USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 452 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.065 (180deg=-0.301) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 155:sc= -0.151 (180deg=-1.35) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0759 K(o=-0.076,f=-0.61) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc=-0.00197 (180deg=-0.108) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00737 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 83 MET CE :methyl -170:sc= -2.21 (180deg=-2.57) USER MOD Single : A 85 ASN : amide:sc= -0.0583 K(o=-0.058,f=-1.8!) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.014 USER MOD Single : A 99 TYR OH : rot -16:sc= -0.199 USER MOD Single : A 100 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.1) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.662 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 14.382 11.965 0.360 1.00 0.00 N ATOM 664 CA LEU A 47 14.949 13.256 0.733 1.00 0.00 C ATOM 665 C LEU A 47 15.081 14.166 -0.485 1.00 0.00 C ATOM 666 O LEU A 47 14.677 15.328 -0.449 1.00 0.00 O ATOM 667 CB LEU A 47 16.318 13.063 1.389 1.00 0.00 C ATOM 668 CG LEU A 47 16.303 12.640 2.858 1.00 0.00 C ATOM 669 CD1 LEU A 47 17.720 12.399 3.358 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.606 13.691 3.710 1.00 0.00 C ATOM 0 HA LEU A 47 14.274 13.729 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.869 12.313 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.874 13.997 1.306 1.00 0.00 H new ATOM 0 HG LEU A 47 15.746 11.707 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.690 12.099 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.185 11.610 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.301 13.316 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.605 13.372 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.134 14.640 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.579 13.814 3.367 1.00 0.00 H new ATOM 682 N GLU A 48 15.645 13.628 -1.561 1.00 0.00 N ATOM 683 CA GLU A 48 15.828 14.391 -2.790 1.00 0.00 C ATOM 684 C GLU A 48 14.510 15.012 -3.245 1.00 0.00 C ATOM 685 O GLU A 48 14.433 16.212 -3.508 1.00 0.00 O ATOM 686 CB GLU A 48 16.391 13.495 -3.895 1.00 0.00 C ATOM 687 CG GLU A 48 17.909 13.466 -3.940 1.00 0.00 C ATOM 688 CD GLU A 48 18.506 12.528 -2.909 1.00 0.00 C ATOM 689 OE1 GLU A 48 18.664 12.948 -1.744 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.814 11.372 -3.268 1.00 0.00 O ATOM 0 H GLU A 48 15.983 12.667 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 48 16.538 15.193 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.021 12.480 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.014 13.839 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.233 13.160 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.293 14.473 -3.775 1.00 0.00 H new ATOM 697 N LYS A 49 13.474 14.185 -3.338 1.00 0.00 N ATOM 698 CA LYS A 49 12.159 14.650 -3.761 1.00 0.00 C ATOM 699 C LYS A 49 11.762 15.917 -3.010 1.00 0.00 C ATOM 700 O LYS A 49 11.249 16.866 -3.602 1.00 0.00 O ATOM 701 CB LYS A 49 11.111 13.558 -3.530 1.00 0.00 C ATOM 702 CG LYS A 49 9.948 13.615 -4.506 1.00 0.00 C ATOM 703 CD LYS A 49 9.285 12.257 -4.663 1.00 0.00 C ATOM 704 CE LYS A 49 8.438 12.194 -5.925 1.00 0.00 C ATOM 705 NZ LYS A 49 7.200 13.013 -5.803 1.00 0.00 N ATOM 0 H LYS A 49 13.520 13.188 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 49 12.208 14.880 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.592 12.583 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.726 13.644 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.214 14.341 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.303 13.962 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.048 11.480 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.660 12.053 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.024 12.546 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.169 11.158 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.650 12.944 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.628 12.661 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.456 14.006 -5.632 1.00 0.00 H new ATOM 719 N ALA A 50 12.004 15.925 -1.703 1.00 0.00 N ATOM 720 CA ALA A 50 11.675 17.077 -0.873 1.00 0.00 C ATOM 721 C ALA A 50 12.387 18.332 -1.368 1.00 0.00 C ATOM 722 O ALA A 50 11.746 19.304 -1.764 1.00 0.00 O ATOM 723 CB ALA A 50 12.037 16.801 0.579 1.00 0.00 C ATOM 0 H ALA A 50 12.427 15.147 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 50 10.601 17.249 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.786 17.670 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.479 15.935 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.106 16.601 0.656 1.00 0.00 H new ATOM 729 N ALA A 51 13.715 18.302 -1.341 1.00 0.00 N ATOM 730 CA ALA A 51 14.513 19.437 -1.788 1.00 0.00 C ATOM 731 C ALA A 51 14.056 19.923 -3.159 1.00 0.00 C ATOM 732 O ALA A 51 13.540 21.032 -3.296 1.00 0.00 O ATOM 733 CB ALA A 51 15.988 19.064 -1.823 1.00 0.00 C ATOM 0 H ALA A 51 14.261 17.505 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 51 14.372 20.251 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.572 19.921 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.313 18.772 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.137 18.232 -2.511 1.00 0.00 H new ATOM 739 N VAL A 52 14.250 19.086 -4.174 1.00 0.00 N ATOM 740 CA VAL A 52 13.858 19.431 -5.535 1.00 0.00 C ATOM 741 C VAL A 52 12.518 20.157 -5.553 1.00 0.00 C ATOM 742 O VAL A 52 12.385 21.224 -6.154 1.00 0.00 O ATOM 743 CB VAL A 52 13.762 18.178 -6.425 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.345 18.557 -7.838 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.085 17.428 -6.434 1.00 0.00 C ATOM 0 H VAL A 52 14.676 18.164 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 52 14.631 20.090 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 52 12.999 17.518 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.283 17.659 -8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.372 19.047 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.082 19.238 -8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.999 16.546 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.869 18.078 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.337 17.122 -5.419 1.00 0.00 H new ATOM 755 N LYS A 53 11.525 19.573 -4.890 1.00 0.00 N ATOM 756 CA LYS A 53 10.194 20.165 -4.827 1.00 0.00 C ATOM 757 C LYS A 53 10.254 21.582 -4.267 1.00 0.00 C ATOM 758 O LYS A 53 9.488 22.456 -4.674 1.00 0.00 O ATOM 759 CB LYS A 53 9.270 19.303 -3.964 1.00 0.00 C ATOM 760 CG LYS A 53 8.546 18.219 -4.744 1.00 0.00 C ATOM 761 CD LYS A 53 7.527 18.810 -5.704 1.00 0.00 C ATOM 762 CE LYS A 53 6.777 17.723 -6.459 1.00 0.00 C ATOM 763 NZ LYS A 53 6.042 16.813 -5.537 1.00 0.00 N ATOM 0 H LYS A 53 11.617 18.690 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 53 9.796 20.211 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.856 