USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 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 Single : A 43 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.98) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 0.862 (180deg=-0.0998) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0633 F(o=-0.96,f=-0.063) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.1) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.912 (180deg=0.817) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -0.262 F(o=-0.98,f=-0.26) USER MOD Single : A 82 THR OG1 : rot -60:sc= 1.21 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0.815 K(o=0.82,f=-0.7) USER MOD Single : A 100 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.5!) USER MOD Single : A 106 ASN : amide:sc= 0.527 K(o=0.53,f=-8.1!) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0.459 (180deg=0.421) USER MOD Single : A 113 SER OG : rot -34:sc= 0.164 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.544 -2.258 -3.174 1.00 0.00 N ATOM 676 CA ASN A 43 15.327 -2.085 -1.951 1.00 0.00 C ATOM 677 C ASN A 43 16.694 -2.692 -2.090 1.00 0.00 C ATOM 678 O ASN A 43 16.851 -3.720 -2.751 1.00 0.00 O ATOM 679 CB ASN A 43 14.597 -2.727 -0.751 1.00 0.00 C ATOM 680 CG ASN A 43 13.426 -1.907 -0.171 1.00 0.00 C ATOM 681 OD1 ASN A 43 13.119 -2.009 1.004 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.792 -1.078 -0.962 1.00 0.00 N ATOM 0 HA ASN A 43 15.439 -1.015 -1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.218 -3.702 -1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.323 -2.902 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.030 -0.507 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.060 -1.004 -1.943 1.00 0.00 H new ATOM 689 N LEU A 44 17.690 -2.064 -1.484 1.00 0.00 N ATOM 690 CA LEU A 44 19.040 -2.588 -1.504 1.00 0.00 C ATOM 691 C LEU A 44 19.888 -2.035 -0.359 1.00 0.00 C ATOM 692 O LEU A 44 19.474 -1.096 0.345 1.00 0.00 O ATOM 693 CB LEU A 44 19.694 -2.402 -2.897 1.00 0.00 C ATOM 694 CG LEU A 44 19.758 -0.993 -3.482 1.00 0.00 C ATOM 695 CD1 LEU A 44 20.939 -0.205 -2.942 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.790 -1.064 -4.992 1.00 0.00 C ATOM 0 H LEU A 44 17.584 -1.188 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 44 18.983 -3.663 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 44 20.713 -2.786 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 44 19.155 -3.032 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 44 18.860 -0.458 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 44 20.945 0.791 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 44 20.855 -0.120 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 21.866 -0.720 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.836 -0.055 -5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.668 -1.626 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.890 -1.562 -5.352 1.00 0.00 H new ATOM 708 N ILE A 45 21.028 -2.648 -0.149 1.00 0.00 N ATOM 709 CA ILE A 45 21.973 -2.254 0.881 1.00 0.00 C ATOM 710 C ILE A 45 23.310 -1.865 0.270 1.00 0.00 C ATOM 711 O ILE A 45 23.802 -2.537 -0.640 1.00 0.00 O ATOM 712 CB ILE A 45 22.138 -3.357 2.007 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.496 -3.288 2.661 1.00 0.00 C ATOM 714 CG2 ILE A 45 22.016 -4.703 1.442 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.602 -3.993 3.980 1.00 0.00 C ATOM 0 H ILE A 45 21.336 -3.451 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 45 21.562 -1.374 1.376 1.00 0.00 H new ATOM 0 HB ILE A 45 21.353 -3.162 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.233 -3.713 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.761 -2.240 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.133 -5.442 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 45 21.035 -4.817 0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.790 -4.853 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.615 -3.886 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.895 -3.555 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.374 -5.051 3.847 1.00 0.00 H new ATOM 727 N VAL A 46 23.881 -0.783 0.773 1.00 0.00 N ATOM 728 CA VAL A 46 25.128 -0.263 0.265 1.00 0.00 C ATOM 729 C VAL A 46 26.247 -0.494 1.274 1.00 0.00 C ATOM 730 O VAL A 46 26.148 -0.098 2.446 1.00 0.00 O ATOM 731 CB VAL A 46 25.035 1.251 -0.071 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.353 1.778 -0.596 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.942 1.512 -1.075 1.00 0.00 C ATOM 0 H VAL A 46 23.489 -0.244 1.545 1.00 0.00 H new ATOM 0 HA VAL A 46 25.348 -0.799 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 46 24.797 1.777 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.256 2.840 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.128 1.637 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.626 1.237 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.896 2.579 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.152 0.962 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.986 1.185 -0.666 1.00 0.00 H new ATOM 743 N LYS A 47 27.288 -1.129 0.814 1.00 0.00 N ATOM 744 CA LYS A 47 28.457 -1.445 1.610 1.00 0.00 C ATOM 745 C LYS A 47 29.685 -1.186 0.782 1.00 0.00 C ATOM 746 O LYS A 47 29.851 -1.752 -0.297 1.00 0.00 O ATOM 747 CB LYS A 47 28.449 -2.913 2.084 1.00 0.00 C ATOM 748 CG LYS A 47 27.318 -3.273 3.043 1.00 0.00 C ATOM 749 CD LYS A 47 27.371 -2.465 4.342 1.00 0.00 C ATOM 750 CE LYS A 47 28.615 -2.757 5.177 1.00 0.00 C ATOM 751 NZ LYS A 47 28.638 -4.129 5.687 1.00 0.00 N ATOM 0 H LYS A 47 27.356 -1.453 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 47 28.452 -0.815 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.385 -3.561 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.400 -3.127 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 47 26.361 -3.101 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 27.370 -4.336 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.342 -1.402 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 47 26.483 -2.683 4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.504 -2.583 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.658 -2.061 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.362 -4.211 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.707 -4.368 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 28.862 -4.784 4.911 1.00 0.00 H new ATOM 764 N ALA A 48 30.537 -0.348 1.264 1.00 0.00 N ATOM 765 CA ALA A 48 31.711 0.004 0.533 1.00 0.00 C ATOM 766 C ALA A 48 32.888 0.056 1.460 1.00 0.00 C ATOM 767 O ALA A 48 32.722 0.019 2.691 1.00 0.00 O ATOM 768 CB ALA A 48 31.513 1.328 -0.190 1.00 0.00 C ATOM 0 H ALA A 48 30.443 0.112 2.170 1.00 0.00 H new ATOM 0 HA ALA A 48 31.905 -0.756 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.418 1.580 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.677 1.242 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.301 2.112 0.537 1.00 0.00 H new ATOM 774 N ASP A 49 34.063 0.148 0.880 1.00 0.00 N ATOM 775 CA ASP A 49 35.306 0.153 1.638 1.00 0.00 C ATOM 776 C ASP A 49 35.555 1.545 2.170 1.00 0.00 C ATOM 777 O ASP A 49 36.127 1.736 3.241 1.00 0.00 O ATOM 778 CB ASP A 49 36.466 -0.300 0.750 1.00 0.00 C ATOM 779 CG ASP A 49 37.779 -0.395 1.491 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.041 -1.446 2.107 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.586 0.569 1.445 1.00 0.00 O ATOM 0 H ASP A 49 34.190 0.222 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 49 35.228 -0.541 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.228 -1.273 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.574 0.398 -0.080 1.00 0.00 H new ATOM 786 N VAL A 50 35.118 2.514 1.411 1.00 0.00 N ATOM 787 CA VAL A 50 35.167 3.874 1.814 1.00 0.00 C ATOM 788 C VAL A 50 33.792 4.205 2.345 1.00 0.00 C ATOM 789 O VAL A 50 32.788 3.938 1.671 1.00 0.00 O ATOM 790 CB VAL A 50 35.496 4.801 0.621 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.505 6.248 1.047 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.823 4.426 -0.009 1.00 0.00 C ATOM 0 H VAL A 50 34.715 2.368 0.486 1.00 0.00 H new ATOM 0 HA