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 Set 1.1: A 43 ASN : amide:sc= 0.39 K(o=0.95,f=-12!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -140:sc= 0.562 (180deg=-2.58!) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.516) USER MOD Single : A 51 GLN : amide:sc= 1.14 K(o=1.1,f=-0.12) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0271 F(o=-1.3,f=-0.027) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0817 (180deg=-0.471) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.159 F(o=-0.68,f=-0.16) USER MOD Single : A 82 THR OG1 : rot -52:sc= 1.19 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -37:sc= 0.0555 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -38:sc= 0.463 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -33:sc= 0.139 USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.670 -2.328 -2.931 1.00 0.00 N ATOM 676 CA ASN A 43 15.451 -1.869 -1.817 1.00 0.00 C ATOM 677 C ASN A 43 16.841 -2.412 -1.865 1.00 0.00 C ATOM 678 O ASN A 43 17.058 -3.530 -2.332 1.00 0.00 O ATOM 679 CB ASN A 43 14.781 -2.211 -0.512 1.00 0.00 C ATOM 680 CG ASN A 43 13.485 -1.436 -0.296 1.00 0.00 C ATOM 681 OD1 ASN A 43 13.497 -0.303 0.200 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.368 -2.039 -0.630 1.00 0.00 N ATOM 0 HA ASN A 43 15.520 -0.783 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.569 -3.280 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.466 -2.002 0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.473 -1.573 -0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.395 -2.974 -1.037 1.00 0.00 H new ATOM 689 N LEU A 44 17.793 -1.623 -1.416 1.00 0.00 N ATOM 690 CA LEU A 44 19.186 -2.011 -1.451 1.00 0.00 C ATOM 691 C LEU A 44 19.918 -1.661 -0.155 1.00 0.00 C ATOM 692 O LEU A 44 19.465 -0.830 0.657 1.00 0.00 O ATOM 693 CB LEU A 44 19.915 -1.324 -2.627 1.00 0.00 C ATOM 694 CG LEU A 44 19.414 -1.622 -4.049 1.00 0.00 C ATOM 695 CD1 LEU A 44 20.223 -0.842 -5.071 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.486 -3.109 -4.350 1.00 0.00 C ATOM 0 H LEU A 44 17.624 -0.699 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 44 19.200 -3.093 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.862 -0.246 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.968 -1.601 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 44 18.372 -1.309 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.855 -1.065 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 44 20.122 0.226 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 44 21.273 -1.127 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.126 -3.293 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.518 -3.448 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.865 -3.655 -3.639 1.00 0.00 H new ATOM 708 N ILE A 45 21.025 -2.329 0.029 1.00 0.00 N ATOM 709 CA ILE A 45 21.980 -2.064 1.070 1.00 0.00 C ATOM 710 C ILE A 45 23.302 -1.759 0.386 1.00 0.00 C ATOM 711 O ILE A 45 23.735 -2.496 -0.517 1.00 0.00 O ATOM 712 CB ILE A 45 22.132 -3.255 2.101 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.556 -3.331 2.688 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.738 -4.572 1.515 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.785 -2.590 3.968 1.00 0.00 C ATOM 0 H ILE A 45 21.297 -3.108 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 45 21.635 -1.221 1.669 1.00 0.00 H new ATOM 0 HB ILE A 45 21.440 -3.037 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.804 -4.380 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.254 -2.951 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.861 -5.355 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.695 -4.532 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.370 -4.791 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.821 -2.717 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.579 -1.530 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.122 -2.982 4.739 1.00 0.00 H new ATOM 727 N VAL A 46 23.903 -0.685 0.783 1.00 0.00 N ATOM 728 CA VAL A 46 25.131 -0.229 0.190 1.00 0.00 C ATOM 729 C VAL A 46 26.297 -0.515 1.133 1.00 0.00 C ATOM 730 O VAL A 46 26.208 -0.246 2.348 1.00 0.00 O ATOM 731 CB VAL A 46 25.050 1.285 -0.094 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.367 1.835 -0.598 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.951 1.616 -1.084 1.00 0.00 C ATOM 0 H VAL A 46 23.557 -0.089 1.535 1.00 0.00 H new ATOM 0 HA VAL A 46 25.290 -0.759 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 46 24.815 1.760 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.267 2.904 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.141 1.669 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.643 1.328 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.928 2.692 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.143 1.102 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.991 1.292 -0.683 1.00 0.00 H new ATOM 743 N LYS A 47 27.367 -1.067 0.597 1.00 0.00 N ATOM 744 CA LYS A 47 28.549 -1.385 1.372 1.00 0.00 C ATOM 745 C LYS A 47 29.784 -1.164 0.534 1.00 0.00 C ATOM 746 O LYS A 47 29.844 -1.593 -0.618 1.00 0.00 O ATOM 747 CB LYS A 47 28.538 -2.835 1.866 1.00 0.00 C ATOM 748 CG LYS A 47 27.385 -3.191 2.791 1.00 0.00 C ATOM 749 CD LYS A 47 27.501 -4.610 3.289 1.00 0.00 C ATOM 750 CE LYS A 47 28.687 -4.779 4.227 1.00 0.00 C ATOM 751 NZ LYS A 47 28.502 -4.075 5.507 1.00 0.00 N ATOM 0 H LYS A 47 27.441 -1.308 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 47 28.554 -0.728 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.508 -3.497 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.475 -3.033 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.371 -2.506 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.440 -3.065 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.584 -4.891 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.608 -5.286 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 47 28.845 -5.840 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.588 -4.407 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.232 -4.382 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.582 -3.049 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.561 -4.295 5.892 1.00 0.00 H new ATOM 764 N ALA A 48 30.757 -0.526 1.104 1.00 0.00 N ATOM 765 CA ALA A 48 31.985 -0.231 0.424 1.00 0.00 C ATOM 766 C ALA A 48 33.097 -0.169 1.437 1.00 0.00 C ATOM 767 O ALA A 48 32.828 -0.160 2.645 1.00 0.00 O ATOM 768 CB ALA A 48 31.871 1.093 -0.325 1.00 0.00 C ATOM 0 H ALA A 48 30.724 -0.190 2.066 1.00 0.00 H new ATOM 0 HA ALA A 48 32.199 -1.013 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.810 1.304 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.066 1.029 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.655 1.894 0.382 1.00 0.00 H new ATOM 774 N ASP A 49 34.322 -0.141 0.956 1.00 0.00 N ATOM 775 CA ASP A 49 35.501 -0.068 1.811 1.00 0.00 C ATOM 776 C ASP A 49 35.714 1.369 2.249 1.00 0.00 C ATOM 777 O ASP A 49 36.242 1.645 3.328 1.00 0.00 O ATOM 778 CB ASP A 49 36.738 -0.610 1.072 1.00 0.00 C ATOM 779 CG ASP A 49 38.023 -0.509 1.877 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.249 -1.343 2.801 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.850 0.377 1.586 1.00 0.00 O ATOM 0 H ASP A 49 34.535 -0.168 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 49 35.347 -0.687 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.565 -1.654 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.861 -0.062 0.138 1.00 0.00 H new ATOM 786 N VAL A 50 35.273 2.277 1.415 1.00 0.00 N ATOM 787 CA VAL A 50 35.292 3.677 1.709 1.00 0.00 C ATOM 788 C VAL A 50 33.911 4.032 2.241 1.00 0.00 C ATOM 789 O VAL A 50 32.908 3.767 1.569 1.00 0.00 O ATOM 790 CB VAL A 50 35.588 4.497 0.428 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.542 5.981 0.707 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.936 4.105 -0.165 1.00 0.00 C ATOM 0 H VAL A 50 34.885 2.054 0.498 1.00 0.00 H new ATOM 0 HA VAL A 50 36.070 3.907 2.437 1.00 0.00 H new ATOM 0 HB VAL A 50 34.811 4.267 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.754 6.530 