USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=13 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 55 MET CE :methyl -105:sc= -0.178 (180deg=-3.62!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -1.53! (180deg=-2.94!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.162 X(o=-0.16,f=-0.55) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -3:sc= -0.569 USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= -0.216 (180deg=-1.81!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 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 K(o=0,f=-0.59) USER MOD Single : A 83 MET CE :methyl -173:sc= -1.72 (180deg=-2.07) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0835 K(o=-0.084,f=-1.6!) 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= -0.729 USER MOD Single : A 100 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.6) USER MOD Single : A 102 TYR OH : rot -160:sc= 0.379 USER MOD Single : A 105 HIS : no HE2:sc= -3.89! C(o=-3.9!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.774 12.046 1.005 1.00 0.00 N ATOM 664 CA LEU A 47 14.407 13.334 1.266 1.00 0.00 C ATOM 665 C LEU A 47 14.591 14.123 -0.026 1.00 0.00 C ATOM 666 O LEU A 47 14.085 15.236 -0.162 1.00 0.00 O ATOM 667 CB LEU A 47 15.761 13.130 1.949 1.00 0.00 C ATOM 668 CG LEU A 47 15.739 13.066 3.477 1.00 0.00 C ATOM 669 CD1 LEU A 47 17.034 12.469 4.004 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.509 14.451 4.065 1.00 0.00 C ATOM 0 HA LEU A 47 13.755 13.904 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.200 12.206 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.423 13.942 1.649 1.00 0.00 H new ATOM 0 HG LEU A 47 14.915 12.422 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.001 12.431 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.157 11.460 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.875 13.087 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.496 14.387 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.312 15.118 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.554 14.842 3.713 1.00 0.00 H new ATOM 682 N GLU A 48 15.316 13.536 -0.974 1.00 0.00 N ATOM 683 CA GLU A 48 15.564 14.185 -2.256 1.00 0.00 C ATOM 684 C GLU A 48 14.287 14.817 -2.802 1.00 0.00 C ATOM 685 O GLU A 48 14.203 16.035 -2.965 1.00 0.00 O ATOM 686 CB GLU A 48 16.119 13.176 -3.264 1.00 0.00 C ATOM 687 CG GLU A 48 17.633 13.055 -3.233 1.00 0.00 C ATOM 688 CD GLU A 48 18.166 12.751 -1.846 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.802 11.694 -1.290 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.946 13.570 -1.318 1.00 0.00 O ATOM 0 H GLU A 48 15.741 12.614 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 48 16.300 14.973 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.681 12.198 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.807 13.468 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.945 12.267 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.075 13.984 -3.593 1.00 0.00 H new ATOM 697 N LYS A 49 13.294 13.981 -3.085 1.00 0.00 N ATOM 698 CA LYS A 49 12.020 14.455 -3.613 1.00 0.00 C ATOM 699 C LYS A 49 11.641 15.796 -2.993 1.00 0.00 C ATOM 700 O LYS A 49 11.295 16.742 -3.701 1.00 0.00 O ATOM 701 CB LYS A 49 10.919 13.427 -3.344 1.00 0.00 C ATOM 702 CG LYS A 49 9.869 13.360 -4.439 1.00 0.00 C ATOM 703 CD LYS A 49 9.313 11.955 -4.594 1.00 0.00 C ATOM 704 CE LYS A 49 10.248 11.071 -5.405 1.00 0.00 C ATOM 705 NZ LYS A 49 11.399 10.588 -4.594 1.00 0.00 N ATOM 0 H LYS A 49 13.347 12.970 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 49 12.128 14.589 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.373 12.443 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.432 13.668 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.057 14.050 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.306 13.686 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.157 11.514 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.339 12.000 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.694 10.217 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.619 11.628 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.729 9.675 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.173 11.282 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.101 10.469 -3.605 1.00 0.00 H new ATOM 719 N ALA A 50 11.708 15.871 -1.668 1.00 0.00 N ATOM 720 CA ALA A 50 11.374 17.097 -0.954 1.00 0.00 C ATOM 721 C ALA A 50 12.290 18.243 -1.374 1.00 0.00 C ATOM 722 O ALA A 50 11.824 19.329 -1.715 1.00 0.00 O ATOM 723 CB ALA A 50 11.460 16.874 0.548 1.00 0.00 C ATOM 0 H ALA A 50 11.991 15.097 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 50 10.351 17.371 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.208 17.798 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.760 16.091 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.473 16.573 0.814 1.00 0.00 H new ATOM 729 N ALA A 51 13.595 17.992 -1.345 1.00 0.00 N ATOM 730 CA ALA A 51 14.575 19.002 -1.723 1.00 0.00 C ATOM 731 C ALA A 51 14.314 19.520 -3.133 1.00 0.00 C ATOM 732 O ALA A 51 13.961 20.684 -3.323 1.00 0.00 O ATOM 733 CB ALA A 51 15.984 18.435 -1.619 1.00 0.00 C ATOM 0 H ALA A 51 13.997 17.098 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 51 14.480 19.841 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.706 19.200 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.175 18.120 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.081 17.578 -2.285 1.00 0.00 H new ATOM 739 N VAL A 52 14.490 18.647 -4.121 1.00 0.00 N ATOM 740 CA VAL A 52 14.273 19.017 -5.515 1.00 0.00 C ATOM 741 C VAL A 52 12.976 19.801 -5.680 1.00 0.00 C ATOM 742 O VAL A 52 12.963 20.885 -6.263 1.00 0.00 O ATOM 743 CB VAL A 52 14.228 17.774 -6.424 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.248 18.183 -7.889 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.386 16.840 -6.107 1.00 0.00 C ATOM 0 H VAL A 52 14.782 17.680 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 52 15.113 19.645 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 52 13.297 17.239 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.216 17.292 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.382 18.809 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.161 18.741 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.338 15.967 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.329 17.362 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.321 16.520 -5.067 1.00 0.00 H new ATOM 755 N LYS A 53 11.886 19.246 -5.162 1.00 0.00 N ATOM 756 CA LYS A 53 10.582 19.893 -5.249 1.00 0.00 C ATOM 757 C LYS A 53 10.634 21.303 -4.669 1.00 0.00 C ATOM 758 O LYS A 53 10.369 22.283 -5.365 1.00 0.00 O ATOM 759 CB LYS A 53 9.528 19.065 -4.512 1.00 0.00 C ATOM 760 CG LYS A 53 9.102 17.815 -5.262 1.00 0.00 C ATOM 761 CD LYS A 53 8.262 18.156 -6.481 1.00 0.00 C ATOM 762 CE LYS A 53 6.855 18.579 -6.088 1.00 0.00 C ATOM 763 NZ LYS A 53 5.966 17.406 -5.859 1.00 0.00 N ATOM 0 H LYS A 53 11.880 