data_UNNAMED # loop_ _atom_site.group_PDB _atom_site.id _atom_site.auth_atom_id _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.auth_comp_id _atom_site.label_comp_id _atom_site.pdbx_auth_comp_id _atom_site.auth_asym_id _atom_site.label_asym_id _atom_site.auth_seq_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num _atom_site.label_entity_id _atom_site.type_symbol _atom_site.pdbx_formal_charge HETATM 1 O O . HOH HOH HOH S . 1 1 . 54.554 -22.313 -40.650 1.00 30.90 1 . O ? HETATM 2 O O . HOH HOH HOH S . 2 2 . 44.893 -24.823 -38.817 1.00 29.84 1 . O ? HETATM 3 O O . HOH HOH HOH S . 3 3 . 43.773 -18.613 -38.619 1.00 18.06 1 . O ? HETATM 4 O O . HOH HOH HOH S . 4 4 . 41.617 -24.421 -36.092 1.00 18.06 1 . O ? HETATM 5 O O . HOH HOH HOH S . 5 5 . 42.151 -27.276 -37.177 1.00 18.10 1 . O ? HETATM 6 O O . HOH HOH HOH S . 6 6 . 34.169 -24.846 -37.126 1.00 25.32 1 . O ? HETATM 7 O O . HOH HOH HOH S . 7 7 . 32.783 -27.644 -30.609 1.00 31.80 1 . O ? HETATM 8 O O . HOH HOH HOH S . 8 8 . 33.173 -25.844 -29.399 1.00 26.37 1 . O ? HETATM 9 O O . HOH HOH HOH S . 9 9 . 39.839 -23.724 -16.665 1.00 26.28 1 . O ? HETATM 10 O O . HOH HOH HOH S . 10 10 . 38.754 -21.039 -17.878 1.00 23.45 1 . O ? HETATM 11 O O . HOH HOH HOH S . 11 11 . 36.144 -22.140 -18.110 1.00 25.57 1 . O ? HETATM 12 O O . HOH HOH HOH S . 12 12 . 37.361 -24.751 -15.937 1.00 25.24 1 . O ? HETATM 13 O O . HOH HOH HOH S . 13 13 . 41.300 -12.189 -24.694 1.00 19.69 1 . O ? HETATM 14 O O . HOH HOH HOH S . 14 14 . 51.064 -9.006 -29.519 1.00 26.23 1 . O ? HETATM 15 O O . HOH HOH HOH S . 15 15 . 46.950 -11.526 -30.752 1.00 25.89 1 . O ? HETATM 16 O O . HOH HOH HOH S . 16 16 . 45.334 -11.319 -32.670 1.00 23.83 1 . O ? HETATM 17 O O . HOH HOH HOH S . 17 17 . 40.632 -12.796 -36.674 1.00 23.51 1 . O ? HETATM 18 O O . HOH HOH HOH S . 18 18 . 33.575 -24.716 -13.560 1.00 18.55 1 . O ? HETATM 19 O O . HOH HOH HOH S . 19 19 . 35.750 -18.681 -15.765 1.00 18.06 1 . O ? HETATM 20 O O . HOH HOH HOH S . 20 20 . 34.299 -20.379 -17.103 1.00 26.05 1 . O ? HETATM 21 O O . HOH HOH HOH S . 21 21 . 32.375 -12.722 -13.555 1.00 23.76 1 . O ? HETATM 22 O O . HOH HOH HOH S . 22 22 . 27.785 -20.113 -14.476 1.00 24.06 1 . O ? HETATM 23 O O . HOH HOH HOH S . 23 23 . 35.599 -15.054 -26.468 1.00 24.71 1 . O ? HETATM 24 O O . HOH HOH HOH S . 24 24 . 37.500 -13.404 -27.406 1.00 32.51 1 . O ? HETATM 25 O O . HOH HOH HOH S . 25 25 . 32.783 -25.520 -26.947 1.00 29.41 1 . O ? HETATM 26 O O . HOH HOH HOH S . 26 26 . 40.709 -29.929 -28.337 1.00 26.29 1 . O ? HETATM 27 O O . HOH HOH HOH S . 27 27 . 37.761 -23.675 6.208 1.00 31.95 1 . O ? HETATM 28 O O . HOH HOH HOH S . 28 28 . 43.708 -26.090 -11.999 1.00 25.10 1 . O ? HETATM 29 O O . HOH HOH HOH S . 29 29 . 41.490 -29.041 -6.032 1.00 32.80 1 . O ? ATOM 30 N N . ASP ASP ASP A A 1 1 . 35.919 -28.793 -21.209 1.00 22.66 1 . N ? ATOM 31 CA CA . ASP ASP ASP A A 1 1 . 36.577 -29.567 -22.256 1.00 24.25 1 . C ? ATOM 32 C C . ASP ASP ASP A A 1 1 . 38.028 -29.107 -22.439 1.00 20.86 1 . C ? ATOM 33 O O . ASP ASP ASP A A 1 1 . 38.397 -28.029 -21.972 1.00 18.64 1 . O ? ATOM 34 CB CB . ASP ASP ASP A A 1 1 . 35.832 -29.427 -23.583 1.00 25.14 1 . C ? ATOM 35 CG CG . ASP ASP ASP A A 1 1 . 34.379 -29.832 -23.489 1.00 32.34 1 . C ? ATOM 36 OD2 OD2 . ASP ASP ASP A A 1 1 . 33.525 -29.120 -24.075 1.00 28.87 1 . O ? ATOM 37 OD1 OD1 . ASP ASP ASP A A 1 1 . 34.092 -30.852 -22.825 1.00 36.95 1 . O ? ATOM 38 N N . THR THR THR A A 2 2 . 38.830 -29.925 -23.120 1.00 19.23 1 . N ? ATOM 39 CA CA . THR THR THR A A 2 2 . 40.167 -29.530 -23.559 1.00 18.97 1 . C ? ATOM 40 C C . THR THR THR A A 2 2 . 40.076 -28.908 -24.945 1.00 19.84 1 . C ? ATOM 41 O O . THR THR THR A A 2 2 . 39.649 -29.569 -25.896 1.00 18.14 1 . O ? ATOM 42 CB CB . THR THR THR A A 2 2 . 41.128 -30.718 -23.619 1.00 21.69 1 . C ? ATOM 43 OG1 OG1 . THR THR THR A A 2 2 . 41.152 -31.405 -22.364 1.00 25.44 1 . O ? ATOM 44 CG2 CG2 . THR THR THR A A 2 2 . 42.553 -30.228 -23.980 1.00 19.66 1 . C ? ATOM 45 N N . TYR TYR TYR A A 3 3 . 40.505 -27.658 -25.067 1.00 15.93 1 . N ? ATOM 46 CA CA . TYR TYR TYR A A 3 3 . 40.592 -26.982 -26.350 1.00 14.41 1 . C ? ATOM 47 C C . TYR TYR TYR A A 3 3 . 42.059 -26.812 -26.717 1.00 15.11 1 . C ? ATOM 48 O O . TYR TYR TYR A A 3 3 . 42.924 -26.738 -25.841 1.00 12.17 1 . O ? ATOM 49 CB CB . TYR TYR TYR A A 3 3 . 39.906 -25.617 -26.310 1.00 13.93 1 . C ? ATOM 50 CG CG . TYR TYR TYR A A 3 3 . 38.433 -25.691 -25.977 1.00 16.62 1 . C ? ATOM 51 CD1 CD1 . TYR TYR TYR A A 3 3 . 37.996 -25.619 -24.664 1.00 18.50 1 . C ? ATOM 52 CD2 CD2 . TYR TYR TYR A A 3 3 . 37.484 -25.853 -26.979 1.00 17.81 1 . C ? ATOM 53 CE1 CE1 . TYR TYR TYR A A 3 3 . 36.635 -25.700 -24.352 1.00 22.05 1 . C ? ATOM 54 CE2 CE2 . TYR TYR TYR A A 3 3 . 36.131 -25.928 -26.682 1.00 16.89 1 . C ? ATOM 55 CZ CZ . TYR TYR TYR A A 3 3 . 35.710 -25.854 -25.372 1.00 19.74 1 . C ? ATOM 56 OH OH . TYR TYR TYR A A 3 3 . 34.352 -25.928 -25.093 1.00 22.98 1 . O ? ATOM 57 N N . LYS LYS LYS A A 4 4 . 42.328 -26.741 -28.019 1.00 13.43 1 . N ? ATOM 58 CA CA . LYS LYS LYS A A 4 4 . 43.687 -26.637 -28.536 1.00 13.30 1 . C ? ATOM 59 C C . LYS LYS LYS A A 4 4 . 43.859 -25.349 -29.328 1.00 12.42 1 . C ? ATOM 60 O O . LYS LYS LYS A A 4 4 . 42.909 -24.838 -29.932 1.00 11.57 1 . O ? ATOM 61 CB CB . LYS LYS LYS A A 4 4 . 44.044 -27.833 -29.425 1.00 14.23 1 . C ? ATOM 62 CG CG . LYS LYS LYS A A 4 4 . 44.128 -29.172 -28.666 1.00 21.66 1 . C ? ATOM 63 CD CD . LYS LYS LYS A A 4 4 . 44.450 -30.338 -29.606 1.00 27.51 1 . C ? ATOM 64 CE CE . LYS LYS LYS A A 4 4 . 44.322 -31.711 -28.921 1.00 26.58 1 . C ? ATOM 65 NZ NZ . LYS LYS LYS A A 4 4 . 42.916 -32.206 -28.788 1.00 25.87 1 . N ? ATOM 66 N N . LEU LEU LEU A A 5 5 . 45.089 -24.829 -29.316 1.00 11.41 1 . N ? ATOM 67 CA CA . LEU LEU LEU A A 5 5 . 45.454 -23.632 -30.061 1.00 9.26 1 . C ? ATOM 68 C C . LEU LEU LEU A A 5 5 . 46.637 -23.952 -30.966 1.00 10.33 1 . C ? ATOM 69 O O . LEU LEU LEU A A 5 5 . 47.670 -24.430 -30.489 1.00 9.96 1 . O ? ATOM 70 CB CB . LEU LEU LEU A A 5 5 . 45.806 -22.484 -29.119 1.00 9.93 1 . C ? ATOM 71 CG CG . LEU LEU LEU A A 5 5 . 46.288 -21.240 -29.866 1.00 11.06 1 . C ? ATOM 72 CD1 CD1 . LEU LEU LEU A A 5 5 . 45.185 -20.732 -30.832 1.00 11.68 1 . C ? ATOM 73 CD2 CD2 . LEU LEU LEU A A 5 5 . 46.745 -20.143 -28.914 1.00 10.09 1 . C ? ATOM 74 N N . ILE ILE ILE A A 6 6 . 46.477 -23.723 -32.267 1.00 10.80 1 . N ? ATOM 75 CA CA . ILE ILE ILE A A 6 6 . 47.584 -23.765 -33.225 1.00 11.70 1 . C ? ATOM 76 C C . ILE ILE ILE A A 6 6 . 47.997 -22.324 -33.488 1.00 9.24 1 . C ? ATOM 77 O O . ILE ILE ILE A A 6 6 . 47.162 -21.500 -33.870 1.00 9.22 1 . O ? ATOM 78 CB CB . ILE ILE ILE A A 6 6 . 47.183 -24.459 -34.541 1.00 13.92 1 . C ? ATOM 79 CG1 CG1 . ILE ILE ILE A A 6 6 . 46.670 -25.882 -34.295 1.00 13.14 1 . C ? ATOM 80 CG2 CG2 . ILE ILE ILE A A 6 6 . 48.357 -24.434 -35.543 1.00 12.14 1 . C ? ATOM 81 CD1 CD1 . ILE ILE ILE A A 6 6 . 47.635 -26.761 -33.503 1.00 18.78 1 . C ? ATOM 82 N N . LEU LEU LEU A A 7 7 . 49.275 -22.011 -33.307 1.00 9.56 1 . N ? ATOM 83 CA CA . LEU LEU LEU A A 7 7 . 49.796 -20.674 -33.564 1.00 10.95 1 . C ? ATOM 84 C C . LEU LEU LEU A A 7 7 . 50.742 -20.761 -34.749 1.00 14.97 1 . C ? ATOM 85 O O . LEU LEU LEU A A 7 7 . 51.771 -21.440 -34.673 1.00 10.86 1 . O ? ATOM 86 CB CB . LEU LEU LEU A A 7 7 . 50.530 -20.100 -32.353 1.00 12.22 1 . C ? ATOM 87 CG CG . LEU LEU LEU A A 7 7 . 49.815 -19.966 -31.022 1.00 10.76 1 . C ? ATOM 88 CD1 CD1 . LEU LEU LEU A A 7 7 . 50.012 -21.232 -30.254 1.00 9.38 1 . C ? ATOM 89 CD2 CD2 . LEU LEU LEU A A 7 7 . 50.366 -18.778 -30.250 1.00 11.09 1 . C ? ATOM 90 N N . ASN ASN ASN A A 8 8 . 50.385 -20.097 -35.841 1.00 14.91 1 . N ? ATOM 91 CA CA . ASN ASN ASN A A 8 8 . 51.164 -20.132 -37.072 1.00 14.99 1 . C ? ATOM 92 C C . ASN ASN ASN A A 8 8 . 51.749 -18.740 -37.286 1.00 17.26 1 . C ? ATOM 93 O O . ASN ASN ASN A A 8 8 . 51.013 -17.790 -37.581 1.00 19.48 1 . O ? ATOM 94 CB CB . ASN ASN ASN A A 8 8 . 50.295 -20.578 -38.252 1.00 16.51 1 . C ? ATOM 95 CG CG . ASN ASN ASN A A 8 8 . 51.120 -20.938 -39.471 1.00 22.67 1 . C ? ATOM 96 OD1 OD1 . ASN ASN ASN A A 8 8 . 52.354 -20.879 -39.435 1.00 26.14 1 . O ? ATOM 97 ND2 ND2 . ASN ASN ASN A A 8 8 . 50.453 -21.311 -40.554 1.00 20.76 1 . N ? ATOM 98 N N . GLY GLY GLY A A 9 9 . 53.063 -18.614 -37.106 1.00 16.99 1 . N ? ATOM 99 CA CA . GLY GLY GLY A A 9 9 . 53.753 -17.360 -37.338 1.00 19.92 1 . C ? ATOM 100 C C . GLY GLY GLY A A 9 9 . 54.701 -17.440 -38.524 1.00 24.27 1 . C ? ATOM 101 O O . GLY GLY GLY A A 9 9 . 55.907 -17.245 -38.395 1.00 29.44 1 . O ? ATOM 102 N N . DVA DVA DVA A A 10 10 . 54.150 -17.764 -39.683 1.00 20.83 1 . N ? ATOM 103 CA CA . DVA DVA DVA A A 10 10 . 54.924 -17.875 -40.909 1.00 27.10 1 . C ? ATOM 104 CB CB . DVA DVA DVA A A 10 10 . 53.979 -17.788 -42.123 1.00 24.82 1 . C ? ATOM 105 CG2 CG2 . DVA DVA DVA A A 10 10 . 52.762 -18.649 -41.865 1.00 24.41 1 . C ? ATOM 106 CG1 CG1 . DVA DVA DVA A A 10 10 . 54.694 -18.165 -43.413 1.00 27.33 1 . C ? ATOM 107 C C . DVA DVA DVA A A 10 10 . 55.804 -19.136 -40.931 1.00 22.72 1 . C ? ATOM 108 O O . DVA DVA DVA A A 10 10 . 55.334 -20.255 -41.150 1.00 23.78 1 . O ? ATOM 109 N N . VAL VAL VAL A A 11 11 . 57.096 -18.947 -40.700 1.00 25.69 1 . N ? ATOM 110 CA CA . VAL VAL VAL A A 11 11 . 58.018 -20.065 -40.692 1.00 22.21 1 . C ? ATOM 111 C C . VAL VAL VAL A A 11 11 . 58.062 -20.687 -39.301 1.00 23.58 1 . C ? ATOM 112 O O . VAL VAL VAL A A 11 11 . 58.601 -21.775 -39.124 1.00 26.81 1 . O ? ATOM 113 CB CB . VAL VAL VAL A A 11 11 . 59.431 -19.632 -41.151 1.00 23.01 1 . C ? ATOM 114 CG1 CG1 . VAL VAL VAL A A 11 11 . 