USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=15 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 -100:sc= 1.05 USER MOD Set 1.2: A 85 ASN : amide:sc= -0.133 K(o=0.91,f=-0.073) USER MOD Set 2.1: A 55 MET CE :methyl 141:sc= -1.13 (180deg=-2.82!) USER MOD Set 2.2: A 72 LYS NZ :NH3+ 156: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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0687) 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= 0.207 K(o=0.21,f=-2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0459) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.853 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.359 F(o=-0.96,f=-0.36) USER MOD Single : A 83 MET CE :methyl -155:sc= -1.32 (180deg=-2.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.7!) USER MOD Single : A 102 TYR OH : rot 50:sc= -0.338 USER MOD Single : A 105 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.942 12.398 1.202 1.00 0.00 N ATOM 664 CA LEU A 47 14.554 13.701 1.437 1.00 0.00 C ATOM 665 C LEU A 47 14.926 14.373 0.119 1.00 0.00 C ATOM 666 O LEU A 47 14.491 15.489 -0.163 1.00 0.00 O ATOM 667 CB LEU A 47 15.797 13.552 2.316 1.00 0.00 C ATOM 668 CG LEU A 47 15.561 13.593 3.826 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.679 12.871 4.561 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.445 15.032 4.308 1.00 0.00 C ATOM 0 HA LEU A 47 13.827 14.329 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.280 12.607 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.498 14.345 2.056 1.00 0.00 H new ATOM 0 HG LEU A 47 14.623 13.081 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.494 12.911 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.715 11.831 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.631 13.353 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.277 15.043 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.366 15.568 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.608 15.518 3.806 1.00 0.00 H new ATOM 682 N GLU A 48 15.732 13.685 -0.683 1.00 0.00 N ATOM 683 CA GLU A 48 16.162 14.216 -1.972 1.00 0.00 C ATOM 684 C GLU A 48 14.990 14.848 -2.717 1.00 0.00 C ATOM 685 O GLU A 48 15.017 16.034 -3.049 1.00 0.00 O ATOM 686 CB GLU A 48 16.783 13.107 -2.823 1.00 0.00 C ATOM 687 CG GLU A 48 17.827 13.609 -3.808 1.00 0.00 C ATOM 688 CD GLU A 48 19.218 13.660 -3.207 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.504 14.613 -2.453 1.00 0.00 O ATOM 690 OE2 GLU A 48 20.021 12.747 -3.492 1.00 0.00 O ATOM 0 H GLU A 48 16.100 12.759 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 48 16.911 14.986 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.242 12.369 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.992 12.596 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.837 12.960 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.547 14.605 -4.153 1.00 0.00 H new ATOM 697 N LYS A 49 13.961 14.049 -2.977 1.00 0.00 N ATOM 698 CA LYS A 49 12.778 14.528 -3.683 1.00 0.00 C ATOM 699 C LYS A 49 12.275 15.834 -3.076 1.00 0.00 C ATOM 700 O LYS A 49 11.915 16.765 -3.795 1.00 0.00 O ATOM 701 CB LYS A 49 11.671 13.472 -3.639 1.00 0.00 C ATOM 702 CG LYS A 49 10.665 13.599 -4.771 1.00 0.00 C ATOM 703 CD LYS A 49 9.799 12.357 -4.888 1.00 0.00 C ATOM 704 CE LYS A 49 8.787 12.488 -6.016 1.00 0.00 C ATOM 705 NZ LYS A 49 7.605 11.605 -5.806 1.00 0.00 N ATOM 0 H LYS A 49 13.922 13.066 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 49 13.054 14.713 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.124 12.481 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.146 13.547 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.032 14.470 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.192 13.766 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.431 11.487 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.276 12.186 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.458 13.524 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.264 12.237 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.939 11.723 -6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.916 10.614 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.134 11.861 -4.915 1.00 0.00 H new ATOM 719 N ALA A 50 12.254 15.895 -1.748 1.00 0.00 N ATOM 720 CA ALA A 50 11.798 17.087 -1.046 1.00 0.00 C ATOM 721 C ALA A 50 12.515 18.333 -1.556 1.00 0.00 C ATOM 722 O ALA A 50 11.883 19.266 -2.049 1.00 0.00 O ATOM 723 CB ALA A 50 12.010 16.930 0.453 1.00 0.00 C ATOM 0 H ALA A 50 12.548 15.132 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 50 10.732 17.208 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.665 17.828 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.447 16.068 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.070 16.781 0.657 1.00 0.00 H new ATOM 729 N ALA A 51 13.838 18.340 -1.432 1.00 0.00 N ATOM 730 CA ALA A 51 14.641 19.471 -1.882 1.00 0.00 C ATOM 731 C ALA A 51 14.293 19.855 -3.316 1.00 0.00 C ATOM 732 O ALA A 51 14.067 21.027 -3.618 1.00 0.00 O ATOM 733 CB ALA A 51 16.123 19.146 -1.765 1.00 0.00 C ATOM 0 H ALA A 51 14.376 17.576 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 51 14.416 20.323 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.710 19.999 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.367 18.928 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.355 18.278 -2.382 1.00 0.00 H new ATOM 739 N VAL A 52 14.252 18.860 -4.197 1.00 0.00 N ATOM 740 CA VAL A 52 13.931 19.094 -5.600 1.00 0.00 C ATOM 741 C VAL A 52 12.596 19.816 -5.745 1.00 0.00 C ATOM 742 O VAL A 52 12.501 20.839 -6.423 1.00 0.00 O ATOM 743 CB VAL A 52 13.878 17.774 -6.391 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.480 18.033 -7.836 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.216 17.055 -6.318 1.00 0.00 C ATOM 0 H VAL A 52 14.437 17.884 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 52 14.725 19.720 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 52 13.122 17.131 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.448 17.089 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.496 18.501 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.210 18.695 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.160 16.124 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.994 17.690 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.454 16.834 -5.277 1.00 0.00 H new ATOM 755 N LYS A 53 11.565 19.276 -5.104 1.00 0.00 N ATOM 756 CA LYS A 53 10.234 19.868 -5.159 1.00 0.00 C ATOM 757 C LYS A 53 10.244 21.284 -4.592 1.00 0.00 C ATOM 758 O LYS A 53 9.873 22.240 -5.274 1.00 0.00 O ATOM 759 CB LYS A 53 9.236 19.004 -4.384 1.00 0.00 C ATOM 760 CG LYS A 53 8.582 17.924 -5.229 1.00 0.00 C ATOM 761 CD LYS A 53 7.558 18.509 -6.186 1.00 0.00 C ATOM 762 CE LYS A 53 6.697 17.424 -6.812 1.00 0.00 C ATOM 763 NZ LYS A 53 5.592 17.000 -5.907 1.00 0.00 N ATOM 0 H LYS A 53 11.626 18.428 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 53 9.929 19.916 