18.349 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 53 10.309 19.962 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.921 18.777 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.651 19.687 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.985 17.257 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.533 17.166 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.741 18.959 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.212 17.291 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.898 19.185 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.432 19.207 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.016 17.737 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.905 16.842 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.355 16.820 -5.093 1.00 0.00 H new ATOM 777 N LYS A 54 10.980 21.398 -3.389 1.00 0.00 N ATOM 778 CA LYS A 54 11.070 22.687 -2.714 1.00 0.00 C ATOM 779 C LYS A 54 11.686 23.739 -3.631 1.00 0.00 C ATOM 780 O LYS A 54 11.078 24.774 -3.901 1.00 0.00 O ATOM 781 CB LYS A 54 11.901 22.560 -1.436 1.00 0.00 C ATOM 782 CG LYS A 54 11.077 22.214 -0.207 1.00 0.00 C ATOM 783 CD LYS A 54 11.910 22.288 1.062 1.00 0.00 C ATOM 784 CE LYS A 54 11.152 21.734 2.259 1.00 0.00 C ATOM 785 NZ LYS A 54 11.584 22.374 3.532 1.00 0.00 N ATOM 0 H LYS A 54 11.203 20.597 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 54 10.060 23.004 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.661 21.792 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.426 23.499 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.233 22.899 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.665 21.211 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.835 21.728 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.190 23.324 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.083 21.892 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.309 20.657 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.045 21.970 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.599 22.202 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.411 23.398 3.482 1.00 0.00 H new ATOM 799 N MET A 55 12.897 23.466 -4.107 1.00 0.00 N ATOM 800 CA MET A 55 13.594 24.389 -4.996 1.00 0.00 C ATOM 801 C MET A 55 12.675 24.862 -6.118 1.00 0.00 C ATOM 802 O MET A 55 12.577 26.058 -6.389 1.00 0.00 O ATOM 803 CB MET A 55 14.837 23.720 -5.587 1.00 0.00 C ATOM 804 CG MET A 55 15.846 23.280 -4.539 1.00 0.00 C ATOM 805 SD MET A 55 17.056 24.561 -4.159 1.00 0.00 S ATOM 806 CE MET A 55 18.495 23.934 -5.022 1.00 0.00 C ATOM 0 H MET A 55 13.415 22.614 -3.892 1.00 0.00 H new ATOM 0 HA MET A 55 13.900 25.256 -4.411 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.530 22.852 -6.171 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.320 24.413 -6.276 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.318 23.002 -3.627 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.365 22.389 -4.892 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.199 23.519 -4.301 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.190 23.155 -5.721 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.973 24.746 -5.570 1.00 0.00 H new ATOM 816 N ALA A 56 12.004 23.916 -6.766 1.00 0.00 N ATOM 817 CA ALA A 56 11.092 24.237 -7.856 1.00 0.00 C ATOM 818 C ALA A 56 10.076 25.292 -7.430 1.00 0.00 C ATOM 819 O ALA A 56 9.944 26.336 -8.070 1.00 0.00 O ATOM 820 CB ALA A 56 10.380 22.980 -8.336 1.00 0.00 C ATOM 0 H ALA A 56 12.075 22.921 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 56 11.679 24.646 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.702 23.235 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.116 22.257 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.812 22.547 -7.513 1.00 0.00 H new ATOM 826 N LYS A 57 9.360 25.013 -6.347 1.00 0.00 N ATOM 827 CA LYS A 57 8.356 25.938 -5.834 1.00 0.00 C ATOM 828 C LYS A 57 8.849 27.379 -5.921 1.00 0.00 C ATOM 829 O LYS A 57 8.206 28.229 -6.537 1.00 0.00 O ATOM 830 CB LYS A 57 8.008 25.593 -4.384 1.00 0.00 C ATOM 831 CG LYS A 57 7.490 24.177 -4.203 1.00 0.00 C ATOM 832 CD LYS A 57 6.892 23.974 -2.821 1.00 0.00 C ATOM 833 CE LYS A 57 6.318 22.575 -2.662 1.00 0.00 C ATOM 834 NZ LYS A 57 5.348 22.498 -1.535 1.00 0.00 N ATOM 0 H LYS A 57 9.456 24.153 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 57 7.461 25.841 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.894 25.729 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.256 26.295 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.736 23.965 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.304 23.469 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.658 24.142 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.108 24.712 -2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.824 22.278 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.129 21.867 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.980 21.528 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.825 22.757 -0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.561 23.155 -1.709 1.00 0.00 H new ATOM 848 N ALA A 58 9.994 27.646 -5.301 1.00 0.00 N ATOM 849 CA ALA A 58 10.574 28.983 -5.311 1.00 0.00 C ATOM 850 C ALA A 58 10.587 29.565 -6.721 1.00 0.00 C ATOM 851 O ALA A 58 10.132 30.687 -6.943 1.00 0.00 O ATOM 852 CB ALA A 58 11.983 28.951 -4.738 1.00 0.00 C ATOM 0 H ALA A 58 10.538 26.954 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 58 9.954 29.626 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.404 29.956 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.950 28.585 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.605 28.289 -5.340 1.00 0.00 H new ATOM 858 N ILE A 59 11.112 28.796 -7.669 1.00 0.00 N ATOM 859 CA ILE A 59 11.183 29.235 -9.056 1.00 0.00 C ATOM 860 C ILE A 59 9.824 29.719 -9.550 1.00 0.00 C ATOM 861 O ILE A 59 9.692 30.845 -10.031 1.00 0.00 O ATOM 862 CB ILE A 59 11.680 28.107 -9.980 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.076 27.647 -9.553 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.690 28.574 -11.428 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.543 26.395 -10.262 1.00 0.00 C ATOM 0 H ILE A 59 11.494 27.865 -7.501 1.00 0.00 H new ATOM 0 HA ILE A 59 11.894 30.060 -9.089 1.00 0.00 H new ATOM 0 HB ILE A 59 10.998 27.261 -9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.788 28.450 -9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.078 27.468 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.044 27.766 -12.068 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.681 28.858 -11.726 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.353 29.433 -11.529 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.539 26.128 -9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.852 25.578 -10.