VAL A 50 35.945 4.022 2.563 1.00 0.00 H new ATOM 0 HB VAL A 50 34.713 4.669 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.739 6.878 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.524 6.518 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.258 6.395 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.030 5.093 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.616 4.517 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.778 3.398 -0.368 1.00 0.00 H new ATOM 802 N GLN A 51 33.723 4.762 3.530 1.00 0.00 N ATOM 803 CA GLN A 51 32.445 5.033 4.152 1.00 0.00 C ATOM 804 C GLN A 51 31.637 6.009 3.339 1.00 0.00 C ATOM 805 O GLN A 51 30.490 5.796 3.098 1.00 0.00 O ATOM 806 CB GLN A 51 32.574 5.550 5.565 1.00 0.00 C ATOM 807 CG GLN A 51 31.234 5.556 6.282 1.00 0.00 C ATOM 808 CD GLN A 51 31.271 6.287 7.573 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.564 5.719 8.627 1.00 0.00 O ATOM 810 NE2 GLN A 51 30.945 7.533 7.512 1.00 0.00 N ATOM 0 H GLN A 51 34.534 5.037 4.084 1.00 0.00 H new ATOM 0 HA GLN A 51 31.929 4.074 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.280 4.930 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 51 32.983 6.560 5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.484 6.010 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 51 30.920 4.528 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.711 7.956 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 51 30.921 8.096 8.362 1.00 0.00 H new ATOM 819 N GLY A 52 32.243 7.042 2.856 1.00 0.00 N ATOM 820 CA GLY A 52 31.477 7.988 2.090 1.00 0.00 C ATOM 821 C GLY A 52 31.143 7.500 0.703 1.00 0.00 C ATOM 822 O GLY A 52 30.426 8.165 -0.026 1.00 0.00 O ATOM 0 H GLY A 52 33.234 7.256 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.552 8.212 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.035 8.921 2.015 1.00 0.00 H new ATOM 826 N SER A 53 31.583 6.303 0.371 1.00 0.00 N ATOM 827 CA SER A 53 31.286 5.749 -0.904 1.00 0.00 C ATOM 828 C SER A 53 29.914 5.124 -0.771 1.00 0.00 C ATOM 829 O SER A 53 29.159 5.001 -1.749 1.00 0.00 O ATOM 830 CB SER A 53 32.367 4.739 -1.335 1.00 0.00 C ATOM 831 OG SER A 53 32.144 4.219 -2.637 1.00 0.00 O ATOM 0 H SER A 53 32.147 5.707 0.977 1.00 0.00 H new ATOM 0 HA SER A 53 31.282 6.505 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.343 5.223 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.396 3.917 -0.620 1.00 0.00 H new ATOM 0 HG SER A 53 32.857 3.586 -2.863 1.00 0.00 H new ATOM 837 N VAL A 54 29.562 4.796 0.483 1.00 0.00 N ATOM 838 CA VAL A 54 28.251 4.343 0.767 1.00 0.00 C ATOM 839 C VAL A 54 27.332 5.554 0.722 1.00 0.00 C ATOM 840 O VAL A 54 26.336 5.545 0.040 1.00 0.00 O ATOM 841 CB VAL A 54 28.118 3.581 2.135 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.131 2.480 2.288 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.006 4.447 3.400 1.00 0.00 C ATOM 0 H VAL A 54 30.184 4.846 1.290 1.00 0.00 H new ATOM 0 HA VAL A 54 27.973 3.603 0.016 1.00 0.00 H new ATOM 0 HB VAL A 54 27.131 3.126 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 28.992 1.989 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.001 1.752 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.135 2.900 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 54 27.920 3.803 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 54 28.895 5.070 3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.123 5.083 3.329 1.00 0.00 H new ATOM 853 N GLU A 55 27.777 6.627 1.378 1.00 0.00 N ATOM 854 CA GLU A 55 27.051 7.902 1.471 1.00 0.00 C ATOM 855 C GLU A 55 26.724 8.478 0.105 1.00 0.00 C ATOM 856 O GLU A 55 25.590 8.909 -0.139 1.00 0.00 O ATOM 857 CB GLU A 55 27.854 8.922 2.270 1.00 0.00 C ATOM 858 CG GLU A 55 28.002 8.598 3.746 1.00 0.00 C ATOM 859 CD GLU A 55 26.680 8.611 4.481 1.00 0.00 C ATOM 860 OE1 GLU A 55 25.802 9.445 4.152 1.00 0.00 O ATOM 861 OE2 GLU A 55 26.480 7.786 5.395 1.00 0.00 O ATOM 0 H GLU A 55 28.670 6.638 1.871 1.00 0.00 H new ATOM 0 HA GLU A 55 26.112 7.691 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.847 9.008 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.377 9.897 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 55 28.464 7.616 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.676 9.320 4.207 1.00 0.00 H new ATOM 868 N ALA A 56 27.713 8.485 -0.779 1.00 0.00 N ATOM 869 CA ALA A 56 27.547 8.990 -2.133 1.00 0.00 C ATOM 870 C ALA A 56 26.422 8.257 -2.849 1.00 0.00 C ATOM 871 O ALA A 56 25.570 8.878 -3.488 1.00 0.00 O ATOM 872 CB ALA A 56 28.845 8.855 -2.905 1.00 0.00 C ATOM 0 H ALA A 56 28.652 8.141 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 56 27.281 10.046 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.708 9.236 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.627 9.426 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.135 7.805 -2.949 1.00 0.00 H new ATOM 878 N LEU A 57 26.396 6.946 -2.692 1.00 0.00 N ATOM 879 CA LEU A 57 25.386 6.140 -3.319 1.00 0.00 C ATOM 880 C LEU A 57 24.044 6.315 -2.596 1.00 0.00 C ATOM 881 O LEU A 57 23.027 6.557 -3.226 1.00 0.00 O ATOM 882 CB LEU A 57 25.837 4.666 -3.374 1.00 0.00 C ATOM 883 CG LEU A 57 24.903 3.681 -4.096 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.561 4.188 -5.494 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.574 2.321 -4.212 1.00 0.00 C ATOM 0 H LEU A 57 27.069 6.423 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 57 25.243 6.471 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.812 4.627 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 57 25.976 4.315 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 57 23.985 3.593 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.899 3.476 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.063 5.155 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.476 4.296 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.906 1.628 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.500 2.419 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.797 1.939 -3.216 1.00 0.00 H new ATOM 897 N VAL A 58 24.083 6.272 -1.273 1.00 0.00 N ATOM 898 CA VAL A 58 22.902 6.432 -0.405 1.00 0.00 C ATOM 899 C VAL A 58 22.138 7.705 -0.696 1.00 0.00 C ATOM 900 O VAL A 58 20.920 7.683 -0.798 1.00 0.00 O ATOM 901 CB VAL A 58 23.300 6.392 1.098 1.00 0.00 C ATOM 902 CG1 VAL A 58 22.166 6.841 2.021 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.704 5.000 1.453 1.00 0.00 C ATOM 0 H VAL A 58 24.947 6.123 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 58 22.245 5.590 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 58 24.126 7.089 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.500 6.793 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.883 7.865 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.306 6.185 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.985 4.960 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.869 4.322 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.553 4.700 0.839 1.00 0.00 H new ATOM 913 N ALA A 59 22.847 8.788 -0.872 1.00 0.00 N ATOM 914 CA ALA A 59 22.218 10.075 -1.121 1.00 0.00 C ATOM 915 C ALA A 59 21.434 10.092 -2.425 1.00 0.00 C ATOM 916 O ALA A 59 20.423 10.785 -2.538 1.00 0.00 O ATOM 917 CB ALA A 59 23.230 11.202 -1.061 1.00 0.00 C ATOM 0 H ALA A 59 23.866 8.813 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 59 21.495 10.236 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.729 12.151 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.690 11.226 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.000 11.040 -1.816 1.00 0.00 H new ATOM 923 N ALA A 60 21.841 9.290 -3.371 1.00 0.00 N ATOM 924 CA ALA A 60 21.172 9.257 -4.654 1.00 0.00 C ATOM 925 C ALA A 60 20.111 8.204 -4.612 1.00 0.00 C ATOM 926 O ALA A 60 19.086 8.301 -5.255 1.00 0.00 O ATOM 927 CB ALA A 60 22.161 8.965 -5.763 1.00 0.00 C ATOM 0 H ALA A 60 22.630 8.650 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 60 20.721 10.228 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.639 8.944 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.925 9.742 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.632 7.998 -5.585 1.00 