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.749 18.536 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.461 19.646 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.346 17.390 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.099 17.195 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.923 19.217 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.069 19.067 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.278 17.789 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.319 16.562 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.028 16.259 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.992 16.628 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.984 17.817 -5.696 1.00 0.00 H new ATOM 777 N LYS A 54 10.673 21.412 -3.341 1.00 0.00 N ATOM 778 CA LYS A 54 10.735 22.712 -2.682 1.00 0.00 C ATOM 779 C LYS A 54 11.350 23.760 -3.603 1.00 0.00 C ATOM 780 O LYS A 54 10.706 24.749 -3.951 1.00 0.00 O ATOM 781 CB LYS A 54 11.548 22.613 -1.389 1.00 0.00 C ATOM 782 CG LYS A 54 10.712 22.262 -0.171 1.00 0.00 C ATOM 783 CD LYS A 54 10.285 20.804 -0.189 1.00 0.00 C ATOM 784 CE LYS A 54 9.420 20.462 1.015 1.00 0.00 C ATOM 785 NZ LYS A 54 10.193 20.519 2.287 1.00 0.00 N ATOM 0 H LYS A 54 10.983 20.631 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 54 9.717 23.018 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.325 21.859 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.051 23.564 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.284 22.463 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.829 22.900 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.733 20.597 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.168 20.165 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.581 21.156 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.001 19.464 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.603 20.166 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.045 19.928 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.471 21.502 2.480 1.00 0.00 H new ATOM 799 N MET A 55 12.600 23.536 -3.996 1.00 0.00 N ATOM 800 CA MET A 55 13.301 24.460 -4.880 1.00 0.00 C ATOM 801 C MET A 55 12.408 24.884 -6.042 1.00 0.00 C ATOM 802 O MET A 55 12.442 26.035 -6.475 1.00 0.00 O ATOM 803 CB MET A 55 14.582 23.817 -5.414 1.00 0.00 C ATOM 804 CG MET A 55 15.588 23.473 -4.327 1.00 0.00 C ATOM 805 SD MET A 55 16.718 24.832 -3.972 1.00 0.00 S ATOM 806 CE MET A 55 18.178 24.300 -4.862 1.00 0.00 C ATOM 0 H MET A 55 13.148 22.723 -3.716 1.00 0.00 H new ATOM 0 HA MET A 55 13.562 25.347 -4.303 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.323 22.909 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.049 24.495 -6.128 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.054 23.202 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.162 22.598 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.651 25.162 -5.334 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.879 23.837 -4.168 1.00 0.00 H new ATOM 0 HE3 MET A 55 17.894 23.578 -5.627 1.00 0.00 H new ATOM 816 N ALA A 56 11.611 23.946 -6.542 1.00 0.00 N ATOM 817 CA ALA A 56 10.708 24.223 -7.653 1.00 0.00 C ATOM 818 C ALA A 56 9.759 25.368 -7.316 1.00 0.00 C ATOM 819 O ALA A 56 9.714 26.378 -8.018 1.00 0.00 O ATOM 820 CB ALA A 56 9.922 22.973 -8.018 1.00 0.00 C ATOM 0 H ALA A 56 11.572 22.987 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 56 11.309 24.524 -8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.252 23.194 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.612 22.181 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.338 22.646 -7.158 1.00 0.00 H new ATOM 826 N LYS A 57 9.000 25.203 -6.238 1.00 0.00 N ATOM 827 CA LYS A 57 8.051 26.223 -5.807 1.00 0.00 C ATOM 828 C LYS A 57 8.651 27.618 -5.947 1.00 0.00 C ATOM 829 O LYS A 57 8.125 28.460 -6.674 1.00 0.00 O ATOM 830 CB LYS A 57 7.634 25.979 -4.355 1.00 0.00 C ATOM 831 CG LYS A 57 6.930 24.650 -4.139 1.00 0.00 C ATOM 832 CD LYS A 57 7.107 24.150 -2.715 1.00 0.00 C ATOM 833 CE LYS A 57 6.257 24.944 -1.736 1.00 0.00 C ATOM 834 NZ LYS A 57 4.905 24.346 -1.562 1.00 0.00 N ATOM 0 H LYS A 57 9.024 24.372 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 57 7.171 26.159 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.519 26.019 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.975 26.786 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.868 24.760 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.324 23.911 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.836 23.096 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.157 24.224 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.761 24.988 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.157 25.970 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.357 24.917 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.413 24.327 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.999 23.376 -1.199 1.00 0.00 H new ATOM 848 N ALA A 58 9.755 27.856 -5.247 1.00 0.00 N ATOM 849 CA ALA A 58 10.428 29.148 -5.296 1.00 0.00 C ATOM 850 C ALA A 58 10.609 29.618 -6.735 1.00 0.00 C ATOM 851 O ALA A 58 10.371 30.783 -7.052 1.00 0.00 O ATOM 852 CB ALA A 58 11.774 29.069 -4.591 1.00 0.00 C ATOM 0 H ALA A 58 10.203 27.170 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 58 9.802 29.876 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.266 30.041 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.623 28.786 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.399 28.324 -5.083 1.00 0.00 H new ATOM 858 N ILE A 59 11.033 28.704 -7.602 1.00 0.00 N ATOM 859 CA ILE A 59 11.245 29.026 -9.008 1.00 0.00 C ATOM 860 C ILE A 59 9.946 29.466 -9.674 1.00 0.00 C ATOM 861 O ILE A 59 9.884 30.525 -10.297 1.00 0.00 O ATOM 862 CB ILE A 59 11.823 27.824 -9.779 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.184 27.427 -9.203 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.944 28.154 -11.259 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.621 26.032 -9.593 1.00 0.00 C ATOM 0 H ILE A 59 11.236 27.735 -7.356 1.00 0.00 H new ATOM 0 HA ILE A 59 11.962 29.847 -9.039 1.00 0.00 H new ATOM 0 HB ILE A 59 11.143 26.979 -9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.935 28.142 -9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.144 27.496 -8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.354 27.295 -11.791 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.959 28.393 -11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.606 29.010 -11.388 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.594 25.818 -9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.891 25.308 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.694 25.964 -10.678 1.00 0.00 H new ATOM 877 N MET A 60 8.909 28.646 -9.535 1.00 0.00 N ATOM 878 CA MET A 60 7.609 28.953 -10.121 1.00 0.00 C ATOM 879 C MET A 60 7.272 30.431 -9.952 1.00 0.00 C ATOM 880 O MET A 60 6.825 31.086 -10.893 1.00 0.00 O ATOM 881 CB MET A 60 