59.396 -19.100 -42.575 1.00 27.72 1 . C ? ATOM 115 CG2 CG2 . VAL VAL VAL A A 11 11 . 60.013 -18.585 -40.210 1.00 24.12 1 . C ? ATOM 116 N N . LEU LEU LEU A A 12 12 . 57.500 -19.991 -38.316 1.00 22.67 1 . N ? ATOM 117 CA CA . LEU LEU LEU A A 12 12 . 57.494 -20.439 -36.931 1.00 17.60 1 . C ? ATOM 118 C C . LEU LEU LEU A A 12 12 . 56.102 -20.910 -36.531 1.00 18.15 1 . C ? ATOM 119 O O . LEU LEU LEU A A 12 12 . 55.091 -20.326 -36.931 1.00 20.31 1 . O ? ATOM 120 CB CB . LEU LEU LEU A A 12 12 . 57.933 -19.325 -35.983 1.00 17.90 1 . C ? ATOM 121 CG CG . LEU LEU LEU A A 12 12 . 59.303 -18.686 -36.190 1.00 20.85 1 . C ? ATOM 122 CD1 CD1 . LEU LEU LEU A A 12 12 . 59.686 -17.922 -34.957 1.00 17.17 1 . C ? ATOM 123 CD2 CD2 . LEU LEU LEU A A 12 12 . 60.330 -19.753 -36.492 1.00 20.34 1 . C ? ATOM 124 N N . LYS LYS LYS A A 13 13 . 56.056 -21.964 -35.725 1.00 15.06 1 . N ? ATOM 125 CA CA . LYS LYS LYS A A 13 13 . 54.790 -22.553 -35.324 1.00 14.81 1 . C ? ATOM 126 C C . LYS LYS LYS A A 13 13 . 54.840 -22.920 -33.848 1.00 15.13 1 . C ? ATOM 127 O O . LYS LYS LYS A A 13 13 . 55.912 -23.094 -33.269 1.00 16.36 1 . O ? ATOM 128 CB CB . LYS LYS LYS A A 13 13 . 54.462 -23.782 -36.189 1.00 15.91 1 . C ? ATOM 129 N N . GLY GLY GLY A A 14 14 . 53.661 -23.027 -33.237 1.00 16.87 1 . N ? ATOM 130 CA CA . GLY GLY GLY A A 14 14 . 53.564 -23.375 -31.834 1.00 12.37 1 . C ? ATOM 131 C C . GLY GLY GLY A A 14 14 . 52.187 -23.934 -31.561 1.00 12.10 1 . C ? ATOM 132 O O . GLY GLY GLY A A 14 14 . 51.312 -23.935 -32.427 1.00 12.77 1 . O ? ATOM 133 N N . GLU GLU GLU A A 15 15 . 51.995 -24.423 -30.343 1.00 14.14 1 . N ? ATOM 134 CA CA . GLU GLU GLU A A 15 15 . 50.679 -24.940 -29.995 1.00 14.19 1 . C ? ATOM 135 C C . GLU GLU GLU A A 15 15 . 50.567 -24.992 -28.484 1.00 16.75 1 . C ? ATOM 136 O O . GLU GLU GLU A A 15 15 . 51.572 -24.968 -27.767 1.00 16.31 1 . O ? ATOM 137 CB CB . GLU GLU GLU A A 15 15 . 50.430 -26.319 -30.609 1.00 16.78 1 . C ? ATOM 138 CG CG . GLU GLU GLU A A 15 15 . 51.327 -27.397 -30.078 1.00 22.19 1 . C ? ATOM 139 CD CD . GLU GLU GLU A A 15 15 . 51.341 -28.610 -30.996 1.00 33.23 1 . C ? ATOM 140 OE1 OE1 . GLU GLU GLU A A 15 15 . 50.362 -28.792 -31.752 1.00 32.46 1 . O ? ATOM 141 OE2 OE2 . GLU GLU GLU A A 15 15 . 52.341 -29.362 -30.985 1.00 40.39 1 . O ? ATOM 142 N N . THR THR THR A A 16 16 . 49.329 -25.052 -28.010 1.00 12.82 1 . N ? ATOM 143 CA CA . THR THR THR A A 16 16 . 49.064 -25.106 -26.579 1.00 13.99 1 . C ? ATOM 144 C C . THR THR THR A A 16 16 . 47.629 -25.582 -26.382 1.00 11.23 1 . C ? ATOM 145 O O . THR THR THR A A 16 16 . 46.887 -25.773 -27.346 1.00 11.74 1 . O ? ATOM 146 CB CB . THR THR THR A A 16 16 . 49.326 -23.746 -25.923 1.00 16.53 1 . C ? ATOM 147 OG1 OG1 . THR THR THR A A 16 16 . 49.327 -23.893 -24.498 1.00 17.89 1 . O ? ATOM 148 CG2 CG2 . THR THR THR A A 16 16 . 48.276 -22.728 -26.328 1.00 12.63 1 . C ? ATOM 149 N N . THR THR THR A A 17 17 . 47.256 -25.800 -25.121 1.00 12.80 1 . N ? ATOM 150 CA CA . THR THR THR A A 17 17 . 45.911 -26.232 -24.765 1.00 14.93 1 . C ? ATOM 151 C C . THR THR THR A A 17 17 . 45.429 -25.452 -23.554 1.00 17.28 1 . C ? ATOM 152 O O . THR THR THR A A 17 17 . 46.212 -24.826 -22.835 1.00 18.31 1 . O ? ATOM 153 CB CB . THR THR THR A A 17 17 . 45.834 -27.730 -24.452 1.00 18.37 1 . C ? ATOM 154 OG1 OG1 . THR THR THR A A 17 17 . 46.687 -28.029 -23.346 1.00 21.74 1 . O ? ATOM 155 CG2 CG2 . THR THR THR A A 17 17 . 46.245 -28.573 -25.656 1.00 17.83 1 . C ? ATOM 156 N N . THR THR THR A A 18 18 . 44.118 -25.504 -23.325 1.00 18.23 1 . N ? ATOM 157 CA CA . THR THR THR A A 18 18 . 43.539 -24.984 -22.099 1.00 19.28 1 . C ? ATOM 158 C C . THR THR THR A A 18 18 . 42.298 -25.796 -21.779 1.00 18.23 1 . C ? ATOM 159 O O . THR THR THR A A 18 18 . 41.692 -26.394 -22.669 1.00 18.37 1 . O ? ATOM 160 CB CB . THR THR THR A A 18 18 . 43.186 -23.494 -22.203 1.00 19.49 1 . C ? ATOM 161 OG1 OG1 . THR THR THR A A 18 18 . 43.009 -22.953 -20.883 1.00 20.90 1 . O ? ATOM 162 CG2 CG2 . THR THR THR A A 18 18 . 41.902 -23.288 -23.020 1.00 15.13 1 . C ? ATOM 163 N N . GLU GLU GLU A A 19 19 . 41.957 -25.842 -20.494 1.00 18.09 1 . N ? ATOM 164 CA CA . GLU GLU GLU A A 19 19 . 40.667 -26.357 -20.045 1.00 20.79 1 . C ? ATOM 165 C C . GLU GLU GLU A A 19 19 . 39.691 -25.202 -19.911 1.00 20.32 1 . C ? ATOM 166 O O . GLU GLU GLU A A 19 19 . 40.047 -24.134 -19.401 1.00 19.54 1 . O ? ATOM 167 CB CB . GLU GLU GLU A A 19 19 . 40.789 -27.068 -18.694 1.00 26.17 1 . C ? ATOM 168 CG CG . GLU GLU GLU A A 19 19 . 41.688 -28.285 -18.684 1.00 24.41 1 . C ? ATOM 169 CD CD . GLU GLU GLU A A 19 19 . 41.265 -29.333 -19.697 1.00 28.84 1 . C ? ATOM 170 OE1 OE1 . GLU GLU GLU A A 19 19 . 42.021 -29.572 -20.668 1.00 25.63 1 . O ? ATOM 171 OE2 OE2 . GLU GLU GLU A A 19 19 . 40.170 -29.912 -19.525 1.00 28.13 1 . O ? ATOM 172 N N . ALA ALA ALA A A 20 20 . 38.457 -25.416 -20.372 1.00 21.40 1 . N ? ATOM 173 CA CA . ALA ALA ALA A A 20 20 . 37.441 -24.377 -20.274 1.00 22.13 1 . C ? ATOM 174 C C . ALA ALA ALA A A 20 20 . 36.062 -25.007 -20.407 1.00 20.47 1 . C ? ATOM 175 O O . ALA ALA ALA A A 20 20 . 35.912 -26.112 -20.940 1.00 20.85 1 . O ? ATOM 176 CB CB . ALA ALA ALA A A 20 20 . 37.649 -23.284 -21.329 1.00 21.54 1 . C ? ATOM 177 N N . VAL VAL VAL A A 21 21 . 35.052 -24.275 -19.925 1.00 24.16 1 . N ? ATOM 178 CA CA . VAL VAL VAL A A 21 21 . 33.676 -24.777 -19.923 1.00 21.74 1 . C ? ATOM 179 C C . VAL VAL VAL A A 21 21 . 33.039 -24.689 -21.300 1.00 24.31 1 . C ? ATOM 180 O O . VAL VAL VAL A A 21 21 . 32.163 -25.497 -21.628 1.00 23.07 1 . O ? ATOM 181 CB CB . VAL VAL VAL A A 21 21 . 32.806 -24.024 -18.901 1.00 25.53 1 . C ? ATOM 182 CG1 CG1 . VAL VAL VAL A A 21 21 . 33.199 -24.385 -17.483 1.00 28.36 1 . C ? ATOM 183 CG2 CG2 . VAL VAL VAL A A 21 21 . 32.907 -22.527 -19.127 1.00 24.57 1 . C ? ATOM 184 N N . ASP ASP ASP A A 22 22 . 33.418 -23.701 -22.107 1.00 24.62 1 . N ? ATOM 185 CA CA . ASP ASP ASP A A 22 22 . 32.896 -23.583 -23.460 1.00 25.63 1 . C ? ATOM 186 C C . ASP ASP ASP A A 22 22 . 33.963 -22.947 -24.340 1.00 23.61 1 . C ? ATOM 187 O O . ASP ASP ASP A A 22 22 . 35.037 -22.569 -23.868 1.00 21.28 1 . O ? ATOM 188 CB CB . ASP ASP ASP A A 22 22 . 31.597 -22.782 -23.483 1.00 25.88 1 . C ? ATOM 189 CG CG . ASP ASP ASP A A 22 22 . 31.744 -21.426 -22.856 1.00 26.96 1 . C ? ATOM 190 OD1 OD1 . ASP ASP ASP A A 22 22 . 32.783 -20.760 -23.082 1.00 25.66 1 . O ? ATOM 191 OD2 OD2 . ASP ASP ASP A A 22 22 . 30.807 -21.013 -22.140 1.00 27.91 1 . O ? ATOM 192 N N . ALA ALA ALA A A 23 23 . 33.637 -22.793 -25.624 1.00 21.91 1 . N ? ATOM 193 CA CA . ALA ALA ALA A A 23 23 . 34.632 -22.373 -26.606 1.00 19.29 1 . C ? ATOM 194 C C . ALA ALA ALA A A 23 23 . 34.942 -20.884 -26.489 1.00 23.73 1 . C ? ATOM 195 O O . ALA ALA ALA A A 23 23 . 36.096 -20.466 -26.663 1.00 15.40 1 . O ? ATOM 196 CB CB . ALA ALA ALA A A 23 23 . 34.148 -22.716 -28.014 1.00 18.07 1 . C ? ATOM 197 N N . ALA ALA ALA A A 24 24 . 33.925 -20.064 -26.213 1.00 21.84 1 . N ? ATOM 198 CA CA . ALA ALA ALA A A 24 24 . 34.163 -18.629 -26.066 1.00 19.29 1 . C ? ATOM 199 C C . ALA ALA ALA A A 24 24 . 35.158 -18.344 -24.949 1.00 20.93 1 . C ? ATOM 200 O O . ALA ALA ALA A A 24 24 . 36.020 -17.466 -25.084 1.00 19.63 1 . O ? ATOM 201 CB CB . ALA ALA ALA A A 24 24 . 32.847 -17.900 -25.805 1.00 21.74 1 . C ? ATOM 202 N N . THR THR THR A A 25 25 . 35.066 -19.079 -23.839 1.00 18.66 1 . N ? ATOM 203 CA CA . THR THR THR A A 25 25 . 36.009 -18.848 -22.748 1.00 17.69 1 . C ? ATOM 204 C C . THR THR THR A A 25 25 . 37.415 -19.293 -23.129 1.00 16.21 1 . C ? ATOM 205 O O . THR THR THR A A 25 25 . 38.382 -18.573 -22.866 1.00 19.00 1 . O ? ATOM 206 CB CB . THR THR THR A A 25 25 . 35.532 -19.553 -21.481 1.00 21.80 1 . C ? ATOM 207 OG1 OG1 . THR THR THR A A 25 25 . 34.216 -19.075 -21.142 1.00 24.21 1 . O ? ATOM 208 CG2 CG2 . THR THR THR A A 25 25 . 36.515 -19.322 -20.311 1.00 21.54 1 . C ? ATOM 209 N N . ALA ALA ALA A A 26 26 . 37.551 -20.461 -23.770 1.00 15.99 1 . N ? ATOM 210 CA CA . ALA ALA ALA A A 26 26 . 38.867 -20.899 -24.233 1.00 16.32 1 . C ? ATOM 211 C C . ALA ALA ALA A A 26 26 . 39.490 -19.885 -25.179 1.00 15.45 1 . C ? ATOM 212 O O . ALA ALA ALA A A 26 26 . 40.703 -19.663 -25.146 1.00 16.20 1 . O ? ATOM 213 CB CB . ALA ALA ALA A A 26 26 . 38.776 -22.258 -24.926 1.00 16.03 1 . C ? ATOM 214 N N . GLU GLU GLU A A 27 27 . 38.684 -19.269 -26.048 1.00 15.49 1 . N ? ATOM 215 CA CA . GLU GLU GLU A A 27 27 . 39.241 -18.315 -26.998 1.00 15.93 1 . C ? ATOM 216 C C . GLU GLU GLU A A 27 27 . 39.731 -17.051 -26.303 1.00 18.00 1 . C ? ATOM 217 O O . GLU GLU GLU A A 27 27 . 40.745 -16.474 -26.706 1.00 17.02 1 . O ? ATOM 218 CB CB . GLU GLU GLU A A 27 27 . 38.211 -17.976 -28.075 1.00 18.05 1 . C ? ATOM 219 CG CG . GLU GLU GLU A A 27 27 . 38.731 -16.989 -29.094 1.00 18.60 1 . C ? ATOM 220 CD CD . GLU GLU GLU A A 27 27 . 37.806 -16.795 -30.271 1.00 22.65 1 . C ? ATOM 221 OE1 OE1 . GLU GLU GLU A A 27 27 . 36.693 -17.366 -30.282 1.00 28.36 1 . O ? ATOM 222 OE2 OE2 . GLU GLU GLU A A 27 27 . 38.218 -16.081 -31.199 1.00 22.23 1 . O ? ATOM 223 N N . LYS LYS LYS A A 28 28 . 39.021 -16.600 -25.268 1.00 17.86 1 . N ? ATOM 224 CA CA . LYS LYS LYS A A 28 28 . 39.499 -15.469 -24.479 1.00 18.15 1 . C ? ATOM 225 C C . LYS LYS LYS A A 28 28 . 40.864 -15.770 -23.874 1.00 15.54 1 . C ? ATOM 226 O O . LYS LYS LYS A A 28 28 . 41.778 -14.929 -23.897 1.00 14.18 1 . O ? ATOM 227 CB CB . LYS LYS LYS A A 28 28 . 38.475 -15.163 -23.391 1.00 18.67 1 . C ? ATOM 228 CG CG . LYS LYS LYS A A 28 28 . 38.665 -13.858 -22.664 1.00 25.99 1 . C ? ATOM 229 CD CD . LYS LYS LYS A A 28 28 . 37.555 -13.687 -21.631 1.00 23.46 1 . C ? ATOM 230 CE CE . LYS LYS LYS A A 28 28 . 