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.551 6.252 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.288 6.233 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.123 4.693 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.724 4.296 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.927 3.045 -0.420 1.00 0.00 H new ATOM 802 N GLN A 51 33.846 4.621 3.424 1.00 0.00 N ATOM 803 CA GLN A 51 32.563 4.870 4.062 1.00 0.00 C ATOM 804 C GLN A 51 31.718 5.835 3.277 1.00 0.00 C ATOM 805 O GLN A 51 30.607 5.544 2.967 1.00 0.00 O ATOM 806 CB GLN A 51 32.686 5.355 5.493 1.00 0.00 C ATOM 807 CG GLN A 51 31.336 5.366 6.208 1.00 0.00 C ATOM 808 CD GLN A 51 31.375 6.095 7.507 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.655 5.532 8.557 1.00 0.00 O ATOM 810 NE2 GLN A 51 31.057 7.338 7.456 1.00 0.00 N ATOM 0 H GLN A 51 34.657 4.933 3.958 1.00 0.00 H new ATOM 0 HA GLN A 51 32.070 3.898 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.379 4.713 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.109 6.359 5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.591 5.828 5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 51 31.014 4.339 6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.830 7.770 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 51 31.031 7.893 8.311 1.00 0.00 H new ATOM 819 N GLY A 52 32.261 6.941 2.888 1.00 0.00 N ATOM 820 CA GLY A 52 31.456 7.915 2.184 1.00 0.00 C ATOM 821 C GLY A 52 31.113 7.509 0.768 1.00 0.00 C ATOM 822 O GLY A 52 30.407 8.215 0.071 1.00 0.00 O ATOM 0 H GLY A 52 33.236 7.201 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.533 8.080 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.989 8.866 2.161 1.00 0.00 H new ATOM 826 N SER A 53 31.545 6.328 0.372 1.00 0.00 N ATOM 827 CA SER A 53 31.237 5.813 -0.917 1.00 0.00 C ATOM 828 C SER A 53 29.860 5.186 -0.778 1.00 0.00 C ATOM 829 O SER A 53 29.106 5.058 -1.746 1.00 0.00 O ATOM 830 CB SER A 53 32.304 4.784 -1.327 1.00 0.00 C ATOM 831 OG SER A 53 32.187 4.359 -2.679 1.00 0.00 O ATOM 0 H SER A 53 32.118 5.710 0.946 1.00 0.00 H new ATOM 0 HA SER A 53 31.233 6.577 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.293 5.216 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.231 3.915 -0.673 1.00 0.00 H new ATOM 0 HG SER A 53 32.892 3.708 -2.880 1.00 0.00 H new ATOM 837 N VAL A 54 29.523 4.851 0.475 1.00 0.00 N ATOM 838 CA VAL A 54 28.236 4.340 0.788 1.00 0.00 C ATOM 839 C VAL A 54 27.279 5.512 0.926 1.00 0.00 C ATOM 840 O VAL A 54 26.217 5.531 0.328 1.00 0.00 O ATOM 841 CB VAL A 54 28.215 3.437 2.083 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.307 2.393 2.078 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.146 4.174 3.428 1.00 0.00 C ATOM 0 H VAL A 54 30.149 4.936 1.276 1.00 0.00 H new ATOM 0 HA VAL A 54 27.926 3.682 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 54 27.251 2.934 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.247 1.800 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.184 1.742 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.279 2.883 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.137 3.448 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.015 4.824 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.237 4.774 3.468 1.00 0.00 H new ATOM 853 N GLU A 55 27.740 6.519 1.646 1.00 0.00 N ATOM 854 CA GLU A 55 26.981 7.729 1.952 1.00 0.00 C ATOM 855 C GLU A 55 26.581 8.479 0.678 1.00 0.00 C ATOM 856 O GLU A 55 25.407 8.845 0.498 1.00 0.00 O ATOM 857 CB GLU A 55 27.799 8.631 2.892 1.00 0.00 C ATOM 858 CG GLU A 55 28.201 7.939 4.199 1.00 0.00 C ATOM 859 CD GLU A 55 29.011 8.820 5.127 1.00 0.00 C ATOM 860 OE1 GLU A 55 28.419 9.691 5.804 1.00 0.00 O ATOM 861 OE2 GLU A 55 30.240 8.630 5.241 1.00 0.00 O ATOM 0 H GLU A 55 28.678 6.523 2.047 1.00 0.00 H new ATOM 0 HA GLU A 55 26.058 7.440 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.698 8.963 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.218 9.523 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 27.301 7.610 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.779 7.045 3.964 1.00 0.00 H new ATOM 868 N ALA A 56 27.542 8.664 -0.218 1.00 0.00 N ATOM 869 CA ALA A 56 27.301 9.347 -1.487 1.00 0.00 C ATOM 870 C ALA A 56 26.312 8.569 -2.350 1.00 0.00 C ATOM 871 O ALA A 56 25.513 9.159 -3.091 1.00 0.00 O ATOM 872 CB ALA A 56 28.607 9.557 -2.240 1.00 0.00 C ATOM 0 H ALA A 56 28.503 8.349 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 56 26.866 10.321 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.406 10.067 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.282 10.163 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.070 8.591 -2.442 1.00 0.00 H new ATOM 878 N LEU A 57 26.339 7.250 -2.229 1.00 0.00 N ATOM 879 CA LEU A 57 25.446 6.415 -2.983 1.00 0.00 C ATOM 880 C LEU A 57 24.052 6.461 -2.370 1.00 0.00 C ATOM 881 O LEU A 57 23.071 6.556 -3.080 1.00 0.00 O ATOM 882 CB LEU A 57 25.994 4.978 -3.102 1.00 0.00 C ATOM 883 CG LEU A 57 25.155 3.984 -3.923 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.815 4.561 -5.293 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.920 2.686 -4.113 1.00 0.00 C ATOM 0 H LEU A 57 26.975 6.744 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 57 25.372 6.798 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.989 5.029 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.112 4.574 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 57 24.232 3.794 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.221 3.840 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.245 5.482 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.735 4.775 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.316 1.990 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.852 2.887 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 57 26.141 2.248 -3.140 1.00 0.00 H new ATOM 897 N VAL A 58 23.995 6.462 -1.044 1.00 0.00 N ATOM 898 CA VAL A 58 22.742 6.560 -0.283 1.00 0.00 C ATOM 899 C VAL A 58 21.916 7.769 -0.715 1.00 0.00 C ATOM 900 O VAL A 58 20.713 7.661 -0.956 1.00 0.00 O ATOM 901 CB VAL A 58 23.034 6.620 1.250 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.837 7.107 2.067 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.435 5.259 1.730 1.00 0.00 C ATOM 0 H VAL A 58 24.824 6.394 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 58 22.157 5.665 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 58 23.839 7.340 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.102 7.127 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.560 8.110 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.995 6.431 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.640 5.296 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.626 4.553 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.331 4.936 1.200 1.00 0.00 H new ATOM 913 N ALA A 59 22.572 8.889 -0.868 1.00 0.00 N ATOM 914 CA ALA A 59 21.915 10.138 -1.250 1.00 0.00 C ATOM 915 C ALA A 59 21.370 10.106 -2.687 1.00 0.00 C ATOM 916 O ALA A 59 20.466 10.862 -3.027 1.00 0.00 O ATOM 917 CB ALA A 59 22.856 11.311 -1.056 1.00 0.00 C ATOM 0 H ALA A 59 23.580 8.974 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 59 21.054 10.260 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.352 12.233 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.151 11.371 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 59 23.742 11.173 -1.675 1.00 0.00 H new ATOM 923 N ALA A 60 21.898 9.225 -3.504 1.00 0.00 N ATOM 924 CA ALA A 60 21.471 9.103 -4.889 1.00 0.00 C ATOM 925 C ALA A 60 20.561 7.919 -5.055 1.00 0.00 C ATOM 926 O ALA A 60 19.953 7.723 -6.100 1.00 0.00 O ATOM 927 CB ALA A 60 22.670 8.950 -5.787 1.00 0.00 C ATOM 0 H ALA A 60 22.634 8.572 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 60 20.928 10.007 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.340 8.859 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.314 9.824 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.225 8.056 -5.503 1.00 0.00 H new ATOM 933 N LEU A 61 20.469 7.155 -4.025 1.00 0.00 N ATOM 934 CA LEU A 61 19.705 5.962 -4.036 1.00 