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.574 26.576 -11.336 1.00 0.00 H new ATOM 877 N MET A 60 8.816 28.862 -9.427 1.00 0.00 N ATOM 878 CA MET A 60 7.466 29.204 -9.858 1.00 0.00 C ATOM 879 C MET A 60 7.111 30.632 -9.454 1.00 0.00 C ATOM 880 O MET A 60 6.346 31.309 -10.140 1.00 0.00 O ATOM 881 CB MET A 60 6.453 28.226 -9.259 1.00 0.00 C ATOM 882 CG MET A 60 6.705 26.778 -9.646 1.00 0.00 C ATOM 883 SD MET A 60 5.954 26.340 -11.225 1.00 0.00 S ATOM 884 CE MET A 60 4.592 25.313 -10.679 1.00 0.00 C ATOM 0 H MET A 60 8.909 27.926 -9.033 1.00 0.00 H new ATOM 0 HA MET A 60 7.430 29.133 -10.945 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.475 28.312 -8.173 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.451 28.511 -9.581 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.779 26.602 -9.698 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.312 26.124 -8.867 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.030 24.964 -11.545 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.980 24.456 -10.129 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.936 25.894 -10.031 1.00 0.00 H new ATOM 894 N ALA A 61 7.672 31.083 -8.337 1.00 0.00 N ATOM 895 CA ALA A 61 7.416 32.430 -7.844 1.00 0.00 C ATOM 896 C ALA A 61 8.306 33.450 -8.546 1.00 0.00 C ATOM 897 O ALA A 61 7.837 34.502 -8.982 1.00 0.00 O ATOM 898 CB ALA A 61 7.628 32.490 -6.338 1.00 0.00 C ATOM 0 H ALA A 61 8.307 30.535 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 61 6.378 32.680 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.433 33.502 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.946 31.796 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.657 32.215 -6.104 1.00 0.00 H new ATOM 904 N ASP A 62 9.592 33.134 -8.651 1.00 0.00 N ATOM 905 CA ASP A 62 10.548 34.023 -9.301 1.00 0.00 C ATOM 906 C ASP A 62 11.436 33.250 -10.271 1.00 0.00 C ATOM 907 O ASP A 62 11.906 32.150 -9.980 1.00 0.00 O ATOM 908 CB ASP A 62 11.410 34.731 -8.255 1.00 0.00 C ATOM 909 CG ASP A 62 10.685 35.885 -7.591 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.915 36.580 -8.287 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.887 36.094 -6.377 1.00 0.00 O ATOM 0 H ASP A 62 9.997 32.268 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 62 9.988 34.769 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.716 34.013 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.319 35.101 -8.728 1.00 0.00 H new ATOM 916 N PRO A 63 11.670 33.837 -11.454 1.00 0.00 N ATOM 917 CA PRO A 63 12.502 33.221 -12.492 1.00 0.00 C ATOM 918 C PRO A 63 13.977 33.185 -12.107 1.00 0.00 C ATOM 919 O PRO A 63 14.665 32.192 -12.341 1.00 0.00 O ATOM 920 CB PRO A 63 12.289 34.131 -13.705 1.00 0.00 C ATOM 921 CG PRO A 63 11.911 35.451 -13.126 1.00 0.00 C ATOM 922 CD PRO A 63 11.142 35.147 -11.870 1.00 0.00 C ATOM 0 HA PRO A 63 12.228 32.181 -12.669 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.195 34.207 -14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.505 33.745 -14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.796 36.049 -12.907 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.304 36.025 -13.826 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.305 35.907 -11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.069 35.107 -12.056 1.00 0.00 H new ATOM 930 N ASN A 64 14.457 34.274 -11.515 1.00 0.00 N ATOM 931 CA ASN A 64 15.851 34.366 -11.098 1.00 0.00 C ATOM 932 C ASN A 64 16.254 33.147 -10.273 1.00 0.00 C ATOM 933 O ASN A 64 17.355 32.618 -10.423 1.00 0.00 O ATOM 934 CB ASN A 64 16.079 35.643 -10.286 1.00 0.00 C ATOM 935 CG ASN A 64 15.504 36.871 -10.966 1.00 0.00 C ATOM 936 OD1 ASN A 64 14.353 37.240 -10.734 1.00 0.00 O ATOM 937 ND2 ASN A 64 16.305 37.509 -11.811 1.00 0.00 N ATOM 0 H ASN A 64 13.901 35.105 -11.313 1.00 0.00 H new ATOM 0 HA ASN A 64 16.471 34.397 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.625 35.530 -9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.148 35.785 -10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.973 38.341 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.252 37.167 -11.973 1.00 0.00 H new ATOM 944 N LYS A 65 15.353 32.706 -9.401 1.00 0.00 N ATOM 945 CA LYS A 65 15.612 31.549 -8.553 1.00 0.00 C ATOM 946 C LYS A 65 15.912 30.313 -9.395 1.00 0.00 C ATOM 947 O LYS A 65 16.570 29.381 -8.934 1.00 0.00 O ATOM 948 CB LYS A 65 14.411 31.279 -7.643 1.00 0.00 C ATOM 949 CG LYS A 65 14.080 32.434 -6.714 1.00 0.00 C ATOM 950 CD LYS A 65 15.117 32.579 -5.613 1.00 0.00 C ATOM 951 CE LYS A 65 14.936 31.522 -4.534 1.00 0.00 C ATOM 952 NZ LYS A 65 13.914 31.926 -3.529 1.00 0.00 N ATOM 0 H LYS A 65 14.437 33.133 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 65 16.485 31.769 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.540 31.059 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.611 30.389 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.025 33.359 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.097 32.275 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.117 32.497 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.041 33.571 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.640 30.580 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.888 31.347 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.820 31.180 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.209 32.812 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.999 32.069 -4.002 1.00 0.00 H new ATOM 966 N ALA A 66 15.428 30.314 -10.633 1.00 0.00 N ATOM 967 CA ALA A 66 15.648 29.195 -11.540 1.00 0.00 C ATOM 968 C ALA A 66 17.126 29.050 -11.885 1.00 0.00 C ATOM 969 O ALA A 66 17.684 27.954 -11.820 1.00 0.00 O ATOM 970 CB ALA A 66 14.824 29.372 -12.807 1.00 0.00 C ATOM 0 H ALA A 66 14.881 31.078 -11.030 1.00 0.00 H new ATOM 0 HA ALA A 66 15.328 28.283 -11.036 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.998 28.529 -13.475 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.766 29.418 -12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.117 30.296 -13.305 1.00 0.00 H new ATOM 976 N ASP A 67 17.755 30.161 -12.251 1.00 0.00 N ATOM 977 CA ASP A 67 19.170 30.158 -12.605 1.00 0.00 C ATOM 978 C ASP A 67 20.006 29.527 -11.497 1.00 0.00 C ATOM 979 O ASP A 67 20.709 28.543 -11.721 1.00 0.00 O ATOM 980 CB ASP A 67 19.653 31.584 -12.877 1.00 0.00 C ATOM 981 CG ASP A 67 21.129 31.761 -12.581 1.00 0.00 C ATOM 982 OD1 ASP A 67 21.945 31.028 -13.177 1.00 0.00 O ATOM 983 OD2 ASP A 67 21.468 32.632 -11.753 1.00 0.00 O ATOM 0 H ASP A 67 17.308 31.076 -12.310 1.00 0.00 H new ATOM 0 HA ASP A 67 19.291 29.563 -13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.462 31.837 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.077 32.282 -12.269 1.00 0.00 H new ATOM 988 N GLU A 68 19.925 30.102 -10.301 1.00 0.00 N ATOM 989 CA GLU A 68 20.677 29.595 -9.158 1.00 0.00 C ATOM 990 C GLU A 68 20.522 28.083 -9.032 1.00 0.00 C ATOM 991 O GLU A 68 21.508 27.354 -8.916 1.00 0.00 O ATOM 992 CB GLU A 68 20.209 30.276 -7.870 1.00 0.00 C ATOM 993 CG GLU A 68 18.698 30.328 -7.724 1.00 0.00 C ATOM 994 CD GLU A 68 18.255 31.160 -6.535 1.00 0.00 C ATOM 995 OE1 GLU A 68 18.236 32.403 -6.655 1.00 0.00 O ATOM 996 OE2 GLU A 68 