0.00 H new ATOM 933 N LEU A 61 20.352 7.252 -3.780 1.00 0.00 N ATOM 934 CA LEU A 61 19.524 6.107 -3.630 1.00 0.00 C ATOM 935 C LEU A 61 18.270 6.460 -2.849 1.00 0.00 C ATOM 936 O LEU A 61 17.190 6.014 -3.164 1.00 0.00 O ATOM 937 CB LEU A 61 20.332 5.042 -2.908 1.00 0.00 C ATOM 938 CG LEU A 61 20.370 3.662 -3.535 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.991 3.056 -3.589 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.975 3.746 -4.922 1.00 0.00 C ATOM 0 H LEU A 61 21.163 7.250 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 61 19.206 5.735 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.357 5.400 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.936 4.944 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 61 20.992 3.014 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.046 2.067 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.592 2.970 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.337 3.693 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.000 2.752 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.371 4.408 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.989 4.139 -4.853 1.00 0.00 H new ATOM 952 N GLN A 62 18.431 7.293 -1.846 1.00 0.00 N ATOM 953 CA GLN A 62 17.321 7.715 -1.013 1.00 0.00 C ATOM 954 C GLN A 62 16.376 8.629 -1.790 1.00 0.00 C ATOM 955 O GLN A 62 15.205 8.758 -1.445 1.00 0.00 O ATOM 956 CB GLN A 62 17.831 8.421 0.258 1.00 0.00 C ATOM 957 CG GLN A 62 18.581 9.724 -0.007 1.00 0.00 C ATOM 958 CD GLN A 62 19.176 10.361 1.239 1.00 0.00 C ATOM 959 OE1 GLN A 62 19.597 9.558 2.185 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 19.290 11.587 1.326 1.00 0.00 N flip ATOM 0 H GLN A 62 19.330 7.697 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 62 16.767 6.826 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.982 8.630 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.488 7.740 0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.381 9.531 -0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.900 10.434 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.952 12.185 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.722 12.002 2.152 1.00 0.00 H new ATOM 969 N LYS A 63 16.876 9.244 -2.851 1.00 0.00 N ATOM 970 CA LYS A 63 16.056 10.153 -3.616 1.00 0.00 C ATOM 971 C LYS A 63 15.360 9.480 -4.806 1.00 0.00 C ATOM 972 O LYS A 63 14.639 10.140 -5.549 1.00 0.00 O ATOM 973 CB LYS A 63 16.814 11.433 -4.043 1.00 0.00 C ATOM 974 CG LYS A 63 18.068 11.217 -4.877 1.00 0.00 C ATOM 975 CD LYS A 63 18.603 12.535 -5.459 1.00 0.00 C ATOM 976 CE LYS A 63 18.953 13.582 -4.392 1.00 0.00 C ATOM 977 NZ LYS A 63 20.168 13.234 -3.622 1.00 0.00 N ATOM 0 H LYS A 63 17.830 9.129 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 63 15.266 10.468 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.130 12.065 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.089 11.985 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.838 10.753 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.849 10.524 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.491 12.325 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.857 12.953 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.098 14.549 -4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.113 13.690 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.290 13.910 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.071 12.273 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.998 13.274 -4.247 1.00 0.00 H new ATOM 1098 N VAL A 71 13.213 3.267 -5.537 1.00 0.00 N ATOM 1099 CA VAL A 71 14.340 2.564 -5.022 1.00 0.00 C ATOM 1100 C VAL A 71 14.796 3.289 -3.769 1.00 0.00 C ATOM 1101 O VAL A 71 14.793 4.519 -3.738 1.00 0.00 O ATOM 1102 CB VAL A 71 15.509 2.533 -6.045 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.608 1.598 -5.593 1.00 0.00 C ATOM 1104 CG2 VAL A 71 15.034 2.180 -7.448 1.00 0.00 C ATOM 0 HA VAL A 71 14.056 1.533 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 71 15.919 3.542 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.412 1.598 -6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.997 1.932 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.209 0.589 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.885 2.170 -8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.567 1.195 -7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.309 2.921 -7.784 1.00 0.00 H new ATOM 1114 N LYS A 72 15.132 2.548 -2.744 1.00 0.00 N ATOM 1115 CA LYS A 72 15.599 3.127 -1.513 1.00 0.00 C ATOM 1116 C LYS A 72 16.547 2.166 -0.802 1.00 0.00 C ATOM 1117 O LYS A 72 16.484 0.938 -0.987 1.00 0.00 O ATOM 1118 CB LYS A 72 14.406 3.508 -0.596 1.00 0.00 C ATOM 1119 CG LYS A 72 14.812 4.107 0.757 1.00 0.00 C ATOM 1120 CD LYS A 72 13.614 4.471 1.605 1.00 0.00 C ATOM 1121 CE LYS A 72 14.037 4.929 2.998 1.00 0.00 C ATOM 1122 NZ LYS A 72 14.750 3.861 3.747 1.00 0.00 N ATOM 0 H LYS A 72 15.089 1.529 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 72 16.147 4.040 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.774 4.224 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.801 2.619 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.433 3.392 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.420 4.996 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.047 5.264 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.951 3.610 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.683 5.803 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.156 5.239 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.928 4.180 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.166 3.001 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.655 3.654 3.279 1.00 0.00 H new ATOM 1135 N ILE A 73 17.429 2.731 -0.019 1.00 0.00 N ATOM 1136 CA ILE A 73 18.356 1.990 0.784 1.00 0.00 C ATOM 1137 C ILE A 73 17.811 1.783 2.181 1.00 0.00 C ATOM 1138 O ILE A 73 16.934 2.534 2.638 1.00 0.00 O ATOM 1139 CB ILE A 73 19.752 2.673 0.861 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.683 4.224 0.913 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.630 2.212 -0.256 1.00 0.00 C ATOM 1142 CD1 ILE A 73 19.051 4.806 2.161 1.00 0.00 C ATOM 0 H ILE A 73 17.522 3.742 0.077 1.00 0.00 H new ATOM 0 HA ILE A 73 18.486 1.023 0.298 1.00 0.00 H new ATOM 0 HB ILE A 73 20.191 2.362 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.695 4.619 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 73 19.124 4.575 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.601 2.702 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.763 1.132 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 73 20.168 2.465 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.053 5.894 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.025 4.449 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.620 4.494 3.037 1.00 0.00 H new ATOM 1154 N ILE A 74 18.280 0.765 2.837 1.00 0.00 N ATOM 1155 CA ILE A 74 17.870 0.507 4.202 1.00 0.00 C ATOM 1156 C ILE A 74 19.066 0.640 5.122 1.00 0.00 C ATOM 1157 O ILE A 74 18.999 1.280 6.180 1.00 0.00 O ATOM 1158 CB ILE A 74 17.234 -0.927 4.422 1.00 0.00 C ATOM 1159 CG1 ILE A 74 16.032 -1.201 3.495 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.796 -1.106 5.875 1.00 0.00 C ATOM 1161 CD1 ILE A 74 16.383 -1.500 2.060 1.00 0.00 C ATOM 0 H ILE A 74 18.948 0.094 2.457 1.00 0.00 H new ATOM 0 HA ILE A 74 17.098 1.243 4.428 1.00 0.00 H new ATOM 0 HB ILE A 74 18.016 -1.645 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.468 -2.043 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.371 -0.334 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.362 -2.097 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.660 -0.999 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.053 -0.349 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.470 -1.678 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.918 -0.652 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.016 -2.387 2.017 1.00 0.00 H new ATOM 1173 N HIS A 75 20.175 0.119 4.671 1.00 0.00 N ATOM 1174 CA HIS A 75 21.333 -0.036 5.505 1.00 0.00 C ATOM 1175 C HIS A 75 22.600 