ARG A 51 7.947 14.744 -30.430 1.00 0.00 N ATOM 1053 CZ ARG A 51 7.413 15.352 -29.408 1.00 0.00 C ATOM 1054 NH1 ARG A 51 7.076 14.672 -28.347 1.00 0.00 N ATOM 1055 NH2 ARG A 51 7.215 16.642 -29.446 1.00 0.00 N ATOM 0 H ARG A 51 12.897 11.485 -31.026 1.00 0.00 H new ATOM 0 HA ARG A 51 10.925 11.811 -28.783 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.772 12.499 -31.515 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.905 10.979 -31.422 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.134 12.276 -30.727 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.931 12.244 -29.167 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.771 14.417 -29.386 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.908 14.308 -31.129 1.00 0.00 H new ATOM 0 HE ARG A 51 7.464 14.734 -31.328 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.230 13.664 -28.317 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.658 15.148 -27.548 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.478 17.174 -30.275 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.797 17.118 -28.646 1.00 0.00 H new ATOM 1056 N GLY A 52 10.746 9.316 -28.445 1.00 0.00 N ATOM 1057 CA GLY A 52 10.645 7.837 -28.277 1.00 0.00 C ATOM 1058 C GLY A 52 12.052 7.220 -28.240 1.00 0.00 C ATOM 1059 O GLY A 52 12.303 6.194 -28.871 1.00 0.00 O ATOM 0 H GLY A 52 10.510 9.864 -27.618 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.111 7.602 -27.357 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.071 7.407 -29.098 1.00 0.00 H new ATOM 1060 N GLN A 53 12.977 7.816 -27.517 1.00 0.00 N ATOM 1061 CA GLN A 53 14.358 7.241 -27.456 1.00 0.00 C ATOM 1062 C GLN A 53 15.115 7.812 -26.243 1.00 0.00 C ATOM 1063 O GLN A 53 14.986 8.992 -25.921 1.00 0.00 O ATOM 1064 CB GLN A 53 15.114 7.596 -28.739 1.00 0.00 C ATOM 1065 CG GLN A 53 15.093 9.111 -28.945 1.00 0.00 C ATOM 1066 CD GLN A 53 15.620 9.446 -30.345 1.00 0.00 C ATOM 1067 OE1 GLN A 53 14.850 9.511 -31.299 1.00 0.00 O ATOM 1068 NE2 GLN A 53 16.901 9.663 -30.526 1.00 0.00 N ATOM 0 H GLN A 53 12.835 8.667 -26.973 1.00 0.00 H new ATOM 0 HA GLN A 53 14.289 6.158 -27.356 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.143 7.242 -28.677 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.656 7.096 -29.593 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.078 9.490 -28.827 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.706 9.600 -28.188 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.544 9.610 -29.736 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.254 9.885 -31.457 1.00 0.00 H new ATOM 1069 N ALA A 54 15.899 7.005 -25.558 1.00 0.00 N ATOM 1070 CA ALA A 54 16.644 7.525 -24.372 1.00 0.00 C ATOM 1071 C ALA A 54 18.056 6.919 -24.329 1.00 0.00 C ATOM 1072 O ALA A 54 18.458 6.191 -25.233 1.00 0.00 O ATOM 1073 CB ALA A 54 15.891 7.146 -23.095 1.00 0.00 C ATOM 0 H ALA A 54 16.051 6.019 -25.770 1.00 0.00 H new ATOM 0 HA ALA A 54 16.723 8.610 -24.447 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.432 7.524 -22.228 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.892 7.583 -23.118 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.811 6.061 -23.028 1.00 0.00 H new ATOM 1074 N PHE A 55 18.824 7.205 -23.296 1.00 0.00 N ATOM 1075 CA PHE A 55 20.205 6.641 -23.209 1.00 0.00 C ATOM 1076 C PHE A 55 20.496 6.234 -21.757 1.00 0.00 C ATOM 1077 O PHE A 55 19.943 6.811 -20.822 1.00 0.00 O ATOM 1078 CB PHE A 55 21.219 7.704 -23.638 1.00 0.00 C ATOM 1079 CG PHE A 55 20.876 8.212 -25.017 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.828 9.124 -25.189 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.611 7.775 -26.124 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.513 9.597 -26.467 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.298 8.249 -27.403 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.249 9.160 -27.575 1.00 0.00 C ATOM 0 H PHE A 55 18.550 7.802 -22.516 1.00 0.00 H new ATOM 0 HA PHE A 55 20.283 5.772 -23.862 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.218 8.529 -22.926 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.224 7.283 -23.635 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.262 9.463 -24.334 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.420 7.072 -25.992 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.703 10.299 -26.599 1.00 0.00 H new ATOM 0 HE2 PHE A 55 21.866 7.912 -28.258 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.008 9.526 -28.562 1.00 0.00 H new ATOM 1085 N VAL A 56 21.358 5.264 -21.540 1.00 0.00 N ATOM 1086 CA VAL A 56 21.674 4.855 -20.137 1.00 0.00 C ATOM 1087 C VAL A 56 23.193 4.695 -19.988 1.00 0.00 C ATOM 1088 O VAL A 56 23.843 4.074 -20.827 1.00 0.00 O ATOM 1089 CB VAL A 56 20.988 3.526 -19.806 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.110 3.250 -18.306 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.507 3.596 -20.188 1.00 0.00 C ATOM 0 H VAL A 56 21.850 4.745 -22.268 1.00 0.00 H new ATOM 0 HA VAL A 56 21.311 5.621 -19.451 1.00 0.00 H new ATOM 0 HB VAL A 56 21.468 2.725 -20.368 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.622 2.304 -18.069 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.163 3.194 -18.031 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.632 4.055 -17.748 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.025 2.648 -19.950 