6.520 28.092 -9.478 1.00 0.00 C ATOM 882 CG MET A 60 6.750 26.598 -9.641 1.00 0.00 C ATOM 883 SD MET A 60 5.997 25.939 -11.141 1.00 0.00 S ATOM 884 CE MET A 60 4.540 25.144 -10.466 1.00 0.00 C ATOM 0 H MET A 60 8.943 27.765 -9.022 1.00 0.00 H new ATOM 0 HA MET A 60 7.656 28.729 -11.187 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.462 28.328 -8.416 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.556 28.353 -9.916 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.822 26.399 -9.659 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.344 26.075 -8.775 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.967 24.688 -11.273 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.842 24.375 -9.755 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.923 25.885 -9.958 1.00 0.00 H new ATOM 894 N ALA A 61 7.489 30.949 -8.748 1.00 0.00 N ATOM 895 CA ALA A 61 7.210 32.349 -8.457 1.00 0.00 C ATOM 896 C ALA A 61 8.366 33.242 -8.894 1.00 0.00 C ATOM 897 O ALA A 61 8.201 34.116 -9.746 1.00 0.00 O ATOM 898 CB ALA A 61 6.929 32.535 -6.973 1.00 0.00 C ATOM 0 H ALA A 61 7.857 30.419 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 61 6.325 32.642 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.722 33.586 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.065 31.934 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.798 32.218 -6.396 1.00 0.00 H new ATOM 904 N ASP A 62 9.536 33.017 -8.306 1.00 0.00 N ATOM 905 CA ASP A 62 10.720 33.802 -8.636 1.00 0.00 C ATOM 906 C ASP A 62 11.543 33.114 -9.720 1.00 0.00 C ATOM 907 O ASP A 62 12.221 32.114 -9.480 1.00 0.00 O ATOM 908 CB ASP A 62 11.578 34.018 -7.388 1.00 0.00 C ATOM 909 CG ASP A 62 10.918 34.944 -6.385 1.00 0.00 C ATOM 910 OD1 ASP A 62 11.098 36.173 -6.505 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.222 34.438 -5.479 1.00 0.00 O ATOM 0 H ASP A 62 9.690 32.298 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 62 10.391 34.770 -9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.775 33.056 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.543 34.433 -7.681 1.00 0.00 H new ATOM 916 N PRO A 63 11.483 33.660 -10.944 1.00 0.00 N ATOM 917 CA PRO A 63 12.216 33.114 -12.091 1.00 0.00 C ATOM 918 C PRO A 63 13.722 33.319 -11.966 1.00 0.00 C ATOM 919 O PRO A 63 14.509 32.573 -12.548 1.00 0.00 O ATOM 920 CB PRO A 63 11.665 33.911 -13.276 1.00 0.00 C ATOM 921 CG PRO A 63 11.188 35.192 -12.682 1.00 0.00 C ATOM 922 CD PRO A 63 10.696 34.851 -11.303 1.00 0.00 C ATOM 0 HA PRO A 63 12.082 32.036 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.435 34.086 -14.028 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.853 33.377 -13.769 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.993 35.926 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.391 35.628 -13.284 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.864 35.669 -10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.626 34.642 -11.298 1.00 0.00 H new ATOM 930 N ASN A 64 14.116 34.333 -11.204 1.00 0.00 N ATOM 931 CA ASN A 64 15.529 34.635 -11.003 1.00 0.00 C ATOM 932 C ASN A 64 16.230 33.495 -10.272 1.00 0.00 C ATOM 933 O ASN A 64 17.403 33.213 -10.518 1.00 0.00 O ATOM 934 CB ASN A 64 15.687 35.936 -10.214 1.00 0.00 C ATOM 935 CG ASN A 64 14.748 36.008 -9.024 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.558 36.286 -9.175 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.281 35.758 -7.834 1.00 0.00 N ATOM 0 H ASN A 64 13.477 34.960 -10.715 1.00 0.00 H new ATOM 0 HA ASN A 64 15.992 34.754 -11.982 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.716 36.025 -9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.499 36.783 -10.874 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.699 35.792 -6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.273 35.532 -7.757 1.00 0.00 H new ATOM 944 N LYS A 65 15.504 32.842 -9.371 1.00 0.00 N ATOM 945 CA LYS A 65 16.054 31.731 -8.603 1.00 0.00 C ATOM 946 C LYS A 65 16.409 30.562 -9.517 1.00 0.00 C ATOM 947 O LYS A 65 17.427 29.898 -9.324 1.00 0.00 O ATOM 948 CB LYS A 65 15.054 31.275 -7.539 1.00 0.00 C ATOM 949 CG LYS A 65 15.185 32.020 -6.222 1.00 0.00 C ATOM 950 CD LYS A 65 16.429 31.592 -5.461 1.00 0.00 C ATOM 951 CE LYS A 65 16.291 30.178 -4.917 1.00 0.00 C ATOM 952 NZ LYS A 65 17.075 29.986 -3.666 1.00 0.00 N ATOM 0 H LYS A 65 14.532 33.063 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 65 16.964 32.076 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.042 31.408 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.189 30.209 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.225 33.093 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.302 31.837 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.296 31.647 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.609 32.284 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.240 29.964 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.628 29.465 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.955 29.010 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.082 30.165 -3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.737 30.649 -2.939 1.00 0.00 H new ATOM 966 N ALA A 66 15.563 30.317 -10.512 1.00 0.00 N ATOM 967 CA ALA A 66 15.790 29.231 -11.457 1.00 0.00 C ATOM 968 C ALA A 66 17.268 29.113 -11.814 1.00 0.00 C ATOM 969 O ALA A 66 17.886 28.070 -11.601 1.00 0.00 O ATOM 970 CB ALA A 66 14.957 29.441 -12.713 1.00 0.00 C ATOM 0 H ALA A 66 14.714 30.856 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 66 15.483 28.299 -10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.137 28.622 -13.410 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.900 29.467 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.237 30.384 -13.182 1.00 0.00 H new ATOM 976 N ASP A 67 17.827 30.187 -12.359 1.00 0.00 N ATOM 977 CA ASP A 67 19.233 30.204 -12.745 1.00 0.00 C ATOM 978 C ASP A 67 20.099 29.547 -11.675 1.00 0.00 C ATOM 979 O ASP A 67 20.799 28.571 -11.943 1.00 0.00 O ATOM 980 CB ASP A 67 19.701 31.641 -12.986 1.00 0.00 C ATOM 981 CG ASP A 67 20.849 31.718 -13.974 1.00 0.00 C ATOM 982 OD1 ASP A 67 20.579 31.838 -15.187 1.00 0.00 O ATOM 983 OD2 ASP A 67 22.016 31.658 -13.533 1.00 0.00 O ATOM 0 H ASP A 67 17.328 31.057 -12.544 1.00 0.00 H new ATOM 0 HA ASP A 67 19.337 29.636 -13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 67 18.866 32.235 -13.357 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.010 32.083 -12.039 1.00 0.00 H new ATOM 988 N GLU A 68 20.047 30.090 -10.462 1.00 0.00 N ATOM 989 CA GLU A 68 20.828 29.557 -9.353 1.00 0.00 C ATOM 990 C GLU A 68 20.503 28.085 -9.116 1.00 0.00 C ATOM 991 O GLU A 68 21.398 27.242 -9.056 1.00 0.00 O ATOM 992 CB GLU A 68 20.560 30.361 -8.079 1.00 0.00 C ATOM 993 CG GLU A 68 21.203 29.766 -6.837 1.00 0.00 C ATOM 994 CD GLU A 68 21.402 30.789 -5.736 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.458 31.456 -5.731 1.00 0.00 O ATOM 996 OE2 GLU A 68 20.503 30.923 -4.880 1.00 0.00 O ATOM 0 H GLU A 68 19.472 