18.838 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.533 19.945 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.270 17.625 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.045 17.543 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.818 19.425 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.032 19.466 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.073 18.182 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.481 17.144 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.351 16.254 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.716 16.173 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.545 17.376 -4.817 1.00 0.00 H new ATOM 777 N LYS A 54 11.171 21.805 -3.331 1.00 0.00 N ATOM 778 CA LYS A 54 11.334 23.117 -2.715 1.00 0.00 C ATOM 779 C LYS A 54 12.073 24.068 -3.651 1.00 0.00 C ATOM 780 O LYS A 54 11.740 25.250 -3.738 1.00 0.00 O ATOM 781 CB LYS A 54 12.094 22.992 -1.393 1.00 0.00 C ATOM 782 CG LYS A 54 12.538 24.326 -0.819 1.00 0.00 C ATOM 783 CD LYS A 54 11.418 25.000 -0.045 1.00 0.00 C ATOM 784 CE LYS A 54 11.295 24.437 1.363 1.00 0.00 C ATOM 785 NZ LYS A 54 10.652 25.406 2.293 1.00 0.00 N ATOM 0 H LYS A 54 11.813 21.093 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 54 10.342 23.525 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.460 22.486 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.970 22.362 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.395 24.174 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.868 24.979 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.604 26.073 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.475 24.865 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.711 23.517 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.285 24.176 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.586 24.985 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.222 26.275 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.698 25.636 1.950 1.00 0.00 H new ATOM 799 N MET A 55 13.075 23.545 -4.349 1.00 0.00 N ATOM 800 CA MET A 55 13.858 24.348 -5.281 1.00 0.00 C ATOM 801 C MET A 55 12.996 24.827 -6.445 1.00 0.00 C ATOM 802 O MET A 55 13.090 25.979 -6.865 1.00 0.00 O ATOM 803 CB MET A 55 15.046 23.542 -5.809 1.00 0.00 C ATOM 804 CG MET A 55 15.728 22.697 -4.745 1.00 0.00 C ATOM 805 SD MET A 55 17.413 22.240 -5.196 1.00 0.00 S ATOM 806 CE MET A 55 18.224 23.836 -5.135 1.00 0.00 C ATOM 0 H MET A 55 13.364 22.569 -4.287 1.00 0.00 H new ATOM 0 HA MET A 55 14.230 25.221 -4.745 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.704 22.891 -6.614 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.776 24.227 -6.241 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.744 23.248 -3.804 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.144 21.793 -4.575 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.289 23.696 -4.947 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.088 24.350 -6.087 1.00 0.00 H new ATOM 0 HE3 MET A 55 17.790 24.434 -4.334 1.00 0.00 H new ATOM 816 N ALA A 56 12.157 23.934 -6.960 1.00 0.00 N ATOM 817 CA ALA A 56 11.278 24.267 -8.074 1.00 0.00 C ATOM 818 C ALA A 56 10.193 25.248 -7.643 1.00 0.00 C ATOM 819 O ALA A 56 9.975 26.272 -8.290 1.00 0.00 O ATOM 820 CB ALA A 56 10.652 23.004 -8.647 1.00 0.00 C ATOM 0 H ALA A 56 12.068 22.975 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 56 11.878 24.746 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.998 23.267 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.438 22.337 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.071 22.502 -7.873 1.00 0.00 H new ATOM 826 N LYS A 57 9.515 24.928 -6.546 1.00 0.00 N ATOM 827 CA LYS A 57 8.452 25.782 -6.027 1.00 0.00 C ATOM 828 C LYS A 57 8.931 27.224 -5.890 1.00 0.00 C ATOM 829 O LYS A 57 8.227 28.159 -6.270 1.00 0.00 O ATOM 830 CB LYS A 57 7.969 25.263 -4.671 1.00 0.00 C ATOM 831 CG LYS A 57 6.991 24.105 -4.776 1.00 0.00 C ATOM 832 CD LYS A 57 6.477 23.684 -3.410 1.00 0.00 C ATOM 833 CE LYS A 57 6.136 22.202 -3.375 1.00 0.00 C ATOM 834 NZ LYS A 57 5.997 21.697 -1.981 1.00 0.00 N ATOM 0 H LYS A 57 9.682 24.084 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 57 7.623 25.758 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.831 24.947 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.495 26.080 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.151 24.393 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.479 23.258 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.230 23.903 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.592 24.268 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.206 22.030 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.914 21.638 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.765 20.684 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.892 21.837 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.237 22.217 -1.497 1.00 0.00 H new ATOM 848 N ALA A 58 10.131 27.395 -5.347 1.00 0.00 N ATOM 849 CA ALA A 58 10.704 28.723 -5.164 1.00 0.00 C ATOM 850 C ALA A 58 10.762 29.483 -6.484 1.00 0.00 C ATOM 851 O ALA A 58 10.520 30.689 -6.528 1.00 0.00 O ATOM 852 CB ALA A 58 12.093 28.618 -4.552 1.00 0.00 C ATOM 0 H ALA A 58 10.726 26.631 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 58 10.059 29.279 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.509 29.617 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.027 28.122 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.739 28.040 -5.213 1.00 0.00 H new ATOM 858 N ILE A 59 11.084 28.770 -7.558 1.00 0.00 N ATOM 859 CA ILE A 59 11.173 29.378 -8.880 1.00 0.00 C ATOM 860 C ILE A 59 9.818 29.914 -9.331 1.00 0.00 C ATOM 861 O ILE A 59 9.716 31.036 -9.825 1.00 0.00 O ATOM 862 CB ILE A 59 11.690 28.376 -9.928 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.072 27.854 -9.528 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.741 29.025 -11.303 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.537 26.677 -10.356 1.00 0.00 C ATOM 0 H ILE A 59 11.288 27.771 -7.539 1.00 0.00 H new ATOM 0 HA ILE A 59 11.880 30.204 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 59 11.002 27.532 -9.972 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.797 28.662 -9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.051 27.563 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.109 28.303 -12.033 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.741 29.352 -11.588 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.410 29.885 -11.275 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.523 26.360 -10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.833 25.853 -10.244 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.590 26.969 -11.405 1.00 0.00 H new ATOM 877 N MET A 60 8.780 29.103 -9.156 1.00 0.00 N ATOM 878 CA MET A 60 7.429 29.496 -9.542 1.00 0.00 C ATOM 879 C MET A 60 7.171 30.960 -9.199 1.00 0.00 C ATOM 880 O MET A 60 6.773 31.747 -10.058 1.00 0.00 O ATOM 881 CB MET