17.927 30.568 -5.486 1.00 0.00 O ATOM 0 H GLU A 68 19.347 30.918 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 68 21.731 29.822 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.630 29.747 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.604 31.292 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.263 30.741 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.312 29.314 -7.617 1.00 0.00 H new ATOM 1003 N VAL A 69 19.277 27.617 -9.056 1.00 0.00 N ATOM 1004 CA VAL A 69 18.992 26.191 -8.945 1.00 0.00 C ATOM 1005 C VAL A 69 19.612 25.415 -10.102 1.00 0.00 C ATOM 1006 O VAL A 69 20.492 24.578 -9.901 1.00 0.00 O ATOM 1007 CB VAL A 69 17.476 25.923 -8.915 1.00 0.00 C ATOM 1008 CG1 VAL A 69 17.199 24.450 -8.653 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.801 26.795 -7.868 1.00 0.00 C ATOM 0 H VAL A 69 18.450 28.206 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 69 19.432 25.852 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 69 17.061 26.179 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.123 24.280 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.648 23.849 -9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.627 24.165 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.730 26.592 -7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.219 26.574 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.970 27.845 -8.106 1.00 0.00 H new ATOM 1019 N TYR A 70 19.147 25.699 -11.314 1.00 0.00 N ATOM 1020 CA TYR A 70 19.654 25.027 -12.504 1.00 0.00 C ATOM 1021 C TYR A 70 21.142 24.717 -12.363 1.00 0.00 C ATOM 1022 O TYR A 70 21.613 23.666 -12.796 1.00 0.00 O ATOM 1023 CB TYR A 70 19.417 25.891 -13.743 1.00 0.00 C ATOM 1024 CG TYR A 70 17.960 26.007 -14.131 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.128 24.894 -14.122 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.416 27.229 -14.507 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.797 24.996 -14.476 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.086 27.340 -14.860 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.280 26.221 -14.844 1.00 0.00 C ATOM 1030 OH TYR A 70 13.954 26.327 -15.197 1.00 0.00 O ATOM 0 H TYR A 70 18.420 26.390 -11.498 1.00 0.00 H new ATOM 0 HA TYR A 70 19.115 24.086 -12.616 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.816 26.889 -13.562 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.975 25.472 -14.580 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.529 23.934 -13.833 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.044 28.107 -14.523 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.164 24.121 -14.465 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.679 28.298 -15.147 1.00 0.00 H new ATOM 0 HH TYR A 70 13.539 25.439 -15.180 1.00 0.00 H new ATOM 1040 N LYS A 71 21.876 25.641 -11.752 1.00 0.00 N ATOM 1041 CA LYS A 71 23.310 25.469 -11.550 1.00 0.00 C ATOM 1042 C LYS A 71 23.586 24.570 -10.349 1.00 0.00 C ATOM 1043 O LYS A 71 24.431 23.677 -10.410 1.00 0.00 O ATOM 1044 CB LYS A 71 23.984 26.828 -11.350 1.00 0.00 C ATOM 1045 CG LYS A 71 24.039 27.672 -12.612 1.00 0.00 C ATOM 1046 CD LYS A 71 24.601 29.055 -12.333 1.00 0.00 C ATOM 1047 CE LYS A 71 26.122 29.047 -12.319 1.00 0.00 C ATOM 1048 NZ LYS A 71 26.662 28.625 -10.998 1.00 0.00 N ATOM 0 H LYS A 71 21.501 26.517 -11.388 1.00 0.00 H new ATOM 0 HA LYS A 71 23.723 24.993 -12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.448 27.379 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.999 26.671 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.655 27.172 -13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.038 27.763 -13.034 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.247 29.753 -13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.229 29.413 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.489 28.373 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.493 30.043 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 27.499 29.197 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.936 28.762 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.929 27.621 -11.037 1.00 0.00 H new ATOM 1062 N LYS A 72 22.867 24.812 -9.258 1.00 0.00 N ATOM 1063 CA LYS A 72 23.033 24.023 -8.042 1.00 0.00 C ATOM 1064 C LYS A 72 22.774 22.544 -8.314 1.00 0.00 C ATOM 1065 O LYS A 72 23.634 21.699 -8.068 1.00 0.00 O ATOM 1066 CB LYS A 72 22.085 24.525 -6.951 1.00 0.00 C ATOM 1067 CG LYS A 72 22.616 25.728 -6.190 1.00 0.00 C ATOM 1068 CD LYS A 72 21.490 26.534 -5.565 1.00 0.00 C ATOM 1069 CE LYS A 72 22.027 27.640 -4.670 1.00 0.00 C ATOM 1070 NZ LYS A 72 20.935 28.343 -3.941 1.00 0.00 N ATOM 0 H LYS A 72 22.164 25.548 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 72 24.062 24.137 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.129 24.786 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.894 23.715 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.301 25.393 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.188 26.364 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.872 26.968 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.848 25.873 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.729 27.217 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.582 28.358 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.342 29.089 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.278 28.768 -4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.421 27.663 -3.345 1.00 0.00 H new ATOM 1084 N TRP A 73 21.586 22.240 -8.823 1.00 0.00 N ATOM 1085 CA TRP A 73 21.215 20.863 -9.129 1.00 0.00 C ATOM 1086 C TRP A 73 22.364 20.129 -9.811 1.00 0.00 C ATOM 1087 O TRP A 73 22.970 19.230 -9.230 1.00 0.00 O ATOM 1088 CB TRP A 73 19.973 20.834 -10.022 1.00 0.00 C ATOM 1089 CG TRP A 73 18.690 20.962 -9.258 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.463 20.579 -7.967 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.458 21.510 -9.739 1.00 0.00 C ATOM 1092 NE1 TRP A 73 17.163 20.855 -7.617 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.526 21.427 -8.686 1.00 0.00 C ATOM 1094 CE3 TRP A 73 17.051 22.063 -10.956 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.215 21.877 -8.816 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.750 22.509 -11.084 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.844 22.414 -10.019 1.00 0.00 C ATOM 0 H TRP A 73 20.863 22.928 -9.033 1.00 0.00 H new ATOM 0 HA TRP A 73 20.991 20.356 -8.191 1.00 0.00 H new ATOM 0 HB2 TRP A 73 20.037 21.644 -10.748 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.961 19.901 -10.585 1.00 0.00 H new ATOM 0 HD1 TRP A 73 19.197 20.126 -7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.741 20.665 -6.708 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.742 22.140 -11.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.515 21.805 -7.