0.00 C ATOM 935 C LEU A 61 18.347 6.243 -3.420 1.00 0.00 C ATOM 936 O LEU A 61 17.340 5.846 -3.944 1.00 0.00 O ATOM 937 CB LEU A 61 20.465 4.920 -3.236 1.00 0.00 C ATOM 938 CG LEU A 61 20.473 3.489 -3.755 1.00 0.00 C ATOM 939 CD1 LEU A 61 19.084 2.901 -3.747 1.00 0.00 C ATOM 940 CD2 LEU A 61 21.074 3.447 -5.155 1.00 0.00 C ATOM 0 H LEU A 61 20.931 7.346 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 61 19.549 5.595 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.500 5.251 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.053 4.907 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 61 21.090 2.883 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.120 1.878 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.695 2.900 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.432 3.499 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.076 2.420 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.480 4.068 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.097 3.823 -5.123 1.00 0.00 H new ATOM 952 N GLN A 62 18.340 6.986 -2.322 1.00 0.00 N ATOM 953 CA GLN A 62 17.091 7.335 -1.621 1.00 0.00 C ATOM 954 C GLN A 62 16.210 8.241 -2.472 1.00 0.00 C ATOM 955 O GLN A 62 15.008 8.336 -2.252 1.00 0.00 O ATOM 956 CB GLN A 62 17.399 8.046 -0.301 1.00 0.00 C ATOM 957 CG GLN A 62 18.146 9.360 -0.480 1.00 0.00 C ATOM 958 CD GLN A 62 18.464 10.038 0.818 1.00 0.00 C ATOM 959 OE1 GLN A 62 19.592 9.705 1.378 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 17.694 10.854 1.322 1.00 0.00 N flip ATOM 0 H GLN A 62 19.182 7.364 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 62 16.559 6.404 -1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.464 8.237 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.991 7.383 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.073 9.173 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.547 10.031 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.820 11.088 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.930 11.297 2.210 1.00 0.00 H new ATOM 969 N LYS A 63 16.812 8.887 -3.446 1.00 0.00 N ATOM 970 CA LYS A 63 16.105 9.849 -4.250 1.00 0.00 C ATOM 971 C LYS A 63 15.408 9.193 -5.452 1.00 0.00 C ATOM 972 O LYS A 63 14.738 9.881 -6.244 1.00 0.00 O ATOM 973 CB LYS A 63 17.046 10.992 -4.693 1.00 0.00 C ATOM 974 CG LYS A 63 18.126 10.599 -5.693 1.00 0.00 C ATOM 975 CD LYS A 63 19.026 11.784 -6.014 1.00 0.00 C ATOM 976 CE LYS A 63 19.785 11.583 -7.314 1.00 0.00 C ATOM 977 NZ LYS A 63 18.871 11.542 -8.478 1.00 0.00 N ATOM 0 H LYS A 63 17.792 8.760 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 63 15.320 10.281 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.443 11.788 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.528 11.407 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.724 9.783 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.663 10.230 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.423 12.690 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.735 11.933 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.505 12.391 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.354 10.654 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.395 11.793 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.479 10.584 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.095 12.220 -8.334 1.00 0.00 H new ATOM 1098 N VAL A 71 13.295 3.040 -5.557 1.00 0.00 N ATOM 1099 CA VAL A 71 14.446 2.316 -5.135 1.00 0.00 C ATOM 1100 C VAL A 71 14.929 3.018 -3.891 1.00 0.00 C ATOM 1101 O VAL A 71 15.023 4.241 -3.875 1.00 0.00 O ATOM 1102 CB VAL A 71 15.559 2.303 -6.224 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.731 1.440 -5.809 1.00 0.00 C ATOM 1104 CG2 VAL A 71 15.016 1.845 -7.567 1.00 0.00 C ATOM 0 HA VAL A 71 14.201 1.270 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 71 15.913 3.329 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.489 1.454 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.158 1.827 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.391 0.416 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.819 1.848 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.614 0.836 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.225 2.522 -7.890 1.00 0.00 H new ATOM 1114 N LYS A 72 15.162 2.295 -2.841 1.00 0.00 N ATOM 1115 CA LYS A 72 15.536 2.922 -1.604 1.00 0.00 C ATOM 1116 C LYS A 72 16.606 2.125 -0.894 1.00 0.00 C ATOM 1117 O LYS A 72 16.725 0.916 -1.077 1.00 0.00 O ATOM 1118 CB LYS A 72 14.295 3.108 -0.693 1.00 0.00 C ATOM 1119 CG LYS A 72 14.580 3.853 0.615 1.00 0.00 C ATOM 1120 CD LYS A 72 13.345 4.074 1.490 1.00 0.00 C ATOM 1121 CE LYS A 72 12.827 2.802 2.194 1.00 0.00 C ATOM 1122 NZ LYS A 72 12.188 1.817 1.294 1.00 0.00 N ATOM 0 H LYS A 72 15.102 1.277 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 72 15.947 3.905 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.530 3.651 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.882 2.127 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.321 3.293 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.024 4.821 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.580 4.823 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.546 4.484 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.661 2.320 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.109 3.094 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.351 1.412 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.899 2.288 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.864 1.057 1.075 1.00 0.00 H new ATOM 1135 N ILE A 73 17.379 2.806 -0.100 1.00 0.00 N ATOM 1136 CA ILE A 73 18.368 2.194 0.716 1.00 0.00 C ATOM 1137 C ILE A 73 17.812 1.927 2.089 1.00 0.00 C ATOM 1138 O ILE A 73 17.004 2.691 2.604 1.00 0.00 O ATOM 1139 CB ILE A 73 19.693 3.010 0.802 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.479 4.551 0.774 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.650 2.579 -0.276 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.727 5.142 1.956 1.00 0.00 C ATOM 0 H ILE A 73 17.333 3.821 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 73 18.630 1.250 0.238 1.00 0.00 H new ATOM 0 HB ILE A 73 20.127 2.787 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.455 5.032 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.940 4.806 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.569 3.160 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.879 1.520 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 73 20.196 2.745 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.638 6.221 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.732 4.700 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.271 4.929 2.876 1.00 0.00 H new ATOM 1154 N ILE A 74 18.176 0.830 2.637 1.00 0.00 N ATOM 1155 CA ILE A 74 17.699 0.468 3.943 1.00 0.00 C ATOM 1156 C ILE A 74 18.823 0.515 4.949 1.00 0.00 C ATOM 1157 O ILE A 74 18.606 0.785 6.137 1.00 0.00 O ATOM 1158 CB ILE A 74 17.046 -0.941 3.897 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.889 -0.927 2.903 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.559 -1.385 5.269 1.00 0.00 C ATOM 1161 CD1 ILE A 74 15.201 -2.249 2.738 1.00 0.00 C ATOM 0 H ILE A 74 18.807 0.153 2.209 1.00 0.00 H new ATOM 0 HA ILE A 74 16.942 1.187 4.257 1.00 0.00 H new ATOM 0 HB ILE A 74 17.802 -1.658 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.157 -0.187 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.263 -0.602 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.109 -2.375 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.401 -1.422 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.817 -0.677 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.392 -2.150 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.917 -2.990 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.793 -2.569 3.697 1.00 0.00 H new ATOM 1173 N HIS A 75 20.026 0.346 4.466 1.00 0.00 N ATOM 1174 CA HIS A 75 21.154 0.185 5.328 1.00 0.00 C ATOM 1175 C HIS A 75 22.415 0.477 4.498 1.00 0.00 C ATOM 1176 O HIS A 75 22.443 0.179 3.295 1.00 0.00 O ATOM 1177 CB HIS