A 60 6.397 28.607 -8.845 1.00 0.00 C ATOM 882 CG MET A 60 6.551 27.130 -9.168 1.00 0.00 C ATOM 883 SD MET A 60 5.048 26.188 -8.845 1.00 0.00 S ATOM 884 CE MET A 60 4.538 25.782 -10.514 1.00 0.00 C ATOM 0 H MET A 60 8.848 28.170 -8.750 1.00 0.00 H new ATOM 0 HA MET A 60 7.335 29.371 -10.621 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.479 28.745 -7.767 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.397 28.931 -9.133 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.827 27.018 -10.217 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.368 26.716 -8.577 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.618 25.198 -10.481 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.365 26.700 -11.075 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.320 25.201 -11.002 1.00 0.00 H new ATOM 894 N ALA A 61 7.399 31.318 -7.940 1.00 0.00 N ATOM 895 CA ALA A 61 7.193 32.687 -7.485 1.00 0.00 C ATOM 896 C ALA A 61 8.309 33.603 -7.976 1.00 0.00 C ATOM 897 O ALA A 61 8.093 34.451 -8.842 1.00 0.00 O ATOM 898 CB ALA A 61 7.101 32.731 -5.967 1.00 0.00 C ATOM 0 H ALA A 61 7.727 30.678 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 61 6.253 33.045 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.947 33.760 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.264 32.116 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.026 32.348 -5.535 1.00 0.00 H new ATOM 904 N ASP A 62 9.501 33.427 -7.417 1.00 0.00 N ATOM 905 CA ASP A 62 10.652 34.237 -7.799 1.00 0.00 C ATOM 906 C ASP A 62 11.438 33.570 -8.923 1.00 0.00 C ATOM 907 O ASP A 62 11.914 32.442 -8.795 1.00 0.00 O ATOM 908 CB ASP A 62 11.561 34.470 -6.591 1.00 0.00 C ATOM 909 CG ASP A 62 10.780 34.764 -5.326 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.408 35.938 -5.118 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.541 33.821 -4.543 1.00 0.00 O ATOM 0 H ASP A 62 9.696 32.731 -6.698 1.00 0.00 H new ATOM 0 HA ASP A 62 10.286 35.198 -8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.184 33.589 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.233 35.302 -6.801 1.00 0.00 H new ATOM 916 N PRO A 63 11.578 34.282 -10.051 1.00 0.00 N ATOM 917 CA PRO A 63 12.306 33.778 -11.219 1.00 0.00 C ATOM 918 C PRO A 63 13.808 33.689 -10.973 1.00 0.00 C ATOM 919 O PRO A 63 14.453 32.716 -11.359 1.00 0.00 O ATOM 920 CB PRO A 63 12.002 34.817 -12.301 1.00 0.00 C ATOM 921 CG PRO A 63 11.699 36.068 -11.551 1.00 0.00 C ATOM 922 CD PRO A 63 11.038 35.634 -10.272 1.00 0.00 C ATOM 0 HA PRO A 63 12.002 32.765 -11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.852 34.952 -12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.157 34.511 -12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.610 36.632 -11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.043 36.720 -12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.281 36.304 -9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.952 35.623 -10.365 1.00 0.00 H new ATOM 930 N ASN A 64 14.359 34.712 -10.327 1.00 0.00 N ATOM 931 CA ASN A 64 15.786 34.748 -10.029 1.00 0.00 C ATOM 932 C ASN A 64 16.249 33.428 -9.421 1.00 0.00 C ATOM 933 O ASN A 64 17.407 33.036 -9.567 1.00 0.00 O ATOM 934 CB ASN A 64 16.099 35.900 -9.071 1.00 0.00 C ATOM 935 CG ASN A 64 15.716 37.250 -9.646 1.00 0.00 C ATOM 936 OD1 ASN A 64 15.779 37.462 -10.858 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.317 38.172 -8.777 1.00 0.00 N ATOM 0 H ASN A 64 13.839 35.526 -10.000 1.00 0.00 H new ATOM 0 HA ASN A 64 16.323 34.905 -10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.567 35.744 -8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.164 35.896 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.047 39.099 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.280 37.953 -7.782 1.00 0.00 H new ATOM 944 N LYS A 65 15.336 32.744 -8.740 1.00 0.00 N ATOM 945 CA LYS A 65 15.648 31.466 -8.111 1.00 0.00 C ATOM 946 C LYS A 65 16.011 30.418 -9.159 1.00 0.00 C ATOM 947 O LYS A 65 16.878 29.575 -8.933 1.00 0.00 O ATOM 948 CB LYS A 65 14.459 30.979 -7.280 1.00 0.00 C ATOM 949 CG LYS A 65 14.448 31.520 -5.860 1.00 0.00 C ATOM 950 CD LYS A 65 15.501 30.846 -4.998 1.00 0.00 C ATOM 951 CE LYS A 65 15.795 31.653 -3.743 1.00 0.00 C ATOM 952 NZ LYS A 65 14.635 31.669 -2.809 1.00 0.00 N ATOM 0 H LYS A 65 14.373 33.054 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 65 16.506 31.613 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.534 31.270 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.473 29.890 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.625 32.595 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.463 31.367 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.160 29.849 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.418 30.720 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.664 31.233 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.052 32.675 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.875 32.229 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.813 32.093 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.406 30.696 -2.524 1.00 0.00 H new ATOM 966 N ALA A 66 15.344 30.480 -10.307 1.00 0.00 N ATOM 967 CA ALA A 66 15.599 29.539 -11.390 1.00 0.00 C ATOM 968 C ALA A 66 17.095 29.395 -11.651 1.00 0.00 C ATOM 969 O ALA A 66 17.656 28.308 -11.517 1.00 0.00 O ATOM 970 CB ALA A 66 14.881 29.984 -12.656 1.00 0.00 C ATOM 0 H ALA A 66 14.623 31.172 -10.511 1.00 0.00 H new ATOM 0 HA ALA A 66 15.213 28.565 -11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.080 29.272 -13.457 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.808 30.029 -12.469 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.240 30.970 -12.950 1.00 0.00 H new ATOM 976 N ASP A 67 17.734 30.498 -12.025 1.00 0.00 N ATOM 977 CA ASP A 67 19.165 30.494 -12.305 1.00 0.00 C ATOM 978 C ASP A 67 19.928 29.735 -11.224 1.00 0.00 C ATOM 979 O ASP A 67 20.663 28.792 -11.517 1.00 0.00 O ATOM 980 CB ASP A 67 19.690 31.927 -12.406 1.00 0.00 C ATOM 981 CG ASP A 67 20.983 32.016 -13.192 1.00 0.00 C ATOM 982 OD1 ASP A 67 20.976 31.658 -14.388 1.00 0.00 O ATOM 983 OD2 ASP A 67 22.003 32.443 -12.611 1.00 0.00 O ATOM 0 H ASP A 67 17.284 31.406 -12.141 1.00 0.00 H new ATOM 0 HA ASP A 67 19.323 29.989 -13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 67 18.936 32.554 -12.881 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.850 32.324 -11.403 1.00 0.00 H new ATOM 988 N GLU A 68 19.749 30.153 -9.975 1.00 0.00 N ATOM 989 CA GLU A 68 20.422 29.512 -8.852 1.00 0.00 C ATOM 990 C GLU A 68 20.162 28.009 -8.847 1.00 0.00 C ATOM 991 O GLU A 68 21.091 27.206 -8.944 1.00 0.00 O ATOM 992 CB GLU A 68 19.954 30.126 -7.530 1.00 0.00 C ATOM 993 CG GLU A 68 20.478 29.400 -6.303 1.00 0.00 C ATOM 994 CD GLU A 68 21.940 29.695 -6.030 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.764 29.508 -6.950 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.261 30.112 -4.898 1.00 0.00 O ATOM 0 H GLU A 68 19.144 30.932 