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.025 4.398 -19.630 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.416 3.792 -21.256 1.00 0.00 H new ATOM 1092 N ILE A 57 23.779 5.239 -18.942 1.00 0.00 N ATOM 1093 CA ILE A 57 25.253 5.104 -18.765 1.00 0.00 C ATOM 1094 C ILE A 57 25.534 4.092 -17.648 1.00 0.00 C ATOM 1095 O ILE A 57 24.797 4.022 -16.665 1.00 0.00 O ATOM 1096 CB ILE A 57 25.848 6.463 -18.386 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.484 7.495 -19.456 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.371 6.345 -18.292 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.399 8.883 -18.817 1.00 0.00 C ATOM 0 H ILE A 57 23.299 5.765 -18.212 1.00 0.00 H new ATOM 0 HA ILE A 57 25.705 4.759 -19.695 1.00 0.00 H new ATOM 0 HB ILE A 57 25.447 6.779 -17.423 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.233 7.493 -20.248 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.531 7.236 -19.917 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.795 7.312 -18.022 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.633 5.609 -17.531 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.772 6.029 -19.255 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.140 9.619 -19.578 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.634 8.880 -18.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.362 9.140 -18.377 1.00 0.00 H new ATOM 1100 N PHE A 58 26.576 3.299 -17.771 1.00 0.00 N ATOM 1101 CA PHE A 58 26.872 2.301 -16.706 1.00 0.00 C ATOM 1102 C PHE A 58 28.327 2.448 -16.246 1.00 0.00 C ATOM 1103 O PHE A 58 29.225 2.689 -17.053 1.00 0.00 O ATOM 1104 CB PHE A 58 26.646 0.892 -17.253 1.00 0.00 C ATOM 1105 CG PHE A 58 25.178 0.705 -17.547 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.656 1.111 -18.780 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.338 0.128 -16.586 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.296 0.939 -19.055 1.00 0.00 C ATOM 1109 CE2 PHE A 58 22.977 -0.042 -16.861 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.455 0.362 -18.096 1.00 0.00 C ATOM 0 H PHE A 58 27.225 3.304 -18.558 1.00 0.00 H new ATOM 0 HA PHE A 58 26.210 2.472 -15.857 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.233 0.742 -18.159 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.982 0.149 -16.529 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.304 1.557 -19.520 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.741 -0.185 -15.634 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.894 1.251 -20.008 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.328 -0.485 -16.120 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.405 0.229 -18.308 1.00 0.00 H new ATOM 1111 N LYS A 59 28.584 2.315 -14.963 1.00 0.00 N ATOM 1112 CA LYS A 59 29.991 2.456 -14.463 1.00 0.00 C ATOM 1113 C LYS A 59 30.920 1.495 -15.225 1.00 0.00 C ATOM 1114 O LYS A 59 30.828 0.280 -15.077 1.00 0.00 O ATOM 1115 CB LYS A 59 30.057 2.135 -12.964 1.00 0.00 C ATOM 1116 CG LYS A 59 31.102 3.030 -12.293 1.00 0.00 C ATOM 1117 CD LYS A 59 31.008 2.876 -10.774 1.00 0.00 C ATOM 1118 CE LYS A 59 31.514 4.151 -10.098 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.778 4.362 -8.818 1.00 0.00 N ATOM 0 H LYS A 59 27.886 2.117 -14.246 1.00 0.00 H new ATOM 0 HA LYS A 59 30.314 3.484 -14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 59 29.081 2.291 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.314 1.086 -12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 59 32.101 2.760 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.939 4.070 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 59 29.976 2.682 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.599 2.020 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.584 4.073 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.370 5.007 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.122 5.229 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 29.761 4.454 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.937 3.550 -8.188 1.00 0.00 H new ATOM 1120 N GLU A 60 31.822 2.019 -16.034 1.00 0.00 N ATOM 1121 CA GLU A 60 32.769 1.146 -16.800 1.00 0.00 C ATOM 1122 C GLU A 60 32.014 0.372 -17.889 1.00 0.00 C ATOM 1123 O GLU A 60 30.874 -0.045 -17.693 1.00 0.00 O ATOM 1124 CB GLU A 60 33.463 0.155 -15.857 1.00 0.00 C ATOM 1125 CG GLU A 60 34.644 -0.495 -16.581 1.00 0.00 C ATOM 1126 CD GLU A 60 35.701 0.566 -16.890 1.00 0.00 C ATOM 1127 OE1 GLU A 60 36.369 0.996 -15.963 1.00 0.00 O ATOM 1128 OE2 GLU A 60 35.827 0.931 -18.047 1.00 0.00 O ATOM 0 H GLU A 60 31.939 3.020 -16.194 1.00 0.00 H new ATOM 0 HA GLU A 60 33.521 1.782 -17.266 1.00 0.00 H new ATOM 0 HB2 GLU A 60 33.810 0.671 -14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.757 -0.609 -15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 60 35.074 -1.283 -15.962 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.304 -0.965 -17.504 1.00 0.00 H new ATOM 1129 N VAL A 61 32.631 0.161 -19.036 1.00 0.00 N ATOM 1130 CA VAL A 61 31.934 -0.597 -20.122 1.00 0.00 C ATOM 1131 C VAL A 61 31.784 -2.064 -19.686 1.00 0.00 C ATOM 1132 O VAL A 61 32.709 -2.865 -19.812 1.00 0.00 O ATOM 1133 CB VAL A 61 32.732 -0.509 -21.438 1.00 0.00 C ATOM 1134 CG1 VAL A 61 34.142 -1.083 -21.243 1.00 0.00 C ATOM 1135 CG2 VAL A 61 32.000 -1.293 -22.534 1.00 0.00 C ATOM 0 H VAL A 61 33.574 0.478 -19.260 1.00 0.00 H new ATOM 0 HA VAL A 61 30.949 -0.163 -20.295 1.00 0.00 H new ATOM 0 HB VAL A 61 32.817 0.537 -21.