0.225 4.691 1.00 0.00 C ATOM 1176 O HIS A 75 22.808 -0.373 3.645 1.00 0.00 O ATOM 1177 CB HIS A 75 21.273 -1.460 6.112 1.00 0.00 C ATOM 1178 CG HIS A 75 22.409 -1.907 7.007 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.918 -3.145 7.204 1.00 0.00 N flip ATOM 1180 CD2 HIS A 75 23.150 -1.066 7.811 1.00 0.00 C flip ATOM 1181 CE1 HIS A 75 23.947 -3.027 8.093 1.00 0.00 C flip ATOM 1182 NE2 HIS A 75 24.069 -1.770 8.447 1.00 0.00 N flip ATOM 0 H HIS A 75 20.300 -0.210 3.714 1.00 0.00 H new ATOM 0 HA HIS A 75 21.352 0.687 6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.348 -1.539 6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.200 -2.170 5.288 1.00 0.00 H new ATOM 0 HD1 HIS A 75 22.593 -4.008 6.768 1.00 0.00 H new ATOM 0 HD2 HIS A 75 23.002 -0.000 7.906 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.563 -3.840 8.449 1.00 0.00 H new ATOM 1190 N ALA A 76 23.375 1.170 5.152 1.00 0.00 N ATOM 1191 CA ALA A 76 24.635 1.563 4.551 1.00 0.00 C ATOM 1192 C ALA A 76 25.681 1.635 5.636 1.00 0.00 C ATOM 1193 O ALA A 76 25.402 2.167 6.714 1.00 0.00 O ATOM 1194 CB ALA A 76 24.482 2.925 3.939 1.00 0.00 C ATOM 0 H ALA A 76 23.144 1.710 5.986 1.00 0.00 H new ATOM 0 HA ALA A 76 24.927 0.843 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.425 3.228 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.705 2.896 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.205 3.642 4.712 1.00 0.00 H new ATOM 1200 N ALA A 77 26.856 1.104 5.383 1.00 0.00 N ATOM 1201 CA ALA A 77 27.914 1.101 6.380 1.00 0.00 C ATOM 1202 C ALA A 77 29.259 0.853 5.721 1.00 0.00 C ATOM 1203 O ALA A 77 29.320 0.355 4.591 1.00 0.00 O ATOM 1204 CB ALA A 77 27.629 0.032 7.441 1.00 0.00 C ATOM 0 H ALA A 77 27.108 0.667 4.496 1.00 0.00 H new ATOM 0 HA ALA A 77 27.946 2.076 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.426 0.036 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.678 0.247 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.580 -0.948 6.966 1.00 0.00 H new ATOM 1210 N VAL A 78 30.322 1.160 6.425 1.00 0.00 N ATOM 1211 CA VAL A 78 31.658 0.960 5.917 1.00 0.00 C ATOM 1212 C VAL A 78 32.177 -0.394 6.365 1.00 0.00 C ATOM 1213 O VAL A 78 32.585 -0.599 7.509 1.00 0.00 O ATOM 1214 CB VAL A 78 32.649 2.120 6.300 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.687 2.395 7.803 1.00 0.00 C ATOM 1216 CG2 VAL A 78 34.053 1.840 5.774 1.00 0.00 C ATOM 0 H VAL A 78 30.286 1.555 7.365 1.00 0.00 H new ATOM 0 HA VAL A 78 31.601 0.980 4.829 1.00 0.00 H new ATOM 0 HB VAL A 78 32.266 3.020 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.388 3.205 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.693 2.681 8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 78 33.008 1.496 8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.716 2.658 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.424 0.909 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 78 34.024 1.752 4.688 1.00 0.00 H new ATOM 1226 N GLY A 79 32.042 -1.321 5.498 1.00 0.00 N ATOM 1227 CA GLY A 79 32.467 -2.639 5.741 1.00 0.00 C ATOM 1228 C GLY A 79 32.238 -3.432 4.521 1.00 0.00 C ATOM 1229 O GLY A 79 31.636 -2.924 3.564 1.00 0.00 O ATOM 0 H GLY A 79 31.623 -1.180 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.523 -2.654 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.918 -3.066 6.580 1.00 0.00 H new ATOM 1233 N ALA A 80 32.658 -4.643 4.526 1.00 0.00 N ATOM 1234 CA ALA A 80 32.432 -5.495 3.412 1.00 0.00 C ATOM 1235 C ALA A 80 31.111 -6.221 3.591 1.00 0.00 C ATOM 1236 O ALA A 80 30.257 -5.785 4.366 1.00 0.00 O ATOM 1237 CB ALA A 80 33.585 -6.451 3.247 1.00 0.00 C ATOM 0 H ALA A 80 33.167 -5.073 5.298 1.00 0.00 H new ATOM 0 HA ALA A 80 32.370 -4.904 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.401 -7.099 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.504 -5.888 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.685 -7.059 4.146 1.00 0.00 H new ATOM 1243 N ILE A 81 30.927 -7.292 2.893 1.00 0.00 N ATOM 1244 CA ILE A 81 29.695 -7.994 2.943 1.00 0.00 C ATOM 1245 C ILE A 81 29.762 -9.006 4.054 1.00 0.00 C ATOM 1246 O ILE A 81 30.485 -10.007 3.965 1.00 0.00 O ATOM 1247 CB ILE A 81 29.438 -8.662 1.589 1.00 0.00 C ATOM 1248 CG1 ILE A 81 29.407 -7.581 0.513 1.00 0.00 C ATOM 1249 CG2 ILE A 81 28.131 -9.456 1.610 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.735 -8.085 -0.854 1.00 0.00 C ATOM 0 H ILE A 81 31.627 -7.702 2.274 1.00 0.00 H new ATOM 0 HA ILE A 81 28.868 -7.313 3.144 1.00 0.00 H new ATOM 0 HB ILE A 81 30.238 -9.370 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.416 -7.127 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 81 30.113 -6.795 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.972 -9.920 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.187 -10.229 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.301 -8.785 1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.693 -7.260 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.737 -8.513 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.014 -8.850 -1.142 1.00 0.00 H new ATOM 1262 N THR A 82 29.092 -8.724 5.113 1.00 0.00 N ATOM 1263 CA THR A 82 29.095 -9.616 6.206 1.00 0.00 C ATOM 1264 C THR A 82 27.840 -10.433 6.166 1.00 0.00 C ATOM 1265 O THR A 82 26.845 -10.034 5.534 1.00 0.00 O ATOM 1266 CB THR A 82 29.222 -8.888 7.580 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.142 -7.964 7.780 1.00 0.00 O ATOM 1268 CG2 THR A 82 30.541 -8.147 7.684 1.00 0.00 C ATOM 0 H THR A 82 28.535 -7.880 5.242 1.00 0.00 H new ATOM 0 HA THR A 82 29.972 -10.256 6.114 1.00 0.00 H new ATOM 0 HB THR A 82 29.181 -9.654 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 82 28.152 -7.290 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 82 30.603 -7.649 8.651 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.364 -8.855 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 82 30.605 -7.404 6.889 1.00 0.00 H new ATOM 1276 N GLU A 83 27.890 -11.579 6.783 1.00 0.00 N ATOM 1277 CA GLU A 83 26.751 -12.455 6.930 1.00 0.00 C ATOM 1278 C GLU A 83 25.559 -11.675 7.550 1.00 0.00 C ATOM 1279 O GLU A 83 24.394 -11.926 7.225 1.00 0.00 O ATOM 1280 CB GLU A 83 27.155 -13.588 7.846 1.00 0.00 C ATOM 1281 CG GLU A 83 26.212 -14.750 7.879 1.00 0.00 C ATOM 1282 CD GLU A 83 26.508 -15.653 9.027 1.00 0.00 C ATOM 1283 OE1 GLU A 83 27.471 -16.442 8.964 1.00 0.00 O ATOM 1284 OE2 GLU A 83 25.783 -15.570 10.037 1.00 0.00 O ATOM 0 H GLU A 83 28.742 -11.943 7.210 1.00 0.00 H new ATOM 0 HA GLU A 83 26.441 -12.841 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 83 28.138 -13.947 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.259 -13.196 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.187 -14.387 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.286 -15.308 6.946 1.00 0.00 H new ATOM 1291 N SER A 84 25.887 -10.713 8.411 1.00 0.00 N ATOM 1292 CA SER A 84 24.923 -9.865 9.088 1.00 0.00 C ATOM 1293 C SER A 84 24.201 -8.927 8.101 1.00 0.00 C ATOM 1294 O SER A 84 23.039 -8.586 8.300 1.00 0.00 O ATOM 1295 CB SER A 84 25.664 -9.038 10.125 1.00 0.00 C ATOM 1296 OG SER A 84 26.521 -9.871 10.905 1.00 0.00 O ATOM 0 H SER A 84 26.854 -10.501 8.659 1.00 0.00 H new ATOM 0 HA SER A 84 24.167 -10.494 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.250 -8.264 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 84 24.950 -8.531 10.774 1.00 0.00 H new ATOM 0 HG SER A 84 26.993 -9.325 11.568 1.00 0.00 H new ATOM 1302 N ASP A 85 24.888 -8.535 7.031 1.00 0.00 N ATOM 1303 CA ASP A 85 24.301 -7.627 6.027 1.00 0.00 C ATOM 1304 C ASP A 85 23.271 -8.371 5.239 1.00 0.00 C ATOM 1305 O ASP A 85 22.236 -7.830 4.848 1.00 0.00 O ATOM 1306 CB ASP A 85 25.357 -7.083 5.049 1.00 0.00 C ATOM 1307 CG ASP A 85 26.404 -6.221 5.680 1.00 0.00 C ATOM 1308 OD1 ASP A 85 26.107 -5.121 6.190 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.568 -6.617 5.680 1.00 0.00 O ATOM 0 H ASP A 85 25.845 -8.825 6.830 1.00 0.00 H new ATOM 0 HA ASP A 85 23.863 -6.785 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.845 -7.924 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.852 -6.509 4.272 1.00 0.00 H new ATOM 1314 N ILE A 86 23.556 -9.626 5.030 