30.898 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 68 21.883 29.641 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.928 31.378 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.483 30.430 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.580 28.953 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.167 29.333 -7.104 1.00 0.00 H new ATOM 1003 N VAL A 69 19.215 27.783 -8.983 1.00 0.00 N ATOM 1004 CA VAL A 69 18.770 26.414 -8.753 1.00 0.00 C ATOM 1005 C VAL A 69 19.383 25.459 -9.772 1.00 0.00 C ATOM 1006 O VAL A 69 20.177 24.586 -9.421 1.00 0.00 O ATOM 1007 CB VAL A 69 17.235 26.304 -8.821 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.800 24.849 -8.736 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.593 27.126 -7.714 1.00 0.00 C ATOM 0 H VAL A 69 18.461 28.469 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 69 19.103 26.136 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 69 16.901 26.703 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.713 24.791 -8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.232 24.291 -9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.144 24.421 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.508 27.037 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.932 26.759 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.878 28.172 -7.825 1.00 0.00 H new ATOM 1019 N TYR A 70 19.009 25.631 -11.035 1.00 0.00 N ATOM 1020 CA TYR A 70 19.520 24.784 -12.105 1.00 0.00 C ATOM 1021 C TYR A 70 20.977 24.409 -11.855 1.00 0.00 C ATOM 1022 O TYR A 70 21.327 23.230 -11.799 1.00 0.00 O ATOM 1023 CB TYR A 70 19.389 25.494 -13.454 1.00 0.00 C ATOM 1024 CG TYR A 70 17.957 25.722 -13.881 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.001 24.723 -13.741 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.559 26.937 -14.426 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.692 24.927 -14.130 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.251 27.150 -14.817 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.321 26.142 -14.668 1.00 0.00 C ATOM 1030 OH TYR A 70 14.018 26.350 -15.058 1.00 0.00 O ATOM 0 H TYR A 70 18.354 26.350 -11.342 1.00 0.00 H new ATOM 0 HA TYR A 70 18.927 23.870 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.901 26.455 -13.401 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.897 24.904 -14.217 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.287 23.770 -13.320 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.284 27.728 -14.546 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.962 24.139 -14.014 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.958 28.101 -15.237 1.00 0.00 H new ATOM 0 HH TYR A 70 13.924 27.258 -15.415 1.00 0.00 H new ATOM 1040 N LYS A 71 21.824 25.422 -11.703 1.00 0.00 N ATOM 1041 CA LYS A 71 23.244 25.202 -11.457 1.00 0.00 C ATOM 1042 C LYS A 71 23.452 24.265 -10.271 1.00 0.00 C ATOM 1043 O LYS A 71 24.275 23.351 -10.325 1.00 0.00 O ATOM 1044 CB LYS A 71 23.950 26.535 -11.196 1.00 0.00 C ATOM 1045 CG LYS A 71 23.896 27.492 -12.374 1.00 0.00 C ATOM 1046 CD LYS A 71 24.611 28.797 -12.066 1.00 0.00 C ATOM 1047 CE LYS A 71 26.087 28.721 -12.423 1.00 0.00 C ATOM 1048 NZ LYS A 71 26.307 28.807 -13.894 1.00 0.00 N ATOM 0 H LYS A 71 21.551 26.404 -11.746 1.00 0.00 H new ATOM 0 HA LYS A 71 23.673 24.738 -12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.496 27.014 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.992 26.341 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.352 27.023 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.857 27.697 -12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.143 29.610 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.503 29.031 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.623 29.531 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.504 27.787 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 27.318 28.956 -14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.996 27.922 -14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.760 29.603 -14.281 1.00 0.00 H new ATOM 1062 N LYS A 72 22.699 24.496 -9.201 1.00 0.00 N ATOM 1063 CA LYS A 72 22.797 23.671 -8.003 1.00 0.00 C ATOM 1064 C LYS A 72 22.430 22.222 -8.308 1.00 0.00 C ATOM 1065 O LYS A 72 23.233 21.312 -8.100 1.00 0.00 O ATOM 1066 CB LYS A 72 21.884 24.220 -6.905 1.00 0.00 C ATOM 1067 CG LYS A 72 22.360 25.538 -6.320 1.00 0.00 C ATOM 1068 CD LYS A 72 21.236 26.269 -5.604 1.00 0.00 C ATOM 1069 CE LYS A 72 21.087 25.791 -4.167 1.00 0.00 C ATOM 1070 NZ LYS A 72 20.049 26.565 -3.431 1.00 0.00 N ATOM 0 H LYS A 72 22.013 25.249 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 72 23.830 23.700 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.881 24.354 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.808 23.483 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.177 25.354 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.756 26.168 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.434 27.341 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.300 26.113 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.824 24.733 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.043 25.884 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.685 25.994 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.468 27.442 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.268 26.800 -4.077 1.00 0.00 H new ATOM 1084 N TRP A 73 21.215 22.017 -8.802 1.00 0.00 N ATOM 1085 CA TRP A 73 20.743 20.678 -9.137 1.00 0.00 C ATOM 1086 C TRP A 73 21.812 19.897 -9.894 1.00 0.00 C ATOM 1087 O TRP A 73 22.294 18.869 -9.421 1.00 0.00 O ATOM 1088 CB TRP A 73 19.465 20.760 -9.973 1.00 0.00 C ATOM 1089 CG TRP A 73 18.223 20.906 -9.147 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.024 20.445 -7.877 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.008 21.556 -9.535 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.758 20.770 -7.452 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.115 21.452 -8.450 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.587 22.218 -10.692 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.829 21.984 -8.491 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.310 22.745 -10.731 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.444 22.627 -9.636 1.00 0.00 C ATOM 0 H TRP A 73 20.539 22.760 -8.980 1.00 0.00 H new ATOM 0 HA TRP A 73 20.527 20.153 -8.207 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.540 21.606 -10.656 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.382 19.862 -10.586 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.754 19.905 -7.293 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.362 20.540 -6.541 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.248 22.316 -11.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.159 21.892 -7.