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 34.695 -1.015 -22.180 1.00 0.00 H new ATOM 0 HG12 VAL A 61 34.663 -0.515 -20.472 1.00 0.00 H new ATOM 0 HG13 VAL A 61 34.071 -2.127 -20.939 1.00 0.00 H new ATOM 0 HG21 VAL A 61 32.564 -1.231 -23.464 1.00 0.00 H new ATOM 0 HG22 VAL A 61 31.908 -2.337 -22.235 1.00 0.00 H new ATOM 0 HG23 VAL A 61 31.007 -0.869 -22.683 1.00 0.00 H new ATOM 1136 N SER A 62 30.634 -2.432 -19.168 1.00 0.00 N ATOM 1137 CA SER A 62 30.432 -3.849 -18.720 1.00 0.00 C ATOM 1138 C SER A 62 29.012 -4.010 -18.151 1.00 0.00 C ATOM 1139 O SER A 62 28.275 -4.915 -18.542 1.00 0.00 O ATOM 1140 CB SER A 62 31.457 -4.196 -17.640 1.00 0.00 C ATOM 1141 OG SER A 62 31.848 -3.009 -16.964 1.00 0.00 O ATOM 0 H SER A 62 29.831 -1.817 -19.037 1.00 0.00 H new ATOM 0 HA SER A 62 30.561 -4.519 -19.570 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.030 -4.907 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.327 -4.676 -18.089 1.00 0.00 H new ATOM 0 HG SER A 62 32.504 -3.229 -16.270 1.00 0.00 H new ATOM 1142 N SER A 63 28.606 -3.143 -17.245 1.00 0.00 N ATOM 1143 CA SER A 63 27.222 -3.256 -16.686 1.00 0.00 C ATOM 1144 C SER A 63 26.209 -3.101 -17.836 1.00 0.00 C ATOM 1145 O SER A 63 25.187 -3.785 -17.868 1.00 0.00 O ATOM 1146 CB SER A 63 26.974 -2.169 -15.631 1.00 0.00 C ATOM 1147 OG SER A 63 26.945 -2.765 -14.342 1.00 0.00 O ATOM 0 H SER A 63 29.167 -2.375 -16.876 1.00 0.00 H new ATOM 0 HA SER A 63 27.106 -4.230 -16.210 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.759 -1.414 -15.678 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.031 -1.660 -15.831 1.00 0.00 H new ATOM 0 HG SER A 63 27.109 -2.080 -13.661 1.00 0.00 H new ATOM 1148 N ALA A 64 26.474 -2.233 -18.796 1.00 0.00 N ATOM 1149 CA ALA A 64 25.521 -2.079 -19.937 1.00 0.00 C ATOM 1150 C ALA A 64 25.626 -3.306 -20.855 1.00 0.00 C ATOM 1151 O ALA A 64 24.656 -3.681 -21.509 1.00 0.00 O ATOM 1152 CB ALA A 64 25.845 -0.811 -20.745 1.00 0.00 C ATOM 0 H ALA A 64 27.300 -1.635 -18.833 1.00 0.00 H new ATOM 0 HA ALA A 64 24.509 -1.994 -19.540 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.140 -0.716 -21.571 1.00 0.00 H new ATOM 0 HB2 ALA A 64 25.765 0.063 -20.098 1.00 0.00 H new ATOM 0 HB3 ALA A 64 26.859 -0.880 -21.139 1.00 0.00 H new ATOM 1153 N THR A 65 26.781 -3.939 -20.930 1.00 0.00 N ATOM 1154 CA THR A 65 26.912 -5.129 -21.821 1.00 0.00 C ATOM 1155 C THR A 65 25.893 -6.201 -21.406 1.00 0.00 C ATOM 1156 O THR A 65 25.255 -6.825 -22.255 1.00 0.00 O ATOM 1157 CB THR A 65 28.334 -5.716 -21.730 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.293 -4.660 -21.585 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.638 -6.535 -22.991 1.00 0.00 C ATOM 0 H THR A 65 27.624 -3.682 -20.417 1.00 0.00 H new ATOM 0 HA THR A 65 26.722 -4.817 -22.848 1.00 0.00 H new ATOM 0 HB THR A 65 28.396 -6.368 -20.859 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.198 -5.023 -21.686 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.644 -6.948 -22.923 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.917 -7.348 -23.079 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.569 -5.892 -23.868 1.00 0.00 H new ATOM 1160 N ASN A 66 25.724 -6.435 -20.122 1.00 0.00 N ATOM 1161 CA ASN A 66 24.742 -7.477 -19.683 1.00 0.00 C ATOM 1162 C ASN A 66 23.311 -6.956 -19.880 1.00 0.00 C ATOM 1163 O ASN A 66 22.432 -7.684 -20.328 1.00 0.00 O ATOM 1164 CB ASN A 66 24.976 -7.842 -18.206 1.00 0.00 C ATOM 1165 CG ASN A 66 24.571 -6.695 -17.266 1.00 0.00 C ATOM 1166 OD1 ASN A 66 23.387 -6.408 -17.109 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.493 -6.023 -16.619 1.00 0.00 N ATOM 0 H ASN A 66 26.218 -5.955 -19.370 1.00 0.00 H new ATOM 0 HA ASN A 66 24.881 -8.373 -20.287 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.404 -8.736 -17.957 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.028 -8.084 -18.053 1.00 0.00 H new ATOM 0 HD21 ASN A 66 25.225 -5.267 -15.989 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.478 -6.257 -16.745 1.00 0.00 H new ATOM 1168 N ALA A 67 23.063 -5.715 -19.552 1.00 0.00 N ATOM 1169 CA ALA A 67 21.678 -5.154 -19.724 1.00 0.00 C ATOM 1170 C ALA A 67 21.190 -5.329 -21.178 1.00 0.00 C ATOM 1171 O ALA A 67 19.986 -5.396 -21.423 1.00 0.00 O ATOM 1172 CB ALA A 67 21.666 -3.660 -19.377 1.00 0.00 C ATOM 0 H ALA A 67 23.751 -5.064 -19.174 1.00 0.00 H new ATOM 0 HA ALA A 67 21.013 -5.698 -19.054 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.658 -3.265 -19.505 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.980 -3.524 -18.342 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.351 -3.128 -20.037 1.00 0.00 H new ATOM 1173 N LEU A 68 22.077 -5.389 -22.152 1.00 0.00 N ATOM 1174 CA LEU A 68 21.618 -5.538 -23.571 1.00 0.00 C ATOM 1175 C LEU A 68 21.422 -7.024 -23.914 1.00 0.00 C ATOM 1176 O LEU A 68 20.363 -7.424 -24.394 1.00 0.00 O ATOM 1177 CB LEU A 68 22.666 -4.935 -24.515 1.00 0.00 C ATOM 1178 CG LEU A 68 21.975 -4.345 -25.747 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.703 -3.069 -26.178 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.013 -5.362 -26.889 1.00 0.00 C ATOM 0 H LEU A 68 23.088 -5.341 -22.024 1.00 0.00 H new ATOM 0 HA LEU A 68 20.669 -5.016 -23.690 