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 68 21.494 29.677 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.273 31.167 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.864 30.125 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.885 29.687 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.347 28.326 -6.437 1.00 0.00 H new ATOM 1003 N VAL A 69 18.892 27.634 -8.733 1.00 0.00 N ATOM 1004 CA VAL A 69 18.508 26.228 -8.715 1.00 0.00 C ATOM 1005 C VAL A 69 19.200 25.456 -9.833 1.00 0.00 C ATOM 1006 O VAL A 69 20.009 24.564 -9.578 1.00 0.00 O ATOM 1007 CB VAL A 69 16.984 26.060 -8.858 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.626 24.599 -9.085 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.271 26.607 -7.630 1.00 0.00 C ATOM 0 H VAL A 69 18.111 28.285 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 69 18.821 25.827 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 69 16.653 26.629 -9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.545 24.500 -9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.107 24.244 -9.996 1.00 0.00 H new ATOM 0 HG13 VAL A 69 16.969 24.005 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.195 26.480 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.605 26.067 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.501 27.666 -7.517 1.00 0.00 H new ATOM 1019 N TYR A 70 18.876 25.804 -11.074 1.00 0.00 N ATOM 1020 CA TYR A 70 19.465 25.143 -12.232 1.00 0.00 C ATOM 1021 C TYR A 70 20.912 24.747 -11.956 1.00 0.00 C ATOM 1022 O TYR A 70 21.291 23.586 -12.109 1.00 0.00 O ATOM 1023 CB TYR A 70 19.399 26.058 -13.456 1.00 0.00 C ATOM 1024 CG TYR A 70 17.990 26.320 -13.940 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.101 25.274 -14.153 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.549 27.615 -14.186 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.814 25.509 -14.596 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.264 27.859 -14.628 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.400 26.804 -14.831 1.00 0.00 C ATOM 1030 OH TYR A 70 14.119 27.043 -15.273 1.00 0.00 O ATOM 0 H TYR A 70 18.208 26.540 -11.303 1.00 0.00 H new ATOM 0 HA TYR A 70 18.892 24.238 -12.432 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.874 27.009 -13.215 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.975 25.610 -14.266 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.422 24.259 -13.969 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.223 28.444 -14.029 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.136 24.684 -14.757 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.937 28.871 -14.814 1.00 0.00 H new ATOM 0 HH TYR A 70 13.987 28.007 -15.388 1.00 0.00 H new ATOM 1040 N LYS A 71 21.717 25.722 -11.548 1.00 0.00 N ATOM 1041 CA LYS A 71 23.123 25.478 -11.247 1.00 0.00 C ATOM 1042 C LYS A 71 23.270 24.525 -10.066 1.00 0.00 C ATOM 1043 O LYS A 71 24.021 23.551 -10.130 1.00 0.00 O ATOM 1044 CB LYS A 71 23.837 26.798 -10.944 1.00 0.00 C ATOM 1045 CG LYS A 71 24.429 27.466 -12.172 1.00 0.00 C ATOM 1046 CD LYS A 71 23.346 28.046 -13.067 1.00 0.00 C ATOM 1047 CE LYS A 71 23.938 28.911 -14.170 1.00 0.00 C ATOM 1048 NZ LYS A 71 23.073 28.935 -15.381 1.00 0.00 N ATOM 0 H LYS A 71 21.420 26.689 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 71 23.581 25.016 -12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.132 27.483 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.633 26.613 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.111 28.259 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.017 26.741 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.766 27.236 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.657 28.641 -12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.074 29.927 -13.801 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.925 28.534 -14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.511 29.535 -16.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.964 27.968 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.139 29.319 -15.133 1.00 0.00 H new ATOM 1062 N LYS A 72 22.547 24.809 -8.988 1.00 0.00 N ATOM 1063 CA LYS A 72 22.594 23.976 -7.793 1.00 0.00 C ATOM 1064 C LYS A 72 22.372 22.508 -8.143 1.00 0.00 C ATOM 1065 O LYS A 72 23.198 21.653 -7.826 1.00 0.00 O ATOM 1066 CB LYS A 72 21.539 24.436 -6.784 1.00 0.00 C ATOM 1067 CG LYS A 72 21.896 25.733 -6.079 1.00 0.00 C ATOM 1068 CD LYS A 72 21.224 25.832 -4.720 1.00 0.00 C ATOM 1069 CE LYS A 72 21.857 26.918 -3.863 1.00 0.00 C ATOM 1070 NZ LYS A 72 23.202 26.518 -3.364 1.00 0.00 N ATOM 0 H LYS A 72 21.921 25.611 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 72 23.584 24.079 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.587 24.562 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.397 23.654 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.977 25.796 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.595 26.579 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.163 26.044 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.296 24.873 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.944 27.835 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.206 27.138 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.504 27.175 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.157 25.553 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.886 26.547 -4.147 1.00 0.00 H new ATOM 1084 N TRP A 73 21.253 22.225 -8.800 1.00 0.00 N ATOM 1085 CA TRP A 73 20.924 20.860 -9.195 1.00 0.00 C ATOM 1086 C TRP A 73 22.101 20.200 -9.906 1.00 0.00 C ATOM 1087 O TRP A 73 22.667 19.225 -9.415 1.00 0.00 O ATOM 1088 CB TRP A 73 19.694 20.853 -10.104 1.00 0.00 C ATOM 1089 CG TRP A 73 18.401 20.956 -9.354 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.167 20.565 -8.066 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.164 21.482 -9.847 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.859 20.817 -7.729 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.222 21.380 -8.804 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.760 22.031 -11.067 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.904 21.805 -8.946 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.451 22.452 -11.207 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.537 22.339 -10.152 1.00 0.00 C ATOM 0 H TRP A 73 20.559 22.922 -9.070 1.00 0.00 H new ATOM 0 HA TRP A 73 20.703 20.290 -8.292 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.765 21.683 -10.806 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.692 19.936 -10.693 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.902 20.123 -7.409 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.431 20.617 -6.825 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.458 22.125 -11.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.197 21.717 -8.