1.00 0.00 N ATOM 1315 CA ILE A 86 22.712 -10.504 4.272 1.00 0.00 C ATOM 1316 C ILE A 86 21.407 -10.799 4.999 1.00 0.00 C ATOM 1317 O ILE A 86 20.353 -10.951 4.366 1.00 0.00 O ATOM 1318 CB ILE A 86 23.484 -11.769 3.949 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.703 -11.366 3.133 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.627 -12.768 3.202 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.556 -12.497 2.731 1.00 0.00 C ATOM 0 H ILE A 86 24.398 -10.075 5.389 1.00 0.00 H new ATOM 0 HA ILE A 86 22.429 -10.015 3.340 1.00 0.00 H new ATOM 0 HB ILE A 86 23.793 -12.264 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.371 -10.839 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.300 -10.663 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.213 -13.662 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.766 -13.037 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.284 -12.326 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.403 -12.127 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.920 -13.012 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 86 24.977 -13.191 2.122 1.00 0.00 H new ATOM 1333 N SER A 87 21.472 -10.815 6.319 1.00 0.00 N ATOM 1334 CA SER A 87 20.289 -10.968 7.153 1.00 0.00 C ATOM 1335 C SER A 87 19.227 -9.902 6.791 1.00 0.00 C ATOM 1336 O SER A 87 18.023 -10.174 6.799 1.00 0.00 O ATOM 1337 CB SER A 87 20.691 -10.811 8.610 1.00 0.00 C ATOM 1338 OG SER A 87 21.784 -11.663 8.924 1.00 0.00 O ATOM 0 H SER A 87 22.342 -10.723 6.843 1.00 0.00 H new ATOM 0 HA SER A 87 19.859 -11.955 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.963 -9.774 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.843 -11.046 9.254 1.00 0.00 H new ATOM 0 HG SER A 87 22.030 -11.547 9.866 1.00 0.00 H new ATOM 1344 N LEU A 88 19.700 -8.710 6.435 1.00 0.00 N ATOM 1345 CA LEU A 88 18.845 -7.612 6.053 1.00 0.00 C ATOM 1346 C LEU A 88 18.298 -7.833 4.643 1.00 0.00 C ATOM 1347 O LEU A 88 17.144 -7.490 4.344 1.00 0.00 O ATOM 1348 CB LEU A 88 19.642 -6.272 6.167 1.00 0.00 C ATOM 1349 CG LEU A 88 18.948 -4.952 5.729 1.00 0.00 C ATOM 1350 CD1 LEU A 88 18.981 -4.757 4.213 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.520 -4.949 6.207 1.00 0.00 C ATOM 0 H LEU A 88 20.695 -8.487 6.406 1.00 0.00 H new ATOM 0 HA LEU A 88 17.989 -7.556 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.947 -6.156 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.553 -6.378 5.578 1.00 0.00 H new ATOM 0 HG LEU A 88 19.499 -4.126 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.484 -3.822 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.016 -4.724 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.466 -5.587 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.035 -4.023 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.990 -5.797 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.500 -5.025 7.294 1.00 0.00 H new ATOM 1363 N ALA A 89 19.111 -8.426 3.811 1.00 0.00 N ATOM 1364 CA ALA A 89 18.787 -8.640 2.424 1.00 0.00 C ATOM 1365 C ALA A 89 17.492 -9.452 2.264 1.00 0.00 C ATOM 1366 O ALA A 89 16.525 -8.964 1.685 1.00 0.00 O ATOM 1367 CB ALA A 89 19.965 -9.277 1.708 1.00 0.00 C ATOM 0 H ALA A 89 20.029 -8.779 4.080 1.00 0.00 H new ATOM 0 HA ALA A 89 18.596 -7.674 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.711 -9.435 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 89 20.831 -8.619 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.199 -10.235 2.173 1.00 0.00 H new ATOM 1373 N THR A 90 17.434 -10.641 2.841 1.00 0.00 N ATOM 1374 CA THR A 90 16.222 -11.457 2.729 1.00 0.00 C ATOM 1375 C THR A 90 15.071 -10.855 3.579 1.00 0.00 C ATOM 1376 O THR A 90 13.890 -11.102 3.311 1.00 0.00 O ATOM 1377 CB THR A 90 16.484 -12.968 3.097 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.264 -13.743 3.044 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.134 -13.108 4.458 1.00 0.00 C ATOM 0 H THR A 90 18.190 -11.061 3.382 1.00 0.00 H new ATOM 0 HA THR A 90 15.915 -11.441 1.683 1.00 0.00 H new ATOM 0 HB THR A 90 17.174 -13.360 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.458 -14.675 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.298 -14.163 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.090 -12.584 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.482 -12.678 5.218 1.00 0.00 H new ATOM 1387 N ALA A 91 15.434 -10.009 4.549 1.00 0.00 N ATOM 1388 CA ALA A 91 14.473 -9.385 5.447 1.00 0.00 C ATOM 1389 C ALA A 91 13.644 -8.320 4.751 1.00 0.00 C ATOM 1390 O ALA A 91 12.432 -8.467 4.603 1.00 0.00 O ATOM 1391 CB ALA A 91 15.171 -8.794 6.664 1.00 0.00 C ATOM 0 H ALA A 91 16.402 -9.742 4.728 1.00 0.00 H new ATOM 0 HA ALA A 91 13.792 -10.171 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.432 -8.334 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.693 -9.584 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.889 -8.040 6.341 1.00 0.00 H new ATOM 1397 N SER A 92 14.301 -7.288 4.282 1.00 0.00 N ATOM 1398 CA SER A 92 13.639 -6.150 3.705 1.00 0.00 C ATOM 1399 C SER A 92 13.555 -6.265 2.188 1.00 0.00 C ATOM 1400 O SER A 92 13.203 -5.323 1.531 1.00 0.00 O ATOM 1401 CB SER A 92 14.348 -4.864 4.135 1.00 0.00 C ATOM 1402 OG SER A 92 14.402 -4.775 5.563 1.00 0.00 O ATOM 0 H SER A 92 15.318 -7.216 4.291 1.00 0.00 H new ATOM 0 HA SER A 92 12.614 -6.118 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.358 -4.844 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.822 -3.999 3.730 1.00 0.00 H new ATOM 0 HG SER A 92 14.860 -3.948 5.822 1.00 0.00 H new ATOM 1408 N ASN A 93 13.968 -7.423 1.669 1.00 0.00 N ATOM 1409 CA ASN A 93 13.929 -7.810 0.215 1.00 0.00 C ATOM 1410 C ASN A 93 14.939 -7.008 -0.600 1.00 0.00 C ATOM 1411 O ASN A 93 14.818 -6.810 -1.820 1.00 0.00 O ATOM 1412 CB ASN A 93 12.464 -7.869 -0.428 1.00 0.00 C ATOM 1413 CG ASN A 93 11.938 -6.649 -1.251 1.00 0.00 C ATOM 1414 OD1 ASN A 93 11.221 -6.836 -2.253 1.00 0.00 O ATOM 1415 ND2 ASN A 93 12.187 -5.450 -0.826 1.00 0.00 N ATOM 0 H ASN A 93 14.358 -8.162 2.254 1.00 0.00 H new ATOM 0 HA ASN A 93 14.246 -8.852 0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.427 -8.743 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.758 -8.046 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 93 11.794 -4.644 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.776 -5.312 -0.004 1.00 0.00 H new ATOM 1422 N ALA A 94 15.994 -6.662 0.086 1.00 0.00 N ATOM 1423 CA ALA A 94 17.076 -5.908 -0.459 1.00 0.00 C ATOM 1424 C ALA A 94 18.156 -6.863 -0.945 1.00 0.00 C ATOM 1425 O ALA A 94 18.154 -8.034 -0.595 1.00 0.00 O ATOM 1426 CB ALA A 94 17.633 -5.024 0.647 1.00 0.00 C ATOM 0 H ALA A 94 16.123 -6.907 1.068 1.00 0.00 H new ATOM 0 HA ALA A 94 16.739 -5.298 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.464 -4.435 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.851 -4.356 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.984 -5.648 1.469 1.00 0.00 H new ATOM 1432 N ILE A 95 19.038 -6.391 -1.769 1.00 0.00 N ATOM 1433 CA ILE A 95 20.181 -7.186 -2.172 1.00 0.00 C ATOM 1434 C ILE A 95 21.428 -6.436 -1.797 1.00 0.00 C ATOM 1435 O ILE A 95 21.390 -5.196 -1.666 1.00 0.00 O ATOM 1436 CB ILE A 95 20.235 -7.603 -3.694 1.00 0.00 C ATOM 1437 CG1 ILE A 95 20.355 -6.399 -4.674 1.00 0.00 C ATOM 1438 CG2 ILE A 95 19.061 -8.502 -4.068 1.00 0.00 C ATOM 1439 CD1 ILE A 95 19.132 -5.514 -4.782 1.00 0.00 C ATOM 0 H ILE A 95 18.998 -5.459 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 95 20.090 -8.135 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 95 21.158 -8.172 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.199 -5.784 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.590 -6.784 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.129 -8.770 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.088 -9.407 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 95 18.125 -7.972 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 95 19.327 -4.709 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 95 18.284 -6.105 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.903 -5.089 -3.805 1.00 0.00 H new ATOM 1451 N VAL A 96 22.512 -7.141 -1.631 1.00 