A 75 21.079 -1.283 5.835 1.00 0.00 C ATOM 1178 CG HIS A 75 21.972 -1.708 6.983 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.499 -2.920 7.268 1.00 0.00 N flip ATOM 1180 CD2 HIS A 75 22.369 -0.886 8.009 1.00 0.00 C flip ATOM 1181 CE1 HIS A 75 23.191 -2.801 8.436 1.00 0.00 C flip ATOM 1182 NE2 HIS A 75 23.099 -1.570 8.864 1.00 0.00 N flip ATOM 0 H HIS A 75 20.245 0.317 3.470 1.00 0.00 H new ATOM 0 HA HIS A 75 21.173 0.858 6.185 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.048 -1.477 6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.297 -1.935 4.989 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.120 0.161 8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 75 23.729 -3.597 8.929 1.00 0.00 H new ATOM 0 HE2 HIS A 75 23.521 -1.202 9.716 1.00 0.00 H new ATOM 1190 N ALA A 76 23.394 1.105 5.102 1.00 0.00 N ATOM 1191 CA ALA A 76 24.657 1.449 4.458 1.00 0.00 C ATOM 1192 C ALA A 76 25.756 1.368 5.481 1.00 0.00 C ATOM 1193 O ALA A 76 25.652 1.976 6.551 1.00 0.00 O ATOM 1194 CB ALA A 76 24.588 2.854 3.899 1.00 0.00 C ATOM 0 H ALA A 76 23.343 1.402 6.077 1.00 0.00 H new ATOM 0 HA ALA A 76 24.853 0.755 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.535 3.102 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.784 2.915 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.395 3.558 4.708 1.00 0.00 H new ATOM 1200 N ALA A 77 26.799 0.633 5.184 1.00 0.00 N ATOM 1201 CA ALA A 77 27.861 0.441 6.147 1.00 0.00 C ATOM 1202 C ALA A 77 29.199 0.293 5.463 1.00 0.00 C ATOM 1203 O ALA A 77 29.273 -0.175 4.318 1.00 0.00 O ATOM 1204 CB ALA A 77 27.568 -0.780 7.003 1.00 0.00 C ATOM 0 H ALA A 77 26.938 0.160 4.291 1.00 0.00 H new ATOM 0 HA ALA A 77 27.908 1.324 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.372 -0.919 7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.625 -0.636 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.496 -1.662 6.366 1.00 0.00 H new ATOM 1210 N VAL A 78 30.247 0.648 6.161 1.00 0.00 N ATOM 1211 CA VAL A 78 31.584 0.549 5.626 1.00 0.00 C ATOM 1212 C VAL A 78 32.234 -0.780 6.025 1.00 0.00 C ATOM 1213 O VAL A 78 32.706 -0.969 7.146 1.00 0.00 O ATOM 1214 CB VAL A 78 32.480 1.772 6.024 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.504 2.021 7.532 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.888 1.609 5.492 1.00 0.00 C ATOM 0 H VAL A 78 30.200 1.013 7.112 1.00 0.00 H new ATOM 0 HA VAL A 78 31.499 0.572 4.540 1.00 0.00 H new ATOM 0 HB VAL A 78 32.027 2.650 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.140 2.879 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.492 2.221 7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.897 1.140 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.489 2.471 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.330 0.703 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.860 1.536 4.405 1.00 0.00 H new ATOM 1226 N GLY A 79 32.118 -1.722 5.155 1.00 0.00 N ATOM 1227 CA GLY A 79 32.718 -2.995 5.342 1.00 0.00 C ATOM 1228 C GLY A 79 32.447 -3.842 4.158 1.00 0.00 C ATOM 1229 O GLY A 79 31.685 -3.429 3.266 1.00 0.00 O ATOM 0 H GLY A 79 31.597 -1.628 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.793 -2.886 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 79 32.322 -3.468 6.240 1.00 0.00 H new ATOM 1233 N ALA A 80 33.021 -5.001 4.122 1.00 0.00 N ATOM 1234 CA ALA A 80 32.703 -5.942 3.094 1.00 0.00 C ATOM 1235 C ALA A 80 31.477 -6.731 3.525 1.00 0.00 C ATOM 1236 O ALA A 80 31.001 -6.570 4.647 1.00 0.00 O ATOM 1237 CB ALA A 80 33.873 -6.846 2.783 1.00 0.00 C ATOM 0 H ALA A 80 33.716 -5.321 4.796 1.00 0.00 H new ATOM 0 HA ALA A 80 32.482 -5.409 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.592 -7.547 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.718 -6.245 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 80 34.154 -7.399 3.679 1.00 0.00 H new ATOM 1243 N ILE A 81 31.002 -7.593 2.677 1.00 0.00 N ATOM 1244 CA ILE A 81 29.735 -8.247 2.880 1.00 0.00 C ATOM 1245 C ILE A 81 29.872 -9.389 3.872 1.00 0.00 C ATOM 1246 O ILE A 81 30.558 -10.381 3.592 1.00 0.00 O ATOM 1247 CB ILE A 81 29.240 -8.758 1.515 1.00 0.00 C ATOM 1248 CG1 ILE A 81 29.245 -7.589 0.534 1.00 0.00 C ATOM 1249 CG2 ILE A 81 27.839 -9.358 1.624 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.449 -8.000 -0.885 1.00 0.00 C ATOM 0 H ILE A 81 31.481 -7.867 1.819 1.00 0.00 H new ATOM 0 HA ILE A 81 29.013 -7.545 3.297 1.00 0.00 H new ATOM 0 HB ILE A 81 29.903 -9.548 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.299 -7.053 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 81 30.032 -6.891 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.517 -9.710 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 27.855 -10.194 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.145 -8.598 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.441 -7.117 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.408 -8.509 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 81 28.648 -8.674 -1.187 1.00 0.00 H new ATOM 1262 N THR A 82 29.261 -9.239 5.034 1.00 0.00 N ATOM 1263 CA THR A 82 29.297 -10.279 6.025 1.00 0.00 C ATOM 1264 C THR A 82 27.920 -10.926 6.096 1.00 0.00 C ATOM 1265 O THR A 82 26.946 -10.367 5.565 1.00 0.00 O ATOM 1266 CB THR A 82 29.760 -9.767 7.417 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.889 -8.743 7.903 1.00 0.00 O ATOM 1268 CG2 THR A 82 31.182 -9.225 7.348 1.00 0.00 C ATOM 0 H THR A 82 28.738 -8.407 5.306 1.00 0.00 H new ATOM 0 HA THR A 82 30.040 -11.019 5.727 1.00 0.00 H new ATOM 0 HB THR A 82 29.730 -10.614 8.103 1.00 0.00 H new ATOM 0 HG1 THR A 82 28.786 -8.049 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.485 -8.872 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.857 -10.016 7.022 1.00 0.00 H new ATOM 0 HG23 THR A 82 31.222 -8.398 6.639 1.00 0.00 H new ATOM 1276 N GLU A 83 27.819 -12.080 6.734 1.00 0.00 N ATOM 1277 CA GLU A 83 26.576 -12.835 6.744 1.00 0.00 C ATOM 1278 C GLU A 83 25.455 -12.121 7.509 1.00 0.00 C ATOM 1279 O GLU A 83 24.280 -12.338 7.239 1.00 0.00 O ATOM 1280 CB GLU A 83 26.807 -14.263 7.255 1.00 0.00 C ATOM 1281 CG GLU A 83 27.215 -14.360 8.702 1.00 0.00 C ATOM 1282 CD GLU A 83 27.716 -15.725 9.070 1.00 0.00 C ATOM 1283 OE1 GLU A 83 26.910 -16.680 9.094 1.00 0.00 O ATOM 1284 OE2 GLU A 83 28.938 -15.872 9.325 1.00 0.00 O ATOM 0 H GLU A 83 28.582 -12.515 7.252 1.00 0.00 H new ATOM 0 HA GLU A 83 26.233 -12.902 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 83 25.892 -14.837 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.577 -14.732 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 83 27.993 -13.624 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.363 -14.107 9.334 1.00 0.00 H new ATOM 1291 N SER A 84 25.809 -11.246 8.423 1.00 0.00 N ATOM 1292 CA SER A 84 24.812 -10.539 9.181 1.00 0.00 C ATOM 1293 C SER A 84 24.181 -9.421 8.319 1.00 0.00 C ATOM 1294 O SER A 84 23.020 -9.028 8.532 1.00 0.00 O ATOM 1295 CB SER A 84 25.412 -9.995 10.483 1.00 0.00 C ATOM 1296 OG SER A 84 24.404 -9.561 11.374 1.00 0.00 O ATOM 0 H SER A 84 26.774 -11.011 8.656 1.00 0.00 H new ATOM 0 HA SER A 84 24.015 -11.229 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.012 -10.770 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 84 26.082 -9.166 10.258 1.00 0.00 H new ATOM 0 HG SER A 84 24.817 -9.221 12.195 1.00 0.00 H new ATOM 1302 N ASP A 85 24.932 -8.948 7.312 1.00 0.00 N ATOM 1303 CA ASP A 85 24.424 -7.936 6.364 1.00 0.00 C ATOM 1304 C ASP A 85 23.388 -8.592 5.498 1.00 0.00 C ATOM 1305 O ASP A 85 22.352 -8.007 5.153 1.00 0.00 O ATOM 1306 CB ASP A 85 25.535 -7.402 5.436 1.00 0.00 C ATOM 1307 CG ASP A 85 26.616 -6.626 6.120 1.00 0.00 C ATOM 1308 OD1 ASP A 85 26.413 -5.442 6.485 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.722 -7.156 6.267 1.00 0.00 O ATOM 0 H ASP A 85 25.890 -9.247 7.131 1.00 0.00 H new ATOM 0 HA ASP A 85 24.022 -7.102 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.989 -8.246 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 85 25.078 -6.767 4.677 1.00 0.00 H new ATOM 1314 N ILE A 86 23.677 -9.839 5.170 1.00 0.00 N ATOM 1315 CA ILE A 86 22.839 -10.681 4.338 1.00 