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.426 22.938 -12.020 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.833 22.772 -10.150 1.00 0.00 H new ATOM 1108 N ALA A 74 22.659 20.519 -11.047 1.00 0.00 N ATOM 1109 CA ALA A 74 23.737 19.899 -11.807 1.00 0.00 C ATOM 1110 C ALA A 74 24.900 19.516 -10.898 1.00 0.00 C ATOM 1111 O ALA A 74 25.554 18.495 -11.108 1.00 0.00 O ATOM 1112 CB ALA A 74 24.213 20.835 -12.908 1.00 0.00 C ATOM 0 H ALA A 74 22.166 21.262 -11.543 1.00 0.00 H new ATOM 0 HA ALA A 74 23.349 18.987 -12.262 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.018 20.359 -13.467 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.385 21.056 -13.581 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.578 21.762 -12.465 1.00 0.00 H new ATOM 1118 N ASP A 75 25.152 20.341 -9.887 1.00 0.00 N ATOM 1119 CA ASP A 75 26.236 20.088 -8.945 1.00 0.00 C ATOM 1120 C ASP A 75 25.994 18.794 -8.174 1.00 0.00 C ATOM 1121 O ASP A 75 26.849 17.909 -8.140 1.00 0.00 O ATOM 1122 CB ASP A 75 26.377 21.258 -7.971 1.00 0.00 C ATOM 1123 CG ASP A 75 27.728 21.279 -7.283 1.00 0.00 C ATOM 1124 OD1 ASP A 75 27.928 20.479 -6.345 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.585 22.096 -7.681 1.00 0.00 O ATOM 0 H ASP A 75 24.620 21.191 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 75 27.161 19.985 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.232 22.195 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.590 21.198 -7.219 1.00 0.00 H new ATOM 1130 N LYS A 76 24.823 18.691 -7.554 1.00 0.00 N ATOM 1131 CA LYS A 76 24.467 17.506 -6.782 1.00 0.00 C ATOM 1132 C LYS A 76 24.714 16.236 -7.591 1.00 0.00 C ATOM 1133 O LYS A 76 25.245 15.254 -7.075 1.00 0.00 O ATOM 1134 CB LYS A 76 23.000 17.573 -6.353 1.00 0.00 C ATOM 1135 CG LYS A 76 22.757 18.474 -5.154 1.00 0.00 C ATOM 1136 CD LYS A 76 22.787 19.942 -5.545 1.00 0.00 C ATOM 1137 CE LYS A 76 22.036 20.801 -4.539 1.00 0.00 C ATOM 1138 NZ LYS A 76 20.565 20.771 -4.773 1.00 0.00 N ATOM 0 H LYS A 76 24.104 19.414 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 76 25.098 17.479 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.401 17.929 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.653 16.567 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.792 18.235 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 76 23.515 18.283 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.821 20.280 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.344 20.066 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.250 20.450 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.393 21.829 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.089 21.368 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.358 21.130 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.220 19.794 -4.689 1.00 0.00 H new ATOM 1152 N GLY A 77 24.326 16.264 -8.862 1.00 0.00 N ATOM 1153 CA GLY A 77 24.514 15.110 -9.721 1.00 0.00 C ATOM 1154 C GLY A 77 23.201 14.485 -10.149 1.00 0.00 C ATOM 1155 O GLY A 77 23.073 13.261 -10.191 1.00 0.00 O ATOM 0 H GLY A 77 23.885 17.066 -9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.077 15.408 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.114 14.365 -9.198 1.00 0.00 H new ATOM 1159 N TYR A 78 22.223 15.326 -10.466 1.00 0.00 N ATOM 1160 CA TYR A 78 20.912 14.849 -10.889 1.00 0.00 C ATOM 1161 C TYR A 78 20.827 14.769 -12.411 1.00 0.00 C ATOM 1162 O TYR A 78 21.591 15.419 -13.123 1.00 0.00 O ATOM 1163 CB TYR A 78 19.814 15.769 -10.354 1.00 0.00 C ATOM 1164 CG TYR A 78 19.817 15.902 -8.847 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.799 14.778 -8.031 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.837 17.152 -8.240 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.800 14.894 -6.655 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.841 17.278 -6.865 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.822 16.146 -6.076 1.00 0.00 C ATOM 1170 OH TYR A 78 19.824 16.268 -4.706 1.00 0.00 O ATOM 0 H TYR A 78 22.313 16.342 -10.438 1.00 0.00 H new ATOM 0 HA TYR A 78 20.769 13.848 -10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.931 16.758 -10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.844 15.389 -10.675 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.784 13.796 -8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.850 18.040 -8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.784 14.009 -6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.859 18.257 -6.410 1.00 0.00 H new ATOM 0 HH TYR A 78 19.842 17.217 -4.462 1.00 0.00 H new ATOM 1180 N THR A 79 19.889 13.965 -12.902 1.00 0.00 N ATOM 1181 CA THR A 79 19.701 13.797 -14.338 1.00 0.00 C ATOM 1182 C THR A 79 18.221 13.761 -14.699 1.00 0.00 C ATOM 1183 O THR A 79 17.382 13.371 -13.885 1.00 0.00 O ATOM 1184 CB THR A 79 20.374 12.508 -14.845 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.979 11.397 -14.033 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.889 12.644 -14.826 1.00 0.00 C ATOM 0 H THR A 79 19.247 13.420 -12.326 1.00 0.00 H new ATOM 0 HA THR A 79 20.168 14.656 -14.820 1.00 0.00 H new ATOM 0 HB THR A 79 20.054 12.338 -15.873 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.410 10.581 -14.363 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.342 11.721 -15.188 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.188 13.472 -15.469 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.224 12.837 -13.807 1.00 0.00 H new ATOM 1194 N LEU A 80 17.905 14.169 -15.923 1.00 0.00 N ATOM 1195 CA LEU A 80 16.524 14.182 -16.392 1.00 0.00 C ATOM 1196 C LEU A 80 15.739 13.011 -15.810 1.00 0.00 C ATOM 1197 O LEU A 80 14.602 13.170 -15.365 1.00 0.00 O ATOM 1198 CB LEU A 80 16.483 14.128 -17.920 1.00 0.00 C ATOM 1199 CG LEU A 80 17.210 15.258 -18.651 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.226 15.000 -20.150 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.555 16.597 -18.347 1.00 0.00 C ATOM 0 H LEU A 80 18.586 14.495 -16.609 1.00 0.00 H new ATOM 0 HA LEU A 80 16.061 15.109 -16.054 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.912 13.179 -18.242 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.440 14.130 -18.236 1.00 0.00 H new ATOM 0 HG LEU A 80 18.240 15.290 -18.297 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.747 15.814 -20.654 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.740 14.060 -20.352 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.202 14.941 -20.520 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.085 17.390 -18.875 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.515 16.576 -18.673 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.595 16.786 -17.274 1.00 0.00 H new ATOM 1213 N THR A 81 16.355 11.833 -15.813 1.00 0.00 N ATOM 1214 CA THR A 81 15.716 10.634 -15.284 1.00 0.00 C ATOM 1215 C THR A 81 15.281 10.836 -13.837 1.00 0.00 C ATOM 1216 O THR A 81 14.114 10.643 -13.499 1.00 0.00 O ATOM 1217 CB THR A 81 16.655 9.416 -15.360 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.017 9.161 -16.722 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.991 8.183 -14.767 1.00 0.00 C ATOM 0 H THR A 81 17.296 11.684 -16.176 1.00 0.00 