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.127 22.875 -12.146 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.522 22.680 -10.293 1.00 0.00 H new ATOM 1108 N ALA A 74 22.463 20.739 -11.066 1.00 0.00 N ATOM 1109 CA ALA A 74 23.574 20.203 -11.843 1.00 0.00 C ATOM 1110 C ALA A 74 24.753 19.848 -10.943 1.00 0.00 C ATOM 1111 O ALA A 74 25.408 18.824 -11.136 1.00 0.00 O ATOM 1112 CB ALA A 74 24.003 21.202 -12.908 1.00 0.00 C ATOM 0 H ALA A 74 22.003 21.546 -11.488 1.00 0.00 H new ATOM 0 HA ALA A 74 23.236 19.289 -12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.833 20.789 -13.481 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.166 21.403 -13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.318 22.130 -12.431 1.00 0.00 H new ATOM 1118 N ASP A 75 25.018 20.701 -9.960 1.00 0.00 N ATOM 1119 CA ASP A 75 26.118 20.477 -9.029 1.00 0.00 C ATOM 1120 C ASP A 75 25.859 19.246 -8.167 1.00 0.00 C ATOM 1121 O ASP A 75 26.710 18.364 -8.052 1.00 0.00 O ATOM 1122 CB ASP A 75 26.320 21.705 -8.139 1.00 0.00 C ATOM 1123 CG ASP A 75 27.752 21.847 -7.664 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.656 21.300 -8.331 1.00 0.00 O ATOM 1125 OD2 ASP A 75 27.970 22.505 -6.626 1.00 0.00 O ATOM 0 H ASP A 75 24.486 21.554 -9.787 1.00 0.00 H new ATOM 0 HA ASP A 75 27.024 20.307 -9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.033 22.601 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.659 21.637 -7.275 1.00 0.00 H new ATOM 1130 N LYS A 76 24.677 19.192 -7.562 1.00 0.00 N ATOM 1131 CA LYS A 76 24.304 18.069 -6.710 1.00 0.00 C ATOM 1132 C LYS A 76 24.546 16.742 -7.422 1.00 0.00 C ATOM 1133 O LYS A 76 25.147 15.826 -6.861 1.00 0.00 O ATOM 1134 CB LYS A 76 22.833 18.179 -6.300 1.00 0.00 C ATOM 1135 CG LYS A 76 22.495 19.481 -5.594 1.00 0.00 C ATOM 1136 CD LYS A 76 22.705 19.371 -4.093 1.00 0.00 C ATOM 1137 CE LYS A 76 22.503 20.711 -3.403 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.227 20.780 -2.103 1.00 0.00 N ATOM 0 H LYS A 76 23.961 19.913 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 76 24.927 18.101 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.209 18.084 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.584 17.344 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.116 20.284 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.458 19.749 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.011 18.639 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.712 19.005 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.851 21.512 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.439 20.876 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.064 21.709 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.877 20.032 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.246 20.648 -2.266 1.00 0.00 H new ATOM 1152 N GLY A 77 24.075 16.646 -8.662 1.00 0.00 N ATOM 1153 CA GLY A 77 24.252 15.427 -9.430 1.00 0.00 C ATOM 1154 C GLY A 77 22.933 14.823 -9.869 1.00 0.00 C ATOM 1155 O GLY A 77 22.737 13.611 -9.778 1.00 0.00 O ATOM 0 H GLY A 77 23.574 17.390 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.861 15.640 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.800 14.700 -8.831 1.00 0.00 H new ATOM 1159 N TYR A 78 22.026 15.668 -10.346 1.00 0.00 N ATOM 1160 CA TYR A 78 20.717 15.211 -10.797 1.00 0.00 C ATOM 1161 C TYR A 78 20.712 14.978 -12.305 1.00 0.00 C ATOM 1162 O TYR A 78 21.581 15.471 -13.025 1.00 0.00 O ATOM 1163 CB TYR A 78 19.641 16.231 -10.424 1.00 0.00 C ATOM 1164 CG TYR A 78 19.423 16.363 -8.933 1.00 0.00 C ATOM 1165 CD1 TYR A 78 18.877 15.319 -8.196 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.763 17.531 -8.262 1.00 0.00 C ATOM 1167 CE1 TYR A 78 18.676 15.436 -6.834 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.566 17.656 -6.901 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.023 16.606 -6.191 1.00 0.00 C ATOM 1170 OH TYR A 78 18.824 16.726 -4.835 1.00 0.00 O ATOM 0 H TYR A 78 22.173 16.674 -10.430 1.00 0.00 H new ATOM 0 HA TYR A 78 20.499 14.266 -10.300 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.918 17.204 -10.830 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.701 15.945 -10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 78 18.605 14.401 -8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 78 20.189 18.356 -8.814 1.00 0.00 H new ATOM 0 HE1 TYR A 78 18.249 14.616 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.836 18.571 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 78 19.122 17.611 -4.538 1.00 0.00 H new ATOM 1180 N THR A 79 19.724 14.224 -12.778 1.00 0.00 N ATOM 1181 CA THR A 79 19.604 13.924 -14.199 1.00 0.00 C ATOM 1182 C THR A 79 18.142 13.793 -14.611 1.00 0.00 C ATOM 1183 O THR A 79 17.285 13.447 -13.797 1.00 0.00 O ATOM 1184 CB THR A 79 20.347 12.626 -14.564 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.925 11.561 -13.704 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.852 12.812 -14.447 1.00 0.00 C ATOM 0 H THR A 79 18.995 13.810 -12.197 1.00 0.00 H new ATOM 0 HA THR A 79 20.057 14.756 -14.737 1.00 0.00 H new ATOM 0 HB THR A 79 20.107 12.375 -15.597 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.401 10.739 -13.944 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.355 11.881 -14.710 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.175 13.603 -15.124 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.106 13.085 -13.423 1.00 0.00 H new ATOM 1194 N LEU A 80 17.863 14.071 -15.880 1.00 0.00 N ATOM 1195 CA LEU A 80 16.503 13.983 -16.401 1.00 0.00 C ATOM 1196 C LEU A 80 15.746 12.829 -15.753 1.00 0.00 C ATOM 1197 O LEU A 80 14.588 12.974 -15.359 1.00 0.00 O ATOM 1198 CB LEU A 80 16.529 13.802 -17.920 1.00 0.00 C ATOM 1199 CG LEU A 80 17.349 14.827 -18.704 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.460 14.418 -20.164 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.731 16.212 -18.581 1.00 0.00 C ATOM 0 H LEU A 80 18.560 14.359 -16.567 1.00 0.00 H new ATOM 0 HA LEU A 80 15.987 14.912 -16.161 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.919 12.809 -18.141 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.503 13.830 -18.287 1.00 0.00 H new ATOM 0 HG LEU A 80 18.353 14.861 -18.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.047 15.160 -20.