0.00 C ATOM 1316 C ILE A 86 21.428 -10.806 4.915 1.00 0.00 C ATOM 1317 O ILE A 86 20.431 -10.768 4.177 1.00 0.00 O ATOM 1318 CB ILE A 86 23.456 -12.086 4.231 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.857 -12.042 3.604 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.551 -13.013 3.480 1.00 0.00 C ATOM 1321 CD1 ILE A 86 24.910 -11.417 2.234 1.00 0.00 C ATOM 0 H ILE A 86 24.527 -10.307 5.485 1.00 0.00 H new ATOM 0 HA ILE A 86 22.776 -10.218 3.353 1.00 0.00 H new ATOM 0 HB ILE A 86 23.568 -12.475 5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 86 25.521 -11.488 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.245 -13.059 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.011 -13.999 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.596 -13.089 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.387 -12.626 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 86 25.937 -11.428 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 86 24.276 -11.982 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 86 24.556 -10.388 2.290 1.00 0.00 H new ATOM 1333 N SER A 87 21.357 -10.903 6.222 1.00 0.00 N ATOM 1334 CA SER A 87 20.117 -11.068 6.921 1.00 0.00 C ATOM 1335 C SER A 87 19.131 -9.914 6.644 1.00 0.00 C ATOM 1336 O SER A 87 17.923 -10.125 6.644 1.00 0.00 O ATOM 1337 CB SER A 87 20.409 -11.225 8.399 1.00 0.00 C ATOM 1338 OG SER A 87 21.348 -12.282 8.592 1.00 0.00 O ATOM 0 H SER A 87 22.174 -10.868 6.832 1.00 0.00 H new ATOM 0 HA SER A 87 19.621 -11.967 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.807 -10.294 8.802 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.488 -11.440 8.941 1.00 0.00 H new ATOM 0 HG SER A 87 21.164 -13.003 7.954 1.00 0.00 H new ATOM 1344 N LEU A 88 19.652 -8.725 6.347 1.00 0.00 N ATOM 1345 CA LEU A 88 18.816 -7.583 6.035 1.00 0.00 C ATOM 1346 C LEU A 88 18.266 -7.724 4.624 1.00 0.00 C ATOM 1347 O LEU A 88 17.091 -7.391 4.353 1.00 0.00 O ATOM 1348 CB LEU A 88 19.617 -6.259 6.223 1.00 0.00 C ATOM 1349 CG LEU A 88 18.924 -4.909 5.861 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.006 -4.617 4.364 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.465 -4.932 6.289 1.00 0.00 C ATOM 0 H LEU A 88 20.654 -8.534 6.318 1.00 0.00 H new ATOM 0 HA LEU A 88 17.970 -7.547 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.924 -6.204 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.526 -6.335 5.627 1.00 0.00 H new ATOM 0 HG LEU A 88 19.453 -4.120 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.513 -3.669 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.052 -4.558 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.513 -5.416 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.995 -3.983 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.949 -5.745 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.404 -5.085 7.367 1.00 0.00 H new ATOM 1363 N ALA A 89 19.090 -8.248 3.751 1.00 0.00 N ATOM 1364 CA ALA A 89 18.748 -8.400 2.364 1.00 0.00 C ATOM 1365 C ALA A 89 17.513 -9.290 2.194 1.00 0.00 C ATOM 1366 O ALA A 89 16.579 -8.934 1.487 1.00 0.00 O ATOM 1367 CB ALA A 89 19.946 -8.926 1.591 1.00 0.00 C ATOM 0 H ALA A 89 20.024 -8.583 3.988 1.00 0.00 H new ATOM 0 HA ALA A 89 18.487 -7.425 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.680 -9.039 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 89 20.775 -8.224 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.244 -9.893 1.996 1.00 0.00 H new ATOM 1373 N THR A 90 17.483 -10.412 2.865 1.00 0.00 N ATOM 1374 CA THR A 90 16.315 -11.275 2.793 1.00 0.00 C ATOM 1375 C THR A 90 15.157 -10.730 3.685 1.00 0.00 C ATOM 1376 O THR A 90 13.984 -10.992 3.413 1.00 0.00 O ATOM 1377 CB THR A 90 16.667 -12.762 3.150 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.502 -13.599 3.100 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.330 -12.875 4.511 1.00 0.00 C ATOM 0 H THR A 90 18.237 -10.753 3.461 1.00 0.00 H new ATOM 0 HA THR A 90 15.968 -11.269 1.760 1.00 0.00 H new ATOM 0 HB THR A 90 17.377 -13.106 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.751 -14.520 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.557 -13.921 4.719 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.253 -12.295 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.656 -12.490 5.277 1.00 0.00 H new ATOM 1387 N ALA A 91 15.504 -9.914 4.701 1.00 0.00 N ATOM 1388 CA ALA A 91 14.524 -9.380 5.667 1.00 0.00 C ATOM 1389 C ALA A 91 13.537 -8.405 5.043 1.00 0.00 C ATOM 1390 O ALA A 91 12.355 -8.695 4.916 1.00 0.00 O ATOM 1391 CB ALA A 91 15.220 -8.715 6.847 1.00 0.00 C ATOM 0 H ALA A 91 16.462 -9.609 4.874 1.00 0.00 H new ATOM 0 HA ALA A 91 13.955 -10.242 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.472 -8.331 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.848 -9.445 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.838 -7.892 6.488 1.00 0.00 H new ATOM 1397 N SER A 92 14.025 -7.261 4.633 1.00 0.00 N ATOM 1398 CA SER A 92 13.151 -6.234 4.109 1.00 0.00 C ATOM 1399 C SER A 92 13.163 -6.257 2.586 1.00 0.00 C ATOM 1400 O SER A 92 12.528 -5.420 1.934 1.00 0.00 O ATOM 1401 CB SER A 92 13.561 -4.856 4.665 1.00 0.00 C ATOM 1402 OG SER A 92 12.674 -3.830 4.234 1.00 0.00 O ATOM 0 H SER A 92 15.015 -7.016 4.650 1.00 0.00 H new ATOM 0 HA SER A 92 12.129 -6.431 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.574 -4.892 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.575 -4.620 4.342 1.00 0.00 H new ATOM 0 HG SER A 92 12.411 -3.994 3.304 1.00 0.00 H new ATOM 1408 N ASN A 93 13.863 -7.243 2.048 1.00 0.00 N ATOM 1409 CA ASN A 93 14.009 -7.463 0.613 1.00 0.00 C ATOM 1410 C ASN A 93 14.872 -6.419 -0.036 1.00 0.00 C ATOM 1411 O ASN A 93 14.398 -5.531 -0.754 1.00 0.00 O ATOM 1412 CB ASN A 93 12.684 -7.681 -0.156 1.00 0.00 C ATOM 1413 CG ASN A 93 11.961 -8.947 0.257 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.205 -10.026 -0.284 1.00 0.00 O ATOM 1415 ND2 ASN A 93 11.059 -8.833 1.200 1.00 0.00 N ATOM 0 H ASN A 93 14.360 -7.933 2.611 1.00 0.00 H new ATOM 0 HA ASN A 93 14.527 -8.419 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.030 -6.825 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.893 -7.721 -1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.535 -9.653 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 93 10.881 -7.924 1.628 1.00 0.00 H new ATOM 1422 N ALA A 94 16.127 -6.482 0.306 1.00 0.00 N ATOM 1423 CA ALA A 94 17.129 -5.656 -0.280 1.00 0.00 C ATOM 1424 C ALA A 94 18.162 -6.548 -0.945 1.00 0.00 C ATOM 1425 O ALA A 94 18.148 -7.759 -0.750 1.00 0.00 O ATOM 1426 CB ALA A 94 17.785 -4.788 0.782 1.00 0.00 C ATOM 0 H ALA A 94 16.484 -7.123 1.014 1.00 0.00 H new ATOM 0 HA ALA A 94 16.678 -4.997 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.548 -4.162 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.032 -4.155 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.246 -5.424 1.538 1.00 0.00 H new ATOM 1432 N ILE A 95 19.000 -5.979 -1.746 1.00 0.00 N ATOM 1433 CA ILE A 95 20.105 -6.704 -2.349 1.00 0.00 C ATOM 1434 C ILE A 95 21.378 -5.989 -1.918 1.00 0.00 C ATOM 1435 O ILE A 95 21.371 -4.757 -1.766 1.00 0.00 O ATOM 1436 CB ILE A 95 20.003 -6.721 -3.921 1.00 0.00 C ATOM 1437 CG1 ILE A 95 18.706 -7.413 -4.399 1.00 0.00 C ATOM 1438 CG2 ILE A 95 21.227 -7.383 -4.563 1.00 0.00 C ATOM 1439 CD1 ILE A 95 18.594 -8.880 -4.013 1.00 0.00 C ATOM 0 H ILE A 95 18.951 -4.995 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 95 20.093 -7.744 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 95 19.974 -5.680 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 95 17.851 -6.876 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 95 18.644 -7.330 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.118 -7.375 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 95 22.126 -6.833 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 95 21.309 -8.412 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 95 17.654 -9.284 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 95 19.427 -9.435 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.621 -8.974 -2.927 1.00 0.00 H new ATOM 1451 N VAL A 96 