36.323 -12.975 -22.209 1.00 29.69 1 . C ? ATOM 231 NZ NZ . LYS LYS LYS A A 28 28 . 35.783 -13.533 -23.496 1.00 29.32 1 . N ? ATOM 232 N N . VAL VAL VAL A A 29 29 . 41.026 -16.979 -23.344 1.00 12.45 1 . N ? ATOM 233 CA CA . VAL VAL VAL A A 29 29 . 42.302 -17.395 -22.772 1.00 16.38 1 . C ? ATOM 234 C C . VAL VAL VAL A A 29 29 . 43.371 -17.480 -23.861 1.00 14.96 1 . C ? ATOM 235 O O . VAL VAL VAL A A 29 29 . 44.511 -17.042 -23.675 1.00 17.44 1 . O ? ATOM 236 CB CB . VAL VAL VAL A A 29 29 . 42.124 -18.732 -22.035 1.00 16.32 1 . C ? ATOM 237 CG1 CG1 . VAL VAL VAL A A 29 29 . 43.464 -19.429 -21.800 1.00 20.81 1 . C ? ATOM 238 CG2 CG2 . VAL VAL VAL A A 29 29 . 41.382 -18.498 -20.739 1.00 19.89 1 . C ? ATOM 239 N N . PHE PHE PHE A A 30 30 . 43.003 -18.037 -25.018 1.00 14.56 1 . N ? ATOM 240 CA CA . PHE PHE PHE A A 30 30 . 43.952 -18.184 -26.117 1.00 13.25 1 . C ? ATOM 241 C C . PHE PHE PHE A A 30 30 . 44.332 -16.834 -26.708 1.00 14.47 1 . C ? ATOM 242 O O . PHE PHE PHE A A 30 30 . 45.478 -16.637 -27.123 1.00 13.82 1 . O ? ATOM 243 CB CB . PHE PHE PHE A A 30 30 . 43.361 -19.086 -27.200 1.00 10.82 1 . C ? ATOM 244 CG CG . PHE PHE PHE A A 30 30 . 43.382 -20.555 -26.865 1.00 12.17 1 . C ? ATOM 245 CD1 CD1 . PHE PHE PHE A A 30 30 . 44.272 -21.065 -25.926 1.00 14.51 1 . C ? ATOM 246 CD2 CD2 . PHE PHE PHE A A 30 30 . 42.527 -21.436 -27.511 1.00 14.94 1 . C ? ATOM 247 CE1 CE1 . PHE PHE PHE A A 30 30 . 44.293 -22.434 -25.625 1.00 12.68 1 . C ? ATOM 248 CE2 CE2 . PHE PHE PHE A A 30 30 . 42.543 -22.797 -27.220 1.00 13.54 1 . C ? ATOM 249 CZ CZ . PHE PHE PHE A A 30 30 . 43.443 -23.295 -26.270 1.00 13.41 1 . C ? ATOM 250 N N . LYS LYS LYS A A 31 31 . 43.378 -15.894 -26.777 1.00 16.29 1 . N ? ATOM 251 CA CA . LYS LYS LYS A A 31 31 . 43.677 -14.590 -27.367 1.00 15.56 1 . C ? ATOM 252 C C . LYS LYS LYS A A 31 31 . 44.578 -13.771 -26.461 1.00 15.46 1 . C ? ATOM 253 O O . LYS LYS LYS A A 31 31 . 45.403 -12.988 -26.942 1.00 17.58 1 . O ? ATOM 254 CB CB . LYS LYS LYS A A 31 31 . 42.378 -13.832 -27.678 1.00 14.44 1 . C ? ATOM 255 CG CG . LYS LYS LYS A A 31 31 . 41.763 -14.244 -29.000 1.00 15.27 1 . C ? ATOM 256 CD CD . LYS LYS LYS A A 31 31 . 40.609 -13.348 -29.438 1.00 19.12 1 . C ? ATOM 257 CE CE . LYS LYS LYS A A 31 31 . 40.226 -13.645 -30.895 1.00 24.59 1 . C ? ATOM 258 NZ NZ . LYS LYS LYS A A 31 31 . 38.936 -13.018 -31.332 1.00 24.89 1 . N ? ATOM 259 N N . GLN GLN GLN A A 32 32 . 44.460 -13.958 -25.153 1.00 13.35 1 . N ? ATOM 260 CA CA . GLN GLN GLN A A 32 32 . 45.350 -13.267 -24.226 1.00 19.46 1 . C ? ATOM 261 C C . GLN GLN GLN A A 32 32 . 46.753 -13.878 -24.254 1.00 19.38 1 . C ? ATOM 262 O O . GLN GLN GLN A A 32 32 . 47.761 -13.158 -24.294 1.00 17.90 1 . O ? ATOM 263 CB CB . GLN GLN GLN A A 32 32 . 44.726 -13.310 -22.832 1.00 20.43 1 . C ? ATOM 264 CG CG . GLN GLN GLN A A 32 32 . 45.541 -12.739 -21.706 1.00 30.21 1 . C ? ATOM 265 CD CD . GLN GLN GLN A A 32 32 . 44.771 -12.778 -20.402 1.00 30.87 1 . C ? ATOM 266 OE1 OE1 . GLN GLN GLN A A 32 32 . 45.284 -13.219 -19.375 1.00 41.10 1 . O ? ATOM 267 NE2 NE2 . GLN GLN GLN A A 32 32 . 43.524 -12.334 -20.444 1.00 29.35 1 . N ? ATOM 268 N N . TYR TYR TYR A A 33 33 . 46.831 -15.208 -24.280 1.00 17.32 1 . N ? ATOM 269 CA CA . TYR TYR TYR A A 33 33 . 48.114 -15.897 -24.394 1.00 16.37 1 . C ? ATOM 270 C C . TYR TYR TYR A A 33 33 . 48.830 -15.540 -25.693 1.00 16.25 1 . C ? ATOM 271 O O . TYR TYR TYR A A 33 33 . 50.036 -15.247 -25.702 1.00 17.57 1 . O ? ATOM 272 CB CB . TYR TYR TYR A A 33 33 . 47.866 -17.399 -24.297 1.00 15.44 1 . C ? ATOM 273 CG CG . TYR TYR TYR A A 33 33 . 49.066 -18.265 -24.536 1.00 15.81 1 . C ? ATOM 274 CD1 CD1 . TYR TYR TYR A A 33 33 . 49.953 -18.562 -23.503 1.00 18.08 1 . C ? ATOM 275 CD2 CD2 . TYR TYR TYR A A 33 33 . 49.296 -18.820 -25.781 1.00 14.92 1 . C ? ATOM 276 CE1 CE1 . TYR TYR TYR A A 33 33 . 51.061 -19.376 -23.726 1.00 20.93 1 . C ? ATOM 277 CE2 CE2 . TYR TYR TYR A A 33 33 . 50.407 -19.637 -26.013 1.00 17.15 1 . C ? ATOM 278 CZ CZ . TYR TYR TYR A A 33 33 . 51.269 -19.912 -24.980 1.00 19.55 1 . C ? ATOM 279 OH OH . TYR TYR TYR A A 33 33 . 52.348 -20.724 -25.213 1.00 24.13 1 . O ? ATOM 280 N N . ALA ALA ALA A A 34 34 . 48.102 -15.575 -26.811 1.00 14.71 1 . N ? ATOM 281 CA CA . ALA ALA ALA A A 34 34 . 48.699 -15.239 -28.099 1.00 14.63 1 . C ? ATOM 282 C C . ALA ALA ALA A A 34 34 . 49.224 -13.809 -28.104 1.00 17.15 1 . C ? ATOM 283 O O . ALA ALA ALA A A 34 34 . 50.336 -13.547 -28.574 1.00 19.16 1 . O ? ATOM 284 CB CB . ALA ALA ALA A A 34 34 . 47.669 -15.439 -29.214 1.00 17.07 1 . C ? ATOM 285 N N . ASN ASN ASN A A 35 35 . 48.426 -12.868 -27.592 1.00 21.08 1 . N ? ATOM 286 CA CA . ASN ASN ASN A A 35 35 . 48.821 -11.464 -27.603 1.00 21.52 1 . C ? ATOM 287 C C . ASN ASN ASN A A 35 35 . 49.962 -11.200 -26.625 1.00 19.08 1 . C ? ATOM 288 O O . ASN ASN ASN A A 35 35 . 50.921 -10.493 -26.961 1.00 19.14 1 . O ? ATOM 289 CB CB . ASN ASN ASN A A 35 35 . 47.609 -10.587 -27.282 1.00 24.41 1 . C ? ATOM 290 CG CG . ASN ASN ASN A A 35 35 . 47.953 -9.110 -27.254 1.00 30.89 1 . C ? ATOM 291 OD1 OD1 . ASN ASN ASN A A 35 35 . 48.061 -8.501 -26.185 1.00 35.27 1 . O ? ATOM 292 ND2 ND2 . ASN ASN ASN A A 35 35 . 48.147 -8.530 -28.431 1.00 28.44 1 . N ? ATOM 293 N N . ASP ASP ASP A A 36 36 . 49.870 -11.755 -25.408 1.00 16.57 1 . N ? ATOM 294 CA CA . ASP ASP ASP A A 36 36 . 50.959 -11.643 -24.435 1.00 20.90 1 . C ? ATOM 295 C C . ASP ASP ASP A A 36 36 . 52.284 -12.111 -25.016 1.00 19.11 1 . C ? ATOM 296 O O . ASP ASP ASP A A 36 36 . 53.346 -11.642 -24.593 1.00 21.94 1 . O ? ATOM 297 CB CB . ASP ASP ASP A A 36 36 . 50.642 -12.456 -23.173 1.00 18.38 1 . C ? ATOM 298 CG CG . ASP ASP ASP A A 36 36 . 49.583 -11.801 -22.301 1.00 25.34 1 . C ? ATOM 299 OD1 OD1 . ASP ASP ASP A A 36 36 . 49.271 -10.620 -22.553 1.00 24.38 1 . O ? ATOM 300 OD2 OD2 . ASP ASP ASP A A 36 36 . 49.048 -12.468 -21.379 1.00 24.04 1 . O ? ATOM 301 N N . ASN ASN ASN A A 37 37 . 52.245 -13.030 -25.980 1.00 18.05 1 . N ? ATOM 302 CA CA . ASN ASN ASN A A 37 37 . 53.445 -13.679 -26.481 1.00 17.72 1 . C ? ATOM 303 C C . ASN ASN ASN A A 37 37 . 53.811 -13.209 -27.882 1.00 20.58 1 . C ? ATOM 304 O O . ASN ASN ASN A A 37 37 . 54.624 -13.847 -28.554 1.00 22.50 1 . O ? ATOM 305 CB CB . ASN ASN ASN A A 37 37 . 53.283 -15.200 -26.434 1.00 18.17 1 . C ? ATOM 306 CG CG . ASN ASN ASN A A 37 37 . 53.280 -15.743 -25.009 1.00 20.51 1 . C ? ATOM 307 OD1 OD1 . ASN ASN ASN A A 37 37 . 54.335 -15.871 -24.369 1.00 23.90 1 . O ? ATOM 308 ND2 ND2 . ASN ASN ASN A A 37 37 . 52.099 -16.066 -24.507 1.00 18.12 1 . N ? ATOM 309 N N . GLY GLY GLY A A 38 38 . 53.245 -12.093 -28.327 1.00 19.50 1 . N ? ATOM 310 CA CA . GLY GLY GLY A A 38 38 . 53.657 -11.496 -29.582 1.00 20.62 1 . C ? ATOM 311 C C . GLY GLY GLY A A 38 38 . 53.057 -12.093 -30.831 1.00 22.28 1 . C ? ATOM 312 O O . GLY GLY GLY A A 38 38 . 53.605 -11.889 -31.919 1.00 23.98 1 . O ? ATOM 313 N N . VAL VAL VAL A A 39 39 . 51.943 -12.811 -30.725 1.00 21.08 1 . N ? ATOM 314 CA CA . VAL VAL VAL A A 39 39 . 51.342 -13.507 -31.860 1.00 18.78 1 . C ? ATOM 315 C C . VAL VAL VAL A A 39 39 . 49.981 -12.880 -32.133 1.00 20.23 1 . C ? ATOM 316 O O . VAL VAL VAL A A 39 39 . 49.024 -13.092 -31.380 1.00 21.91 1 . O ? ATOM 317 CB CB . VAL VAL VAL A A 39 39 . 51.215 -15.016 -31.613 1.00 19.68 1 . C ? ATOM 318 CG1 CG1 . VAL VAL VAL A A 39 39 . 50.685 -15.692 -32.856 1.00 19.87 1 . C ? ATOM 319 CG2 CG2 . VAL VAL VAL A A 39 39 . 52.567 -15.615 -31.236 1.00 20.89 1 . C ? ATOM 320 N N . ASP ASP ASP A A 40 40 . 49.885 -12.118 -33.217 1.00 22.37 1 . N ? ATOM 321 CA CA . ASP ASP ASP A A 40 40 . 48.641 -11.469 -33.601 1.00 24.69 1 . C ? ATOM 322 C C . ASP ASP ASP A A 40 40 . 48.303 -11.846 -35.034 1.00 23.36 1 . C ? ATOM 323 O O . ASP ASP ASP A A 40 40 . 49.190 -11.901 -35.891 1.00 24.87 1 . O ? ATOM 324 CB CB . ASP ASP ASP A A 40 40 . 48.749 -9.942 -33.458 1.00 26.74 1 . C ? ATOM 325 CG CG . ASP ASP ASP A A 40 40 . 49.123 -9.520 -32.046 1.00 31.74 1 . C ? ATOM 326 OD2 OD2 . ASP ASP ASP A A 40 40 . 50.325 -9.324 -31.780 1.00 29.37 1 . O ? ATOM 327 OD1 OD1 . ASP ASP ASP A A 40 40 . 48.214 -9.405 -31.195 1.00 36.70 1 . O ? ATOM 328 N N . GLY GLY GLY A A 41 41 . 47.028 -12.114 -35.292 1.00 22.42 1 . N ? ATOM 329 CA CA . GLY GLY GLY A A 41 41 . 46.620 -12.438 -36.645 1.00 22.65 1 . C ? ATOM 330 C C . GLY GLY GLY A A 41 41 . 45.171 -12.876 -36.702 1.00 21.38 1 . C ? ATOM 331 O O . GLY GLY GLY A A 41 41 . 44.356 -12.502 -35.857 1.00 20.42 1 . O ? ATOM 332 N N . GLU GLU GLU A A 42 42 . 44.880 -13.690 -37.710 1.00 19.41 1 . N ? ATOM 333 CA CA . GLU GLU GLU A A 42 42 . 43.520 -14.098 -38.046 1.00 19.02 1 . C ? ATOM 334 C C . GLU GLU GLU A A 42 42 . 43.124 -15.345 -37.261 1.00 16.58 1 . C ? ATOM 335 O O . GLU GLU GLU A A 42 42 . 43.861 -16.332 -37.249 1.00 15.30 1 . O ? ATOM 336 CB CB . GLU GLU GLU A A 42 42 . 43.427 -14.377 -39.550 1.00 19.23 1 . C ? ATOM 337 CG CG . GLU GLU GLU A A 42 42 . 42.115 -13.961 -40.184 1.00 30.44 1 . C ? ATOM 338 CD CD . GLU GLU GLU A A 42 42 . 41.892 -12.462 -40.088 1.00 36.26 1 . C ? ATOM 339 OE1 OE1 . GLU GLU GLU A A 42 42 . 42.893 -11.711 -40.098 1.00 35.93 1 . O ? ATOM 340 OE2 OE2 . GLU GLU GLU A A 42 42 . 40.720 -12.038 -39.982 1.00 39.38 1 . O ? ATOM 341 N N . TRP TRP TRP A A 43 43 . 41.943 -15.319 -36.649 1.00 17.26 1 . N ? ATOM 342 CA CA . TRP TRP TRP A A 43 43 . 41.466 -16.435 -35.848 1.00 15.41 1 . C ? ATOM 343 C C . TRP TRP TRP A A 43 43 . 40.400 -17.233 -36.594 1.00 20.33 1 . C ? ATOM 344 O O . TRP TRP TRP A A 43 43 . 39.532 -16.665 -37.262 1.00 15.59 1 . O ? ATOM 345 CB CB . TRP TRP TRP A A 43 43 . 40.923 -15.930 -34.507 1.00 17.57 1 . C ? ATOM 346 CG CG . TRP TRP TRP A A 43 43 . 