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 14.974 23.257 -11.621 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.453 23.052 -9.697 1.00 0.00 H new ATOM 1108 N ALA A 74 22.177 20.393 -11.072 1.00 0.00 N ATOM 1109 CA ALA A 74 23.190 19.742 -11.893 1.00 0.00 C ATOM 1110 C ALA A 74 24.444 19.438 -11.080 1.00 0.00 C ATOM 1111 O ALA A 74 25.058 18.383 -11.239 1.00 0.00 O ATOM 1112 CB ALA A 74 23.536 20.612 -13.093 1.00 0.00 C ATOM 0 H ALA A 74 21.786 21.243 -11.479 1.00 0.00 H new ATOM 0 HA ALA A 74 22.781 18.796 -12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.294 20.113 -13.697 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.642 20.775 -13.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 23.921 21.572 -12.748 1.00 0.00 H new ATOM 1118 N ASP A 75 24.818 20.368 -10.208 1.00 0.00 N ATOM 1119 CA ASP A 75 25.998 20.198 -9.369 1.00 0.00 C ATOM 1120 C ASP A 75 25.823 19.020 -8.416 1.00 0.00 C ATOM 1121 O ASP A 75 26.751 18.240 -8.198 1.00 0.00 O ATOM 1122 CB ASP A 75 26.273 21.476 -8.574 1.00 0.00 C ATOM 1123 CG ASP A 75 27.165 22.444 -9.325 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.015 21.979 -10.113 1.00 0.00 O ATOM 1125 OD2 ASP A 75 27.014 23.668 -9.125 1.00 0.00 O ATOM 0 H ASP A 75 24.321 21.247 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 75 26.849 19.993 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.328 21.965 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.742 21.216 -7.625 1.00 0.00 H new ATOM 1130 N LYS A 76 24.627 18.895 -7.851 1.00 0.00 N ATOM 1131 CA LYS A 76 24.329 17.812 -6.921 1.00 0.00 C ATOM 1132 C LYS A 76 24.650 16.457 -7.544 1.00 0.00 C ATOM 1133 O LYS A 76 25.335 15.632 -6.940 1.00 0.00 O ATOM 1134 CB LYS A 76 22.857 17.859 -6.507 1.00 0.00 C ATOM 1135 CG LYS A 76 22.460 19.152 -5.816 1.00 0.00 C ATOM 1136 CD LYS A 76 22.848 19.140 -4.346 1.00 0.00 C ATOM 1137 CE LYS A 76 21.911 18.264 -3.529 1.00 0.00 C ATOM 1138 NZ LYS A 76 22.354 18.148 -2.112 1.00 0.00 N ATOM 0 H LYS A 76 23.848 19.531 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 76 24.953 17.943 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.235 17.724 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.649 17.022 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.941 19.994 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.384 19.300 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.870 18.777 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.829 20.157 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.904 18.680 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.860 17.271 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.689 17.543 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.305 17.727 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.378 19.093 -1.677 1.00 0.00 H new ATOM 1152 N GLY A 77 24.152 16.235 -8.756 1.00 0.00 N ATOM 1153 CA GLY A 77 24.398 14.979 -9.440 1.00 0.00 C ATOM 1154 C GLY A 77 23.121 14.324 -9.928 1.00 0.00 C ATOM 1155 O GLY A 77 22.952 13.110 -9.806 1.00 0.00 O ATOM 0 H GLY A 77 23.583 16.902 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.060 15.154 -10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.917 14.298 -8.766 1.00 0.00 H new ATOM 1159 N TYR A 78 22.219 15.128 -10.480 1.00 0.00 N ATOM 1160 CA TYR A 78 20.949 14.620 -10.983 1.00 0.00 C ATOM 1161 C TYR A 78 20.936 14.600 -12.509 1.00 0.00 C ATOM 1162 O TYR A 78 21.881 15.053 -13.156 1.00 0.00 O ATOM 1163 CB TYR A 78 19.792 15.475 -10.464 1.00 0.00 C ATOM 1164 CG TYR A 78 19.760 15.601 -8.958 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.906 14.483 -8.145 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.583 16.836 -8.347 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.877 14.592 -6.768 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.554 16.955 -6.971 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.702 15.830 -6.186 1.00 0.00 C ATOM 1170 OH TYR A 78 19.672 15.944 -4.815 1.00 0.00 O ATOM 0 H TYR A 78 22.344 16.134 -10.590 1.00 0.00 H new ATOM 0 HA TYR A 78 20.827 13.598 -10.623 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.862 16.471 -10.902 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.851 15.043 -10.804 1.00 0.00 H new ATOM 0 HD1 TYR A 78 20.045 13.512 -8.598 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.466 17.719 -8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.991 13.713 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.416 17.923 -6.512 1.00 0.00 H new ATOM 0 HH TYR A 78 19.542 16.883 -4.568 1.00 0.00 H new ATOM 1180 N THR A 79 19.858 14.072 -13.079 1.00 0.00 N ATOM 1181 CA THR A 79 19.720 13.992 -14.527 1.00 0.00 C ATOM 1182 C THR A 79 18.259 13.841 -14.934 1.00 0.00 C ATOM 1183 O THR A 79 17.413 13.468 -14.120 1.00 0.00 O ATOM 1184 CB THR A 79 20.526 12.812 -15.104 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.564 12.896 -16.533 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.915 11.483 -14.685 1.00 0.00 C ATOM 0 H THR A 79 19.067 13.693 -12.559 1.00 0.00 H new ATOM 0 HA THR A 79 20.112 14.924 -14.933 1.00 0.00 H new ATOM 0 HB THR A 79 21.541 12.867 -14.711 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.079 12.143 -16.891 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.501 10.665 -15.104 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.915 11.409 -13.597 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.891 11.421 -15.053 1.00 0.00 H new ATOM 1194 N LEU A 80 17.968 14.132 -16.197 1.00 0.00 N ATOM 1195 CA LEU A 80 16.607 14.027 -16.712 1.00 0.00 C ATOM 1196 C LEU A 80 15.865 12.866 -16.058 1.00 0.00 C ATOM 1197 O LEU A 80 14.702 12.994 -15.675 1.00 0.00 O ATOM 1198 CB LEU A 80 16.628 13.844 -18.230 1.00 0.00 C ATOM 1199 CG LEU A 80 17.194 15.012 -19.039 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.472 14.583 -20.472 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.237 16.194 -19.010 1.00 0.00 C ATOM 0 H LEU A 80 18.656 14.442 -16.883 1.00 0.00 H new ATOM 0 HA LEU A 80 16.081 14.951 -16.471 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.211 12.952 -18.460 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.609 13.655 -18.567 1.00 0.00 H new ATOM 0 HG LEU A 80 18.135 15.322 -18.585 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.874 15.427 -21.033 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.196 13.768 -20.474 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.545 14.247 -20.937 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.656 17.016 -19.591 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.280 15.898 -19.439 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.088 16.517 -17.980 1.00 0.00 H new ATOM 1213 N THR A 81 16.546 11.731 -15.932 1.00 0.00 N ATOM 1214 CA THR A 81 15.953 10.547 -15.324 1.00 0.00 C ATOM 1215 C THR A 81 15.510 10.827 -13.892 1.00 0.00 C ATOM 1216 O THR A 81 14.336 10.672 -13.555 1.00 0.00 O ATOM 1217 CB THR A 81 16.938 9.363 -15.322 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.312 9.034 -16.664 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.320 8.146 -14.650 1.00 0.00 C ATOM 0 H THR A 81 17.509 11.607 -16.243 1.00 0.00 H new ATOM 0 HA THR A 81 15.083 10.285 -15.926 1.00 0.00 H new ATOM 0 HB THR A 81 17.824 9.658 -14.760 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.940 8.281 -16.654 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.034 7.323 -14.661 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.063 8.391 -13.619 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.419 7.852 -15.188 1.00 0.00 H new ATOM 1227 N GLN A 82 16.456 11.240 -13.055 1.00 0.00 N ATOM 1228 CA GLN A 82 16.161 11.542 -11.659 1.00 0.00 C ATOM 1229 C GLN A 82 15.261 12.767 -11.546 1.00 0.00 C ATOM 1230 O GLN A 82 14.171 12.698 -10.978 1.00 0.00 O ATOM 1231 CB GLN A 82 17.458 11.772 -10.881 1.00 0.00 C ATOM 1232 CG GLN A 82 18.384 10.567 -10.870 1.00 0.00 C ATOM 1233 CD GLN A 82 17.651 9.271 -10.586 1.00 0.00 C ATOM 1234 OE1 GLN A 82 17.461 8.458 -11.619 1.00 0.00 O flip ATOM 1235 NE2 GLN A 82 17.259 9.002 -9.449 1.00 0.00 N flip ATOM 0 H GLN A 82 17.432 11.373 -13.319 1.00 0.00 H new ATOM 0 HA GLN A 82 15.636 10.688 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.986 12.621 -11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.213 12.040 -9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.888 10.492 -11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.158 10.715 -10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.426 9.656 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.767 8.126 -9.273 1.00 0.00 H new ATOM 1244 N MET A 83 15.725 13.888 -12.089 1.00 0.00 N ATOM 1245 CA MET A 83 14.960 15.130 -12.049 1.00 0.00 C ATOM 1246 C MET A 83 13.480 14.865 -12.308 1.00 0.00 C ATOM 1247 O MET A 83 12.641 15.071 -11.431 1.00 0.00 O ATOM 1248 CB MET A 83 15.501 16.121 -13.081 1.00 0.00 C ATOM 1249 CG MET A 83 14.749 17.441 -13.108 1.00 0.00 C ATOM 1250 SD MET A 83 14.776 18.289 -11.517 1.00 0.00 S ATOM 1251 CE MET A 83 16.522 18.655 -11.358 1.00 0.00 C ATOM 0 H MET A 83 16.626 13.962 -12.561 1.00 0.00 H new ATOM 0 HA MET A 83 15.065 15.561 -11.053 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.552 16.316 -12.869 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.454 15.665 -14.070 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.187 18.088 -13.868 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.715 17.260 -13.401 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.777 18.759 -10.303 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.105 17.844 -11.794 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.748 19.585 -11.879 1.00 0.00 H new ATOM 1261 N SER A 84 13.168 14.408 -13.516 1.00 0.00 N ATOM 1262 CA SER A 84 11.789 14.120 -13.891 1.00 0.00 C ATOM 1263 C SER A 84 11.108 13.255 -12.835 1.00 0.00 C ATOM 1264 O SER A 84 10.006 13.562 -12.382 1.00 0.00 O ATOM 1265 CB SER A 84 11.744 13.416 -15.249 1.00 0.00 C ATOM 1266 OG SER A 84 12.303 12.117 -15.169 1.00 0.00 O ATOM 0 H SER A 84 13.851 14.229 -14.252 1.00 0.00 H new ATOM 0 HA SER A 84 11.253 15.066 -13.962 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.712 13.351 -15.594 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.290 14.005 -15.986 1.00 0.00 H new ATOM 0 HG SER A 84 13.219 12.133 -15.517 1.00 0.00 H new ATOM 1272 N ASN A 85 11.773 12.172 -12.447 1.00 0.00 N ATOM 1273 CA ASN A 85 11.233 11.261 -11.445 1.00 0.00 C ATOM 1274 C ASN A 85 10.766 12.026 -10.210 1.00 0.00 C ATOM 1275 O ASN A 85 9.750 11.685 -9.603 1.00 0.00 O ATOM 1276 CB ASN A 85 12.286 10.224 -11.048 1.00 0.00 C ATOM 1277 CG ASN A 85 12.339 9.055 -12.013 1.00 0.00 C ATOM 1278 OD1 ASN A 85 12.029 9.198 -13.196 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.732 7.891 -11.511 1.00 0.00 N ATOM 0 H ASN A 85 12.687 11.904 -12.812 1.00 0.00 H new ATOM 0 HA ASN A 85 10.375 10.749 -11.880 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.265 10.702 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.069 9.855 -10.046 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.787 7.069 -12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.979 7.819 -10.524 1.00 0.00 H new ATOM 1286 N PHE A 86 11.514 13.061 -9.845 1.00 0.00 N ATOM 1287 CA PHE A 86 11.177 13.875 -8.682 1.00 0.00 C ATOM 1288 C PHE A 86 10.003 14.800 -8.988 1.00 0.00 C ATOM 1289 O PHE A 86 9.117 14.994 -8.154 1.00 0.00 O ATOM 1290 CB PHE A 86 12.389 14.699 -8.242 1.00 0.00 C ATOM 1291 CG PHE A 86 13.569 13.862 -7.838 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.401 12.753 -7.025 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.845 14.185 -8.270 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.485 11.980 -6.651 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.932 13.416 -7.900 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.752 12.313 -7.088 1.00 0.00 C ATOM 0 H PHE A 86 12.357 13.357 -10.337 1.00 0.00 H new ATOM 0 HA PHE A 86 10.888 13.206 -7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.684 15.359 -9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.101 15.335 -7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.412 12.489 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.992 15.048 -8.903 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.341 11.117 -6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.921 13.677 -8.245 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.600 11.712 -6.795 1.00 0.00 H new ATOM 1306 N LEU A 87 10.002 15.369 -10.188 1.00 0.00 N ATOM 1307 CA LEU A 87 8.937 16.275 -10.605 1.00 0.00 C ATOM 1308 C LEU A 87 7.930 15.556 -11.497 1.00 0.00 C ATOM 1309 O LEU A 87 7.349 16.155 -12.403 1.00 0.00 O ATOM 1310 CB LEU A 87 9.525 17.478 -11.345 1.00 0.00 C ATOM 1311 CG LEU A 87 10.530 18.323 -10.562 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.368 19.168 -11.508 1.00 0.00 C ATOM 1313 CD2 LEU A 87 9.812 19.204 -9.550 1.00 0.00 C ATOM 0 H LEU A 87 10.727 15.219 -10.890 1.00 0.00 H new ATOM 0 HA LEU A 87 8.419 16.624 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.012 17.119 -12.252 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.704 18.123 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 87 11.197 17.652 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.078 19.763 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.911 18.517 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.717 19.831 -12.077 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.543 19.798 -9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.122 19.868 -10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.257 18.578 -8.852 1.00 0.00 H new ATOM 1325 N LYS A 88 7.726 14.270 -11.234 1.00 0.00 N ATOM 1326 CA LYS A 88 6.786 13.470 -12.010 1.00 0.00 C ATOM 1327 C LYS A 88 5.364 13.643 -11.488 1.00 0.00 C ATOM 1328 O LYS A 88 4.602 12.680 -11.400 1.00 0.00 O ATOM 1329 CB LYS A 88 7.182 11.992 -11.961 1.00 0.00 C ATOM 1330 CG LYS A 88 7.049 11.372 -10.581 1.00 0.00 C ATOM 1331 CD LYS A 88 7.649 9.976 -10.536 1.00 0.00 C ATOM 1332 CE LYS A 88 6.667 8.932 -11.045 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.658 8.570 -10.012 1.00 0.00 N