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.232 -4.160 -23.998 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.379 -5.701 -24.819 1.00 0.00 H new ATOM 0 HG LEU A 68 20.939 -4.109 -25.504 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.212 -2.648 -27.055 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.678 -2.343 -25.365 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.739 -3.306 -26.421 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.521 -4.942 -27.766 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.049 -5.598 -27.132 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.496 -6.272 -26.584 1.00 0.00 H new ATOM 1181 N ARG A 69 22.421 -7.853 -23.695 1.00 0.00 N ATOM 1182 CA ARG A 69 22.275 -9.313 -24.032 1.00 0.00 C ATOM 1183 C ARG A 69 20.970 -9.895 -23.447 1.00 0.00 C ATOM 1184 O ARG A 69 20.399 -10.828 -24.010 1.00 0.00 O ATOM 1185 CB ARG A 69 23.468 -10.102 -23.474 1.00 0.00 C ATOM 1186 CG ARG A 69 24.707 -9.851 -24.345 1.00 0.00 C ATOM 1187 CD ARG A 69 25.898 -9.471 -23.460 1.00 0.00 C ATOM 1188 NE ARG A 69 26.727 -10.680 -23.195 1.00 0.00 N ATOM 1189 CZ ARG A 69 28.029 -10.592 -23.199 1.00 0.00 C ATOM 1190 NH1 ARG A 69 28.683 -10.637 -24.328 1.00 0.00 N ATOM 1191 NH2 ARG A 69 28.678 -10.460 -22.074 1.00 0.00 N ATOM 0 H ARG A 69 23.323 -7.586 -23.301 1.00 0.00 H new ATOM 0 HA ARG A 69 22.243 -9.402 -25.118 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.667 -9.800 -22.446 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.235 -11.167 -23.454 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.943 -10.744 -24.923 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.504 -9.053 -25.059 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.499 -8.705 -23.950 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.545 -9.046 -22.520 1.00 0.00 H new ATOM 0 HE ARG A 69 26.277 -11.577 -23.010 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.176 -10.741 -25.207 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.701 -10.568 -24.331 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.167 -10.426 -21.192 1.00 0.00 H new ATOM 0 HH22 ARG A 69 29.696 -10.391 -22.077 1.00 0.00 H new ATOM 1192 N SER A 70 20.490 -9.386 -22.333 1.00 0.00 N ATOM 1193 CA SER A 70 19.236 -9.943 -21.737 1.00 0.00 C ATOM 1194 C SER A 70 18.002 -9.154 -22.214 1.00 0.00 C ATOM 1195 O SER A 70 16.911 -9.715 -22.320 1.00 0.00 O ATOM 1196 CB SER A 70 19.315 -9.874 -20.209 1.00 0.00 C ATOM 1197 OG SER A 70 18.608 -10.974 -19.653 1.00 0.00 O ATOM 0 H SER A 70 20.911 -8.614 -21.816 1.00 0.00 H new ATOM 0 HA SER A 70 19.137 -10.979 -22.060 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.356 -9.895 -19.886 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.889 -8.936 -19.853 1.00 0.00 H new ATOM 0 HG SER A 70 18.658 -10.934 -18.675 1.00 0.00 H new ATOM 1198 N MET A 71 18.130 -7.873 -22.498 1.00 0.00 N ATOM 1199 CA MET A 71 16.938 -7.095 -22.954 1.00 0.00 C ATOM 1200 C MET A 71 16.963 -6.919 -24.483 1.00 0.00 C ATOM 1201 O MET A 71 16.508 -5.901 -25.000 1.00 0.00 O ATOM 1202 CB MET A 71 16.944 -5.717 -22.287 1.00 0.00 C ATOM 1203 CG MET A 71 16.462 -5.844 -20.841 1.00 0.00 C ATOM 1204 SD MET A 71 15.877 -4.235 -20.256 1.00 0.00 S ATOM 1205 CE MET A 71 14.135 -4.684 -20.056 1.00 0.00 C ATOM 0 H MET A 71 18.999 -7.343 -22.433 1.00 0.00 H new ATOM 0 HA MET A 71 16.036 -7.640 -22.675 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.949 -5.295 -22.310 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.298 -5.033 -22.837 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.660 -6.580 -20.777 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.273 -6.201 -20.206 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.542 -3.782 -19.904 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.787 -5.200 -20.951 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.025 -5.340 -19.193 1.00 0.00 H new ATOM 1206 N GLN A 72 17.468 -7.886 -25.224 1.00 0.00 N ATOM 1207 CA GLN A 72 17.488 -7.736 -26.716 1.00 0.00 C ATOM 1208 C GLN A 72 16.044 -7.765 -27.233 1.00 0.00 C ATOM 1209 O GLN A 72 15.459 -8.833 -27.406 1.00 0.00 O ATOM 1210 CB GLN A 72 18.283 -8.881 -27.360 1.00 0.00 C ATOM 1211 CG GLN A 72 19.717 -8.421 -27.626 1.00 0.00 C ATOM 1212 CD GLN A 72 19.800 -7.786 -29.020 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.944 -8.491 -30.015 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.716 -6.484 -29.152 1.00 0.00 N ATOM 0 H GLN A 72 17.860 -8.757 -24.865 1.00 0.00 H new ATOM 0 HA GLN A 72 17.965 -6.791 -26.977 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.285 -9.751 -26.703 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.809 -9.187 -28.293 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.026 -7.701 -26.868 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.400 -9.268 -27.559 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.596 -5.895 -28.328 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.770 -6.061 -30.078 1.00 0.00 H new ATOM 1215 N GLY A 73 15.446 -6.617 -27.474 1.00 0.00 N ATOM 1216 CA GLY A 73 14.038 -6.602 -27.963 1.00 0.00 C ATOM 1217 C GLY A 73 13.106 -6.958 -26.797 1.00 0.00 C ATOM 1218 O GLY A 73 12.572 -8.065 -26.734 1.00 0.00 O ATOM 0 H GLY A 73 15.874 -5.699 -27.352 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.787 -5.619 -28.360 