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.949 13.446 -20.234 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.463 14.354 -20.601 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.328 16.928 -19.145 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.716 16.194 -18.977 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.706 16.507 -17.532 1.00 0.00 H new ATOM 1213 N THR A 81 16.407 11.680 -15.643 1.00 0.00 N ATOM 1214 CA THR A 81 15.797 10.501 -15.042 1.00 0.00 C ATOM 1215 C THR A 81 15.325 10.790 -13.622 1.00 0.00 C ATOM 1216 O THR A 81 14.149 10.619 -13.303 1.00 0.00 O ATOM 1217 CB THR A 81 16.777 9.314 -15.014 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.351 9.121 -16.312 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.072 8.040 -14.571 1.00 0.00 C ATOM 0 H THR A 81 17.366 11.542 -15.963 1.00 0.00 H new ATOM 0 HA THR A 81 14.939 10.239 -15.661 1.00 0.00 H new ATOM 0 HB THR A 81 17.567 9.541 -14.298 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.974 8.365 -16.285 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.785 7.215 -14.559 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.662 8.180 -13.571 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.264 7.811 -15.266 1.00 0.00 H new ATOM 1227 N GLN A 82 16.249 11.229 -12.774 1.00 0.00 N ATOM 1228 CA GLN A 82 15.926 11.542 -11.387 1.00 0.00 C ATOM 1229 C GLN A 82 15.074 12.803 -11.297 1.00 0.00 C ATOM 1230 O GLN A 82 13.950 12.770 -10.797 1.00 0.00 O ATOM 1231 CB GLN A 82 17.207 11.719 -10.570 1.00 0.00 C ATOM 1232 CG GLN A 82 18.079 10.474 -10.529 1.00 0.00 C ATOM 1233 CD GLN A 82 17.316 9.241 -10.086 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.750 9.207 -8.993 1.00 0.00 O ATOM 1235 NE2 GLN A 82 17.296 8.221 -10.935 1.00 0.00 N ATOM 0 H GLN A 82 17.227 11.376 -13.023 1.00 0.00 H new ATOM 0 HA GLN A 82 15.354 10.709 -10.978 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.784 12.543 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.942 12.001 -9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.502 10.299 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.915 10.643 -9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.779 8.293 -11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.797 7.365 -10.692 1.00 0.00 H new ATOM 1244 N MET A 83 15.616 13.914 -11.785 1.00 0.00 N ATOM 1245 CA MET A 83 14.904 15.186 -11.760 1.00 0.00 C ATOM 1246 C MET A 83 13.411 14.979 -11.995 1.00 0.00 C ATOM 1247 O MET A 83 12.591 15.258 -11.121 1.00 0.00 O ATOM 1248 CB MET A 83 15.472 16.133 -12.819 1.00 0.00 C ATOM 1249 CG MET A 83 14.763 17.477 -12.876 1.00 0.00 C ATOM 1250 SD MET A 83 14.642 18.267 -11.260 1.00 0.00 S ATOM 1251 CE MET A 83 16.372 18.556 -10.894 1.00 0.00 C ATOM 0 H MET A 83 16.546 13.959 -12.202 1.00 0.00 H new ATOM 0 HA MET A 83 15.040 15.630 -10.774 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.530 16.298 -12.617 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.405 15.654 -13.796 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.297 18.137 -13.560 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.762 17.338 -13.284 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.476 18.875 -9.857 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.935 17.636 -11.049 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.758 19.333 -11.553 1.00 0.00 H new ATOM 1261 N SER A 84 13.066 14.487 -13.181 1.00 0.00 N ATOM 1262 CA SER A 84 11.671 14.246 -13.532 1.00 0.00 C ATOM 1263 C SER A 84 10.966 13.450 -12.438 1.00 0.00 C ATOM 1264 O SER A 84 9.933 13.870 -11.917 1.00 0.00 O ATOM 1265 CB SER A 84 11.580 13.498 -14.863 1.00 0.00 C ATOM 1266 OG SER A 84 10.341 13.747 -15.504 1.00 0.00 O ATOM 0 H SER A 84 13.733 14.248 -13.915 1.00 0.00 H new ATOM 0 HA SER A 84 11.175 15.211 -13.632 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.398 13.806 -15.514 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.696 12.428 -14.691 1.00 0.00 H new ATOM 0 HG SER A 84 10.308 13.259 -16.353 1.00 0.00 H new ATOM 1272 N ASN A 85 11.532 12.298 -12.095 1.00 0.00 N ATOM 1273 CA ASN A 85 10.958 11.441 -11.064 1.00 0.00 C ATOM 1274 C ASN A 85 10.559 12.258 -9.838 1.00 0.00 C ATOM 1275 O ASN A 85 9.561 11.962 -9.180 1.00 0.00 O ATOM 1276 CB ASN A 85 11.955 10.353 -10.662 1.00 0.00 C ATOM 1277 CG ASN A 85 11.992 9.207 -11.656 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.157 9.125 -12.556 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.963 8.316 -11.495 1.00 0.00 N ATOM 0 H ASN A 85 12.388 11.936 -12.516 1.00 0.00 H new ATOM 0 HA ASN A 85 10.064 10.972 -11.474 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.950 10.789 -10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.691 9.968 -9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.038 7.523 -12.132 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.634 8.424 -10.734 1.00 0.00 H new ATOM 1286 N PHE A 86 11.344 13.287 -9.539 1.00 0.00 N ATOM 1287 CA PHE A 86 11.073 14.147 -8.392 1.00 0.00 C ATOM 1288 C PHE A 86 9.934 15.115 -8.696 1.00 0.00 C ATOM 1289 O PHE A 86 9.022 15.291 -7.887 1.00 0.00 O ATOM 1290 CB PHE A 86 12.331 14.928 -8.005 1.00 0.00 C ATOM 1291 CG PHE A 86 13.465 14.052 -7.554 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.260 13.067 -6.601 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.736 14.214 -8.082 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.301 12.259 -6.183 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.780 13.409 -7.668 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.563 12.432 -6.717 1.00 0.00 C ATOM 0 H PHE A 86 12.173 13.546 -10.074 1.00 0.00 H new ATOM 0 HA PHE A 86 10.775 13.513 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.658 15.521 -8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.083 15.628 -7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.275 12.929 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.912 14.978 -8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.128 11.494 -5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.766 13.544 -8.088 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.379 11.804 -6.391 1.00 0.00 H new ATOM 1306 N LEU A 87 9.993 15.740 -9.866 1.00 0.00 N ATOM 1307 CA LEU A 87 8.966 16.691 -10.278 1.00 0.00 C ATOM 1308 C LEU A 87 7.829 15.984 -11.008 1.00 0.00 C ATOM 1309 O LEU A 87 7.115 16.592 -11.806 1.00 0.00 O ATOM 1310 CB LEU A 87 9.573 17.769 -11.179 1.00 0.00 C ATOM 1311 CG LEU A 87 10.700 18.600 -10.565 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.295 19.540 -11.602 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.193 19.380 -9.362 1.00 0.00 C ATOM 0 H LEU A 87 10.741 15.606 -10.547 1.00 0.00 H new ATOM 0 HA LEU A 87 8.561 17.160 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.952 17.289 -12.081 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.777 18.446 -11.489 1.00 0.00 H new ATOM 0 HG LEU A 87 11.484 17.922 -10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.096 20.124 -11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.696 18.959 -12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.520 20.212 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.009 19.966 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.390 20.048 -9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.816 18.686 -8.611 1.00 0.00 H new ATOM 1325 N LYS A 88 7.665 14.695 -10.728 1.00 0.00 N ATOM 1326 CA LYS A 88 6.612 13.904 -11.354 1.00 0.00 C ATOM 1327 C LYS A 88 5.278 14.115 -10.645 1.00 0.00 C ATOM 1328 O LYS A 88 4.573 13.156 -10.331 1.00 0.00 O ATOM 1329 CB LYS A 88 6.982 12.419 -11.335 1.00 0.00 C ATOM 1330 CG LYS A 88 6.365 11.624 -12.473 1.00 0.00 C ATOM 1331 CD LYS A 88 7.093 11.869 -13.784 1.00 0.00 C ATOM 1332 CE LYS A 88 8.236 10.884 -13.980 1.00 0.00 C ATOM 1333 NZ LYS A 88 8.501 10.622 -15.421 1.00 0.00 N ATOM 0 H LYS A 88 8.248 14.176 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 88 6.510 14.234 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.067 12.323 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.664 11.986 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.394 10.561 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.316 11.898 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.391 11.782 -14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.482 12.887 -13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.138 11.276 -13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.997 9.946 -13.