H new ATOM 0 HA THR A 81 14.838 10.445 -15.902 1.00 0.00 H new ATOM 0 HB THR A 81 17.552 9.639 -14.782 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.616 8.386 -16.762 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.673 7.336 -14.832 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.743 8.370 -13.722 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.080 7.958 -15.321 1.00 0.00 H new ATOM 1227 N GLN A 82 16.226 11.227 -12.989 1.00 0.00 N ATOM 1228 CA GLN A 82 15.939 11.456 -11.578 1.00 0.00 C ATOM 1229 C GLN A 82 15.187 12.768 -11.381 1.00 0.00 C ATOM 1230 O GLN A 82 14.090 12.789 -10.825 1.00 0.00 O ATOM 1231 CB GLN A 82 17.236 11.470 -10.767 1.00 0.00 C ATOM 1232 CG GLN A 82 18.009 10.162 -10.833 1.00 0.00 C ATOM 1233 CD GLN A 82 17.457 9.110 -9.892 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.373 8.569 -10.114 1.00 0.00 O ATOM 1235 NE2 GLN A 82 18.201 8.813 -8.833 1.00 0.00 N ATOM 0 H GLN A 82 17.197 11.392 -13.254 1.00 0.00 H new ATOM 0 HA GLN A 82 15.308 10.641 -11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.873 12.277 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.001 11.692 -9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.983 9.780 -11.854 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.055 10.350 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.093 9.286 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.880 8.112 -8.165 1.00 0.00 H new ATOM 1244 N MET A 83 15.787 13.862 -11.840 1.00 0.00 N ATOM 1245 CA MET A 83 15.173 15.179 -11.714 1.00 0.00 C ATOM 1246 C MET A 83 13.658 15.090 -11.869 1.00 0.00 C ATOM 1247 O MET A 83 12.911 15.365 -10.930 1.00 0.00 O ATOM 1248 CB MET A 83 15.749 16.136 -12.760 1.00 0.00 C ATOM 1249 CG MET A 83 15.084 17.502 -12.765 1.00 0.00 C ATOM 1250 SD MET A 83 15.223 18.348 -11.178 1.00 0.00 S ATOM 1251 CE MET A 83 17.000 18.373 -10.962 1.00 0.00 C ATOM 0 H MET A 83 16.696 13.863 -12.302 1.00 0.00 H new ATOM 0 HA MET A 83 15.397 15.563 -10.719 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.816 16.261 -12.577 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.645 15.687 -13.748 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.536 18.119 -13.542 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.031 17.388 -13.021 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.240 18.752 -9.969 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.394 17.362 -11.070 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.449 19.020 -11.716 1.00 0.00 H new ATOM 1261 N SER A 84 13.212 14.705 -13.061 1.00 0.00 N ATOM 1262 CA SER A 84 11.786 14.584 -13.340 1.00 0.00 C ATOM 1263 C SER A 84 11.087 13.768 -12.256 1.00 0.00 C ATOM 1264 O SER A 84 10.132 14.232 -11.634 1.00 0.00 O ATOM 1265 CB SER A 84 11.565 13.931 -14.706 1.00 0.00 C ATOM 1266 OG SER A 84 10.218 13.523 -14.865 1.00 0.00 O ATOM 0 H SER A 84 13.817 14.472 -13.848 1.00 0.00 H new ATOM 0 HA SER A 84 11.357 15.586 -13.350 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.831 14.634 -15.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.224 13.069 -14.811 1.00 0.00 H new ATOM 0 HG SER A 84 10.103 13.110 -15.746 1.00 0.00 H new ATOM 1272 N ASN A 85 11.572 12.551 -12.035 1.00 0.00 N ATOM 1273 CA ASN A 85 10.995 11.669 -11.026 1.00 0.00 C ATOM 1274 C ASN A 85 10.697 12.435 -9.741 1.00 0.00 C ATOM 1275 O ASN A 85 9.740 12.128 -9.030 1.00 0.00 O ATOM 1276 CB ASN A 85 11.944 10.506 -10.733 1.00 0.00 C ATOM 1277 CG ASN A 85 11.745 9.343 -11.686 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.965 9.429 -12.634 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.452 8.247 -11.437 1.00 0.00 N ATOM 0 H ASN A 85 12.363 12.152 -12.541 1.00 0.00 H new ATOM 0 HA ASN A 85 10.058 11.274 -11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.974 10.855 -10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.790 10.164 -9.710 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.360 7.432 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.087 8.220 -10.639 1.00 0.00 H new ATOM 1286 N PHE A 86 11.525 13.433 -9.448 1.00 0.00 N ATOM 1287 CA PHE A 86 11.351 14.243 -8.248 1.00 0.00 C ATOM 1288 C PHE A 86 10.250 15.280 -8.446 1.00 0.00 C ATOM 1289 O PHE A 86 9.364 15.431 -7.603 1.00 0.00 O ATOM 1290 CB PHE A 86 12.664 14.940 -7.883 1.00 0.00 C ATOM 1291 CG PHE A 86 13.755 13.990 -7.481 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.552 13.072 -6.463 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.984 14.015 -8.120 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.554 12.196 -6.090 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.990 13.141 -7.752 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.775 12.231 -6.735 1.00 0.00 C ATOM 0 H PHE A 86 12.323 13.700 -10.025 1.00 0.00 H new ATOM 0 HA PHE A 86 11.059 13.581 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.002 15.530 -8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.481 15.637 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.599 13.041 -5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.158 14.725 -8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.382 11.485 -5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.943 13.170 -8.259 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.560 11.548 -6.445 1.00 0.00 H new ATOM 1306 N LEU A 87 10.311 15.993 -9.566 1.00 0.00 N ATOM 1307 CA LEU A 87 9.320 17.017 -9.876 1.00 0.00 C ATOM 1308 C LEU A 87 8.105 16.407 -10.567 1.00 0.00 C ATOM 1309 O LEU A 87 7.427 17.068 -11.355 1.00 0.00 O ATOM 1310 CB LEU A 87 9.936 18.099 -10.764 1.00 0.00 C ATOM 1311 CG LEU A 87 11.173 18.802 -10.205 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.881 19.587 -11.298 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.791 19.717 -9.051 1.00 0.00 C ATOM 0 H LEU A 87 11.036 15.880 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 87 8.994 17.468 -8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.200 17.649 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.175 18.852 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 87 11.859 18.043 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.759 20.080 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.190 18.907 -12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.203 20.337 -11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.684 20.209 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.085 20.470 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.330 19.129 -8.258 1.00 0.00 H new ATOM 1325 N LYS A 88 7.832 15.142 -10.266 1.00 0.00 N ATOM 1326 CA LYS A 88 6.696 14.442 -10.855 1.00 0.00 C ATOM 1327 C LYS A 88 5.379 15.010 -10.337 1.00 0.00 C ATOM 1328 O LYS A 88 4.461 15.280 -11.111 1.00 0.00 O ATOM 1329 CB LYS A 88 6.776 12.945 -10.543 1.00 0.00 C ATOM 1330 CG LYS A 88 6.729 12.630 -9.058 1.00 0.00 C ATOM 1331 CD LYS A 88 6.848 11.137 -8.802 1.00 0.00 C ATOM 1332 CE LYS A 88 5.518 10.428 -9.012 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.632 8.960 -8.792 1.00 0.00 N ATOM 