22.437 -6.730 -1.691 1.00 0.00 N ATOM 1452 CA VAL A 96 23.676 -6.135 -1.245 1.00 0.00 C ATOM 1453 C VAL A 96 24.574 -5.859 -2.427 1.00 0.00 C ATOM 1454 O VAL A 96 24.929 -6.779 -3.193 1.00 0.00 O ATOM 1455 CB VAL A 96 24.448 -7.034 -0.234 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.627 -6.287 0.375 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.536 -7.592 0.853 1.00 0.00 C ATOM 0 H VAL A 96 22.466 -7.743 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 96 23.408 -5.209 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 96 24.835 -7.884 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.147 -6.939 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.313 -5.984 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.265 -5.403 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.119 -8.212 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.085 -6.769 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.751 -8.194 0.396 1.00 0.00 H new ATOM 1467 N ILE A 97 24.898 -4.608 -2.597 1.00 0.00 N ATOM 1468 CA ILE A 97 25.842 -4.190 -3.596 1.00 0.00 C ATOM 1469 C ILE A 97 27.100 -3.780 -2.875 1.00 0.00 C ATOM 1470 O ILE A 97 27.112 -2.802 -2.110 1.00 0.00 O ATOM 1471 CB ILE A 97 25.339 -3.003 -4.521 1.00 0.00 C ATOM 1472 CG1 ILE A 97 24.214 -3.435 -5.487 1.00 0.00 C ATOM 1473 CG2 ILE A 97 26.490 -2.395 -5.322 1.00 0.00 C ATOM 1474 CD1 ILE A 97 22.904 -3.794 -4.839 1.00 0.00 C ATOM 0 H ILE A 97 24.512 -3.844 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 97 26.002 -5.028 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 97 24.931 -2.251 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.038 -2.627 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 97 24.562 -4.293 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 97 26.111 -1.585 -5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 97 27.243 -2.005 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 97 26.937 -3.161 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.185 -4.082 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 97 23.054 -4.626 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.522 -2.934 -4.289 1.00 0.00 H new ATOM 1486 N GLY A 98 28.111 -4.554 -3.057 1.00 0.00 N ATOM 1487 CA GLY A 98 29.353 -4.255 -2.454 1.00 0.00 C ATOM 1488 C GLY A 98 30.249 -3.603 -3.447 1.00 0.00 C ATOM 1489 O GLY A 98 30.343 -4.060 -4.590 1.00 0.00 O ATOM 0 H GLY A 98 28.098 -5.403 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.203 -3.597 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.815 -5.168 -2.078 1.00 0.00 H new ATOM 1493 N PHE A 99 30.929 -2.578 -3.058 1.00 0.00 N ATOM 1494 CA PHE A 99 31.738 -1.887 -4.020 1.00 0.00 C ATOM 1495 C PHE A 99 33.157 -2.400 -3.953 1.00 0.00 C ATOM 1496 O PHE A 99 33.949 -1.946 -3.127 1.00 0.00 O ATOM 1497 CB PHE A 99 31.657 -0.360 -3.842 1.00 0.00 C ATOM 1498 CG PHE A 99 32.288 0.419 -4.971 1.00 0.00 C ATOM 1499 CD1 PHE A 99 31.817 0.276 -6.267 1.00 0.00 C ATOM 1500 CD2 PHE A 99 33.331 1.297 -4.741 1.00 0.00 C ATOM 1501 CE1 PHE A 99 32.375 0.987 -7.306 1.00 0.00 C ATOM 1502 CE2 PHE A 99 33.895 2.010 -5.781 1.00 0.00 C ATOM 1503 CZ PHE A 99 33.417 1.854 -7.063 1.00 0.00 C ATOM 0 H PHE A 99 30.947 -2.203 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 99 31.350 -2.092 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 99 30.610 -0.069 -3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 99 32.145 -0.086 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 99 31.001 -0.403 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 99 33.709 1.427 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 99 31.996 0.865 -8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 99 34.711 2.690 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 99 33.859 2.411 -7.876 1.00 0.00 H new ATOM 1513 N ASN A 100 33.453 -3.402 -4.816 1.00 0.00 N ATOM 1514 CA ASN A 100 34.775 -4.054 -4.897 1.00 0.00 C ATOM 1515 C ASN A 100 35.224 -4.595 -3.531 1.00 0.00 C ATOM 1516 O ASN A 100 36.397 -4.759 -3.276 1.00 0.00 O ATOM 1517 CB ASN A 100 35.825 -3.083 -5.484 1.00 0.00 C ATOM 1518 CG ASN A 100 35.547 -2.706 -6.936 1.00 0.00 C ATOM 1519 OD1 ASN A 100 34.998 -3.500 -7.716 1.00 0.00 O ATOM 1520 ND2 ASN A 100 35.894 -1.502 -7.306 1.00 0.00 N ATOM 0 H ASN A 100 32.775 -3.780 -5.478 1.00 0.00 H new ATOM 0 HA ASN A 100 34.685 -4.908 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 100 35.852 -2.177 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 100 36.812 -3.541 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 100 35.715 -1.190 -8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 100 36.344 -0.874 -6.640 1.00 0.00 H new ATOM 1527 N VAL A 101 34.269 -4.952 -2.702 1.00 0.00 N ATOM 1528 CA VAL A 101 34.561 -5.393 -1.341 1.00 0.00 C ATOM 1529 C VAL A 101 34.623 -6.886 -1.217 1.00 0.00 C ATOM 1530 O VAL A 101 35.530 -7.415 -0.597 1.00 0.00 O ATOM 1531 CB VAL A 101 33.591 -4.823 -0.284 1.00 0.00 C ATOM 1532 CG1 VAL A 101 33.921 -3.392 0.030 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.145 -4.930 -0.726 1.00 0.00 C ATOM 0 H VAL A 101 33.277 -4.948 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 101 35.550 -4.985 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 101 33.715 -5.425 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 101 33.224 -3.013 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 101 34.938 -3.330 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 101 33.842 -2.793 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.497 -4.517 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.005 -4.372 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 101 31.892 -5.977 -0.891 1.00 0.00 H new ATOM 1543 N ARG A 102 33.625 -7.556 -1.797 1.00 0.00 N ATOM 1544 CA ARG A 102 33.524 -9.023 -1.821 1.00 0.00 C ATOM 1545 C ARG A 102 33.087 -9.575 -0.466 1.00 0.00 C ATOM 1546 O ARG A 102 33.220 -8.897 0.551 1.00 0.00 O ATOM 1547 CB ARG A 102 34.806 -9.653 -2.382 1.00 0.00 C ATOM 1548 CG ARG A 102 35.076 -9.106 -3.761 1.00 0.00 C ATOM 1549 CD ARG A 102 36.336 -9.598 -4.373 1.00 0.00 C ATOM 1550 NE ARG A 102 37.530 -9.302 -3.562 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.798 -9.338 -4.012 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.059 -9.655 -5.277 1.00 0.00 N ATOM 1553 NH2 ARG A 102 39.799 -9.052 -3.198 1.00 0.00 N ATOM 0 H ARG A 102 32.851 -7.091 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 102 32.732 -9.312 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.647 -9.438 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.703 -10.737 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.242 -9.366 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.111 -8.018 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.264 -10.675 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 102 36.454 -9.148 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 102 37.384 -9.050 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.295 -9.874 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 102 40.023 -9.679 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.611 -8.803 -2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 102 40.759 -9.080 -3.541 1.00 0.00 H new ATOM 1566 N PRO A 103 32.476 -10.751 -0.418 1.00 0.00 N ATOM 1567 CA PRO A 103 31.952 -11.272 0.809 1.00 0.00 C ATOM 1568 C PRO A 103 32.905 -12.101 1.609 1.00 0.00 C ATOM 1569 O PRO A 103 33.998 -12.487 1.158 1.00 0.00 O ATOM 1570 CB PRO A 103 30.786 -12.153 0.373 1.00 0.00 C ATOM 1571 CG PRO A 103 30.893 -12.277 -1.124 1.00 0.00 C ATOM 1572 CD PRO A 103 32.206 -11.668 -1.529 1.00 0.00 C ATOM 0 HA PRO A 103 31.694 -10.441 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.838 -13.132 0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.833 -11.708 0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 103 30.844 -13.323 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.064 -11.764 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 103 32.988 -12.420 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.135 -11.144 -2.482 1.00 0.00 H new ATOM 1580 N ASP A 104 32.478 -12.332 2.806 1.00 0.00 N ATOM 