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.914 -7.316 -28.777 1.00 0.00 H new ATOM 1219 N PHE A 74 12.906 -6.054 -25.862 1.00 0.00 N ATOM 1220 CA PHE A 74 12.018 -6.367 -24.703 1.00 0.00 C ATOM 1221 C PHE A 74 10.808 -5.416 -24.701 1.00 0.00 C ATOM 1222 O PHE A 74 10.781 -4.453 -25.463 1.00 0.00 O ATOM 1223 CB PHE A 74 12.808 -6.194 -23.401 1.00 0.00 C ATOM 1224 CG PHE A 74 13.159 -7.550 -22.833 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.838 -8.485 -23.623 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.805 -7.870 -21.517 1.00 0.00 C ATOM 1227 CE1 PHE A 74 14.164 -9.741 -23.097 1.00 0.00 C ATOM 1228 CE2 PHE A 74 13.131 -9.126 -20.991 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.810 -10.062 -21.781 1.00 0.00 C ATOM 0 H PHE A 74 13.318 -5.121 -25.855 1.00 0.00 H new ATOM 0 HA PHE A 74 11.664 -7.395 -24.785 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.716 -5.622 -23.589 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.219 -5.628 -22.679 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.110 -8.238 -24.638 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.281 -7.149 -20.908 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.688 -10.462 -23.706 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.859 -9.373 -19.976 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.060 -11.031 -21.375 1.00 0.00 H new ATOM 1230 N PRO A 75 9.831 -5.696 -23.850 1.00 0.00 N ATOM 1231 CA PRO A 75 8.619 -4.863 -23.753 1.00 0.00 C ATOM 1232 C PRO A 75 8.902 -3.589 -22.942 1.00 0.00 C ATOM 1233 O PRO A 75 9.695 -3.601 -22.002 1.00 0.00 O ATOM 1234 CB PRO A 75 7.617 -5.762 -23.021 1.00 0.00 C ATOM 1235 CG PRO A 75 8.451 -6.808 -22.247 1.00 0.00 C ATOM 1236 CD PRO A 75 9.836 -6.853 -22.919 1.00 0.00 C ATOM 0 HA PRO A 75 8.254 -4.529 -24.725 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.998 -5.178 -22.340 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.944 -6.248 -23.727 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.539 -6.532 -21.196 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.972 -7.787 -22.281 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.637 -6.769 -22.185 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.989 -7.791 -23.452 1.00 0.00 H new ATOM 1237 N PHE A 76 8.272 -2.486 -23.285 1.00 0.00 N ATOM 1238 CA PHE A 76 8.514 -1.219 -22.528 1.00 0.00 C ATOM 1239 C PHE A 76 7.420 -0.194 -22.873 1.00 0.00 C ATOM 1240 O PHE A 76 7.287 0.215 -24.026 1.00 0.00 O ATOM 1241 CB PHE A 76 9.887 -0.657 -22.914 1.00 0.00 C ATOM 1242 CG PHE A 76 10.604 -0.162 -21.679 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.757 -1.006 -20.571 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.119 1.139 -21.642 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.423 -0.549 -19.429 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.785 1.597 -20.499 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.937 0.754 -19.393 1.00 0.00 C ATOM 0 H PHE A 76 7.605 -2.412 -24.053 1.00 0.00 H new ATOM 0 HA PHE A 76 8.489 -1.422 -21.457 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.480 -1.428 -23.406 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.769 0.158 -23.628 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.360 -2.010 -20.599 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.002 1.790 -22.496 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.541 -1.200 -18.575 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.181 2.601 -20.471 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.451 1.108 -18.511 1.00 0.00 H new ATOM 1248 N TYR A 77 6.628 0.223 -21.909 1.00 0.00 N ATOM 1249 CA TYR A 77 5.550 1.211 -22.202 1.00 0.00 C ATOM 1250 C TYR A 77 4.597 0.641 -23.265 1.00 0.00 C ATOM 1251 O TYR A 77 4.161 1.352 -24.169 1.00 0.00 O ATOM 1252 CB TYR A 77 6.175 2.512 -22.700 1.00 0.00 C ATOM 1253 CG TYR A 77 6.875 3.173 -21.544 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.140 2.729 -21.150 1.00 0.00 C ATOM 1255 CD2 TYR A 77 6.252 4.217 -20.857 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.786 3.330 -20.066 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.897 4.824 -19.774 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.165 4.380 -19.378 1.00 0.00 C ATOM 1259 OH TYR A 77 8.797 4.970 -18.305 1.00 0.00 O ATOM 0 H TYR A 77 6.686 -0.080 -20.937 1.00 0.00 H new ATOM 0 HA TYR A 77 4.983 1.412 -21.293 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.881 2.310 -23.506 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.407 3.171 -23.106 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.619 1.921 -21.683 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.273 4.556 -21.162 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.762 2.985 -19.759 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.418 5.634 -19.244 1.00 0.00 H new ATOM 0 HH TYR A 77 8.638 4.437 -17.498 1.00 0.00 H new ATOM 1260 N ASP A 78 4.256 -0.628 -23.173 1.00 0.00 N ATOM 1261 CA ASP A 78 3.325 -1.228 -24.173 1.00 0.00 C ATOM 1262 C ASP A 78 3.898 -1.066 -25.591 1.00 0.00 C ATOM 1263 O ASP A 78 3.302 -0.402 -26.438 1.00 0.00 O ATOM 1264 CB ASP A 78 1.967 -0.528 -24.083 1.00 0.00 C ATOM 1265 CG ASP A 78 0.911 -1.369 -24.801 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.344 -2.242 -24.165 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.686 -1.127 -25.976 