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.286 9.946 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.648 10.224 -15.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.754 11.513 -15.895 1.00 0.00 H new ATOM 1433 N TYR A 95 5.157 21.694 -12.720 1.00 0.00 N ATOM 1434 CA TYR A 95 6.558 22.078 -12.846 1.00 0.00 C ATOM 1435 C TYR A 95 7.101 21.714 -14.225 1.00 0.00 C ATOM 1436 O TYR A 95 8.211 21.198 -14.351 1.00 0.00 O ATOM 1437 CB TYR A 95 7.395 21.397 -11.761 1.00 0.00 C ATOM 1438 CG TYR A 95 6.856 21.602 -10.363 1.00 0.00 C ATOM 1439 CD1 TYR A 95 7.176 22.742 -9.635 1.00 0.00 C ATOM 1440 CD2 TYR A 95 6.029 20.657 -9.770 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.687 22.934 -8.358 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.535 20.841 -8.493 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.866 21.981 -7.791 1.00 0.00 C ATOM 1444 OH TYR A 95 5.377 22.168 -6.519 1.00 0.00 O ATOM 0 HA TYR A 95 6.624 23.159 -12.723 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.444 20.328 -11.969 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.415 21.778 -11.808 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.818 23.490 -10.076 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.768 19.763 -10.316 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.946 23.825 -7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.893 20.096 -8.047 1.00 0.00 H new ATOM 0 HH TYR A 95 4.815 21.405 -6.269 1.00 0.00 H new ATOM 1454 N ASP A 96 6.309 21.989 -15.255 1.00 0.00 N ATOM 1455 CA ASP A 96 6.709 21.694 -16.626 1.00 0.00 C ATOM 1456 C ASP A 96 7.765 22.683 -17.110 1.00 0.00 C ATOM 1457 O ASP A 96 8.755 22.295 -17.729 1.00 0.00 O ATOM 1458 CB ASP A 96 5.493 21.732 -17.554 1.00 0.00 C ATOM 1459 CG ASP A 96 5.882 21.892 -19.011 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.027 21.541 -19.361 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.040 22.371 -19.800 1.00 0.00 O ATOM 0 H ASP A 96 5.387 22.416 -15.167 1.00 0.00 H new ATOM 0 HA ASP A 96 7.140 20.693 -16.645 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.918 20.814 -17.433 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.842 22.556 -17.262 1.00 0.00 H new ATOM 1466 N ARG A 97 7.545 23.962 -16.823 1.00 0.00 N ATOM 1467 CA ARG A 97 8.476 25.007 -17.231 1.00 0.00 C ATOM 1468 C ARG A 97 9.810 24.860 -16.504 1.00 0.00 C ATOM 1469 O ARG A 97 10.875 24.966 -17.112 1.00 0.00 O ATOM 1470 CB ARG A 97 7.881 26.388 -16.952 1.00 0.00 C ATOM 1471 CG ARG A 97 6.658 26.706 -17.798 1.00 0.00 C ATOM 1472 CD ARG A 97 7.050 27.137 -19.203 1.00 0.00 C ATOM 1473 NE ARG A 97 5.938 27.018 -20.142 1.00 0.00 N ATOM 1474 CZ ARG A 97 4.875 27.815 -20.128 1.00 0.00 C ATOM 1475 NH1 ARG A 97 4.781 28.784 -19.227 1.00 0.00 N ATOM 1476 NH2 ARG A 97 3.904 27.644 -21.015 1.00 0.00 N ATOM 0 H ARG A 97 6.731 24.299 -16.310 1.00 0.00 H new ATOM 0 HA ARG A 97 8.651 24.904 -18.302 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.610 26.451 -15.898 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.644 27.146 -17.131 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.013 25.829 -17.852 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.080 27.498 -17.321 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.397 28.170 -19.182 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.884 26.527 -19.550 1.00 0.00 H new ATOM 0 HE ARG A 97 5.980 26.283 -20.848 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.526 28.918 -18.543 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.964 29.395 -19.218 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.973 26.900 -21.709 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.089 28.257 -21.003 1.00 0.00 H new ATOM 1490 N VAL A 98 9.743 24.617 -15.199 1.00 0.00 N ATOM 1491 CA VAL A 98 10.944 24.455 -14.389 1.00 0.00 C ATOM 1492 C VAL A 98 11.783 23.280 -14.878 1.00 0.00 C ATOM 1493 O VAL A 98 13.012 23.353 -14.916 1.00 0.00 O ATOM 1494 CB VAL A 98 10.595 24.240 -12.904 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.861 24.113 -12.071 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.722 25.375 -12.392 1.00 0.00 C ATOM 0 H VAL A 98 8.869 24.528 -14.680 1.00 0.00 H new ATOM 0 HA VAL A 98 11.520 25.375 -14.490 1.00 0.00 H new ATOM 0 HB VAL A 98 10.033 23.310 -12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.595 23.962 -11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.445 23.263 -12.424 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.452 25.024 -12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.485 25.206 -11.341 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.255 26.320 -12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.799 25.413 -12.970 1.00 0.00 H new ATOM 1506 N TYR A 99 11.112 22.196 -15.252 1.00 0.00 N ATOM 1507 CA TYR A 99 11.795 21.004 -15.738 1.00 0.00 C ATOM 1508 C TYR A 99 12.446 21.262 -17.093 1.00 0.00 C ATOM 1509 O TYR A 99 13.629 20.986 -17.289 1.00 0.00 O ATOM 1510 CB TYR A 99 10.813 19.836 -15.846 1.00 0.00 C ATOM 1511 CG TYR A 99 11.460 18.538 -16.275 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.111 17.726 -15.354 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.421 18.125 -17.601 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.704 16.540 -15.741 1.00 0.00 C ATOM 1515 CE2 TYR A 99 12.010 16.940 -17.997 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.650 16.151 -17.064 1.00 0.00 C ATOM 1517 OH TYR A 99 13.240 14.970 -17.454 1.00 0.00 O ATOM 0 H TYR A 99 10.095 22.119 -15.228 1.00 0.00 H new ATOM 0 HA TYR A 99 12.577 20.748 -15.023 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.329 19.689 -14.881 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.030 20.095 -16.559 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.154 18.027 -14.318 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.922 18.741 -18.334 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.207 15.921 -15.013 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.970 16.633 -19.032 1.00 0.00 H new ATOM 0 HH TYR A 99 13.857 14.666 -16.756 1.00 0.00 H new ATOM 1527 N ASN A 100 11.664 21.796 -18.026 1.00 0.00 N ATOM 1528 CA ASN A 100 12.163 22.093 -19.364 1.00 0.00 C ATOM 1529 C ASN A 100 13.513 22.801 -19.296 1.00 0.00 C ATOM 1530 O ASN A 100 14.473 22.393 -19.949 1.00 0.00 O ATOM 1531 CB ASN A 100 11.158 22.960 -20.124 1.00 0.00 C ATOM 1532 CG ASN A 100 9.859 22.230 -20.404 