1581 CA ASP A 104 33.086 -13.243 3.718 1.00 0.00 C ATOM 1582 C ASP A 104 32.712 -14.650 3.256 1.00 0.00 C ATOM 1583 O ASP A 104 31.690 -14.828 2.566 1.00 0.00 O ATOM 1584 CB ASP A 104 32.516 -12.971 5.116 1.00 0.00 C ATOM 1585 CG ASP A 104 33.031 -13.892 6.189 1.00 0.00 C ATOM 1586 OD1 ASP A 104 32.469 -14.986 6.366 1.00 0.00 O ATOM 1587 OD2 ASP A 104 33.968 -13.519 6.908 1.00 0.00 O ATOM 0 H ASP A 104 31.656 -11.868 3.193 1.00 0.00 H new ATOM 0 HA ASP A 104 34.170 -13.134 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 104 32.747 -11.943 5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 104 31.430 -13.053 5.074 1.00 0.00 H new ATOM 1592 N ALA A 105 33.499 -15.624 3.624 1.00 0.00 N ATOM 1593 CA ALA A 105 33.274 -17.000 3.223 1.00 0.00 C ATOM 1594 C ALA A 105 31.937 -17.536 3.727 1.00 0.00 C ATOM 1595 O ALA A 105 31.301 -18.325 3.053 1.00 0.00 O ATOM 1596 CB ALA A 105 34.418 -17.888 3.682 1.00 0.00 C ATOM 0 H ALA A 105 34.321 -15.492 4.214 1.00 0.00 H new ATOM 0 HA ALA A 105 33.236 -17.015 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.229 -18.915 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.350 -17.540 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.497 -17.847 4.768 1.00 0.00 H new ATOM 1602 N ASN A 106 31.497 -17.088 4.877 1.00 0.00 N ATOM 1603 CA ASN A 106 30.222 -17.549 5.397 1.00 0.00 C ATOM 1604 C ASN A 106 29.115 -16.690 4.854 1.00 0.00 C ATOM 1605 O ASN A 106 27.987 -17.132 4.742 1.00 0.00 O ATOM 1606 CB ASN A 106 30.173 -17.544 6.919 1.00 0.00 C ATOM 1607 CG ASN A 106 31.215 -18.417 7.578 1.00 0.00 C ATOM 1608 OD1 ASN A 106 31.634 -19.434 7.037 1.00 0.00 O ATOM 1609 ND2 ASN A 106 31.633 -18.032 8.761 1.00 0.00 N ATOM 0 H ASN A 106 31.989 -16.416 5.466 1.00 0.00 H new ATOM 0 HA ASN A 106 30.096 -18.582 5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 106 30.298 -16.520 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 106 29.185 -17.873 7.240 1.00 0.00 H new ATOM 0 HD21 ASN A 106 32.329 -18.585 9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 106 31.262 -17.180 9.181 1.00 0.00 H new ATOM 1616 N ALA A 107 29.449 -15.470 4.486 1.00 0.00 N ATOM 1617 CA ALA A 107 28.476 -14.547 3.926 1.00 0.00 C ATOM 1618 C ALA A 107 28.012 -15.021 2.581 1.00 0.00 C ATOM 1619 O ALA A 107 26.834 -14.987 2.294 1.00 0.00 O ATOM 1620 CB ALA A 107 29.032 -13.159 3.814 1.00 0.00 C ATOM 0 H ALA A 107 30.392 -15.090 4.564 1.00 0.00 H new ATOM 0 HA ALA A 107 27.626 -14.517 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.276 -12.497 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.316 -12.800 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.908 -13.169 3.166 1.00 0.00 H new ATOM 1626 N LYS A 108 28.955 -15.463 1.759 1.00 0.00 N ATOM 1627 CA LYS A 108 28.643 -15.996 0.435 1.00 0.00 C ATOM 1628 C LYS A 108 27.654 -17.200 0.550 1.00 0.00 C ATOM 1629 O LYS A 108 26.761 -17.361 -0.281 1.00 0.00 O ATOM 1630 CB LYS A 108 29.942 -16.419 -0.312 1.00 0.00 C ATOM 1631 CG LYS A 108 30.538 -17.759 0.117 1.00 0.00 C ATOM 1632 CD LYS A 108 31.665 -18.204 -0.801 1.00 0.00 C ATOM 1633 CE LYS A 108 32.834 -17.236 -0.795 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.879 -17.631 -1.755 1.00 0.00 N ATOM 0 H LYS A 108 29.949 -15.463 1.986 1.00 0.00 H new ATOM 0 HA LYS A 108 28.161 -15.209 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.729 -16.461 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.694 -15.643 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.913 -17.678 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.755 -18.518 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 108 32.012 -19.190 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 108 31.284 -18.303 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.478 -16.235 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 108 33.261 -17.188 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 34.660 -16.945 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 34.237 -18.576 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 33.479 -17.652 -2.715 1.00 0.00 H new ATOM 1647 N ARG A 109 27.807 -17.992 1.619 1.00 0.00 N ATOM 1648 CA ARG A 109 27.043 -19.109 1.915 1.00 0.00 C ATOM 1649 C ARG A 109 25.666 -18.671 2.368 1.00 0.00 C ATOM 1650 O ARG A 109 24.639 -19.063 1.793 1.00 0.00 O ATOM 1651 CB ARG A 109 27.720 -19.756 3.087 1.00 0.00 C ATOM 1652 CG ARG A 109 29.034 -20.450 2.871 1.00 0.00 C ATOM 1653 CD ARG A 109 29.445 -21.157 4.154 1.00 0.00 C ATOM 1654 NE ARG A 109 30.775 -21.755 4.077 1.00 0.00 N ATOM 1655 CZ ARG A 109 31.418 -22.316 5.105 1.00 0.00 C ATOM 1656 NH1 ARG A 109 30.854 -22.340 6.319 1.00 0.00 N ATOM 1657 NH2 ARG A 109 32.630 -22.840 4.923 1.00 0.00 N ATOM 0 H ARG A 109 28.529 -17.818 2.318 1.00 0.00 H new ATOM 0 HA ARG A 109 26.950 -19.770 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.873 -18.988 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 109 27.027 -20.485 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.949 -21.170 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.797 -19.728 2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 109 29.421 -20.444 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 109 28.716 -21.934 4.383 1.00 0.00 H new ATOM 0 HE ARG A 109 31.247 -21.744 3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 109 29.931 -21.929 6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 109 31.347 -22.769 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 109 33.064 -22.812 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 109 33.123 -23.269 5.706 1.00 0.00 H new ATOM 1670 N ALA A 110 25.682 -17.830 3.402 1.00 0.00 N ATOM 1671 CA ALA A 110 24.503 -17.300 4.049 1.00 0.00 C ATOM 1672 C ALA A 110 23.613 -16.662 3.044 1.00 0.00 C ATOM 1673 O ALA A 110 22.462 -16.989 2.983 1.00 0.00 O ATOM 1674 CB ALA A 110 24.894 -16.302 5.131 1.00 0.00 C ATOM 0 H ALA A 110 26.550 -17.494 3.819 1.00 0.00 H new ATOM 0 HA ALA A 110 23.962 -18.120 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.995 -15.912 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.515 -16.799 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.452 -15.480 4.683 1.00 0.00 H new ATOM 1680 N ALA A 111 24.211 -15.831 2.189 1.00 0.00 N ATOM 1681 CA ALA A 111 23.521 -15.104 1.124 1.00 0.00 C ATOM 1682 C ALA A 111 22.639 -16.005 0.332 1.00 0.00 C ATOM 1683 O ALA A 111 21.447 -15.744 0.141 1.00 0.00 O ATOM 1684 CB ALA A 111 24.537 -14.442 0.203 1.00 0.00 C ATOM 0 H ALA A 111 25.213 -15.641 2.219 1.00 0.00 H new ATOM 0 HA ALA A 111 22.897 -14.342 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 111 24.015 -13.903 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 111 25.147 -13.744 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 111 25.177 -15.205 -0.240 1.00 0.00 H new ATOM 1690 N GLU A 112 23.181 -17.100 -0.052 1.00 0.00 N ATOM 1691 CA GLU A 112 22.484 -17.981 -0.914 1.00 0.00 C ATOM 1692 C GLU A 112 21.439 -18.788 -0.202 1.00 0.00 C ATOM 1693 O GLU A 112 20.355 -19.010 -0.734 1.00 0.00 O ATOM 1694 CB GLU A 112 23.434 -18.830 -1.693 1.00 0.00 C ATOM 1695 CG GLU A 112 24.300 -18.042 -2.644 1.00 0.00 C ATOM 1696 CD GLU A 112 25.039 -18.920 -3.597 1.00 0.00 C ATOM 1697 OE1 GLU A 112 25.979 -19.630 -3.185 1.00 0.00 O ATOM 1698 OE2 GLU A 112 24.677 -18.930 -4.801 1.00 0.00 O ATOM 0 H GLU A 112 24.114 -17.411 0.219 1.00 0.00 H new ATOM 0 HA GLU A 112 21.936 -17.366 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.073 -19.377 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.868 -19.571 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.678 -17.344 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.013 -17.447 -2.074 1.00 0.00 H new ATOM 1705 N SER A 113 21.721 -19.152 1.004 1.00 0.00 N ATOM 1706 CA SER A 113 20.781 -19.880 1.798 1.00 0.00 C ATOM 1707 C SER A 113 19.720 -18.905 2.331 1.00 0.00 C ATOM 1708 O SER A 113 18.747 -19.296 2.958 1.00 0.00 O ATOM 1709 CB SER A 113 21.520 -20.596 2.932 1.00 0.00 C ATOM 1710 OG SER A 113 20.635 -21.350 3.747 1.00 0.00 O ATOM 0 H SER A 113 22.607 -18.955 1.469 1.00 0.00 H new ATOM 0 HA SER A 113 20.276 -20.639 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.278 -21.257 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.042 -19.862 3.546 1.00 0.00 H new ATOM 0 HG SER A 113 19.765 -20.900 3.789 1.00 0.00 H new ATOM 1716 N GLU A 114 19.912 -17.653 2.025 1.00 0.00 N ATOM 1717 CA GLU A 114 19.068 -16.592 2.432 1.00 0.00 C ATOM 1718 C GLU A 114 18.366 -15.971 1.302 1.00 0.00 C ATOM 1719 O GLU A 114 17.776 -14.905 1.460 1.00 0.00 O ATOM 1720 CB GLU A 114 19.843 -15.564 3.182 1.00 0.00 C ATOM 1721 CG GLU A 114 19.838 -15.884 4.647 1.00 0.00 C ATOM 1722 CD GLU A 114 20.683 -15.027 5.578 1.00 0.00 C ATOM 1723 OE1 GLU A 114 21.874 -15.324 5.743 1.00 0.00 O ATOM 1724 OE2 GLU A 114 20.138 -14.126 6.262 1.00 0.00 O ATOM 0 H GLU A 114 20.701 -17.342 1.458 1.00 0.00 H new ATOM 0 HA GLU A 114 18.312 -17.023 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.868 -15.529 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.410 -14.578 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.806 -15.833 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.162 -16.918 4.762 1.00 0.00 H new ATOM 1731 N LYS A 115 18.424 -16.629 0.145 1.00 0.00 N ATOM 1732 CA LYS A 115 17.696 -16.221 -0.999 1.00 0.00 C ATOM 1733 C LYS A 115 18.162 -14.902 -1.593 1.00 0.00 C ATOM 1734 O LYS A 115 17.497 -14.341 -2.485 1.00 0.00 O ATOM 1735 CB LYS A 115 16.257 -16.178 -0.613 1.00 0.00 C ATOM 1736 CG LYS A 115 15.613 -17.530 -0.549 1.00 0.00 C ATOM 1737 CD LYS A 115 14.189 -17.452 -0.054 1.00 0.00 C ATOM 1738 CE LYS A 115 13.546 -18.825 -0.026 1.00 0.00 C ATOM 1739 NZ LYS A 115 14.257 -19.775 0.870 1.00 0.00 N ATOM 0 H LYS A 115 18.990 -17.465 0.000 1.00 0.00 H new ATOM 0 HA LYS A 115 17.867 -16.941 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.164 -15.694 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.715 -15.560 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.629 -17.987 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.192 -18.177 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.171 -17.018 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.612 -16.790 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.511 -18.730 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.525 -19.232 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.664 -20.615 1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.155 -20.061 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.449 -19.314 1.782 1.00 0.00 H new ATOM 1752 N VAL A 116 19.296 -14.424 -1.152 1.00 0.00 N ATOM 1753 CA VAL A 116 19.789 -13.165 -1.633 1.00 0.00 C ATOM 1754 C VAL A 116 21.138 -13.289 -2.313 1.00 0.00 C ATOM 1755 O VAL A 116 22.117 -13.700 -1.722 1.00 0.00 O ATOM 1756 CB VAL A 116 19.786 -12.075 -0.534 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.363 -11.693 -0.214 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.468 -12.570 0.727 1.00 0.00 C ATOM 0 H VAL A 116 19.891 -14.886 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 116 19.088 -12.837 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 116 20.334 -11.209 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.358 -10.925 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.879 -11.307 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.822 -12.570 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.451 -11.784 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.942 -13.447 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.501 -12.835 0.502 1.00 0.00 H new ATOM 1768 N ASP A 117 21.177 -12.943 -3.560 1.00 0.00 N ATOM 1769 CA ASP A 117 22.403 -13.031 -4.316 1.00 0.00 C ATOM 1770 C ASP A 117 23.067 -11.699 -4.261 1.00 0.00 C ATOM 1771 O ASP A 117 22.462 -10.674 -4.599 1.00 0.00 O ATOM 1772 CB ASP A 117 22.150 -13.413 -5.778 1.00 0.00 C ATOM 1773 CG ASP A 117 21.427 -14.726 -5.954 1.00 0.00 C ATOM 1774 OD1 ASP A 117 22.089 -15.794 -6.007 1.00 0.00 O ATOM 1775 OD2 ASP A 117 20.180 -14.717 -6.065 1.00 0.00 O ATOM 0 H ASP A 117 20.375 -12.595 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 117 23.030 -13.810 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.568 -12.623 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 117 23.106 -13.463 -6.300 1.00 0.00 H new ATOM 1780 N ILE A 118 24.283 -11.684 -3.828 1.00 0.00 N ATOM 1781 CA ILE A 118 24.990 -10.461 -3.667 1.00 0.00 C ATOM 1782 C ILE A 118 25.817 -10.144 -4.897 1.00 0.00 C ATOM 1783 O ILE A 118 26.334 -11.045 -5.572 1.00 0.00 O ATOM 1784 CB ILE A 118 25.837 -10.498 -2.385 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.727 -11.754 -2.363 1.00 0.00 C ATOM 1786 CG2 ILE A 118 24.916 -10.482 -1.177 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.475 -11.962 -1.075 1.00 0.00 C ATOM 0 H ILE A 118 24.813 -12.518 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 118 24.270 -9.650 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 118 26.486 -9.623 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.105 -12.629 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.445 -11.690 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 118 25.512 -10.508 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 118 24.313 -9.574 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.261 -11.353 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.077 -12.868 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.126 -11.108 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 118 26.765 -12.061 -0.254 1.00 0.00 H new ATOM 1799 N ARG A 119 25.911 -8.886 -5.221 1.00 0.00 N ATOM 1800 CA ARG A 119 26.611 -8.466 -6.406 1.00 0.00 C ATOM 1801 C ARG A 119 27.639 -7.423 -6.051 1.00 0.00 C ATOM 1802 O ARG A 119 27.372 -6.498 -5.272 1.00 0.00 O ATOM 1803 CB ARG A 119 25.617 -8.016 -7.490 1.00 0.00 C ATOM 1804 CG ARG A 119 24.660 -6.912 -7.070 1.00 0.00 C ATOM 1805 CD ARG A 119 23.433 -6.883 -7.972 1.00 0.00 C ATOM 1806 NE ARG A 119 22.674 -8.146 -7.864 1.00 0.00 N ATOM 1807 CZ ARG A 119 21.403 -8.344 -8.249 1.00 0.00 C ATOM 1808 NH1 ARG A 119 20.705 -7.375 -8.846 1.00 0.00 N ATOM 1809 NH2 ARG A 119 20.846 -9.531 -8.054 1.00 0.00 N ATOM 0 H ARG A 119 25.508 -8.124 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 119 27.157 -9.306 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 119 26.180 -7.676 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.033 -8.880 -7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 119 24.352 -7.066 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 119 25.169 -5.949 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 119 22.793 -6.044 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 119 23.740 -6.725 -9.006 1.00 0.00 H new ATOM 0 HE ARG A 119 23.162 -8.944 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 119 21.136 -6.467 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 119 19.740 -7.543 -9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 119 21.382 -10.280 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 119 19.881 -9.695 -8.342 1.00 0.00 H new ATOM 1822 N LEU A 120 28.822 -7.610 -6.556 1.00 0.00 N ATOM 1823 CA LEU A 120 29.945 -6.799 -6.210 1.00 0.00 C ATOM 1824 C LEU A 120 31.031 -6.915 -7.240 1.00 0.00 C ATOM 1825 O LEU A 120 31.018 -7.841 -8.048 1.00 0.00 O ATOM 1826 CB LEU A 120 30.509 -7.141 -4.771 1.00 0.00 C ATOM 1827 CG LEU A 120 30.820 -8.629 -4.349 1.00 0.00 C ATOM 1828 CD1 LEU A 120 29.563 -9.462 -4.160 1.00 0.00 C ATOM 1829 CD2 LEU A 120 31.769 -9.332 -5.301 1.00 0.00 C ATOM 0 H LEU A 120 29.035 -8.344 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 120 29.594 -5.767 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.433 -6.575 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 120 29.795 -6.747 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 120 31.319 -8.543 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 120 29.839 -10.476 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 120 28.945 -9.017 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.002 -9.491 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 120 31.943 -10.351 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.331 -9.357 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 120 32.716 -8.794 -5.334 1.00 0.00 H new