ATOM 0 H LYS A 88 8.199 13.759 -10.489 1.00 0.00 H new ATOM 0 HA LYS A 88 6.819 13.816 -13.043 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.561 11.435 -12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.213 11.890 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.546 12.006 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.996 11.326 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.556 9.949 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.939 9.736 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.159 9.313 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.212 8.038 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.007 7.856 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.141 8.183 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.120 9.418 -9.740 1.00 0.00 H new ATOM 1433 N TYR A 95 5.026 21.907 -12.616 1.00 0.00 N ATOM 1434 CA TYR A 95 6.484 21.924 -12.647 1.00 0.00 C ATOM 1435 C TYR A 95 7.000 21.770 -14.075 1.00 0.00 C ATOM 1436 O TYR A 95 8.057 21.183 -14.305 1.00 0.00 O ATOM 1437 CB TYR A 95 7.047 20.807 -11.767 1.00 0.00 C ATOM 1438 CG TYR A 95 6.456 20.777 -10.375 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.685 21.815 -9.480 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.670 19.711 -9.956 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.148 21.792 -8.207 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.128 19.680 -8.685 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.370 20.722 -7.815 1.00 0.00 C ATOM 1444 OH TYR A 95 4.832 20.694 -6.548 1.00 0.00 O ATOM 0 HA TYR A 95 6.819 22.886 -12.260 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.864 19.848 -12.251 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.128 20.925 -11.691 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.293 22.654 -9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.479 18.893 -10.635 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.336 22.606 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.518 18.844 -8.375 1.00 0.00 H new ATOM 0 HH TYR A 95 4.310 19.873 -6.432 1.00 0.00 H new ATOM 1454 N ASP A 96 6.246 22.303 -15.030 1.00 0.00 N ATOM 1455 CA ASP A 96 6.627 22.228 -16.436 1.00 0.00 C ATOM 1456 C ASP A 96 7.812 23.143 -16.727 1.00 0.00 C ATOM 1457 O ASP A 96 8.813 22.714 -17.301 1.00 0.00 O ATOM 1458 CB ASP A 96 5.443 22.607 -17.327 1.00 0.00 C ATOM 1459 CG ASP A 96 4.417 21.495 -17.431 1.00 0.00 C ATOM 1460 OD1 ASP A 96 4.819 20.314 -17.408 1.00 0.00 O ATOM 1461 OD2 ASP A 96 3.212 21.807 -17.535 1.00 0.00 O ATOM 0 H ASP A 96 5.368 22.792 -14.856 1.00 0.00 H new ATOM 0 HA ASP A 96 6.922 21.201 -16.654 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.965 23.502 -16.930 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.807 22.856 -18.324 1.00 0.00 H new ATOM 1466 N ARG A 97 7.691 24.405 -16.330 1.00 0.00 N ATOM 1467 CA ARG A 97 8.752 25.381 -16.550 1.00 0.00 C ATOM 1468 C ARG A 97 10.041 24.949 -15.857 1.00 0.00 C ATOM 1469 O ARG A 97 11.124 25.019 -16.438 1.00 0.00 O ATOM 1470 CB ARG A 97 8.322 26.757 -16.039 1.00 0.00 C ATOM 1471 CG ARG A 97 7.251 27.416 -16.893 1.00 0.00 C ATOM 1472 CD ARG A 97 6.866 28.783 -16.347 1.00 0.00 C ATOM 1473 NE ARG A 97 6.015 28.680 -15.165 1.00 0.00 N ATOM 1474 CZ ARG A 97 4.730 28.345 -15.212 1.00 0.00 C ATOM 1475 NH1 ARG A 97 4.152 28.082 -16.376 1.00 0.00 N ATOM 1476 NH2 ARG A 97 4.021 28.273 -14.093 1.00 0.00 N ATOM 0 H ARG A 97 6.869 24.776 -15.854 1.00 0.00 H new ATOM 0 HA ARG A 97 8.939 25.441 -17.622 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.951 26.657 -15.019 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.194 27.409 -15.998 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.613 27.520 -17.916 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.369 26.776 -16.930 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.768 29.341 -16.097 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.346 29.349 -17.120 1.00 0.00 H new ATOM 0 HE ARG A 97 6.429 28.876 -14.254 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.694 28.137 -17.238 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.165 27.825 -16.409 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.462 28.475 -13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.035 28.016 -14.130 1.00 0.00 H new ATOM 1490 N VAL A 98 9.916 24.503 -14.611 1.00 0.00 N ATOM 1491 CA VAL A 98 11.070 24.059 -13.839 1.00 0.00 C ATOM 1492 C VAL A 98 11.832 22.960 -14.572 1.00 0.00 C ATOM 1493 O VAL A 98 13.057 23.009 -14.685 1.00 0.00 O ATOM 1494 CB VAL A 98 10.650 23.539 -12.451 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.867 23.077 -11.664 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.888 24.613 -11.689 1.00 0.00 C ATOM 0 H VAL A 98 9.027 24.440 -14.115 1.00 0.00 H new ATOM 0 HA VAL A 98 11.719 24.925 -13.713 1.00 0.00 H new ATOM 0 HB VAL A 98 9.989 22.683 -12.587 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.551 22.713 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.367 22.274 -12.206 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.556 23.912 -11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.599 24.229 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.524 25.489 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.995 24.891 -12.248 1.00 0.00 H new ATOM 1506 N TYR A 99 11.099 21.970 -15.068 1.00 0.00 N ATOM 1507 CA TYR A 99 11.706 20.857 -15.789 1.00 0.00 C ATOM 1508 C TYR A 99 12.321 21.330 -17.103 1.00 0.00 C ATOM 1509 O TYR A 99 13.471 21.019 -17.411 1.00 0.00 O ATOM 1510 CB TYR A 99 10.665 19.771 -16.062 1.00 0.00 C ATOM 1511 CG TYR A 99 11.232 18.547 -16.746 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.007 17.632 -16.045 1.00 0.00 C ATOM 1513 CD2 TYR A 99 10.993 18.307 -18.094 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.528 16.513 -16.666 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.508 17.190 -18.722 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.275 16.296 -18.004 1.00 0.00 C ATOM 1517 OH TYR A 99 12.791 15.183 -18.627 1.00 0.00 O ATOM 0 H TYR A 99 10.084 21.915 -14.984 1.00 0.00 H new ATOM 0 HA TYR A 99 12.499 20.443 -15.166 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.209 19.471 -15.118 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.871 20.188 -16.681 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.206 17.798 -14.997 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.395 19.006 -18.660 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.130 15.812 -16.107 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.311 17.017 -19.770 1.00 0.00 H new ATOM 0 HH TYR A 99 12.519 15.179 -19.568 1.00 0.00 H new ATOM 1527 N ASN A 100 11.544 22.085 -17.874 1.00 0.00 N ATOM 1528 CA ASN A 100 12.011 22.601 -19.156 1.00 0.00 C ATOM 1529 C ASN A 100 13.398 23.222 -19.020 1.00 0.00 C ATOM 1530 O ASN A 100 14.344 22.808 -19.689 1.00 0.00 O ATOM 1531 CB ASN A 100 11.027 23.639 -19.700 1.00 0.00 C ATOM 1532 CG ASN A 100 11.708 24.686 -20.560 