0 H LYS A 88 8.382 14.580 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 88 6.733 14.585 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.952 12.434 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.699 12.544 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.538 13.153 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.794 12.999 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.598 10.711 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.195 10.968 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.775 10.841 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.161 10.617 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.705 8.513 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.323 8.562 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.948 8.778 -7.818 1.00 0.00 H new ATOM 1433 N TYR A 95 5.140 20.257 -13.090 1.00 0.00 N ATOM 1434 CA TYR A 95 6.309 21.123 -12.993 1.00 0.00 C ATOM 1435 C TYR A 95 7.072 21.160 -14.314 1.00 0.00 C ATOM 1436 O TYR A 95 8.303 21.159 -14.333 1.00 0.00 O ATOM 1437 CB TYR A 95 7.232 20.645 -11.871 1.00 0.00 C ATOM 1438 CG TYR A 95 6.710 20.952 -10.485 1.00 0.00 C ATOM 1439 CD1 TYR A 95 5.774 20.126 -9.876 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.154 22.067 -9.785 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.294 20.402 -8.610 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.681 22.351 -8.519 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.751 21.516 -7.936 1.00 0.00 C ATOM 1444 OH TYR A 95 5.276 21.794 -6.675 1.00 0.00 O ATOM 0 HA TYR A 95 5.964 22.132 -12.766 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.377 19.569 -11.965 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.210 21.111 -11.993 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.415 19.253 -10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.882 22.723 -10.239 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.566 19.750 -8.151 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.037 23.222 -7.989 1.00 0.00 H new ATOM 0 HH TYR A 95 5.699 22.612 -6.339 1.00 0.00 H new ATOM 1454 N ASP A 96 6.331 21.194 -15.416 1.00 0.00 N ATOM 1455 CA ASP A 96 6.936 21.233 -16.742 1.00 0.00 C ATOM 1456 C ASP A 96 7.680 22.546 -16.962 1.00 0.00 C ATOM 1457 O ASP A 96 8.719 22.580 -17.621 1.00 0.00 O ATOM 1458 CB ASP A 96 5.866 21.052 -17.820 1.00 0.00 C ATOM 1459 CG ASP A 96 6.434 20.505 -19.115 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.603 20.815 -19.427 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.710 19.768 -19.816 1.00 0.00 O ATOM 0 H ASP A 96 5.311 21.195 -15.417 1.00 0.00 H new ATOM 0 HA ASP A 96 7.652 20.414 -16.811 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.094 20.376 -17.451 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.385 22.010 -18.014 1.00 0.00 H new ATOM 1466 N ARG A 97 7.140 23.626 -16.406 1.00 0.00 N ATOM 1467 CA ARG A 97 7.751 24.943 -16.543 1.00 0.00 C ATOM 1468 C ARG A 97 9.158 24.953 -15.952 1.00 0.00 C ATOM 1469 O ARG A 97 10.040 25.663 -16.434 1.00 0.00 O ATOM 1470 CB ARG A 97 6.889 26.003 -15.855 1.00 0.00 C ATOM 1471 CG ARG A 97 7.017 27.386 -16.472 1.00 0.00 C ATOM 1472 CD ARG A 97 6.497 28.464 -15.535 1.00 0.00 C ATOM 1473 NE ARG A 97 7.524 28.921 -14.603 1.00 0.00 N ATOM 1474 CZ ARG A 97 8.629 29.555 -14.979 1.00 0.00 C ATOM 1475 NH1 ARG A 97 8.848 29.807 -16.262 1.00 0.00 N ATOM 1476 NH2 ARG A 97 9.517 29.939 -14.071 1.00 0.00 N ATOM 0 H ARG A 97 6.281 23.615 -15.857 1.00 0.00 H new ATOM 0 HA ARG A 97 7.820 25.175 -17.606 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.845 25.692 -15.895 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.166 26.057 -14.802 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.062 27.584 -16.711 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.463 27.420 -17.410 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.136 29.310 -16.120 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.645 28.078 -14.975 1.00 0.00 H new ATOM 0 HE ARG A 97 7.385 28.744 -13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.167 29.514 -16.963 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.697 30.294 -16.548 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.352 29.747 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.365 30.426 -14.361 1.00 0.00 H new ATOM 1490 N VAL A 98 9.359 24.161 -14.903 1.00 0.00 N ATOM 1491 CA VAL A 98 10.658 24.079 -14.246 1.00 0.00 C ATOM 1492 C VAL A 98 11.553 23.048 -14.924 1.00 0.00 C ATOM 1493 O VAL A 98 12.735 23.298 -15.164 1.00 0.00 O ATOM 1494 CB VAL A 98 10.512 23.715 -12.756 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.878 23.601 -12.097 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.648 24.742 -12.039 1.00 0.00 C ATOM 0 H VAL A 98 8.639 23.568 -14.490 1.00 0.00 H new ATOM 0 HA VAL A 98 11.117 25.064 -14.328 1.00 0.00 H new ATOM 0 HB VAL A 98 10.019 22.745 -12.683 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.754 23.343 -11.045 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.459 22.824 -12.595 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.402 24.554 -12.178 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.555 24.469 -10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.110 25.726 -12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.659 24.768 -12.496 1.00 0.00 H new ATOM 1506 N TYR A 99 10.983 21.889 -15.231 1.00 0.00 N ATOM 1507 CA TYR A 99 11.729 20.818 -15.881 1.00 0.00 C ATOM 1508 C TYR A 99 12.348 21.301 -17.189 1.00 0.00 C ATOM 1509 O TYR A 99 13.482 20.954 -17.517 1.00 0.00 O ATOM 1510 CB TYR A 99 10.816 19.620 -16.148 1.00 0.00 C ATOM 1511 CG TYR A 99 11.520 18.457 -16.808 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.316 17.591 -16.069 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.390 18.223 -18.172 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.963 16.527 -16.668 1.00 0.00 C ATOM 1515 CE2 TYR A 99 12.031 17.161 -18.779 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.817 16.316 -18.023 1.00 0.00 C ATOM 1517 OH TYR A 99 13.458 15.258 -18.624 1.00 0.00 O ATOM 0 H TYR A 99 10.006 21.667 -15.040 1.00 0.00 H new ATOM 0 HA TYR A 99 12.532 20.512 -15.211 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.385 19.285 -15.204 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.988 19.939 -16.781 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.431 17.752 -15.007 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.777 18.883 -18.768 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.579 15.865 -16.078 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.918 16.993 -19.840 1.00 0.00 H new ATOM 0 HH TYR A 99 13.250 15.251 -19.582 1.00 0.00 H new ATOM 1527 N ASN A 100 11.594 22.105 -17.931 1.00 0.00 N ATOM 1528 CA ASN A 100 12.067 22.637 -19.204 1.00 0.00 C ATOM 1529 C ASN A 100 13.455 23.252 -19.054 1.00 0.00 C ATOM 1530 O ASN A 100 14.428 22.764 -19.628 1.00 0.00 O ATOM 1531 CB ASN A 100 11.088 23.684 -19.739 1.00 0.00 C ATOM 1532 CG ASN