42.016 -15.410 -33.606 1.00 15.45 1 . C ? ATOM 347 CD1 CD1 . TRP TRP TRP A A 43 43 . 42.664 -14.210 -33.703 1.00 15.92 1 . C ? ATOM 348 CD2 CD2 . TRP TRP TRP A A 43 43 . 42.585 -16.081 -32.478 1.00 14.91 1 . C ? ATOM 349 NE1 NE1 . TRP TRP TRP A A 43 43 . 43.606 -14.094 -32.704 1.00 20.30 1 . N ? ATOM 350 CE2 CE2 . TRP TRP TRP A A 43 43 . 43.573 -15.230 -31.937 1.00 16.66 1 . C ? ATOM 351 CE3 CE3 . TRP TRP TRP A A 43 43 . 42.346 -17.315 -31.865 1.00 13.90 1 . C ? ATOM 352 CZ2 CZ2 . TRP TRP TRP A A 43 43 . 44.323 -15.578 -30.827 1.00 14.77 1 . C ? ATOM 353 CZ3 CZ3 . TRP TRP TRP A A 43 43 . 43.087 -17.656 -30.762 1.00 13.66 1 . C ? ATOM 354 CH2 CH2 . TRP TRP TRP A A 43 43 . 44.064 -16.794 -30.250 1.00 13.36 1 . C ? ATOM 355 N N . THR THR THR A A 44 44 . 40.481 -18.560 -36.482 1.00 16.65 1 . N ? ATOM 356 CA CA . THR THR THR A A 44 44 . 39.447 -19.466 -36.965 1.00 15.83 1 . C ? ATOM 357 C C . THR THR THR A A 44 44 . 39.291 -20.611 -35.977 1.00 19.32 1 . C ? ATOM 358 O O . THR THR THR A A 44 44 . 40.200 -20.921 -35.198 1.00 12.79 1 . O ? ATOM 359 CB CB . THR THR THR A A 44 44 . 39.759 -20.077 -38.334 1.00 19.03 1 . C ? ATOM 360 OG1 OG1 . THR THR THR A A 44 44 . 40.851 -20.994 -38.197 1.00 20.42 1 . O ? ATOM 361 CG2 CG2 . THR THR THR A A 44 44 . 40.108 -19.018 -39.364 1.00 20.71 1 . C ? ATOM 362 N N . TYR TYR TYR A A 45 45 . 38.132 -21.262 -36.040 1.00 16.53 1 . N ? ATOM 363 CA CA . TYR TYR TYR A A 45 45 . 37.798 -22.339 -35.124 1.00 17.73 1 . C ? ATOM 364 C C . TYR TYR TYR A A 45 45 . 37.300 -23.556 -35.892 1.00 19.96 1 . C ? ATOM 365 O O . TYR TYR TYR A A 45 45 . 36.481 -23.439 -36.812 1.00 20.42 1 . O ? ATOM 366 CB CB . TYR TYR TYR A A 45 45 . 36.741 -21.873 -34.115 1.00 16.01 1 . C ? ATOM 367 CG CG . TYR TYR TYR A A 45 45 . 36.418 -22.863 -33.026 1.00 16.99 1 . C ? ATOM 368 CD1 CD1 . TYR TYR TYR A A 45 45 . 37.413 -23.358 -32.195 1.00 16.00 1 . C ? ATOM 369 CD2 CD2 . TYR TYR TYR A A 45 45 . 35.105 -23.289 -32.810 1.00 19.04 1 . C ? ATOM 370 CE1 CE1 . TYR TYR TYR A A 45 45 . 37.124 -24.249 -31.193 1.00 18.22 1 . C ? ATOM 371 CE2 CE2 . TYR TYR TYR A A 45 45 . 34.803 -24.177 -31.800 1.00 18.79 1 . C ? ATOM 372 CZ CZ . TYR TYR TYR A A 45 45 . 35.820 -24.658 -30.995 1.00 19.44 1 . C ? ATOM 373 OH OH . TYR TYR TYR A A 45 45 . 35.547 -25.551 -29.988 1.00 16.80 1 . O ? ATOM 374 N N . ASP ASP ASP A A 46 46 . 37.803 -24.719 -35.505 1.00 16.69 1 . N ? ATOM 375 CA CA . ASP ASP ASP A A 46 46 . 37.314 -26.012 -35.970 1.00 19.07 1 . C ? ATOM 376 C C . ASP ASP ASP A A 46 46 . 36.541 -26.624 -34.802 1.00 17.65 1 . C ? ATOM 377 O O . ASP ASP ASP A A 46 46 . 37.128 -27.225 -33.901 1.00 16.86 1 . O ? ATOM 378 CB CB . ASP ASP ASP A A 46 46 . 38.472 -26.899 -36.428 1.00 20.41 1 . C ? ATOM 379 CG CG . ASP ASP ASP A A 46 46 . 38.004 -28.209 -37.040 1.00 24.08 1 . C ? ATOM 380 OD1 OD1 . ASP ASP ASP A A 46 46 . 36.836 -28.590 -36.830 1.00 25.47 1 . O ? ATOM 381 OD2 OD2 . ASP ASP ASP A A 46 46 . 38.803 -28.857 -37.745 1.00 24.73 1 . O ? ATOM 382 N N . ASP ASP ASP A A 47 47 . 35.214 -26.457 -34.816 1.00 18.15 1 . N ? ATOM 383 CA CA . ASP ASP ASP A A 47 47 . 34.402 -26.999 -33.731 1.00 19.08 1 . C ? ATOM 384 C C . ASP ASP ASP A A 47 47 . 34.372 -28.521 -33.734 1.00 19.58 1 . C ? ATOM 385 O O . ASP ASP ASP A A 47 47 . 33.950 -29.122 -32.742 1.00 17.78 1 . O ? ATOM 386 CB CB . ASP ASP ASP A A 47 47 . 32.973 -26.451 -33.784 1.00 22.08 1 . C ? ATOM 387 CG CG . ASP ASP ASP A A 47 47 . 32.237 -26.833 -35.058 1.00 22.10 1 . C ? ATOM 388 OD1 OD1 . ASP ASP ASP A A 47 47 . 32.647 -27.796 -35.736 1.00 22.28 1 . O ? ATOM 389 OD2 OD2 . ASP ASP ASP A A 47 47 . 31.231 -26.171 -35.377 1.00 17.77 1 . O ? ATOM 390 N N . ALA ALA ALA A A 48 48 . 34.811 -29.163 -34.820 1.00 18.70 1 . N ? ATOM 391 CA CA . ALA ALA ALA A A 48 48 . 34.841 -30.617 -34.827 1.00 18.55 1 . C ? ATOM 392 C C . ALA ALA ALA A A 48 48 . 36.021 -31.158 -34.043 1.00 21.38 1 . C ? ATOM 393 O O . ALA ALA ALA A A 48 48 . 35.958 -32.282 -33.534 1.00 22.01 1 . O ? ATOM 394 CB CB . ALA ALA ALA A A 48 48 . 34.881 -31.146 -36.264 1.00 23.21 1 . C ? ATOM 395 N N . THR THR THR A A 49 49 . 37.108 -30.391 -33.957 1.00 20.91 1 . N ? ATOM 396 CA CA . THR THR THR A A 49 49 . 38.268 -30.777 -33.176 1.00 21.08 1 . C ? ATOM 397 C C . THR THR THR A A 49 49 . 38.488 -29.878 -31.972 1.00 18.66 1 . C ? ATOM 398 O O . THR THR THR A A 49 49 . 39.462 -30.084 -31.241 1.00 16.59 1 . O ? ATOM 399 CB CB . THR THR THR A A 49 49 . 39.532 -30.776 -34.047 1.00 18.02 1 . C ? ATOM 400 OG1 OG1 . THR THR THR A A 49 49 . 39.748 -29.471 -34.595 1.00 16.31 1 . O ? ATOM 401 CG2 CG2 . THR THR THR A A 49 49 . 39.395 -31.768 -35.180 1.00 22.43 1 . C ? ATOM 402 N N . LYS LYS LYS A A 50 50 . 37.610 -28.901 -31.747 1.00 18.73 1 . N ? ATOM 403 CA CA . LYS LYS LYS A A 50 50 . 37.753 -27.953 -30.646 1.00 16.38 1 . C ? ATOM 404 C C . LYS LYS LYS A A 50 50 . 39.147 -27.341 -30.660 1.00 18.95 1 . C ? ATOM 405 O O . LYS LYS LYS A A 50 50 . 39.847 -27.310 -29.647 1.00 16.17 1 . O ? ATOM 406 CB CB . LYS LYS LYS A A 50 50 . 37.455 -28.621 -29.301 1.00 16.91 1 . C ? ATOM 407 CG CG . LYS LYS LYS A A 50 50 . 35.975 -28.968 -29.111 1.00 16.66 1 . C ? ATOM 408 CD CD . LYS LYS LYS A A 50 50 . 35.683 -29.374 -27.677 1.00 21.01 1 . C ? ATOM 409 CE CE . LYS LYS LYS A A 50 50 . 34.324 -28.851 -27.240 1.00 27.33 1 . C ? ATOM 410 NZ NZ . LYS LYS LYS A A 50 50 . 33.281 -29.106 -28.268 1.00 31.81 1 . N ? ATOM 411 N N . THR THR THR A A 51 51 . 39.554 -26.880 -31.846 1.00 16.74 1 . N ? ATOM 412 CA CA . THR THR THR A A 51 51 . 40.893 -26.353 -32.096 1.00 16.00 1 . C ? ATOM 413 C C . THR THR THR A A 51 51 . 40.777 -24.975 -32.721 1.00 13.83 1 . C ? ATOM 414 O O . THR THR THR A A 51 51 . 40.117 -24.810 -33.752 1.00 16.37 1 . O ? ATOM 415 CB CB . THR THR THR A A 51 51 . 41.696 -27.277 -33.023 1.00 16.76 1 . C ? ATOM 416 OG1 OG1 . THR THR THR A A 51 51 . 41.890 -28.550 -32.394 1.00 17.76 1 . O ? ATOM 417 CG2 CG2 . THR THR THR A A 51 51 . 43.046 -26.671 -33.378 1.00 12.99 1 . C ? ATOM 418 N N . PHE PHE PHE A A 52 52 . 41.409 -23.993 -32.103 1.00 12.37 1 . N ? ATOM 419 CA CA . PHE PHE PHE A A 52 52 . 41.544 -22.676 -32.700 1.00 12.63 1 . C ? ATOM 420 C C . PHE PHE PHE A A 52 52 . 42.877 -22.587 -33.432 1.00 14.59 1 . C ? ATOM 421 O O . PHE PHE PHE A A 52 52 . 43.861 -23.232 -33.048 1.00 13.14 1 . O ? ATOM 422 CB CB . PHE PHE PHE A A 52 52 . 41.476 -21.571 -31.642 1.00 12.87 1 . C ? ATOM 423 CG CG . PHE PHE PHE A A 52 52 . 40.131 -21.446 -30.960 1.00 16.69 1 . C ? ATOM 424 CD2 CD2 . PHE PHE PHE A A 52 52 . 39.187 -20.544 -31.421 1.00 15.76 1 . C ? ATOM 425 CD1 CD1 . PHE PHE PHE A A 52 52 . 39.829 -22.211 -29.843 1.00 16.41 1 . C ? ATOM 426 CE2 CE2 . PHE PHE PHE A A 52 52 . 37.954 -20.416 -30.789 1.00 15.56 1 . C ? ATOM 427 CE1 CE1 . PHE PHE PHE A A 52 52 . 38.594 -22.090 -29.206 1.00 18.15 1 . C ? ATOM 428 CZ CZ . PHE PHE PHE A A 52 52 . 37.658 -21.188 -29.688 1.00 18.19 1 . C ? ATOM 429 N N . THR THR THR A A 53 53 . 42.904 -21.780 -34.491 1.00 10.41 1 . N ? ATOM 430 CA CA . THR THR THR A A 53 53 . 44.148 -21.375 -35.136 1.00 11.83 1 . C ? ATOM 431 C C . THR THR THR A A 53 53 . 44.214 -19.857 -35.180 1.00 12.07 1 . C ? ATOM 432 O O . THR THR THR A A 53 53 . 43.239 -19.198 -35.562 1.00 12.81 1 . O ? ATOM 433 CB CB . THR THR THR A A 53 53 . 44.271 -21.934 -36.561 1.00 13.18 1 . C ? ATOM 434 OG1 OG1 . THR THR THR A A 53 53 . 44.136 -23.360 -36.533 1.00 12.01 1 . O ? ATOM 435 CG2 CG2 . THR THR THR A A 53 53 . 45.640 -21.541 -37.180 1.00 11.40 1 . C ? ATOM 436 N N . VAL VAL VAL A A 54 54 . 45.355 -19.303 -34.783 1.00 11.47 1 . N ? ATOM 437 CA CA . VAL VAL VAL A A 54 54 . 45.683 -17.906 -35.041 1.00 12.97 1 . C ? ATOM 438 C C . VAL VAL VAL A A 54 54 . 46.806 -17.887 -36.070 1.00 14.51 1 . C ? ATOM 439 O O . VAL VAL VAL A A 54 54 . 47.812 -18.591 -35.916 1.00 14.74 1 . O ? ATOM 440 CB CB . VAL VAL VAL A A 54 54 . 46.068 -17.154 -33.749 1.00 15.03 1 . C ? ATOM 441 CG1 CG1 . VAL VAL VAL A A 54 54 . 47.228 -17.842 -33.004 1.00 10.15 1 . C ? ATOM 442 CG2 CG2 . VAL VAL VAL A A 54 54 . 46.415 -15.701 -34.062 1.00 13.36 1 . C ? ATOM 443 N N . THR THR THR A A 55 55 . 46.617 -17.120 -37.140 1.00 14.80 1 . N ? ATOM 444 CA CA . THR THR THR A A 55 55 . 47.546 -17.104 -38.264 1.00 15.04 1 . C ? ATOM 445 C C . THR THR THR A A 55 55 . 48.058 -15.684 -38.438 1.00 17.08 1 . C ? ATOM 446 O O . THR THR THR A A 55 55 . 47.271 -14.764 -38.676 1.00 15.87 1 . O ? ATOM 447 CB CB . THR THR THR A A 55 55 . 46.879 -17.601 -39.555 1.00 18.18 1 . C ? ATOM 448 OG1 OG1 . THR THR THR A A 55 55 . 46.426 -18.952 -39.385 1.00 17.91 1 . O ? ATOM 449 CG2 CG2 . THR THR THR A A 55 55 . 47.870 -17.582 -40.693 1.00 15.14 1 . C ? ATOM 450 N N . GLU GLU GLU A A 56 56 . 49.368 -15.508 -38.305 1.00 18.80 1 . N ? ATOM 451 CA CA . GLU GLU GLU A A 56 56 . 49.984 -14.208 -38.512 1.00 20.88 1 . C ? ATOM 452 C C . GLU GLU GLU A A 56 56 . 49.951 -13.826 -39.983 1.00 27.14 1 . C ? ATOM 453 O O . GLU GLU GLU A A 56 56 . 49.786 -12.651 -40.304 1.00 32.81 1 . O ? ATOM 454 CB CB . GLU GLU GLU A A 56 56 . 51.423 -14.205 -38.002 1.00 23.94 1 . C ? ATOM 455 CG CG . GLU GLU GLU A A 56 56 . 51.538 -14.328 -36.492 1.00 24.47 1 . C ? ATOM 456 CD CD . GLU GLU GLU A A 56 56 . 52.941 -14.042 -36.003 1.00 23.64 1 . C ? ATOM 457 OE1 OE1 . GLU GLU GLU A A 56 56 . 53.182 -14.162 -34.781 1.00 22.66 1 . O ? ATOM 458 OE2 OE2 . GLU GLU GLU A A 56 56 . 53.802 -13.697 -36.846 1.00 25.15 1 . O ? ATOM 459 OXT OXT . GLU GLU GLU A A 56 56 . 50.085 -14.667 -40.879 1.00 28.14 1 . O ? ATOM 460 N N . ASP ASP ASP B B 1 1 . 27.923 -28.885 0.946 1.00 26.48 1 . N ? ATOM 461 CA CA . ASP ASP ASP B B 1 1 . 28.837 -29.979 0.636 1.00 30.14 1 . C ? ATOM 462 C C . ASP ASP ASP B B 1 1 . 