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.522 24.361 -21.425 1.00 0.00 O ATOM 1534 ND2 ASN A 100 11.376 25.950 -20.326 1.00 0.00 N ATOM 0 H ASN A 100 10.590 22.353 -17.634 1.00 0.00 H new ATOM 0 HA ASN A 100 12.073 21.767 -19.855 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.259 23.135 -20.286 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.522 24.129 -18.867 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.801 26.699 -20.874 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.696 26.173 -19.599 1.00 0.00 H new ATOM 1541 N GLY A 101 13.512 24.218 -18.146 1.00 0.00 N ATOM 1542 CA GLY A 101 14.787 24.879 -17.937 1.00 0.00 C ATOM 1543 C GLY A 101 15.926 23.897 -17.750 1.00 0.00 C ATOM 1544 O GLY A 101 16.918 23.940 -18.478 1.00 0.00 O ATOM 0 H GLY A 101 12.744 24.579 -17.579 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.003 25.523 -18.790 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.719 25.523 -17.060 1.00 0.00 H new ATOM 1548 N TYR A 102 15.785 23.010 -16.771 1.00 0.00 N ATOM 1549 CA TYR A 102 16.813 22.015 -16.487 1.00 0.00 C ATOM 1550 C TYR A 102 17.284 21.338 -17.770 1.00 0.00 C ATOM 1551 O TYR A 102 18.474 21.337 -18.086 1.00 0.00 O ATOM 1552 CB TYR A 102 16.281 20.967 -15.509 1.00 0.00 C ATOM 1553 CG TYR A 102 17.347 20.034 -14.982 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.506 20.531 -14.397 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.198 18.655 -15.070 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.483 19.683 -13.915 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.170 17.800 -14.589 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.311 18.318 -14.012 1.00 0.00 C ATOM 1559 OH TYR A 102 20.282 17.469 -13.533 1.00 0.00 O ATOM 0 H TYR A 102 14.969 22.960 -16.161 1.00 0.00 H new ATOM 0 HA TYR A 102 17.663 22.526 -16.034 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.806 21.474 -14.669 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.508 20.379 -16.004 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.645 21.599 -14.318 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.307 18.245 -15.522 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.378 20.087 -13.464 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.038 16.731 -14.664 1.00 0.00 H new ATOM 0 HH TYR A 102 20.523 17.730 -12.620 1.00 0.00 H new ATOM 1569 N VAL A 103 16.340 20.761 -18.508 1.00 0.00 N ATOM 1570 CA VAL A 103 16.656 20.080 -19.758 1.00 0.00 C ATOM 1571 C VAL A 103 17.750 20.817 -20.523 1.00 0.00 C ATOM 1572 O VAL A 103 18.816 20.262 -20.790 1.00 0.00 O ATOM 1573 CB VAL A 103 15.412 19.953 -20.658 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.787 19.358 -22.007 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.345 19.112 -19.974 1.00 0.00 C ATOM 0 H VAL A 103 15.350 20.752 -18.261 1.00 0.00 H new ATOM 0 HA VAL A 103 17.008 19.083 -19.495 1.00 0.00 H new ATOM 0 HB VAL A 103 15.004 20.949 -20.828 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.896 19.276 -22.629 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.515 20.003 -22.499 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.220 18.368 -21.861 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.473 19.032 -20.623 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.740 18.116 -19.773 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.056 19.584 -19.035 1.00 0.00 H new ATOM 1585 N ILE A 104 17.478 22.070 -20.873 1.00 0.00 N ATOM 1586 CA ILE A 104 18.440 22.883 -21.606 1.00 0.00 C ATOM 1587 C ILE A 104 19.689 23.143 -20.772 1.00 0.00 C ATOM 1588 O ILE A 104 20.813 23.019 -21.260 1.00 0.00 O ATOM 1589 CB ILE A 104 17.830 24.232 -22.031 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.670 24.008 -23.004 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.892 25.120 -22.660 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.333 23.826 -22.319 1.00 0.00 C ATOM 0 H ILE A 104 16.600 22.544 -20.661 1.00 0.00 H new ATOM 0 HA ILE A 104 18.713 22.320 -22.498 1.00 0.00 H new ATOM 0 HB ILE A 104 17.444 24.734 -21.144 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.608 24.857 -23.684 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.881 23.128 -23.611 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.445 26.069 -22.955 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.688 25.303 -21.938 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.306 24.626 -23.539 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.558 23.672 -23.069 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.377 22.959 -21.660 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.100 24.716 -21.734 1.00 0.00 H new ATOM 1604 N HIS A 105 19.486 23.504 -19.508 1.00 0.00 N ATOM 1605 CA HIS A 105 20.596 23.779 -18.604 1.00 0.00 C ATOM 1606 C HIS A 105 21.688 22.723 -18.746 1.00 0.00 C ATOM 1607 O HIS A 105 22.859 23.048 -18.943 1.00 0.00 O ATOM 1608 CB HIS A 105 20.103 23.829 -17.157 1.00 0.00 C ATOM 1609 CG HIS A 105 21.181 24.147 -16.167 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.567 25.436 -15.864 1.00 0.00 N ATOM 1611 CD2 HIS A 105 21.955 23.336 -15.409 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.533 25.403 -14.963 1.00 0.00 C ATOM 1613 NE2 HIS A 105 22.786 24.141 -14.670 1.00 0.00 N ATOM 0 H HIS A 105 18.563 23.613 -19.088 1.00 0.00 H new ATOM 0 HA HIS A 105 21.017 24.749 -18.870 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.315 24.577 -17.076 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.657 22.868 -16.900 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.169 26.282 -16.272 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.925 22.257 -15.389 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.031 26.262 -14.539 1.00 0.00 H new ATOM 1622 N LEU A 106 21.297 21.458 -18.643 1.00 0.00 N ATOM 1623 CA LEU A 106 22.242 20.353 -18.759 1.00 0.00 C ATOM 1624 C LEU A 106 22.867 20.315 -20.150 1.00 0.00 C ATOM 1625 O LEU A 106 23.983 19.826 -20.327 1.00 0.00 O ATOM 1626 CB LEU A 106 21.542 19.024 -18.466 1.00 0.00 C ATOM 1627 CG LEU A 106 21.366 18.670 -16.989 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.645 17.340 -16.841 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.714 18.629 -16.285 1.00 0.00 C ATOM 0 H LEU A 106 20.332 21.172 -18.479 1.00 0.00 H new ATOM 0 HA LEU A 106 23.035 20.508 -18.028 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.558 19.044 -18.934 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.107 18.225 -18.946 1.00 0.00 H new ATOM 0 HG LEU A 106 20.758 19.444 -16.521 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.529 17.105 -15.783 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.662 17.405 -17.308 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.226 16.555 -17.325 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.569 18.376 -15.235 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.347 17.877 -16.755 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.193 19.605 -16.360 1.00 0.00 H new