A 100 11.406 24.099 -21.162 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.101 23.388 -21.888 1.00 0.00 O ATOM 1534 ND2 ASN A 100 10.897 25.256 -21.569 1.00 0.00 N ATOM 0 H ASN A 100 10.653 22.403 -17.673 1.00 0.00 H new ATOM 0 HA ASN A 100 12.129 21.812 -19.914 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.075 23.284 -19.698 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.111 24.562 -19.094 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.077 25.587 -22.517 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.326 25.814 -20.934 1.00 0.00 H new ATOM 1541 N GLY A 101 13.539 24.328 -18.277 1.00 0.00 N ATOM 1542 CA GLY A 101 14.812 24.992 -18.064 1.00 0.00 C ATOM 1543 C GLY A 101 15.958 24.013 -17.907 1.00 0.00 C ATOM 1544 O GLY A 101 16.872 23.978 -18.731 1.00 0.00 O ATOM 0 H GLY A 101 12.748 24.752 -17.791 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.017 25.655 -18.904 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.748 25.617 -17.173 1.00 0.00 H new ATOM 1548 N TYR A 102 15.911 23.216 -16.845 1.00 0.00 N ATOM 1549 CA TYR A 102 16.956 22.234 -16.579 1.00 0.00 C ATOM 1550 C TYR A 102 17.417 21.567 -17.871 1.00 0.00 C ATOM 1551 O TYR A 102 18.582 21.674 -18.257 1.00 0.00 O ATOM 1552 CB TYR A 102 16.452 21.175 -15.597 1.00 0.00 C ATOM 1553 CG TYR A 102 17.554 20.329 -15.001 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.733 20.907 -14.547 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.417 18.950 -14.893 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.743 20.138 -14.003 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.421 18.173 -14.349 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.582 18.771 -13.906 1.00 0.00 C ATOM 1559 OH TYR A 102 20.585 18.001 -13.364 1.00 0.00 O ATOM 0 H TYR A 102 15.161 23.231 -16.154 1.00 0.00 H new ATOM 0 HA TYR A 102 17.805 22.755 -16.137 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.908 21.668 -14.791 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.743 20.525 -16.109 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.862 21.977 -14.621 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.510 18.478 -15.240 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.653 20.604 -13.656 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.297 17.103 -14.271 1.00 0.00 H new ATOM 0 HH TYR A 102 20.474 17.071 -13.651 1.00 0.00 H new ATOM 1569 N VAL A 103 16.495 20.878 -18.536 1.00 0.00 N ATOM 1570 CA VAL A 103 16.805 20.195 -19.786 1.00 0.00 C ATOM 1571 C VAL A 103 17.829 20.976 -20.601 1.00 0.00 C ATOM 1572 O VAL A 103 18.901 20.464 -20.926 1.00 0.00 O ATOM 1573 CB VAL A 103 15.540 19.983 -20.639 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.908 19.464 -22.020 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.580 19.032 -19.940 1.00 0.00 C ATOM 0 H VAL A 103 15.527 20.778 -18.230 1.00 0.00 H new ATOM 0 HA VAL A 103 17.222 19.224 -19.520 1.00 0.00 H new ATOM 0 HB VAL A 103 15.039 20.943 -20.761 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.002 19.320 -22.608 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.554 20.186 -22.520 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.432 18.513 -21.924 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.692 18.893 -20.556 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.069 18.070 -19.786 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.291 19.450 -18.976 1.00 0.00 H new ATOM 1585 N ILE A 104 17.493 22.220 -20.927 1.00 0.00 N ATOM 1586 CA ILE A 104 18.384 23.073 -21.703 1.00 0.00 C ATOM 1587 C ILE A 104 19.655 23.394 -20.923 1.00 0.00 C ATOM 1588 O ILE A 104 20.755 23.383 -21.476 1.00 0.00 O ATOM 1589 CB ILE A 104 17.695 24.391 -22.104 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.487 24.108 -22.999 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.680 25.310 -22.810 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.202 23.892 -22.229 1.00 0.00 C ATOM 0 H ILE A 104 16.610 22.659 -20.666 1.00 0.00 H new ATOM 0 HA ILE A 104 18.644 22.519 -22.605 1.00 0.00 H new ATOM 0 HB ILE A 104 17.345 24.891 -21.201 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.352 24.942 -23.688 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.692 23.224 -23.604 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.178 26.237 -23.087 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.512 25.533 -22.142 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.057 24.819 -23.707 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.388 23.697 -22.927 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.318 23.040 -21.559 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.973 24.784 -21.645 1.00 0.00 H new ATOM 1604 N HIS A 105 19.496 23.677 -19.634 1.00 0.00 N ATOM 1605 CA HIS A 105 20.631 23.998 -18.776 1.00 0.00 C ATOM 1606 C HIS A 105 21.721 22.938 -18.898 1.00 0.00 C ATOM 1607 O HIS A 105 22.910 23.239 -18.784 1.00 0.00 O ATOM 1608 CB HIS A 105 20.179 24.117 -17.321 1.00 0.00 C ATOM 1609 CG HIS A 105 21.281 24.504 -16.382 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.652 25.812 -16.155 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.091 23.744 -15.608 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.645 25.841 -15.284 1.00 0.00 C ATOM 1613 NE2 HIS A 105 22.930 24.599 -14.936 1.00 0.00 N ATOM 0 H HIS A 105 18.592 23.691 -19.161 1.00 0.00 H new ATOM 0 HA HIS A 105 21.041 24.954 -19.100 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.381 24.857 -17.256 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.757 23.164 -17.001 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.226 26.630 -16.591 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.080 22.667 -15.533 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.139 26.729 -14.919 1.00 0.00 H new ATOM 1622 N LEU A 106 21.309 21.697 -19.130 1.00 0.00 N ATOM 1623 CA LEU A 106 22.251 20.591 -19.266 1.00 0.00 C ATOM 1624 C LEU A 106 22.856 20.560 -20.666 1.00 0.00 C ATOM 1625 O LEU A 106 23.989 20.117 -20.854 1.00 0.00 O ATOM 1626 CB LEU A 106 21.554 19.262 -18.971 1.00 0.00 C ATOM 1627 CG LEU A 106 21.480 18.855 -17.498 1.00 0.00 C ATOM 1628 CD1 LEU A 106 21.048 17.403 -17.367 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.822 19.079 -16.816 1.00 0.00 C ATOM 0 H LEU A 106 20.329 21.431 -19.228 1.00 0.00 H new ATOM 0 HA LEU A 106 23.055 20.741 -18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.539 19.312 -19.365 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.070 18.474 -19.519 1.00 0.00 H new ATOM 0 HG LEU A 106 20.735 19.479 -17.004 1.00 0.00 H new ATOM 0 HD11 LEU A 106 21.001 17.131 -16.313 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.065 17.274 -17.819 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.768 16.762 -17.875 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.752 18.784 -15.769 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.586 18.480 -17.311 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.091 20.134 -16.879 1.00 0.00 H new