30.236 -29.425 0.380 1.00 24.42 1 . C ? ATOM 463 O O . ASP ASP ASP B B 1 1 . 30.556 -28.312 0.811 1.00 18.36 1 . O ? ATOM 464 CB CB . ASP ASP ASP B B 1 1 . 28.350 -30.763 -0.589 1.00 30.47 1 . C ? ATOM 465 CG CG . ASP ASP ASP B B 1 1 . 26.879 -31.137 -0.500 1.00 43.50 1 . C ? ATOM 466 OD2 OD2 . ASP ASP ASP B B 1 1 . 26.192 -31.082 -1.547 1.00 46.49 1 . O ? ATOM 467 OD1 OD1 . ASP ASP ASP B B 1 1 . 26.406 -31.481 0.612 1.00 36.40 1 . O ? ATOM 468 N N . THR THR THR B B 2 2 . 31.050 -30.214 -0.324 1.00 26.83 1 . N ? ATOM 469 CA CA . THR THR THR B B 2 2 . 32.369 -29.788 -0.781 1.00 24.28 1 . C ? ATOM 470 C C . THR THR THR B B 2 2 . 32.251 -29.182 -2.175 1.00 23.55 1 . C ? ATOM 471 O O . THR THR THR B B 2 2 . 31.839 -29.864 -3.119 1.00 22.40 1 . O ? ATOM 472 CB CB . THR THR THR B B 2 2 . 33.354 -30.957 -0.836 1.00 23.45 1 . C ? ATOM 473 OG1 OG1 . THR THR THR B B 2 2 . 33.445 -31.585 0.443 1.00 27.05 1 . O ? ATOM 474 CG2 CG2 . THR THR THR B B 2 2 . 34.741 -30.451 -1.255 1.00 21.53 1 . C ? ATOM 475 N N . TYR TYR TYR B B 3 3 . 32.636 -27.919 -2.308 1.00 18.86 1 . N ? ATOM 476 CA CA . TYR TYR TYR B B 3 3 . 32.687 -27.253 -3.596 1.00 17.18 1 . C ? ATOM 477 C C . TYR TYR TYR B B 3 3 . 34.147 -27.060 -3.984 1.00 17.87 1 . C ? ATOM 478 O O . TYR TYR TYR B B 3 3 . 35.024 -27.007 -3.122 1.00 14.60 1 . O ? ATOM 479 CB CB . TYR TYR TYR B B 3 3 . 31.958 -25.907 -3.548 1.00 17.94 1 . C ? ATOM 480 CG CG . TYR TYR TYR B B 3 3 . 30.490 -26.006 -3.160 1.00 22.91 1 . C ? ATOM 481 CD1 CD1 . TYR TYR TYR B B 3 3 . 30.100 -26.009 -1.823 1.00 22.36 1 . C ? ATOM 482 CD2 CD2 . TYR TYR TYR B B 3 3 . 29.502 -26.106 -4.128 1.00 23.91 1 . C ? ATOM 483 CE1 CE1 . TYR TYR TYR B B 3 3 . 28.755 -26.101 -1.464 1.00 26.92 1 . C ? ATOM 484 CE2 CE2 . TYR TYR TYR B B 3 3 . 28.156 -26.199 -3.783 1.00 22.57 1 . C ? ATOM 485 CZ CZ . TYR TYR TYR B B 3 3 . 27.787 -26.194 -2.453 1.00 23.51 1 . C ? ATOM 486 OH OH . TYR TYR TYR B B 3 3 . 26.449 -26.275 -2.119 1.00 25.93 1 . O ? ATOM 487 N N . LYS LYS LYS B B 4 4 . 34.399 -26.952 -5.288 1.00 17.06 1 . N ? ATOM 488 CA CA . LYS LYS LYS B B 4 4 . 35.754 -26.806 -5.807 1.00 15.38 1 . C ? ATOM 489 C C . LYS LYS LYS B B 4 4 . 35.904 -25.487 -6.551 1.00 15.62 1 . C ? ATOM 490 O O . LYS LYS LYS B B 4 4 . 34.940 -24.956 -7.117 1.00 14.07 1 . O ? ATOM 491 CB CB . LYS LYS LYS B B 4 4 . 36.131 -27.962 -6.739 1.00 16.01 1 . C ? ATOM 492 CG CG . LYS LYS LYS B B 4 4 . 36.310 -29.289 -6.008 1.00 26.17 1 . C ? ATOM 493 CD CD . LYS LYS LYS B B 4 4 . 36.648 -30.435 -6.948 1.00 33.44 1 . C ? ATOM 494 CE CE . LYS LYS LYS B B 4 4 . 36.385 -31.779 -6.274 1.00 32.96 1 . C ? ATOM 495 NZ NZ . LYS LYS LYS B B 4 4 . 34.953 -31.943 -5.895 1.00 26.02 1 . N ? ATOM 496 N N . LEU LEU LEU B B 5 5 . 37.133 -24.969 -6.546 1.00 13.23 1 . N ? ATOM 497 CA CA . LEU LEU LEU B B 5 5 . 37.494 -23.759 -7.273 1.00 11.65 1 . C ? ATOM 498 C C . LEU LEU LEU B B 5 5 . 38.663 -24.071 -8.196 1.00 11.63 1 . C ? ATOM 499 O O . LEU LEU LEU B B 5 5 . 39.698 -24.556 -7.733 1.00 9.90 1 . O ? ATOM 500 CB CB . LEU LEU LEU B B 5 5 . 37.871 -22.627 -6.316 1.00 10.64 1 . C ? ATOM 501 CG CG . LEU LEU LEU B B 5 5 . 38.270 -21.346 -7.049 1.00 12.05 1 . C ? ATOM 502 CD1 CD1 . LEU LEU LEU B B 5 5 . 37.105 -20.819 -7.901 1.00 11.94 1 . C ? ATOM 503 CD2 CD2 . LEU LEU LEU B B 5 5 . 38.806 -20.281 -6.097 1.00 11.17 1 . C ? ATOM 504 N N . ILE ILE ILE B B 6 6 . 38.483 -23.829 -9.500 1.00 12.42 1 . N ? ATOM 505 CA CA . ILE ILE ILE B B 6 6 . 39.580 -23.824 -10.469 1.00 11.02 1 . C ? ATOM 506 C C . ILE ILE ILE B B 6 6 . 39.966 -22.373 -10.712 1.00 10.43 1 . C ? ATOM 507 O O . ILE ILE ILE B B 6 6 . 39.106 -21.549 -11.034 1.00 8.96 1 . O ? ATOM 508 CB CB . ILE ILE ILE B B 6 6 . 39.176 -24.499 -11.796 1.00 13.41 1 . C ? ATOM 509 CG1 CG1 . ILE ILE ILE B B 6 6 . 38.672 -25.934 -11.581 1.00 12.02 1 . C ? ATOM 510 CG2 CG2 . ILE ILE ILE B B 6 6 . 40.346 -24.428 -12.818 1.00 13.30 1 . C ? ATOM 511 CD1 CD1 . ILE ILE ILE B B 6 6 . 39.535 -26.795 -10.662 1.00 17.91 1 . C ? ATOM 512 N N . LEU LEU LEU B B 7 7 . 41.247 -22.050 -10.553 1.00 11.94 1 . N ? ATOM 513 CA CA . LEU LEU LEU B B 7 7 . 41.761 -20.704 -10.808 1.00 12.74 1 . C ? ATOM 514 C C . LEU LEU LEU B B 7 7 . 42.679 -20.777 -12.022 1.00 17.48 1 . C ? ATOM 515 O O . LEU LEU LEU B B 7 7 . 43.741 -21.406 -11.969 1.00 10.93 1 . O ? ATOM 516 CB CB . LEU LEU LEU B B 7 7 . 42.506 -20.136 -9.601 1.00 12.41 1 . C ? ATOM 517 CG CG . LEU LEU LEU B B 7 7 . 41.829 -20.039 -8.238 1.00 10.77 1 . C ? ATOM 518 CD1 CD1 . LEU LEU LEU B B 7 7 . 41.967 -21.340 -7.490 1.00 11.30 1 . C ? ATOM 519 CD2 CD2 . LEU LEU LEU B B 7 7 . 42.425 -18.899 -7.421 1.00 12.06 1 . C ? ATOM 520 N N . ASN ASN ASN B B 8 8 . 42.258 -20.158 -13.113 1.00 16.50 1 . N ? ATOM 521 CA CA . ASN ASN ASN B B 8 8 . 43.027 -20.104 -14.348 1.00 18.23 1 . C ? ATOM 522 C C . ASN ASN ASN B B 8 8 . 43.579 -18.686 -14.456 1.00 21.82 1 . C ? ATOM 523 O O . ASN ASN ASN B B 8 8 . 42.828 -17.743 -14.726 1.00 23.35 1 . O ? ATOM 524 CB CB . ASN ASN ASN B B 8 8 . 42.148 -20.479 -15.544 1.00 15.97 1 . C ? ATOM 525 CG CG . ASN ASN ASN B B 8 8 . 42.934 -20.579 -16.849 1.00 21.77 1 . C ? ATOM 526 OD1 OD1 . ASN ASN ASN B B 8 8 . 44.143 -20.358 -16.879 1.00 27.08 1 . O ? ATOM 527 ND2 ND2 . ASN ASN ASN B B 8 8 . 42.246 -20.925 -17.929 1.00 26.54 1 . N ? ATOM 528 N N . GLY GLY GLY B B 9 9 . 44.879 -18.532 -14.218 1.00 21.05 1 . N ? ATOM 529 CA CA . GLY GLY GLY B B 9 9 . 45.487 -17.215 -14.227 1.00 22.81 1 . C ? ATOM 530 C C . GLY GLY GLY B B 9 9 . 46.151 -16.827 -15.539 1.00 29.43 1 . C ? ATOM 531 O O . GLY GLY GLY B B 9 9 . 46.684 -15.724 -15.661 1.00 34.20 1 . O ? ATOM 532 N N . DVA DVA DVA B B 10 10 . 46.101 -17.714 -16.530 1.00 25.03 1 . N ? ATOM 533 CA CA . DVA DVA DVA B B 10 10 . 46.888 -17.533 -17.746 1.00 25.74 1 . C ? ATOM 534 CB CB . DVA DVA DVA B B 10 10 . 46.009 -17.149 -18.961 1.00 27.66 1 . C ? ATOM 535 CG2 CG2 . DVA DVA DVA B B 10 10 . 44.755 -17.986 -18.979 1.00 26.55 1 . C ? ATOM 536 CG1 CG1 . DVA DVA DVA B B 10 10 . 46.788 -17.255 -20.262 1.00 21.70 1 . C ? ATOM 537 C C . DVA DVA DVA B B 10 10 . 47.766 -18.768 -17.977 1.00 25.19 1 . C ? ATOM 538 O O . DVA DVA DVA B B 10 10 . 47.292 -19.866 -18.287 1.00 22.89 1 . O ? ATOM 539 N N . VAL VAL VAL B B 11 11 . 49.063 -18.588 -17.784 1.00 23.82 1 . N ? ATOM 540 CA CA . VAL VAL VAL B B 11 11 . 49.963 -19.716 -17.825 1.00 19.85 1 . C ? ATOM 541 C C . VAL VAL VAL B B 11 11 . 49.999 -20.380 -16.451 1.00 19.79 1 . C ? ATOM 542 O O . VAL VAL VAL B B 11 11 . 50.506 -21.489 -16.309 1.00 26.19 1 . O ? ATOM 543 CB CB . VAL VAL VAL B B 11 11 . 51.371 -19.286 -18.290 1.00 21.77 1 . C ? ATOM 544 CG1 CG1 . VAL VAL VAL B B 11 11 . 51.280 -18.577 -19.625 1.00 23.48 1 . C ? ATOM 545 CG2 CG2 . VAL VAL VAL B B 11 11 . 52.025 -18.383 -17.264 1.00 20.37 1 . C ? ATOM 546 N N . LEU LEU LEU B B 12 12 . 49.453 -19.712 -15.438 1.00 19.95 1 . N ? ATOM 547 CA CA . LEU LEU LEU B B 12 12 . 49.481 -20.217 -14.070 1.00 16.97 1 . C ? ATOM 548 C C . LEU LEU LEU B B 12 12 . 48.103 -20.739 -13.678 1.00 19.42 1 . C ? ATOM 549 O O . LEU LEU LEU B B 12 12 . 47.081 -20.128 -14.011 1.00 20.63 1 . O ? ATOM 550 CB CB . LEU LEU LEU B B 12 12 . 49.943 -19.128 -13.090 1.00 17.20 1 . C ? ATOM 551 CG CG . LEU LEU LEU B B 12 12 . 51.378 -18.581 -13.204 1.00 18.56 1 . C ? ATOM 552 CD1 CD1 . LEU LEU LEU B B 12 12 . 51.699 -17.608 -12.087 1.00 18.00 1 . C ? ATOM 553 CD2 CD2 . LEU LEU LEU B B 12 12 . 52.394 -19.699 -13.206 1.00 13.97 1 . C ? ATOM 554 N N . LYS LYS LYS B B 13 13 . 48.069 -21.885 -12.989 1.00 16.35 1 . N ? ATOM 555 CA CA . LYS LYS LYS B B 13 13 . 46.811 -22.520 -12.618 1.00 17.48 1 . C ? ATOM 556 C C . LYS LYS LYS B B 13 13 . 46.821 -22.906 -11.148 1.00 17.10 1 . C ? ATOM 557 O O . LYS LYS LYS B B 13 13 . 47.874 -23.135 -10.551 1.00 16.60 1 . O ? ATOM 558 CB CB . LYS LYS LYS B B 13 13 . 46.527 -23.761 -13.456 1.00 19.69 1 . C ? ATOM 559 CG CG . LYS LYS LYS B B 13 13 . 46.873 -23.641 -14.938 1.00 29.61 1 . C ? ATOM 560 CD CD . LYS LYS LYS B B 13 13 . 45.918 -22.705 -15.666 1.00 25.89 1 . C ? ATOM 561 CE CE . LYS LYS LYS B B 13 13 . 45.652 -23.192 -17.072 1.00 25.33 1 . C ? ATOM 562 NZ NZ . LYS LYS LYS B B 13 13 . 46.509 -22.470 -18.018 1.00 30.05 1 . N ? ATOM 563 N N . GLY GLY GLY B B 14 14 . 45.620 -23.013 -10.573 1.00 17.42 1 . N ? ATOM 564 CA CA . GLY GLY GLY B B 14 14 . 45.500 -23.372 -9.176 1.00 16.82 1 . C ? ATOM 565 C C . GLY GLY GLY B B 14 14 . 44.156 -24.011 -8.922 1.00 14.17 1 . C ? ATOM 566 O O . GLY GLY GLY B B 14 14 . 43.258 -23.969 -9.763 1.00 13.93 1 . O ? ATOM 567 N N . GLU GLU GLU B B 15 15 . 44.025 -24.615 -7.745 1.00 14.64 1 . N ? ATOM 568 CA CA . GLU GLU GLU B B 15 15 . 42.711 -25.103 -7.359 1.00 17.43 1 . C ? ATOM 569 C C . GLU GLU GLU B B 15 15 . 42.626 -25.197 -5.846 1.00 17.01 1 . C ? ATOM 570 O O . GLU GLU GLU B B 15 15 . 43.642 -25.198 -5.140 1.00 17.41 1 . O ? ATOM 571 CB CB . GLU GLU GLU B B 15 15 . 42.389 -26.441 -8.027 1.00 18.29 1 . C ? ATOM 572 CG CG . GLU GLU GLU B B 15 15 . 43.418 -27.528 -7.830 1.00 26.87 1 . C ? ATOM 573 CD CD . GLU GLU GLU B B 15 15 . 43.050 -28.789 -8.604 1.00 38.56 1 . C ? ATOM 574 OE1 OE1 . GLU GLU GLU B B 15 15 . 42.004 -28.771 -9.298 1.00 43.53 1 . O ? ATOM 575 OE2 OE2 . GLU GLU GLU B B 15 15 . 43.801 -29.788 -8.524 1.00 43.03 1 . O ? ATOM 576 N N . THR THR THR B B 16 16 . 41.390 -25.249 -5.357 1.00 13.66 1 . N ? ATOM 577 CA CA . THR THR THR B B 16 16 . 41.143 -25.351 -3.925 1.00 17.08 1 . C ? ATOM 578 C C . THR THR THR B B 16 16 . 39.710 -25.826 -3.718 1.00 13.80 1 . C ? ATOM 579 O O . THR THR THR B B 16 16 . 38.937 -25.964 -4.665 1.00 11.91 1 . O ? ATOM 580 CB CB . THR THR THR B B 16 16 . 