0.00 N ATOM 1452 CA VAL A 96 23.731 -6.519 -1.187 1.00 0.00 C ATOM 1453 C VAL A 96 24.573 -6.153 -2.372 1.00 0.00 C ATOM 1454 O VAL A 96 24.811 -6.982 -3.243 1.00 0.00 O ATOM 1455 CB VAL A 96 24.561 -7.440 -0.235 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.762 -6.690 0.333 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.693 -7.997 0.890 1.00 0.00 C ATOM 0 H VAL A 96 22.578 -8.145 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 96 23.450 -5.628 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 96 24.928 -8.281 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.325 -7.351 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.404 -6.360 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.416 -5.823 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.298 -8.634 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.282 -7.174 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.878 -8.582 0.465 1.00 0.00 H new ATOM 1467 N ILE A 97 24.969 -4.924 -2.435 1.00 0.00 N ATOM 1468 CA ILE A 97 25.857 -4.471 -3.452 1.00 0.00 C ATOM 1469 C ILE A 97 27.043 -3.806 -2.792 1.00 0.00 C ATOM 1470 O ILE A 97 26.913 -2.819 -2.051 1.00 0.00 O ATOM 1471 CB ILE A 97 25.153 -3.550 -4.516 1.00 0.00 C ATOM 1472 CG1 ILE A 97 26.160 -3.057 -5.580 1.00 0.00 C ATOM 1473 CG2 ILE A 97 24.404 -2.381 -3.867 1.00 0.00 C ATOM 1474 CD1 ILE A 97 25.541 -2.213 -6.681 1.00 0.00 C ATOM 0 H ILE A 97 24.682 -4.201 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 97 26.204 -5.329 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 97 24.404 -4.160 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 97 26.938 -2.475 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 97 26.647 -3.922 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 97 23.935 -1.774 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 97 23.638 -2.768 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 97 25.106 -1.768 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 97 26.315 -1.909 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 97 24.784 -2.797 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 97 25.079 -1.327 -6.244 1.00 0.00 H new ATOM 1486 N GLY A 98 28.171 -4.398 -2.994 1.00 0.00 N ATOM 1487 CA GLY A 98 29.358 -3.904 -2.424 1.00 0.00 C ATOM 1488 C GLY A 98 30.326 -3.579 -3.493 1.00 0.00 C ATOM 1489 O GLY A 98 30.210 -4.093 -4.617 1.00 0.00 O ATOM 0 H GLY A 98 28.286 -5.238 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.145 -3.015 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.784 -4.645 -1.747 1.00 0.00 H new ATOM 1493 N PHE A 99 31.296 -2.787 -3.195 1.00 0.00 N ATOM 1494 CA PHE A 99 32.221 -2.422 -4.212 1.00 0.00 C ATOM 1495 C PHE A 99 33.620 -2.825 -3.813 1.00 0.00 C ATOM 1496 O PHE A 99 34.234 -2.187 -2.973 1.00 0.00 O ATOM 1497 CB PHE A 99 32.129 -0.927 -4.529 1.00 0.00 C ATOM 1498 CG PHE A 99 32.768 -0.561 -5.834 1.00 0.00 C ATOM 1499 CD1 PHE A 99 32.036 -0.626 -7.011 1.00 0.00 C ATOM 1500 CD2 PHE A 99 34.087 -0.165 -5.895 1.00 0.00 C ATOM 1501 CE1 PHE A 99 32.611 -0.299 -8.219 1.00 0.00 C ATOM 1502 CE2 PHE A 99 34.666 0.163 -7.096 1.00 0.00 C ATOM 1503 CZ PHE A 99 33.930 0.097 -8.260 1.00 0.00 C ATOM 0 H PHE A 99 31.469 -2.385 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 99 31.965 -2.958 -5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 99 31.080 -0.630 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 99 32.605 -0.362 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 99 31.002 -0.937 -6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 99 34.671 -0.112 -4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 99 32.031 -0.353 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 99 35.700 0.473 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 99 34.387 0.356 -9.204 1.00 0.00 H new ATOM 1513 N ASN A 100 34.069 -3.960 -4.367 1.00 0.00 N ATOM 1514 CA ASN A 100 35.439 -4.494 -4.166 1.00 0.00 C ATOM 1515 C ASN A 100 35.736 -4.760 -2.697 1.00 0.00 C ATOM 1516 O ASN A 100 36.875 -4.719 -2.243 1.00 0.00 O ATOM 1517 CB ASN A 100 36.508 -3.584 -4.816 1.00 0.00 C ATOM 1518 CG ASN A 100 36.453 -3.591 -6.345 1.00 0.00 C ATOM 1519 OD1 ASN A 100 35.386 -3.778 -6.964 1.00 0.00 O ATOM 1520 ND2 ASN A 100 37.585 -3.393 -6.976 1.00 0.00 N ATOM 0 H ASN A 100 33.493 -4.544 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 100 35.485 -5.456 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 100 36.374 -2.563 -4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 100 37.497 -3.908 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 100 37.607 -3.390 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 100 38.444 -3.242 -6.447 1.00 0.00 H new ATOM 1527 N VAL A 101 34.691 -5.089 -1.984 1.00 0.00 N ATOM 1528 CA VAL A 101 34.770 -5.368 -0.575 1.00 0.00 C ATOM 1529 C VAL A 101 34.846 -6.854 -0.290 1.00 0.00 C ATOM 1530 O VAL A 101 35.674 -7.284 0.499 1.00 0.00 O ATOM 1531 CB VAL A 101 33.623 -4.721 0.232 1.00 0.00 C ATOM 1532 CG1 VAL A 101 33.876 -3.251 0.429 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.267 -4.918 -0.431 1.00 0.00 C ATOM 0 H VAL A 101 33.751 -5.172 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 101 35.701 -4.910 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 101 33.600 -5.222 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 101 33.057 -2.814 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 101 34.811 -3.112 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 101 33.944 -2.760 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.494 -4.445 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.278 -4.466 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.057 -5.984 -0.520 1.00 0.00 H new ATOM 1543 N ARG A 102 33.962 -7.622 -0.943 1.00 0.00 N ATOM 1544 CA ARG A 102 33.907 -9.095 -0.849 1.00 0.00 C ATOM 1545 C ARG A 102 33.260 -9.552 0.470 1.00 0.00 C ATOM 1546 O ARG A 102 33.147 -8.774 1.398 1.00 0.00 O ATOM 1547 CB ARG A 102 35.292 -9.710 -1.144 1.00 0.00 C ATOM 1548 CG ARG A 102 35.732 -9.377 -2.557 1.00 0.00 C ATOM 1549 CD ARG A 102 37.209 -9.530 -2.776 1.00 0.00 C ATOM 1550 NE ARG A 102 37.984 -8.680 -1.854 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.766 -7.644 -2.212 1.00 0.00 C ATOM 1552 NH1 ARG A 102 38.839 -7.255 -3.480 1.00 0.00 N ATOM 1553 NH2 ARG A 102 39.451 -6.985 -1.287 1.00 0.00 N ATOM 0 H ARG A 102 33.251 -7.234 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 102 33.246 -9.483 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 102 36.024 -9.331 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 102 35.251 -10.792 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 102 35.200 -10.022 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.443 -8.351 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 102 37.492 -10.573 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.454 -9.269 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 102 37.923 -8.895 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.299 -7.743 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 102 39.435 -6.469 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.384 -7.264 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 102 40.044 -6.200 -1.555 1.00 0.00 H new ATOM 1566 N PRO A 103 32.703 -10.759 0.530 1.00 0.00 N ATOM 1567 CA PRO A 103 31.999 -11.233 1.705 1.00 0.00 C ATOM 1568 C PRO A 103 32.792 -12.151 2.602 1.00 0.00 C ATOM 1569 O PRO A 103 33.920 -12.558 2.289 1.00 0.00 O ATOM 1570 CB PRO A 103 30.850 -12.039 1.083 1.00 0.00 C ATOM 1571 CG PRO A 103 31.194 -12.179 -0.383 1.00 0.00 C ATOM 1572 CD PRO A 103 32.621 -11.753 -0.525 1.00 0.00 C ATOM 0 HA PRO A 103 31.726 -10.397 2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.755 -13.016 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.897 -11.527 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.061 -13.208 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.541 -11.558 -0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.317 -12.578 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.833 -11.333 -1.508 1.00 0.00 H new ATOM 1580 N ASP A 104 32.176 -12.483 3.732 1.00 0.00 N ATOM 1581 CA ASP A 104 32.698 -13.506 4.609 1.00 0.00 C ATOM 1582 C ASP A 104 32.515 -14.811 3.855 1.00 0.00 C ATOM 1583 O ASP A 104 31.601 -14.918 3.008 1.00 0.00 O ATOM 1584 CB ASP A 104 31.906 -13.639 5.950 1.00 0.00 C ATOM 1585 CG ASP A 104 31.709 -12.366 6.760 1.00 0.00 C ATOM 1586 OD1 ASP A 104 32.676 -11.611 6.982 1.00 0.00 O ATOM 1587 OD2 ASP A 104 30.563 -12.109 7.198 1.00 0.00 O ATOM 0 H ASP A 104 31.311 -12.051 4.057 1.00 0.00 H new ATOM 0 HA ASP A 104 33.728 -13.259 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 104 30.923 -14.054 5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 104 32.422 -14.365 6.578 1.00 0.00 H new ATOM 1592 N ALA A 105 33.319 -15.787 4.150 1.00 0.00 N ATOM 1593 CA ALA A 105 33.225 -17.089 3.505 1.00 0.00 C ATOM 1594 C ALA A 105 31.866 -17.713 3.761 1.00 0.00 C ATOM 1595 O ALA A 105 31.297 -18.375 2.884 1.00 0.00 O ATOM 1596 CB ALA A 105 34.343 -18.011 3.968 1.00 0.00 C ATOM 0 H ALA A 105 34.064 -15.717 4.843 1.00 0.00 H new ATOM 0 HA ALA A 105 33.338 -16.945 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.248 -18.976 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.307 -17.567 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.276 -18.151 5.047 1.00 0.00 H new ATOM 1602 N ASN A 106 31.342 -17.480 4.939 1.00 0.00 N ATOM 1603 CA ASN A 106 30.019 -17.943 5.275 1.00 0.00 C ATOM 1604 C ASN A 106 28.952 -17.012 4.770 1.00 0.00 C ATOM 1605 O ASN A 106 27.856 -17.435 4.520 1.00 0.00 O ATOM 1606 CB ASN A 106 29.856 -18.184 6.759 1.00 0.00 C ATOM 1607 CG ASN A 106 30.543 -19.454 7.231 1.00 0.00 C ATOM 1608 OD1 ASN A 106 30.617 -20.450 6.496 1.00 0.00 O ATOM 1609 ND2 ASN A 106 31.069 -19.435 8.428 1.00 0.00 N ATOM 0 H ASN A 106 31.815 -16.969 5.685 1.00 0.00 H new ATOM 0 HA ASN A 106 29.896 -18.901 4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 106 30.261 -17.333 7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 106 28.794 -18.241 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 106 31.559 -20.256 8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 106 30.990 -18.599 9.007 1.00 0.00 H new ATOM 1616 N ALA A 107 29.274 -15.743 4.591 1.00 0.00 N ATOM 1617 CA ALA A 107 28.311 -14.799 4.047 1.00 0.00 C ATOM 1618 C ALA A 107 27.982 -15.136 2.593 1.00 0.00 C ATOM 1619 O ALA A 107 26.827 -15.174 2.212 1.00 0.00 O ATOM 1620 CB ALA A 107 28.812 -13.381 4.175 1.00 0.00 C ATOM 0 H ALA A 107 30.186 -15.344 4.812 1.00 0.00 H new ATOM 0 HA ALA A 107 27.392 -14.881 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.073 -12.695 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 107 28.975 -13.146 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.750 -13.276 3.630 1.00 0.00 H new ATOM 1626 N LYS A 108 29.005 -15.418 1.797 1.00 0.00 N ATOM 1627 CA LYS A 108 28.821 -15.803 0.380 1.00 0.00 C ATOM 1628 C LYS A 108 27.899 -17.070 0.264 1.00 0.00 C ATOM 1629 O LYS A 108 27.282 -17.306 -0.769 1.00 0.00 O ATOM 1630 CB LYS A 108 30.203 -16.071 -0.281 1.00 0.00 C ATOM 1631 CG LYS A 108 30.765 -17.470 -0.065 1.00 0.00 C ATOM 1632 CD LYS A 108 32.079 -17.660 -0.806 1.00 0.00 C ATOM 1633 CE LYS A 108 32.598 -19.089 -0.674 1.00 0.00 C ATOM 1634 NZ LYS A 108 32.896 -19.470 0.730 1.00 0.00 N ATOM 0 H LYS A 108 29.979 -15.391 2.098 1.00 0.00 H new ATOM 0 HA LYS A 108 28.334 -14.981 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 108 30.116 -15.893 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.919 -15.346 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.918 -17.642 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 108 30.042 -18.211 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 108 31.941 -17.419 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.822 -16.965 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 108 31.858 -19.778 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 108 33.501 -19.199 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 33.114 -20.486 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 33.713 -18.925 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 32.070 -19.266 1.328 1.00 0.00 H new ATOM 1647 N ARG A 109 27.836 -17.859 1.344 1.00 0.00 N ATOM 1648 CA ARG A 109 27.047 -18.994 1.479 1.00 0.00 C ATOM 1649 C ARG A 109 25.661 -18.586 1.921 1.00 0.00 C ATOM 1650 O ARG A 109 24.656 -18.941 1.292 1.00 0.00 O ATOM 1651 CB ARG A 109 27.654 -19.774 2.599 1.00 0.00 C ATOM 1652 CG ARG A 109 28.959 -20.466 2.334 1.00 0.00 C ATOM 1653 CD ARG A 109 29.354 -21.341 3.508 1.00 0.00 C ATOM 1654 NE ARG A 109 28.394 -22.416 3.743 1.00 0.00 N ATOM 1655 CZ ARG A 109 28.195 -23.019 4.921 1.00 0.00 C ATOM 1656 NH1 ARG A 109 28.878 -22.630 6.003 1.00 0.00 N ATOM 1657 NH2 ARG A 109 27.303 -23.997 5.025 1.00 0.00 N ATOM 0 H ARG A 109 28.390 -17.670 2.179 1.00 0.00 H new ATOM 0 HA ARG A 109 26.991 -19.553 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.797 -19.097 3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 109 26.932 -20.527 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.877 -21.074 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.737 -19.726 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 109 30.339 -21.770 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 109 29.436 -20.727 4.405 1.00 0.00 H new ATOM 0 HE ARG A 109 27.834 -22.730 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 109 29.555 -21.870 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 109 28.722 -23.093 6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 109 26.769 -24.289 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 109 27.152 -24.456 5.923 1.00 0.00 H new ATOM 1670 N ALA A 110 25.648 -17.818 3.015 1.00 0.00 N ATOM 1671 CA ALA A 110 24.459 -17.315 3.671 1.00 0.00 C ATOM 1672 C ALA A 110 23.541 -16.692 2.690 1.00 0.00 C ATOM 1673 O ALA A 110 22.420 -17.075 2.625 1.00 0.00 O ATOM 1674 CB ALA A 110 24.834 -16.320 4.756 1.00 0.00 C ATOM 0 H ALA A 110 26.507 -17.523 3.479 1.00 0.00 H new ATOM 0 HA ALA A 110 23.942 -18.155 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.930 -15.951 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.467 -16.810 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.375 -15.484 4.312 1.00 0.00 H new ATOM 1680 N ALA A 111 24.088 -15.815 1.841 1.00 0.00 N ATOM 1681 CA ALA A 111 23.323 -15.095 0.806 1.00 0.00 C ATOM 1682 C ALA A 111 22.453 -16.031 0.014 1.00 0.00 C ATOM 1683 O ALA A 111 21.263 -15.795 -0.187 1.00 0.00 O ATOM 1684 CB ALA A 111 24.266 -14.385 -0.156 1.00 0.00 C ATOM 0 H ALA A 111 25.081 -15.580 1.849 1.00 0.00 H new ATOM 0 HA ALA A 111 22.693 -14.369 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.685 -13.859 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 111 24.877 -13.670 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.912 -15.118 -0.639 1.00 0.00 H new ATOM 1690 N GLU A 112 23.022 -17.133 -0.340 1.00 0.00 N ATOM 1691 CA GLU A 112 22.374 -18.057 -1.206 1.00 0.00 C ATOM 1692 C GLU A 112 21.417 -18.961 -0.467 1.00 0.00 C ATOM 1693 O GLU A 112 20.415 -19.418 -1.019 1.00 0.00 O ATOM 1694 CB GLU A 112 23.386 -18.837 -2.008 1.00 0.00 C ATOM 1695 CG GLU A 112 24.138 -18.023 -3.049 1.00 0.00 C ATOM 1696 CD GLU A 112 25.042 -18.884 -3.897 1.00 0.00 C ATOM 1697 OE1 GLU A 112 24.532 -19.692 -4.685 1.00 0.00 O ATOM 1698 OE2 GLU A 112 26.282 -18.766 -3.799 1.00 0.00 O ATOM 0 H GLU A 112 23.953 -17.419 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 112 21.767 -17.482 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.108 -19.280 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.876 -19.659 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.424 -17.506 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.731 -17.256 -2.550 1.00 0.00 H new ATOM 1705 N SER A 113 21.686 -19.181 0.763 1.00 0.00 N ATOM 1706 CA SER A 113 20.824 -19.966 1.586 1.00 0.00 C ATOM 1707 C SER A 113 19.775 -19.027 2.199 1.00 0.00 C ATOM 1708 O SER A 113 18.932 -19.428 2.995 1.00 0.00 O ATOM 1709 CB SER A 113 21.678 -20.683 2.647 1.00 0.00 C ATOM 1710 OG SER A 113 20.912 -21.545 3.483 1.00 0.00 O ATOM 0 H SER A 113 22.514 -18.823 1.239 1.00 0.00 H new ATOM 0 HA SER A 113 20.298 -20.735 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.455 -21.263 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.182 -19.939 3.264 1.00 0.00 H new ATOM 0 HG SER A 113 20.024 -21.156 3.628 1.00 0.00 H new ATOM 1716 N GLU A 114 19.835 -17.788 1.763 1.00 0.00 N ATOM 1717 CA GLU A 114 18.992 -16.739 2.211 1.00 0.00 C ATOM 1718 C GLU A 114 18.215 -16.134 1.133 1.00 0.00 C ATOM 1719 O GLU A 114 17.610 -15.083 1.336 1.00 0.00 O ATOM 1720 CB GLU A 114 19.783 -15.696 2.893 1.00 0.00 C ATOM 1721 CG GLU A 114 19.938 -16.004 4.341 1.00 0.00 C ATOM 1722 CD GLU A 114 20.710 -15.000 5.154 1.00 0.00 C ATOM 1723 OE1 GLU A 114 20.137 -13.982 5.556 1.00 0.00 O ATOM 1724 OE2 GLU A 114 21.886 -15.257 5.474 1.00 0.00 O ATOM 0 H GLU A 114 20.507 -17.487 1.057 1.00 0.00 H new ATOM 0 HA GLU A 114 18.286 -17.189 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.765 -15.617 2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.295 -14.729 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.945 -16.108 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.430 -16.972 4.435 1.00 0.00 H new ATOM 1731 N LYS A 115 18.218 -16.779 -0.025 1.00 0.00 N ATOM 1732 CA LYS A 115 17.419 -16.357 -1.118 1.00 0.00 C ATOM 1733 C LYS A 115 17.783 -14.960 -1.613 1.00 0.00 C ATOM 1734 O LYS A 115 16.959 -14.283 -2.247 1.00 0.00 O ATOM 1735 CB LYS A 115 15.994 -16.400 -0.648 1.00 0.00 C ATOM 1736 CG LYS A 115 15.377 -17.785 -0.563 1.00 0.00 C ATOM 1737 CD LYS A 115 15.128 -18.407 -1.925 1.00 0.00 C ATOM 1738 CE LYS A 115 14.532 -19.797 -1.779 1.00 0.00 C ATOM 1739 NZ LYS A 115 14.174 -20.397 -3.079 1.00 0.00 N ATOM 0 H LYS A 115 18.782 -17.608 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 115 17.584 -17.017 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.940 -15.936 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.389 -15.792 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.035 -18.436 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.434 -17.724 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.452 -17.775 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.064 -18.464 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.246 -20.443 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.643 -19.744 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.772 -21.344 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.472 -19.796 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.025 -20.474 -3.672 1.00 0.00 H new ATOM 1752 N VAL A 116 18.988 -14.518 -1.334 1.00 0.00 N ATOM 1753 CA VAL A 116 19.405 -13.212 -1.791 1.00 0.00 C ATOM 1754 C VAL A 116 20.661 -13.250 -2.604 1.00 0.00 C ATOM 1755 O VAL A 116 21.287 -14.301 -2.756 1.00 0.00 O ATOM 1756 CB VAL A 116 19.517 -12.186 -0.652 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.138 -11.737 -0.250 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.225 -12.799 0.543 1.00 0.00 C ATOM 0 H VAL A 116 19.688 -15.034 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 116 18.605 -12.876 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 116 20.096 -11.330 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.213 -11.009 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.641 -11.280 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.560 -12.597 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.297 -12.061 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.661 -13.662 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.226 -13.115 0.250 1.00 0.00 H new ATOM 1768 N ASP A 117 21.014 -12.108 -3.140 1.00 0.00 N ATOM 1769 CA ASP A 117 22.184 -11.979 -3.967 1.00 0.00 C ATOM 1770 C ASP A 117 23.129 -10.977 -3.399 1.00 0.00 C ATOM 1771 O ASP A 117 22.711 -9.891 -2.948 1.00 0.00 O ATOM 1772 CB ASP A 117 21.855 -11.489 -5.393 1.00 0.00 C ATOM 1773 CG ASP A 117 21.573 -12.556 -6.400 1.00 0.00 C ATOM 1774 OD1 ASP A 117 22.525 -13.269 -6.805 1.00 0.00 O ATOM 1775 OD2 ASP A 117 20.430 -12.638 -6.890 1.00 0.00 O ATOM 0 H ASP A 117 20.495 -11.239 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 117 22.619 -12.978 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 117 20.989 -10.829 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 117 22.691 -10.889 -5.752 1.00 0.00 H new ATOM 1780 N ILE A 118 24.382 -11.322 -3.385 1.00 0.00 N ATOM 1781 CA ILE A 118 25.401 -10.372 -3.130 1.00 0.00 C ATOM 1782 C ILE A 118 26.064 -10.011 -4.474 1.00 0.00 C ATOM 1783 O ILE A 118 26.467 -10.893 -5.240 1.00 0.00 O ATOM 1784 CB ILE A 118 26.423 -10.911 -2.114 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.968 -12.274 -2.554 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.782 -11.015 -0.734 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.963 -12.844 -1.600 1.00 0.00 C ATOM 0 H ILE A 118 24.717 -12.271 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 118 24.973 -9.474 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 118 27.260 -10.214 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.138 -12.972 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.431 -12.173 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.513 -11.397 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.445 -10.029 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.930 -11.693 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.310 -13.809 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.810 -12.164 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.497 -12.976 -0.624 1.00 0.00 H new ATOM 1799 N ARG A 119 26.069 -8.750 -4.795 1.00 0.00 N ATOM 1800 CA ARG A 119 26.656 -8.251 -6.026 1.00 0.00 C ATOM 1801 C ARG A 119 27.987 -7.637 -5.707 1.00 0.00 C ATOM 1802 O ARG A 119 28.069 -6.705 -4.887 1.00 0.00 O ATOM 1803 CB ARG A 119 25.738 -7.210 -6.677 1.00 0.00 C ATOM 1804 CG ARG A 119 24.390 -7.767 -7.095 1.00 0.00 C ATOM 1805 CD ARG A 119 23.489 -6.697 -7.685 1.00 0.00 C ATOM 1806 NE ARG A 119 22.205 -7.267 -8.103 1.00 0.00 N ATOM 1807 CZ ARG A 119 21.091 -6.580 -8.400 1.00 0.00 C ATOM 1808 NH1 ARG A 119 21.072 -5.244 -8.354 1.00 0.00 N ATOM 1809 NH2 ARG A 119 20.003 -7.241 -8.752 1.00 0.00 N ATOM 0 H ARG A 119 25.663 -8.021 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 119 26.784 -9.074 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 119 25.582 -6.388 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 119 26.237 -6.794 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 119 24.537 -8.561 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 119 23.900 -8.217 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 119 23.320 -5.911 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 119 23.981 -6.232 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 119 22.153 -8.283 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 119 21.913 -4.731 -8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.216 -4.738 -8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.017 -8.260 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 119 19.149 -6.732 -8.981 1.00 0.00 H new ATOM 1822 N LEU A 120 29.034 -8.157 -6.295 1.00 0.00 N ATOM 1823 CA LEU A 120 30.334 -7.675 -5.985 1.00 0.00 C ATOM 1824 C LEU A 120 31.225 -7.685 -7.225 1.00 0.00 C ATOM 1825 O LEU A 120 31.200 -8.630 -8.010 1.00 0.00 O ATOM 1826 CB LEU A 120 30.919 -8.558 -4.854 1.00 0.00 C ATOM 1827 CG LEU A 120 32.121 -8.028 -4.058 1.00 0.00 C ATOM 1828 CD1 LEU A 120 33.405 -8.048 -4.856 1.00 0.00 C ATOM 1829 CD2 LEU A 120 31.828 -6.636 -3.571 1.00 0.00 C ATOM 0 H LEU A 120 29.002 -8.908 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 120 30.282 -6.640 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 120 30.117 -8.764 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 120 31.208 -9.512 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 120 32.272 -8.695 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 120 34.220 -7.663 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 120 33.630 -9.071 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 120 33.292 -7.425 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 120 32.682 -6.261 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.642 -5.984 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 120 30.947 -6.653 -2.929 1.00 0.00 H new