1.00 0.00 O ATOM 0 H ASP A 78 4.584 -1.267 -22.449 1.00 0.00 H new ATOM 0 HA ASP A 78 3.205 -2.290 -23.960 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.687 -0.387 -23.039 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.026 0.463 -24.533 1.00 0.00 H new ATOM 1268 N LYS A 79 5.037 -1.663 -25.876 1.00 0.00 N ATOM 1269 CA LYS A 79 5.618 -1.533 -27.252 1.00 0.00 C ATOM 1270 C LYS A 79 6.947 -2.317 -27.348 1.00 0.00 C ATOM 1271 O LYS A 79 7.713 -2.331 -26.389 1.00 0.00 O ATOM 1272 CB LYS A 79 5.884 -0.056 -27.556 1.00 0.00 C ATOM 1273 CG LYS A 79 5.616 0.220 -29.035 1.00 0.00 C ATOM 1274 CD LYS A 79 5.212 1.684 -29.217 1.00 0.00 C ATOM 1275 CE LYS A 79 5.584 2.145 -30.628 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.092 1.150 -31.622 1.00 0.00 N ATOM 0 H LYS A 79 5.581 -2.227 -25.223 1.00 0.00 H new ATOM 0 HA LYS A 79 4.909 -1.940 -27.973 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.245 0.574 -26.937 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.915 0.196 -27.310 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.507 0.002 -29.624 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.825 -0.435 -29.400 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.140 1.799 -29.056 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.714 2.306 -28.476 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.147 3.123 -30.830 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.665 2.256 -30.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.016 1.601 -32.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.759 0.354 -31.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.157 0.800 -31.329 1.00 0.00 H new ATOM 1277 N PRO A 80 7.209 -2.944 -28.486 1.00 0.00 N ATOM 1278 CA PRO A 80 8.453 -3.711 -28.678 1.00 0.00 C ATOM 1279 C PRO A 80 9.617 -2.753 -28.972 1.00 0.00 C ATOM 1280 O PRO A 80 9.481 -1.835 -29.780 1.00 0.00 O ATOM 1281 CB PRO A 80 8.154 -4.597 -29.889 1.00 0.00 C ATOM 1282 CG PRO A 80 7.008 -3.907 -30.665 1.00 0.00 C ATOM 1283 CD PRO A 80 6.314 -2.956 -29.673 1.00 0.00 C ATOM 0 HA PRO A 80 8.742 -4.291 -27.802 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.038 -4.706 -30.518 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.861 -5.599 -29.574 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.397 -3.357 -31.522 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.304 -4.644 -31.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.199 -1.957 -30.094 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.316 -3.310 -29.415 1.00 0.00 H new ATOM 1284 N MET A 81 10.755 -2.935 -28.338 1.00 0.00 N ATOM 1285 CA MET A 81 11.899 -2.014 -28.599 1.00 0.00 C ATOM 1286 C MET A 81 13.225 -2.789 -28.569 1.00 0.00 C ATOM 1287 O MET A 81 13.506 -3.533 -27.628 1.00 0.00 O ATOM 1288 CB MET A 81 11.928 -0.907 -27.538 1.00 0.00 C ATOM 1289 CG MET A 81 11.817 -1.515 -26.137 1.00 0.00 C ATOM 1290 SD MET A 81 12.350 -0.297 -24.909 1.00 0.00 S ATOM 1291 CE MET A 81 13.466 -1.382 -23.986 1.00 0.00 C ATOM 0 H MET A 81 10.935 -3.675 -27.659 1.00 0.00 H new ATOM 0 HA MET A 81 11.771 -1.569 -29.586 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.853 -0.336 -27.623 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.107 -0.210 -27.706 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.789 -1.819 -25.941 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.433 -2.411 -26.068 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.916 -0.826 -23.163 1.00 0.00 H new ATOM 0 HE2 MET A 81 12.905 -2.228 -23.588 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.250 -1.747 -24.649 1.00 0.00 H new ATOM 1292 N ARG A 82 14.057 -2.622 -29.577 1.00 0.00 N ATOM 1293 CA ARG A 82 15.368 -3.338 -29.591 1.00 0.00 C ATOM 1294 C ARG A 82 16.430 -2.426 -28.963 1.00 0.00 C ATOM 1295 O ARG A 82 16.344 -1.203 -29.065 1.00 0.00 O ATOM 1296 CB ARG A 82 15.766 -3.693 -31.033 1.00 0.00 C ATOM 1297 CG ARG A 82 15.919 -2.417 -31.877 1.00 0.00 C ATOM 1298 CD ARG A 82 14.770 -2.321 -32.887 1.00 0.00 C ATOM 1299 NE ARG A 82 15.048 -3.224 -34.040 1.00 0.00 N ATOM 1300 CZ ARG A 82 15.274 -2.721 -35.223 1.00 0.00 C ATOM 1301 NH1 ARG A 82 16.081 -1.704 -35.357 1.00 0.00 N ATOM 1302 NH2 ARG A 82 14.693 -3.235 -36.272 1.00 0.00 N ATOM 0 H ARG A 82 13.881 -2.023 -30.384 1.00 0.00 H new ATOM 0 HA ARG A 82 15.287 -4.263 -29.021 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.703 -4.250 -31.032 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.010 -4.341 -31.476 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.920 -1.540 -31.230 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.875 -2.429 -32.400 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.829 -2.599 -32.412 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.661 -1.293 -33.234 1.00 0.00 H new ATOM 0 HE ARG A 82 15.062 -4.235 -33.904 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.535 -1.302 -34.537 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.257 -1.311 -36.282 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.062 -4.030 -36.168 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.869 -2.842 -37.197 1.00 0.00 H new ATOM 1303 N ILE A 83 17.419 -2.984 -28.302 1.00 0.00 N ATOM 1304 CA ILE A 83 18.454 -2.122 -27.665 1.00 0.00 C ATOM 1305 C ILE A 83 19.761 -2.166 -28.470 1.00 0.00 C ATOM 1306 O ILE A 83 20.225 -3.229 -28.877 