41.410 -24.017 -3.213 1.00 16.62 1 . C ? ATOM 581 OG1 OG1 . THR THR THR B B 16 16 . 41.400 -24.223 -1.795 1.00 16.93 1 . O ? ATOM 582 CG2 CG2 . THR THR THR B B 16 16 . 40.354 -22.983 -3.577 1.00 15.53 1 . C ? ATOM 583 N N . THR THR THR B B 17 17 . 39.376 -26.101 -2.461 1.00 12.97 1 . N ? ATOM 584 CA CA . THR THR THR B B 17 17 . 38.050 -26.572 -2.093 1.00 16.31 1 . C ? ATOM 585 C C . THR THR THR B B 17 17 . 37.591 -25.857 -0.837 1.00 17.68 1 . C ? ATOM 586 O O . THR THR THR B B 17 17 . 38.384 -25.263 -0.107 1.00 19.27 1 . O ? ATOM 587 CB CB . THR THR THR B B 17 17 . 38.004 -28.090 -1.858 1.00 21.57 1 . C ? ATOM 588 OG1 OG1 . THR THR THR B B 17 17 . 38.848 -28.435 -0.753 1.00 21.50 1 . O ? ATOM 589 CG2 CG2 . THR THR THR B B 17 17 . 38.443 -28.848 -3.098 1.00 22.95 1 . C ? ATOM 590 N N . THR THR THR B B 18 18 . 36.286 -25.916 -0.596 1.00 21.66 1 . N ? ATOM 591 CA CA . THR THR THR B B 18 18 . 35.728 -25.394 0.636 1.00 21.35 1 . C ? ATOM 592 C C . THR THR THR B B 18 18 . 34.504 -26.226 0.959 1.00 24.40 1 . C ? ATOM 593 O O . THR THR THR B B 18 18 . 33.946 -26.908 0.092 1.00 22.91 1 . O ? ATOM 594 CB CB . THR THR THR B B 18 18 . 35.391 -23.894 0.532 1.00 24.54 1 . C ? ATOM 595 OG1 OG1 . THR THR THR B B 18 18 . 35.286 -23.318 1.844 1.00 27.44 1 . O ? ATOM 596 CG2 CG2 . THR THR THR B B 18 18 . 34.083 -23.666 -0.233 1.00 19.07 1 . C ? ATOM 597 N N . GLU GLU GLU B B 19 19 . 34.131 -26.214 2.231 1.00 25.87 1 . N ? ATOM 598 CA CA . GLU GLU GLU B B 19 19 . 32.916 -26.866 2.692 1.00 26.40 1 . C ? ATOM 599 C C . GLU GLU GLU B B 19 19 . 31.905 -25.774 3.012 1.00 26.25 1 . C ? ATOM 600 O O . GLU GLU GLU B B 19 19 . 32.258 -24.760 3.626 1.00 25.58 1 . O ? ATOM 601 CB CB . GLU GLU GLU B B 19 19 . 33.189 -27.757 3.910 1.00 28.24 1 . C ? ATOM 602 CG CG . GLU GLU GLU B B 19 19 . 32.066 -28.742 4.198 1.00 35.77 1 . C ? ATOM 603 CD CD . GLU GLU GLU B B 19 19 . 32.212 -30.040 3.417 1.00 33.84 1 . C ? ATOM 604 OE1 OE1 . GLU GLU GLU B B 19 19 . 33.295 -30.265 2.821 1.00 32.79 1 . O ? ATOM 605 OE2 OE2 . GLU GLU GLU B B 19 19 . 31.238 -30.826 3.406 1.00 34.86 1 . O ? ATOM 606 N N . ALA ALA ALA B B 20 20 . 30.666 -25.956 2.559 1.00 24.11 1 . N ? ATOM 607 CA CA . ALA ALA ALA B B 20 20 . 29.669 -24.904 2.708 1.00 26.26 1 . C ? ATOM 608 C C . ALA ALA ALA B B 20 20 . 28.275 -25.493 2.546 1.00 28.50 1 . C ? ATOM 609 O O . ALA ALA ALA B B 20 20 . 28.086 -26.534 1.908 1.00 28.56 1 . O ? ATOM 610 CB CB . ALA ALA ALA B B 20 20 . 29.894 -23.767 1.704 1.00 24.01 1 . C ? ATOM 611 N N . VAL VAL VAL B B 21 21 . 27.298 -24.792 3.124 1.00 29.65 1 . N ? ATOM 612 CA CA . VAL VAL VAL B B 21 21 . 25.930 -25.295 3.167 1.00 30.63 1 . C ? ATOM 613 C C . VAL VAL VAL B B 21 21 . 25.222 -25.098 1.832 1.00 30.46 1 . C ? ATOM 614 O O . VAL VAL VAL B B 21 21 . 24.278 -25.837 1.517 1.00 27.29 1 . O ? ATOM 615 CB CB . VAL VAL VAL B B 21 21 . 25.161 -24.626 4.322 1.00 36.94 1 . C ? ATOM 616 CG1 CG1 . VAL VAL VAL B B 21 21 . 24.878 -23.151 4.013 1.00 31.36 1 . C ? ATOM 617 CG2 CG2 . VAL VAL VAL B B 21 21 . 23.874 -25.392 4.631 1.00 37.87 1 . C ? ATOM 618 N N . ASP ASP ASP B B 22 22 . 25.649 -24.117 1.034 1.00 30.31 1 . N ? ATOM 619 CA CA . ASP ASP ASP B B 22 22 . 25.098 -23.923 -0.303 1.00 31.01 1 . C ? ATOM 620 C C . ASP ASP ASP B B 22 22 . 26.120 -23.203 -1.174 1.00 27.45 1 . C ? ATOM 621 O O . ASP ASP ASP B B 22 22 . 27.159 -22.738 -0.699 1.00 25.95 1 . O ? ATOM 622 CB CB . ASP ASP ASP B B 22 22 . 23.787 -23.147 -0.262 1.00 30.06 1 . C ? ATOM 623 CG CG . ASP ASP ASP B B 22 22 . 23.906 -21.851 0.502 1.00 31.46 1 . C ? ATOM 624 OD1 OD1 . ASP ASP ASP B B 22 22 . 25.046 -21.435 0.814 1.00 37.98 1 . O ? ATOM 625 OD2 OD2 . ASP ASP ASP B B 22 22 . 22.855 -21.238 0.786 1.00 32.97 1 . O ? ATOM 626 N N . ALA ALA ALA B B 23 23 . 25.779 -23.082 -2.458 1.00 27.52 1 . N ? ATOM 627 CA CA . ALA ALA ALA B B 23 23 . 26.726 -22.582 -3.448 1.00 25.85 1 . C ? ATOM 628 C C . ALA ALA ALA B B 23 23 . 27.023 -21.099 -3.246 1.00 27.72 1 . C ? ATOM 629 O O . ALA ALA ALA B B 23 23 . 28.149 -20.646 -3.490 1.00 23.47 1 . O ? ATOM 630 CB CB . ALA ALA ALA B B 23 23 . 26.184 -22.854 -4.849 1.00 27.50 1 . C ? ATOM 631 N N . ALA ALA ALA B B 24 24 . 26.036 -20.326 -2.794 1.00 29.19 1 . N ? ATOM 632 CA CA . ALA ALA ALA B B 24 24 . 26.250 -18.889 -2.639 1.00 28.18 1 . C ? ATOM 633 C C . ALA ALA ALA B B 24 24 . 27.311 -18.605 -1.588 1.00 24.84 1 . C ? ATOM 634 O O . ALA ALA ALA B B 24 24 . 28.140 -17.704 -1.760 1.00 24.78 1 . O ? ATOM 635 CB CB . ALA ALA ALA B B 24 24 . 24.939 -18.194 -2.273 1.00 25.25 1 . C ? ATOM 636 N N . THR THR THR B B 25 25 . 27.289 -19.354 -0.486 1.00 25.67 1 . N ? ATOM 637 CA CA . THR THR THR B B 25 25 . 28.325 -19.214 0.529 1.00 23.45 1 . C ? ATOM 638 C C . THR THR THR B B 25 25 . 29.691 -19.578 -0.045 1.00 24.60 1 . C ? ATOM 639 O O . THR THR THR B B 25 25 . 30.643 -18.789 0.037 1.00 26.49 1 . O ? ATOM 640 CB CB . THR THR THR B B 25 25 . 27.995 -20.088 1.745 1.00 29.47 1 . C ? ATOM 641 OG1 OG1 . THR THR THR B B 25 25 . 26.707 -19.728 2.275 1.00 33.34 1 . O ? ATOM 642 CG2 CG2 . THR THR THR B B 25 25 . 29.064 -19.949 2.826 1.00 18.64 1 . C ? ATOM 643 N N . ALA ALA ALA B B 26 26 . 29.799 -20.779 -0.636 1.00 22.42 1 . N ? ATOM 644 CA CA . ALA ALA ALA B B 26 26 . 31.055 -21.223 -1.243 1.00 19.82 1 . C ? ATOM 645 C C . ALA ALA ALA B B 26 26 . 31.613 -20.176 -2.192 1.00 18.59 1 . C ? ATOM 646 O O . ALA ALA ALA B B 26 26 . 32.826 -19.942 -2.230 1.00 21.77 1 . O ? ATOM 647 CB CB . ALA ALA ALA B B 26 26 . 30.852 -22.552 -1.976 1.00 18.14 1 . C ? ATOM 648 N N . GLU GLU GLU B B 27 27 . 30.742 -19.524 -2.963 1.00 16.91 1 . N ? ATOM 649 CA CA . GLU GLU GLU B B 27 27 . 31.230 -18.546 -3.920 1.00 18.00 1 . C ? ATOM 650 C C . GLU GLU GLU B B 27 27 . 31.750 -17.302 -3.218 1.00 20.04 1 . C ? ATOM 651 O O . GLU GLU GLU B B 27 27 . 32.751 -16.719 -3.643 1.00 20.08 1 . O ? ATOM 652 CB CB . GLU GLU GLU B B 27 27 . 30.133 -18.188 -4.917 1.00 21.47 1 . C ? ATOM 653 CG CG . GLU GLU GLU B B 27 27 . 30.707 -17.748 -6.234 1.00 19.11 1 . C ? ATOM 654 CD CD . GLU GLU GLU B B 27 27 . 29.666 -17.256 -7.205 1.00 21.43 1 . C ? ATOM 655 OE1 OE1 . GLU GLU GLU B B 27 27 . 28.519 -17.779 -7.194 1.00 25.04 1 . O ? ATOM 656 OE2 OE2 . GLU GLU GLU B B 27 27 . 30.014 -16.339 -7.979 1.00 21.32 1 . O ? ATOM 657 N N . LYS LYS LYS B B 28 28 . 31.073 -16.871 -2.149 1.00 20.64 1 . N ? ATOM 658 CA CA . LYS LYS LYS B B 28 28 . 31.577 -15.750 -1.366 1.00 24.73 1 . C ? ATOM 659 C C . LYS LYS LYS B B 28 28 . 32.966 -16.055 -0.827 1.00 19.39 1 . C ? ATOM 660 O O . LYS LYS LYS B B 28 28 . 33.870 -15.211 -0.887 1.00 18.19 1 . O ? ATOM 661 CB CB . LYS LYS LYS B B 28 28 . 30.616 -15.448 -0.221 1.00 27.58 1 . C ? ATOM 662 CG CG . LYS LYS LYS B B 28 28 . 30.969 -14.216 0.582 1.00 33.41 1 . C ? ATOM 663 CD CD . LYS LYS LYS B B 28 28 . 29.895 -13.930 1.627 1.00 35.90 1 . C ? ATOM 664 CE CE . LYS LYS LYS B B 28 28 . 28.819 -12.984 1.090 1.00 41.45 1 . C ? ATOM 665 NZ NZ . LYS LYS LYS B B 28 28 . 28.204 -13.420 -0.209 1.00 37.79 1 . N ? ATOM 666 N N . VAL VAL VAL B B 29 29 . 33.146 -17.273 -0.320 1.00 16.06 1 . N ? ATOM 667 CA CA . VAL VAL VAL B B 29 29 . 34.448 -17.719 0.174 1.00 22.86 1 . C ? ATOM 668 C C . VAL VAL VAL B B 29 29 . 35.471 -17.727 -0.951 1.00 20.05 1 . C ? ATOM 669 O O . VAL VAL VAL B B 29 29 . 36.577 -17.187 -0.818 1.00 21.71 1 . O ? ATOM 670 CB CB . VAL VAL VAL B B 29 29 . 34.321 -19.113 0.812 1.00 20.98 1 . C ? ATOM 671 CG1 CG1 . VAL VAL VAL B B 29 29 . 35.710 -19.772 0.936 1.00 22.41 1 . C ? ATOM 672 CG2 CG2 . VAL VAL VAL B B 29 29 . 33.634 -19.009 2.150 1.00 24.10 1 . C ? ATOM 673 N N . PHE PHE PHE B B 30 30 . 35.119 -18.363 -2.074 1.00 19.30 1 . N ? ATOM 674 CA CA . PHE PHE PHE B B 30 30 . 36.038 -18.456 -3.198 1.00 15.98 1 . C ? ATOM 675 C C . PHE PHE PHE B B 30 30 . 36.380 -17.081 -3.756 1.00 18.30 1 . C ? ATOM 676 O O . PHE PHE PHE B B 30 30 . 37.507 -16.858 -4.212 1.00 16.56 1 . O ? ATOM 677 CB CB . PHE PHE PHE B B 30 30 . 35.433 -19.345 -4.292 1.00 14.16 1 . C ? ATOM 678 CG CG . PHE PHE PHE B B 30 30 . 35.439 -20.823 -3.972 1.00 15.64 1 . C ? ATOM 679 CD1 CD1 . PHE PHE PHE B B 30 30 . 36.375 -21.367 -3.106 1.00 18.00 1 . C ? ATOM 680 CD2 CD2 . PHE PHE PHE B B 30 30 . 34.523 -21.677 -4.570 1.00 16.74 1 . C ? ATOM 681 CE1 CE1 . PHE PHE PHE B B 30 30 . 36.383 -22.732 -2.832 1.00 14.49 1 . C ? ATOM 682 CE2 CE2 . PHE PHE PHE B B 30 30 . 34.538 -23.039 -4.305 1.00 15.42 1 . C ? ATOM 683 CZ CZ . PHE PHE PHE B B 30 30 . 35.474 -23.563 -3.424 1.00 16.00 1 . C ? ATOM 684 N N . LYS LYS LYS B B 31 31 . 35.427 -16.139 -3.719 1.00 20.66 1 . N ? ATOM 685 CA CA . LYS LYS LYS B B 31 31 . 35.684 -14.824 -4.297 1.00 19.66 1 . C ? ATOM 686 C C . LYS LYS LYS B B 31 31 . 36.635 -14.004 -3.438 1.00 17.57 1 . C ? ATOM 687 O O . LYS LYS LYS B B 31 31 . 37.405 -13.198 -3.972 1.00 22.14 1 . O ? ATOM 688 CB CB . LYS LYS LYS B B 31 31 . 34.364 -14.088 -4.530 1.00 18.89 1 . C ? ATOM 689 CG CG . LYS LYS LYS B B 31 31 . 33.692 -14.543 -5.822 1.00 17.02 1 . C ? ATOM 690 CD CD . LYS LYS LYS B B 31 31 . 32.393 -13.839 -6.113 1.00 18.64 1 . C ? ATOM 691 CE CE . LYS LYS LYS B B 31 31 . 32.066 -14.031 -7.582 1.00 21.58 1 . C ? ATOM 692 NZ NZ . LYS LYS LYS B B 31 31 . 30.638 -13.830 -7.932 1.00 20.71 1 . N ? ATOM 693 N N . GLN GLN GLN B B 32 32 . 36.627 -14.205 -2.123 1.00 16.24 1 . N ? ATOM 694 CA CA . GLN GLN GLN B B 32 32 . 37.612 -13.520 -1.284 1.00 24.19 1 . C ? ATOM 695 C C . GLN GLN GLN B B 32 32 . 38.985 -14.177 -1.388 1.00 22.79 1 . C ? ATOM 696 O O . GLN GLN GLN B B 32 32 . 40.009 -13.490 -1.511 1.00 24.67 1 . O ? ATOM 697 CB CB . GLN GLN GLN B B 32 32 . 