1.00 0.00 C ATOM 1533 OD1 ASN A 100 9.834 21.003 -20.509 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.772 22.982 -20.526 1.00 0.00 N ATOM 0 H ASN A 100 10.682 22.032 -17.880 1.00 0.00 H new ATOM 0 HA ASN A 100 12.294 21.150 -19.894 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.948 23.860 -19.546 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.601 23.283 -21.066 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.869 22.547 -20.714 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.840 23.995 -20.431 1.00 0.00 H new ATOM 1541 N GLY A 101 13.579 23.863 -18.500 1.00 0.00 N ATOM 1542 CA GLY A 101 14.816 24.610 -18.360 1.00 0.00 C ATOM 1543 C GLY A 101 15.998 23.719 -18.037 1.00 0.00 C ATOM 1544 O GLY A 101 17.038 23.793 -18.692 1.00 0.00 O ATOM 0 H GLY A 101 12.798 24.220 -17.949 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.016 25.152 -19.284 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.700 25.354 -17.572 1.00 0.00 H new ATOM 1548 N TYR A 102 15.841 22.875 -17.023 1.00 0.00 N ATOM 1549 CA TYR A 102 16.906 21.969 -16.611 1.00 0.00 C ATOM 1550 C TYR A 102 17.401 21.138 -17.791 1.00 0.00 C ATOM 1551 O TYR A 102 18.605 21.020 -18.021 1.00 0.00 O ATOM 1552 CB TYR A 102 16.416 21.046 -15.493 1.00 0.00 C ATOM 1553 CG TYR A 102 17.507 20.191 -14.891 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.676 20.764 -14.404 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.371 18.811 -14.810 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.676 19.987 -13.853 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.366 18.026 -14.259 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.517 18.619 -13.782 1.00 0.00 C ATOM 1559 OH TYR A 102 20.510 17.840 -13.235 1.00 0.00 O ATOM 0 H TYR A 102 14.986 22.800 -16.471 1.00 0.00 H new ATOM 0 HA TYR A 102 17.736 22.570 -16.239 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.964 21.650 -14.706 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.633 20.397 -15.886 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.804 21.835 -14.457 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.472 18.343 -15.184 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.578 20.449 -13.480 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.243 16.954 -14.202 1.00 0.00 H new ATOM 0 HH TYR A 102 20.991 18.354 -12.553 1.00 0.00 H new ATOM 1569 N VAL A 103 16.463 20.563 -18.536 1.00 0.00 N ATOM 1570 CA VAL A 103 16.802 19.744 -19.694 1.00 0.00 C ATOM 1571 C VAL A 103 17.832 20.440 -20.577 1.00 0.00 C ATOM 1572 O VAL A 103 18.896 19.887 -20.859 1.00 0.00 O ATOM 1573 CB VAL A 103 15.554 19.421 -20.538 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.931 18.586 -21.752 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.510 18.707 -19.692 1.00 0.00 C ATOM 0 H VAL A 103 15.462 20.649 -18.359 1.00 0.00 H new ATOM 0 HA VAL A 103 17.224 18.815 -19.311 1.00 0.00 H new ATOM 0 HB VAL A 103 15.123 20.358 -20.892 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.037 18.368 -22.336 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.640 19.139 -22.368 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.387 17.652 -21.424 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.635 18.486 -20.304 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.928 17.777 -19.307 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.218 19.346 -18.858 1.00 0.00 H new ATOM 1585 N ILE A 104 17.510 21.654 -21.009 1.00 0.00 N ATOM 1586 CA ILE A 104 18.408 22.426 -21.858 1.00 0.00 C ATOM 1587 C ILE A 104 19.746 22.667 -21.167 1.00 0.00 C ATOM 1588 O ILE A 104 20.800 22.638 -21.803 1.00 0.00 O ATOM 1589 CB ILE A 104 17.791 23.783 -22.244 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.463 23.574 -22.976 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.758 24.578 -23.108 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.570 24.794 -22.968 1.00 0.00 C ATOM 0 H ILE A 104 16.633 22.125 -20.785 1.00 0.00 H new ATOM 0 HA ILE A 104 18.569 21.839 -22.762 1.00 0.00 H new ATOM 0 HB ILE A 104 17.598 24.350 -21.333 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.667 23.290 -24.008 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.931 22.741 -22.516 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.307 25.535 -23.373 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.681 24.752 -22.555 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.979 24.018 -24.016 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.647 24.573 -23.505 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.335 25.066 -21.939 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.083 25.624 -23.455 1.00 0.00 H new ATOM 1604 N HIS A 105 19.696 22.904 -19.859 1.00 0.00 N ATOM 1605 CA HIS A 105 20.905 23.147 -19.080 1.00 0.00 C ATOM 1606 C HIS A 105 21.848 21.951 -19.152 1.00 0.00 C ATOM 1607 O HIS A 105 23.070 22.110 -19.169 1.00 0.00 O ATOM 1608 CB HIS A 105 20.547 23.443 -17.623 1.00 0.00 C ATOM 1609 CG HIS A 105 21.738 23.712 -16.757 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.326 24.955 -16.650 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.451 22.891 -15.951 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.350 24.886 -15.818 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.447 23.644 -15.380 1.00 0.00 N ATOM 0 H HIS A 105 18.832 22.933 -19.317 1.00 0.00 H new ATOM 0 HA HIS A 105 21.413 24.013 -19.505 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.881 24.305 -17.589 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.994 22.597 -17.214 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.270 21.839 -15.787 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.997 25.706 -15.543 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.148 23.300 -14.724 1.00 0.00 H new ATOM 1622 N LEU A 106 21.275 20.753 -19.193 1.00 0.00 N ATOM 1623 CA LEU A 106 22.064 19.529 -19.262 1.00 0.00 C ATOM 1624 C LEU A 106 22.338 19.138 -20.711 1.00 0.00 C ATOM 1625 O LEU A 106 23.287 18.408 -20.999 1.00 0.00 O ATOM 1626 CB LEU A 106 21.339 18.389 -18.543 1.00 0.00 C ATOM 1627 CG LEU A 106 21.594 18.275 -17.040 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.911 17.039 -16.476 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.089 18.238 -16.754 1.00 0.00 C ATOM 0 H LEU A 106 20.266 20.604 -19.180 1.00 0.00 H new ATOM 0 HA LEU A 106 23.018 19.714 -18.768 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.267 18.509 -18.701 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.627 17.448 -19.013 1.00 0.00 H new ATOM 0 HG LEU A 106 21.173 19.153 -16.551 1.00 0.00 H new ATOM 0 HD11 LEU A 106 21.103 16.974 -15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.837 17.106 -16.648 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.303 16.150 -16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.252 18.157 -15.679 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.534 17.378 -17.255 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.553 19.153 -17.123 1.00 0.00 H new