1.00 0.00 O ATOM 1307 CB ILE A 83 18.712 -2.609 -26.240 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.389 -2.631 -25.473 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.692 -1.664 -25.539 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.609 -3.256 -24.097 1.00 0.00 C ATOM 0 H ILE A 83 17.549 -3.988 -28.180 1.00 0.00 H new ATOM 0 HA ILE A 83 18.093 -1.094 -27.644 1.00 0.00 H new ATOM 0 HB ILE A 83 19.140 -3.611 -26.269 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.001 -1.618 -25.366 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.644 -3.201 -26.028 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.873 -2.015 -24.523 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.633 -1.643 -26.089 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.269 -0.660 -25.506 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.666 -3.272 -23.550 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.977 -4.275 -24.215 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.340 -2.668 -23.543 1.00 0.00 H new ATOM 1311 N GLN A 84 20.372 -1.024 -28.695 1.00 0.00 N ATOM 1312 CA GLN A 84 21.652 -0.986 -29.455 1.00 0.00 C ATOM 1313 C GLN A 84 22.625 -0.074 -28.697 1.00 0.00 C ATOM 1314 O GLN A 84 22.222 0.957 -28.166 1.00 0.00 O ATOM 1315 CB GLN A 84 21.414 -0.410 -30.857 1.00 0.00 C ATOM 1316 CG GLN A 84 20.247 -1.133 -31.539 1.00 0.00 C ATOM 1317 CD GLN A 84 19.617 -0.205 -32.587 1.00 0.00 C ATOM 1318 OE1 GLN A 84 19.569 -0.543 -33.767 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.126 0.956 -32.222 1.00 0.00 N ATOM 0 H GLN A 84 20.032 -0.115 -28.380 1.00 0.00 H new ATOM 0 HA GLN A 84 22.058 -1.993 -29.552 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.199 0.656 -30.788 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.317 -0.515 -31.459 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.599 -2.049 -32.013 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.502 -1.423 -30.799 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.164 1.241 -31.243 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.707 1.574 -32.917 1.00 0.00 H new ATOM 1320 N TYR A 85 23.894 -0.419 -28.623 1.00 0.00 N ATOM 1321 CA TYR A 85 24.858 0.461 -27.878 1.00 0.00 C ATOM 1322 C TYR A 85 24.744 1.908 -28.390 1.00 0.00 C ATOM 1323 O TYR A 85 23.994 2.183 -29.326 1.00 0.00 O ATOM 1324 CB TYR A 85 26.297 -0.032 -28.074 1.00 0.00 C ATOM 1325 CG TYR A 85 26.528 -1.257 -27.225 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.254 -1.224 -25.849 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.016 -2.431 -27.811 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.468 -2.362 -25.066 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.230 -3.570 -27.027 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.955 -3.537 -25.657 1.00 0.00 C ATOM 1331 OH TYR A 85 27.168 -4.661 -24.888 1.00 0.00 O ATOM 0 H TYR A 85 24.298 -1.258 -29.039 1.00 0.00 H new ATOM 0 HA TYR A 85 24.611 0.424 -26.817 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.473 -0.266 -29.124 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.002 0.752 -27.799 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.878 -0.319 -25.395 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.228 -2.458 -28.870 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.259 -2.336 -24.007 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.608 -4.475 -27.480 1.00 0.00 H new ATOM 0 HH TYR A 85 27.354 -5.426 -25.471 1.00 0.00 H new ATOM 1332 N ALA A 86 25.465 2.838 -27.803 1.00 0.00 N ATOM 1333 CA ALA A 86 25.374 4.253 -28.276 1.00 0.00 C ATOM 1334 C ALA A 86 26.326 4.454 -29.463 1.00 0.00 C ATOM 1335 O ALA A 86 27.032 3.528 -29.863 1.00 0.00 O ATOM 1336 CB ALA A 86 25.757 5.213 -27.142 1.00 0.00 C ATOM 0 H ALA A 86 26.105 2.678 -27.025 1.00 0.00 H new ATOM 0 HA ALA A 86 24.350 4.462 -28.586 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.688 6.241 -27.497 1.00 0.00 H new ATOM 0 HB2 ALA A 86 25.078 5.072 -26.301 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.778 5.008 -26.821 1.00 0.00 H new ATOM 1337 N LYS A 87 26.370 5.637 -30.037 1.00 0.00 N ATOM 1338 CA LYS A 87 27.291 5.863 -31.192 1.00 0.00 C ATOM 1339 C LYS A 87 28.689 6.209 -30.662 1.00 0.00 C ATOM 1340 O LYS A 87 29.686 5.629 -31.089 1.00 0.00 O ATOM 1341 CB LYS A 87 26.784 7.019 -32.067 1.00 0.00 C ATOM 1342 CG LYS A 87 25.308 6.806 -32.427 1.00 0.00 C ATOM 1343 CD LYS A 87 25.138 5.503 -33.217 1.00 0.00 C ATOM 1344 CE LYS A 87 24.165 5.724 -34.377 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.851 6.477 -35.465 1.00 0.00 N ATOM 0 H LYS A 87 25.813 6.445 -29.757 1.00 0.00 H new ATOM 0 HA LYS A 87 27.330 4.955 -31.794 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.904 7.964 -31.538 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.381 7.085 -32.976 1.00 0.00 H new ATOM 0 HG2 LYS A 87 24.706 6.770 -31.519 1.00 0.00 H new ATOM 0 HG3 LYS A 87 24.945 7.648 -33.017 1.00 0.00 H new ATOM 0 HD2 LYS A 87 26.103 5.169 -33.598 1.00 0.00 H new ATOM 0 HD3 LYS A 87 24.765 4.716 -32.562 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.807 4.766 -34.753 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.291 6.277 -34.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.260 6.466 -36.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.005 7.460 -35.