37.147 -13.495 0.169 1.00 26.18 1 . C ? ATOM 698 CG CG . GLN GLN GLN B B 32 32 . 35.765 -12.930 0.352 1.00 26.90 1 . C ? ATOM 699 CD CD . GLN GLN GLN B B 32 32 . 35.468 -12.605 1.800 1.00 30.98 1 . C ? ATOM 700 OE1 OE1 . GLN GLN GLN B B 32 32 . 36.370 -12.568 2.636 1.00 33.57 1 . O ? ATOM 701 NE2 NE2 . GLN GLN GLN B B 32 32 . 34.193 -12.363 2.103 1.00 38.04 1 . N ? ATOM 702 N N . TYR TYR TYR B B 33 33 . 39.023 -15.508 -1.325 1.00 21.10 1 . N ? ATOM 703 CA CA . TYR TYR TYR B B 33 33 . 40.264 -16.244 -1.539 1.00 18.87 1 . C ? ATOM 704 C C . TYR TYR TYR B B 33 33 . 40.931 -15.829 -2.840 1.00 20.04 1 . C ? ATOM 705 O O . TYR TYR TYR B B 33 33 . 42.135 -15.538 -2.880 1.00 20.89 1 . O ? ATOM 706 CB CB . TYR TYR TYR B B 33 33 . 39.957 -17.741 -1.541 1.00 21.01 1 . C ? ATOM 707 CG CG . TYR TYR TYR B B 33 33 . 41.146 -18.634 -1.807 1.00 16.31 1 . C ? ATOM 708 CD1 CD1 . TYR TYR TYR B B 33 33 . 41.937 -19.100 -0.764 1.00 20.64 1 . C ? ATOM 709 CD2 CD2 . TYR TYR TYR B B 33 33 . 41.464 -19.028 -3.096 1.00 17.33 1 . C ? ATOM 710 CE1 CE1 . TYR TYR TYR B B 33 33 . 43.021 -19.926 -1.005 1.00 20.54 1 . C ? ATOM 711 CE2 CE2 . TYR TYR TYR B B 33 33 . 42.544 -19.850 -3.346 1.00 15.29 1 . C ? ATOM 712 CZ CZ . TYR TYR TYR B B 33 33 . 43.316 -20.296 -2.297 1.00 19.70 1 . C ? ATOM 713 OH OH . TYR TYR TYR B B 33 33 . 44.387 -21.119 -2.547 1.00 24.46 1 . O ? ATOM 714 N N . ALA ALA ALA B B 34 34 . 40.153 -15.788 -3.922 1.00 16.57 1 . N ? ATOM 715 CA CA . ALA ALA ALA B B 34 34 . 40.711 -15.445 -5.224 1.00 18.42 1 . C ? ATOM 716 C C . ALA ALA ALA B B 34 34 . 41.246 -14.018 -5.227 1.00 23.26 1 . C ? ATOM 717 O O . ALA ALA ALA B B 34 34 . 42.375 -13.768 -5.667 1.00 24.51 1 . O ? ATOM 718 CB CB . ALA ALA ALA B B 34 34 . 39.652 -15.639 -6.314 1.00 20.55 1 . C ? ATOM 719 N N . ASN ASN ASN B B 35 35 . 40.454 -13.072 -4.717 1.00 26.04 1 . N ? ATOM 720 CA CA . ASN ASN ASN B B 35 35 . 40.875 -11.675 -4.708 1.00 28.92 1 . C ? ATOM 721 C C . ASN ASN ASN B B 35 35 . 42.039 -11.447 -3.748 1.00 26.66 1 . C ? ATOM 722 O O . ASN ASN ASN B B 35 35 . 42.967 -10.692 -4.067 1.00 27.53 1 . O ? ATOM 723 CB CB . ASN ASN ASN B B 35 35 . 39.694 -10.769 -4.349 1.00 33.02 1 . C ? ATOM 724 CG CG . ASN ASN ASN B B 35 35 . 40.075 -9.292 -4.330 1.00 38.75 1 . C ? ATOM 725 OD1 OD1 . ASN ASN ASN B B 35 35 . 40.182 -8.676 -3.267 1.00 39.74 1 . O ? ATOM 726 ND2 ND2 . ASN ASN ASN B B 35 35 . 40.293 -8.724 -5.508 1.00 35.21 1 . N ? ATOM 727 N N . ASP ASP ASP B B 36 36 . 42.005 -12.088 -2.570 1.00 22.23 1 . N ? ATOM 728 CA CA . ASP ASP ASP B B 36 36 . 43.124 -12.000 -1.630 1.00 31.40 1 . C ? ATOM 729 C C . ASP ASP ASP B B 36 36 . 44.430 -12.418 -2.286 1.00 26.92 1 . C ? ATOM 730 O O . ASP ASP ASP B B 36 36 . 45.480 -11.816 -2.039 1.00 31.63 1 . O ? ATOM 731 CB CB . ASP ASP ASP B B 36 36 . 42.875 -12.872 -0.396 1.00 25.10 1 . C ? ATOM 732 CG CG . ASP ASP ASP B B 36 36 . 41.877 -12.263 0.556 1.00 31.46 1 . C ? ATOM 733 OD1 OD1 . ASP ASP ASP B B 36 36 . 41.677 -11.032 0.488 1.00 35.89 1 . O ? ATOM 734 OD2 OD2 . ASP ASP ASP B B 36 36 . 41.291 -13.006 1.377 1.00 33.26 1 . O ? ATOM 735 N N . ASN ASN ASN B B 37 37 . 44.381 -13.452 -3.122 1.00 24.39 1 . N ? ATOM 736 CA CA . ASN ASN ASN B B 37 37 . 45.568 -14.062 -3.686 1.00 25.98 1 . C ? ATOM 737 C C . ASN ASN ASN B B 37 37 . 45.851 -13.554 -5.088 1.00 29.37 1 . C ? ATOM 738 O O . ASN ASN ASN B B 37 37 . 46.602 -14.189 -5.836 1.00 29.18 1 . O ? ATOM 739 CB CB . ASN ASN ASN B B 37 37 . 45.437 -15.587 -3.655 1.00 25.28 1 . C ? ATOM 740 CG CG . ASN ASN ASN B B 37 37 . 45.304 -16.132 -2.231 1.00 27.29 1 . C ? ATOM 741 OD1 OD1 . ASN ASN ASN B B 37 37 . 46.300 -16.303 -1.512 1.00 31.70 1 . O ? ATOM 742 ND2 ND2 . ASN ASN ASN B B 37 37 . 44.072 -16.398 -1.816 1.00 26.07 1 . N ? ATOM 743 N N . GLY GLY GLY B B 38 38 . 45.258 -12.423 -5.456 1.00 29.15 1 . N ? ATOM 744 CA CA . GLY GLY GLY B B 38 38 . 45.584 -11.770 -6.710 1.00 33.26 1 . C ? ATOM 745 C C . GLY GLY GLY B B 38 38 . 45.001 -12.404 -7.953 1.00 28.21 1 . C ? ATOM 746 O O . GLY GLY GLY B B 38 38 . 45.629 -12.353 -9.019 1.00 33.08 1 . O ? ATOM 747 N N . VAL VAL VAL B B 39 39 . 43.816 -12.994 -7.856 1.00 28.54 1 . N ? ATOM 748 CA CA . VAL VAL VAL B B 39 39 . 43.164 -13.614 -9.006 1.00 27.33 1 . C ? ATOM 749 C C . VAL VAL VAL B B 39 39 . 41.818 -12.927 -9.203 1.00 26.00 1 . C ? ATOM 750 O O . VAL VAL VAL B B 39 39 . 40.849 -13.211 -8.488 1.00 28.58 1 . O ? ATOM 751 CB CB . VAL VAL VAL B B 39 39 . 42.986 -15.126 -8.844 1.00 24.04 1 . C ? ATOM 752 CG1 CG1 . VAL VAL VAL B B 39 39 . 42.336 -15.687 -10.102 1.00 24.83 1 . C ? ATOM 753 CG2 CG2 . VAL VAL VAL B B 39 39 . 44.317 -15.810 -8.576 1.00 26.44 1 . C ? ATOM 754 N N . ASP ASP ASP B B 40 40 . 41.738 -12.042 -10.187 1.00 28.33 1 . N ? ATOM 755 CA CA . ASP ASP ASP B B 40 40 . 40.491 -11.386 -10.540 1.00 26.56 1 . C ? ATOM 756 C C . ASP ASP ASP B B 40 40 . 40.144 -11.728 -11.979 1.00 25.76 1 . C ? ATOM 757 O O . ASP ASP ASP B B 40 40 . 41.013 -11.715 -12.853 1.00 28.56 1 . O ? ATOM 758 CB CB . ASP ASP ASP B B 40 40 . 40.600 -9.876 -10.353 1.00 30.25 1 . C ? ATOM 759 CG CG . ASP ASP ASP B B 40 40 . 41.256 -9.510 -9.039 1.00 35.58 1 . C ? ATOM 760 OD2 OD2 . ASP ASP ASP B B 40 40 . 40.525 -9.289 -8.050 1.00 38.98 1 . O ? ATOM 761 OD1 OD1 . ASP ASP ASP B B 40 40 . 42.504 -9.463 -8.991 1.00 33.12 1 . O ? ATOM 762 N N . GLY GLY GLY B B 41 41 . 38.880 -12.052 -12.220 1.00 24.60 1 . N ? ATOM 763 CA CA . GLY GLY GLY B B 41 41 . 38.468 -12.408 -13.560 1.00 24.54 1 . C ? ATOM 764 C C . GLY GLY GLY B B 41 41 . 37.010 -12.794 -13.602 1.00 21.51 1 . C ? ATOM 765 O O . GLY GLY GLY B B 41 41 . 36.237 -12.459 -12.701 1.00 20.68 1 . O ? ATOM 766 N N . GLU GLU GLU B B 42 42 . 36.653 -13.522 -14.658 1.00 19.11 1 . N ? ATOM 767 CA CA . GLU GLU GLU B B 42 42 . 35.273 -13.924 -14.906 1.00 22.72 1 . C ? ATOM 768 C C . GLU GLU GLU B B 42 42 . 34.949 -15.233 -14.190 1.00 15.89 1 . C ? ATOM 769 O O . GLU GLU GLU B B 42 42 . 35.753 -16.161 -14.182 1.00 13.64 1 . O ? ATOM 770 CB CB . GLU GLU GLU B B 42 42 . 35.045 -14.090 -16.411 1.00 25.09 1 . C ? ATOM 771 CG CG . GLU GLU GLU B B 42 42 . 33.770 -13.438 -16.961 1.00 32.65 1 . C ? ATOM 772 CD CD . GLU GLU GLU B B 42 42 . 33.819 -11.921 -16.919 1.00 36.72 1 . C ? ATOM 773 OE1 OE1 . GLU GLU GLU B B 42 42 . 34.820 -11.343 -17.390 1.00 41.04 1 . O ? ATOM 774 OE2 OE2 . GLU GLU GLU B B 42 42 . 32.855 -11.301 -16.423 1.00 42.84 1 . O ? ATOM 775 N N . TRP TRP TRP B B 43 43 . 33.744 -15.327 -13.633 1.00 16.21 1 . N ? ATOM 776 CA CA . TRP TRP TRP B B 43 43 . 33.324 -16.492 -12.866 1.00 13.92 1 . C ? ATOM 777 C C . TRP TRP TRP B B 43 43 . 32.262 -17.300 -13.608 1.00 17.73 1 . C ? ATOM 778 O O . TRP TRP TRP B B 43 43 . 31.354 -16.737 -14.220 1.00 16.32 1 . O ? ATOM 779 CB CB . TRP TRP TRP B B 43 43 . 32.795 -16.058 -11.490 1.00 14.99 1 . C ? ATOM 780 CG CG . TRP TRP TRP B B 43 43 . 33.888 -15.541 -10.604 1.00 16.35 1 . C ? ATOM 781 CD1 CD1 . TRP TRP TRP B B 43 43 . 34.532 -14.344 -10.711 1.00 14.94 1 . C ? ATOM 782 CD2 CD2 . TRP TRP TRP B B 43 43 . 34.481 -16.217 -9.491 1.00 15.28 1 . C ? ATOM 783 NE1 NE1 . TRP TRP TRP B B 43 43 . 35.488 -14.229 -9.728 1.00 19.42 1 . N ? ATOM 784 CE2 CE2 . TRP TRP TRP B B 43 43 . 35.475 -15.365 -8.965 1.00 17.44 1 . C ? ATOM 785 CE3 CE3 . TRP TRP TRP B B 43 43 . 34.262 -17.455 -8.883 1.00 16.36 1 . C ? ATOM 786 CZ2 CZ2 . TRP TRP TRP B B 43 43 . 36.252 -15.717 -7.873 1.00 15.96 1 . C ? ATOM 787 CZ3 CZ3 . TRP TRP TRP B B 43 43 . 35.034 -17.800 -7.794 1.00 14.80 1 . C ? ATOM 788 CH2 CH2 . TRP TRP TRP B B 43 43 . 36.011 -16.937 -7.298 1.00 14.43 1 . C ? ATOM 789 N N . THR THR THR B B 44 44 . 32.379 -18.626 -13.558 1.00 14.81 1 . N ? ATOM 790 CA CA . THR THR THR B B 44 44 . 31.301 -19.513 -13.976 1.00 16.57 1 . C ? ATOM 791 C C . THR THR THR B B 44 44 . 31.190 -20.661 -12.986 1.00 19.26 1 . C ? ATOM 792 O O . THR THR THR B B 44 44 . 32.129 -20.968 -12.245 1.00 14.56 1 . O ? ATOM 793 CB CB . THR THR THR B B 44 44 . 31.493 -20.101 -15.378 1.00 21.19 1 . C ? ATOM 794 OG1 OG1 . THR THR THR B B 44 44 . 32.621 -20.986 -15.367 1.00 20.50 1 . O ? ATOM 795 CG2 CG2 . THR THR THR B B 44 44 . 31.658 -19.004 -16.442 1.00 20.99 1 . C ? ATOM 796 N N . TYR TYR TYR B B 45 45 . 30.024 -21.301 -12.995 1.00 17.24 1 . N ? ATOM 797 CA CA . TYR TYR TYR B B 45 45 . 29.720 -22.382 -12.067 1.00 16.50 1 . C ? ATOM 798 C C . TYR TYR TYR B B 45 45 . 29.181 -23.571 -12.842 1.00 19.23 1 . C ? ATOM 799 O O . TYR TYR TYR B B 45 45 . 28.287 -23.420 -13.678 1.00 19.34 1 . O ? ATOM 800 CB CB . TYR TYR TYR B B 45 45 . 28.706 -21.927 -11.012 1.00 15.76 1 . C ? ATOM 801 CG CG . TYR TYR TYR B B 45 45 . 28.384 -22.950 -9.943 1.00 19.09 1 . C ? ATOM 802 CD1 CD1 . TYR TYR TYR B B 45 45 . 29.395 -23.594 -9.243 1.00 19.05 1 . C ? ATOM 803 CD2 CD2 . TYR TYR TYR B B 45 45 . 27.066 -23.247 -9.608 1.00 22.66 1 . C ? ATOM 804 CE1 CE1 . TYR TYR TYR B B 45 45 . 29.105 -24.515 -8.255 1.00 20.65 1 . C ? ATOM 805 CE2 CE2 . TYR TYR TYR B B 45 45 . 26.766 -24.162 -8.619 1.00 19.91 1 . C ? ATOM 806 CZ CZ . TYR TYR TYR B B 45 45 . 27.791 -24.797 -7.943 1.00 23.17 1 . C ? ATOM 807 OH OH . TYR TYR TYR B B 45 45 . 27.511 -25.717 -6.958 1.00 20.17 1 . O ? ATOM 808 N N . ASP ASP ASP B B 46 46 . 29.745 -24.744 -12.577 1.00 17.36 1 . N ? ATOM 809 CA CA . ASP ASP ASP B B 46 46 . 29.217 -26.018 -13.062 1.00 22.13 1 . C ? ATOM 810 C C . ASP ASP ASP B B 46 46 . 28.482 -26.652 -11.882 1.00 19.61 1 . C ? ATOM 811 O O . ASP ASP ASP B B 46 46 . 29.085 -27.317 -11.039 1.00 20.45 1 . O ? ATOM 812 CB CB . ASP ASP ASP B B 46 46 . 30.348 -26.899 -13.589 1.00 20.23 1 . C ? ATOM 813 CG CG . ASP ASP ASP B B 46 46 . 29.854 -28.212 -14.175 1.00 25.53 1 . C ? ATOM 814 OD1 OD1 . ASP ASP ASP B B 46 46 . 