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.767 6.031 -35.672 1.00 0.00 H new ATOM 1346 N THR A 88 28.788 7.141 -29.739 1.00 0.00 N ATOM 1347 CA THR A 88 30.121 7.510 -29.193 1.00 0.00 C ATOM 1348 C THR A 88 30.184 7.133 -27.706 1.00 0.00 C ATOM 1349 O THR A 88 29.215 6.620 -27.147 1.00 0.00 O ATOM 1350 CB THR A 88 30.336 9.017 -29.349 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.170 9.706 -28.920 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.614 9.346 -30.815 1.00 0.00 C ATOM 0 H THR A 88 28.000 7.656 -29.346 1.00 0.00 H new ATOM 0 HA THR A 88 30.900 6.975 -29.737 1.00 0.00 H new ATOM 0 HB THR A 88 31.187 9.328 -28.743 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.306 10.672 -29.017 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.767 10.420 -30.924 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.509 8.817 -31.143 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.765 9.036 -31.425 1.00 0.00 H new ATOM 1353 N ASP A 89 31.298 7.376 -27.047 1.00 0.00 N ATOM 1354 CA ASP A 89 31.387 7.023 -25.595 1.00 0.00 C ATOM 1355 C ASP A 89 30.594 8.050 -24.777 1.00 0.00 C ATOM 1356 O ASP A 89 30.011 8.980 -25.332 1.00 0.00 O ATOM 1357 CB ASP A 89 32.852 7.026 -25.135 1.00 0.00 C ATOM 1358 CG ASP A 89 33.087 5.860 -24.174 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.001 4.727 -24.616 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.351 6.120 -23.011 1.00 0.00 O ATOM 0 H ASP A 89 32.136 7.797 -27.448 1.00 0.00 H new ATOM 0 HA ASP A 89 30.972 6.026 -25.444 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.515 6.941 -25.996 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.088 7.970 -24.643 1.00 0.00 H new ATOM 1361 N SER A 90 30.557 7.910 -23.469 1.00 0.00 N ATOM 1362 CA SER A 90 29.796 8.894 -22.640 1.00 0.00 C ATOM 1363 C SER A 90 30.724 10.049 -22.242 1.00 0.00 C ATOM 1364 O SER A 90 31.943 9.889 -22.202 1.00 0.00 O ATOM 1365 CB SER A 90 29.263 8.212 -21.377 1.00 0.00 C ATOM 1366 OG SER A 90 28.095 8.891 -20.933 1.00 0.00 O ATOM 0 H SER A 90 31.017 7.164 -22.948 1.00 0.00 H new ATOM 0 HA SER A 90 28.957 9.278 -23.220 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.033 7.167 -21.584 1.00 0.00 H new ATOM 0 HB3 SER A 90 30.023 8.223 -20.596 1.00 0.00 H new ATOM 0 HG SER A 90 28.021 8.813 -19.959 1.00 0.00 H new ATOM 1367 N ASP A 91 30.182 11.212 -21.948 1.00 0.00 N ATOM 1368 CA ASP A 91 31.053 12.357 -21.557 1.00 0.00 C ATOM 1369 C ASP A 91 31.361 12.294 -20.058 1.00 0.00 C ATOM 1370 O ASP A 91 32.450 12.678 -19.633 1.00 0.00 O ATOM 1371 CB ASP A 91 30.370 13.687 -21.892 1.00 0.00 C ATOM 1372 CG ASP A 91 30.901 14.213 -23.226 1.00 0.00 C ATOM 1373 OD1 ASP A 91 30.402 13.781 -24.253 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.799 15.039 -23.200 1.00 0.00 O ATOM 0 H ASP A 91 29.182 11.411 -21.963 1.00 0.00 H new ATOM 0 HA ASP A 91 31.986 12.291 -22.117 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.290 13.549 -21.947 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.558 14.414 -21.102 1.00 0.00 H new ATOM 1375 N ILE A 92 30.450 11.808 -19.236 1.00 0.00 N ATOM 1376 CA ILE A 92 30.763 11.723 -17.779 1.00 0.00 C ATOM 1377 C ILE A 92 32.044 10.880 -17.570 1.00 0.00 C ATOM 1378 O ILE A 92 32.749 11.066 -16.579 1.00 0.00 O ATOM 1379 CB ILE A 92 29.585 11.116 -16.999 1.00 0.00 C ATOM 1380 CG1 ILE A 92 29.172 9.766 -17.608 1.00 0.00 C ATOM 1381 CG2 ILE A 92 28.398 12.084 -17.047 1.00 0.00 C ATOM 1382 CD1 ILE A 92 29.513 8.634 -16.634 1.00 0.00 C ATOM 0 H ILE A 92 29.526 11.475 -19.510 1.00 0.00 H new ATOM 0 HA ILE A 92 30.932 12.730 -17.398 1.00 0.00 H new ATOM 0 HB ILE A 92 29.891 10.952 -15.966 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.103 9.765 -17.822 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.687 9.611 -18.556 1.00 0.00 H new ATOM 0 HG21 ILE A 92 27.559 11.659 -16.495 1.00 0.00 H new ATOM 0 HG22 ILE A 92 28.685 13.034 -16.596 1.00 0.00 H new ATOM 0 HG23 ILE A 92 28.104 12.249 -18.084 1.00 0.00 H new ATOM 0 HD11 ILE A 92 29.219 7.679 -17.069 1.00 0.00 H new ATOM 0 HD12 ILE A 92 30.586 8.630 -16.442 1.00 0.00 H new ATOM 0 HD13 ILE A 92 28.977 8.786 -15.697 1.00 0.00 H new ATOM 1383 N ILE A 93 32.396 9.984 -18.489 1.00 0.00 N ATOM 1384 CA ILE A 93 33.663 9.206 -18.302 1.00 0.00 C ATOM 1385 C ILE A 93 34.830 10.165 -18.556 1.00 0.00 C ATOM 1386 O ILE A 93 35.807 10.185 -17.816 1.00 0.00 O ATOM 1387 CB ILE A 93 33.796 8.016 -19.286 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.443 7.422 -19.733 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.609 6.913 -18.611 1.00 0.00 C ATOM 1390 CD1 ILE A 93 31.469 7.300 -18.562 1.00 0.00 C ATOM 0 H ILE A 93 31.868 9.770 -19.335 1.00 0.00 H new ATOM 0 HA ILE A 93 33.661 8.794 -17.293 1.00 0.00 H new ATOM 0 HB ILE A 93 34.285 8.401 -20.181 1.00 0.00 H new ATOM 0 HG12 ILE A 93 32.006 8.053 -20.507 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.605 6.440 -20.177 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.711 6.068 -19.292 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.597 7.294 -18.355 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.099 6.588 -17.704 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.528 6.878 -18.914 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.896 6.648 -17.800 1.00 0.00 H new ATOM 0 HD13 ILE A 93 31.288 8.286 -18.135 1.00 0.00 H new