28.673 -28.544 -13.962 1.00 26.74 1 . O ? ATOM 815 OD2 OD2 . ASP ASP ASP B B 46 46 . 30.647 -28.912 -14.849 1.00 24.83 1 . O ? ATOM 816 N N . ASP ASP ASP B B 47 47 . 27.163 -26.439 -11.809 1.00 19.60 1 . N ? ATOM 817 CA CA . ASP ASP ASP B B 47 47 . 26.416 -26.990 -10.679 1.00 19.92 1 . C ? ATOM 818 C C . ASP ASP ASP B B 47 47 . 26.353 -28.512 -10.705 1.00 21.14 1 . C ? ATOM 819 O O . ASP ASP ASP B B 47 47 . 25.937 -29.119 -9.709 1.00 24.67 1 . O ? ATOM 820 CB CB . ASP ASP ASP B B 47 47 . 24.997 -26.403 -10.617 1.00 20.91 1 . C ? ATOM 821 CG CG . ASP ASP ASP B B 47 47 . 24.155 -26.756 -11.837 1.00 23.03 1 . C ? ATOM 822 OD1 OD1 . ASP ASP ASP B B 47 47 . 24.409 -27.800 -12.468 1.00 23.93 1 . O ? ATOM 823 OD2 OD2 . ASP ASP ASP B B 47 47 . 23.221 -25.994 -12.156 1.00 23.22 1 . O ? ATOM 824 N N . ALA ALA ALA B B 48 48 . 26.737 -29.137 -11.819 1.00 19.39 1 . N ? ATOM 825 CA CA . ALA ALA ALA B B 48 48 . 26.776 -30.590 -11.893 1.00 19.02 1 . C ? ATOM 826 C C . ALA ALA ALA B B 48 48 . 27.970 -31.164 -11.155 1.00 22.19 1 . C ? ATOM 827 O O . ALA ALA ALA B B 48 48 . 27.906 -32.301 -10.673 1.00 24.25 1 . O ? ATOM 828 CB CB . ALA ALA ALA B B 48 48 . 26.817 -31.048 -13.350 1.00 23.59 1 . C ? ATOM 829 N N . THR THR THR B B 49 49 . 29.070 -30.416 -11.091 1.00 22.52 1 . N ? ATOM 830 CA CA . THR THR THR B B 49 49 . 30.254 -30.838 -10.360 1.00 21.49 1 . C ? ATOM 831 C C . THR THR THR B B 49 49 . 30.546 -29.931 -9.178 1.00 21.00 1 . C ? ATOM 832 O O . THR THR THR B B 49 49 . 31.580 -30.104 -8.519 1.00 19.49 1 . O ? ATOM 833 CB CB . THR THR THR B B 49 49 . 31.467 -30.897 -11.292 1.00 23.95 1 . C ? ATOM 834 OG1 OG1 . THR THR THR B B 49 49 . 31.753 -29.588 -11.804 1.00 21.75 1 . O ? ATOM 835 CG2 CG2 . THR THR THR B B 49 49 . 31.166 -31.818 -12.450 1.00 26.64 1 . C ? ATOM 836 N N . LYS LYS LYS B B 50 50 . 29.657 -28.984 -8.890 1.00 20.75 1 . N ? ATOM 837 CA CA . LYS LYS LYS B B 50 50 . 29.836 -28.035 -7.795 1.00 22.99 1 . C ? ATOM 838 C C . LYS LYS LYS B B 50 50 . 31.236 -27.437 -7.840 1.00 22.62 1 . C ? ATOM 839 O O . LYS LYS LYS B B 50 50 . 31.942 -27.361 -6.831 1.00 19.47 1 . O ? ATOM 840 CB CB . LYS LYS LYS B B 50 50 . 29.554 -28.696 -6.446 1.00 20.33 1 . C ? ATOM 841 CG CG . LYS LYS LYS B B 50 50 . 28.092 -29.076 -6.237 1.00 21.80 1 . C ? ATOM 842 CD CD . LYS LYS LYS B B 50 50 . 27.910 -29.810 -4.915 1.00 30.42 1 . C ? ATOM 843 CE CE . LYS LYS LYS B B 50 50 . 26.443 -30.059 -4.598 1.00 34.38 1 . C ? ATOM 844 NZ NZ . LYS LYS LYS B B 50 50 . 25.734 -28.797 -4.210 1.00 37.39 1 . N ? ATOM 845 N N . THR THR THR B B 51 51 . 31.645 -27.045 -9.049 1.00 21.85 1 . N ? ATOM 846 CA CA . THR THR THR B B 51 51 . 32.968 -26.500 -9.323 1.00 20.07 1 . C ? ATOM 847 C C . THR THR THR B B 51 51 . 32.805 -25.112 -9.911 1.00 15.86 1 . C ? ATOM 848 O O . THR THR THR B B 51 51 . 32.102 -24.939 -10.913 1.00 18.44 1 . O ? ATOM 849 CB CB . THR THR THR B B 51 51 . 33.743 -27.400 -10.286 1.00 19.61 1 . C ? ATOM 850 OG1 OG1 . THR THR THR B B 51 51 . 33.977 -28.663 -9.653 1.00 20.65 1 . O ? ATOM 851 CG2 CG2 . THR THR THR B B 51 51 . 35.082 -26.773 -10.686 1.00 14.47 1 . C ? ATOM 852 N N . PHE PHE PHE B B 52 52 . 33.417 -24.128 -9.271 1.00 13.10 1 . N ? ATOM 853 CA CA . PHE PHE PHE B B 52 52 . 33.542 -22.798 -9.847 1.00 14.03 1 . C ? ATOM 854 C C . PHE PHE PHE B B 52 52 . 34.861 -22.690 -10.600 1.00 14.07 1 . C ? ATOM 855 O O . PHE PHE PHE B B 52 52 . 35.850 -23.349 -10.256 1.00 13.85 1 . O ? ATOM 856 CB CB . PHE PHE PHE B B 52 52 . 33.486 -21.719 -8.767 1.00 13.48 1 . C ? ATOM 857 CG CG . PHE PHE PHE B B 52 52 . 32.164 -21.640 -8.045 1.00 16.93 1 . C ? ATOM 858 CD2 CD2 . PHE PHE PHE B B 52 52 . 31.190 -20.741 -8.446 1.00 15.95 1 . C ? ATOM 859 CD1 CD1 . PHE PHE PHE B B 52 52 . 31.913 -22.447 -6.947 1.00 16.95 1 . C ? ATOM 860 CE2 CE2 . PHE PHE PHE B B 52 52 . 29.975 -20.669 -7.772 1.00 16.71 1 . C ? ATOM 861 CE1 CE1 . PHE PHE PHE B B 52 52 . 30.706 -22.377 -6.268 1.00 18.62 1 . C ? ATOM 862 CZ CZ . PHE PHE PHE B B 52 52 . 29.736 -21.487 -6.684 1.00 18.70 1 . C ? ATOM 863 N N . THR THR THR B B 53 53 . 34.862 -21.855 -11.643 1.00 12.82 1 . N ? ATOM 864 CA CA . THR THR THR B B 53 53 . 36.074 -21.456 -12.348 1.00 13.00 1 . C ? ATOM 865 C C . THR THR THR B B 53 53 . 36.158 -19.941 -12.377 1.00 11.62 1 . C ? ATOM 866 O O . THR THR THR B B 53 53 . 35.204 -19.275 -12.795 1.00 11.58 1 . O ? ATOM 867 CB CB . THR THR THR B B 53 53 . 36.108 -21.963 -13.791 1.00 14.81 1 . C ? ATOM 868 OG1 OG1 . THR THR THR B B 53 53 . 36.015 -23.391 -13.806 1.00 14.26 1 . O ? ATOM 869 CG2 CG2 . THR THR THR B B 53 53 . 37.403 -21.505 -14.469 1.00 14.53 1 . C ? ATOM 870 N N . VAL VAL VAL B B 54 54 . 37.290 -19.397 -11.939 1.00 10.86 1 . N ? ATOM 871 CA CA . VAL VAL VAL B B 54 54 . 37.630 -18.001 -12.181 1.00 11.49 1 . C ? ATOM 872 C C . VAL VAL VAL B B 54 54 . 38.749 -17.971 -13.217 1.00 14.51 1 . C ? ATOM 873 O O . VAL VAL VAL B B 54 54 . 39.723 -18.724 -13.110 1.00 13.61 1 . O ? ATOM 874 CB CB . VAL VAL VAL B B 54 54 . 38.026 -17.271 -10.883 1.00 15.25 1 . C ? ATOM 875 CG1 CG1 . VAL VAL VAL B B 54 54 . 39.188 -17.977 -10.171 1.00 12.51 1 . C ? ATOM 876 CG2 CG2 . VAL VAL VAL B B 54 54 . 38.370 -15.825 -11.183 1.00 14.05 1 . C ? ATOM 877 N N . THR THR THR B B 55 55 . 38.583 -17.131 -14.240 1.00 16.57 1 . N ? ATOM 878 CA CA . THR THR THR B B 55 55 . 39.522 -17.011 -15.349 1.00 15.80 1 . C ? ATOM 879 C C . THR THR THR B B 55 55 . 39.984 -15.564 -15.426 1.00 17.18 1 . C ? ATOM 880 O O . THR THR THR B B 55 55 . 39.160 -14.660 -15.589 1.00 14.28 1 . O ? ATOM 881 CB CB . THR THR THR B B 55 55 . 38.870 -17.430 -16.670 1.00 16.65 1 . C ? ATOM 882 OG1 OG1 . THR THR THR B B 55 55 . 38.336 -18.757 -16.553 1.00 18.57 1 . O ? ATOM 883 CG2 CG2 . THR THR THR B B 55 55 . 39.888 -17.393 -17.799 1.00 15.57 1 . C ? ATOM 884 N N . GLU GLU GLU B B 56 56 . 41.289 -15.342 -15.302 1.00 19.71 1 . N ? ATOM 885 CA CA . GLU GLU GLU B B 56 56 . 41.813 -13.978 -15.344 1.00 25.94 1 . C ? ATOM 886 C C . GLU GLU GLU B B 56 56 . 41.768 -13.415 -16.751 1.00 26.83 1 . C ? ATOM 887 O O . GLU GLU GLU B B 56 56 . 42.107 -14.090 -17.718 1.00 30.69 1 . O ? ATOM 888 CB CB . GLU GLU GLU B B 56 56 . 43.243 -13.921 -14.818 1.00 29.21 1 . C ? ATOM 889 CG CG . GLU GLU GLU B B 56 56 . 43.348 -13.811 -13.310 1.00 30.45 1 . C ? ATOM 890 CD CD . GLU GLU GLU B B 56 56 . 44.796 -13.727 -12.857 1.00 33.92 1 . C ? ATOM 891 OE1 OE1 . GLU GLU GLU B B 56 56 . 45.044 -13.596 -11.638 1.00 33.89 1 . O ? ATOM 892 OE2 OE2 . GLU GLU GLU B B 56 56 . 45.688 -13.789 -13.731 1.00 36.37 1 . O ? ATOM 893 OXT OXT . GLU GLU GLU B B 56 56 . 41.401 -12.260 -16.942 1.00 33.84 1 . O ? # _atom_sites.entry_id UNNAMED _atom_sites.fract_transf_matrix[1][1] 0.011023 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.003804 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.043354 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.021859 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # _cell.length_a 90.722 _cell.length_b 23.066 _cell.length_c 48.395 _cell.angle_alpha 90.000 _cell.angle_beta 109.040 _cell.angle_gamma 90.000 _cell.entry_id UNNAMED # _data_extraction.extraction_date 'Mon Dec 23 07:23:24 2019' # loop_ _database_2.database_id _database_2.database_code PDB UNNAMED WWPDB UNNAMED # _database_PDB_remark.id 1 _database_PDB_remark.text ; REMARK Date 2019-12-23 Time 22:53:38 IST +0530 (1577121818.81 s) REMARK PHENIX refinement REMARK REMARK ****************** INPUT FILES AND LABELS ****************************** REMARK Reflections: REMARK file name : /backup/Puja/JC/GB1vV/process/23122019_XDS_ASCII_scaled1.mtz REMARK labels : ['IMEAN_XDSdataset,SIGIMEAN_XDSdataset'] REMARK R-free flags: REMARK file name : /backup/Puja/JC/GB1vV/process/23122019_XDS_ASCII_scaled1.mtz REMARK label : FreeR_flag REMARK test_flag_value: 0 REMARK Model file name(s): REMARK /backup/Puja/JC/GB1vV/process/solvent_103.pdb REMARK /backup/Puja/JC/GB1vV/process/GB1vV_phenix_refine_103-coot-1.pdb REMARK REMARK ******************** REFINEMENT SUMMARY: QUICK FACTS ******************* REMARK Start: r_work = 0.2888 r_free = 0.3313 bonds = 0.009 angles = 0.996 REMARK Final: r_work = 0.2780 r_free = 0.3281 bonds = 0.006 angles = 0.743 REMARK ************************************************************************ REMARK REMARK ****************** REFINEMENT STATISTICS STEP BY STEP ****************** REMARK leading digit, like 1_, means number of macro-cycle REMARK 0 : statistics at the very beginning when nothing is done yet REMARK 1_bss: bulk solvent correction and/or (anisotropic) scaling REMARK 1_xyz: refinement of coordinates REMARK 1_adp: refinement of ADPs (Atomic Displacement Parameters) REMARK 1_occ: refinement of occupancies REMARK ------------------------------------------------------------------------ REMARK stage r-work r-free bonds angles b_min b_max b_ave n_water shift REMARK 0 : 0.3807 0.4215 0.009 1.00 9.4 46.7 21.7 31 0.000 REMARK 1_bss: 0.2888 0.3313 0.009 1.00 7.4 44.8 19.7 31 0.000 REMARK 1_settarget: 0.2888 0.3313 0.009 1.00 7.4 44.8 19.7 31 0.000 REMARK 1_nqh: 0.2888 0.3313 0.009 1.00 7.4 44.8 19.7 31 0.000 REMARK 1_weight: 0.2888 0.3313 0.009 1.00 7.4 44.8 19.7 31 0.000 REMARK 1_xyzrec: 0.2632 0.3184 0.006 0.78 7.4 44.8 19.7 31 0.109 REMARK 1_adp: 0.2580 0.3162 0.006 0.78 7.9 45.8 20.6 31 0.109 REMARK 2_bss: 0.2579 0.3163 0.006 0.78 7.9 45.8 20.6 31 0.109 REMARK 2_settarget: 0.2579 0.3163 0.006 0.78 7.9 45.8 20.6 31 0.109 REMARK 2_updatecdl: 0.2579 0.3163 0.006 0.78 7.9 45.8 20.6 31 0.109 REMARK 2_nqh: 0.2579 0.3163 0.006 0.78 7.9 45.8 20.6 31 0.109 REMARK 2_realsrl: 0.2579 0.3207 0.011 0.80 7.9 45.8 20.6 31 0.112 REMARK 2_weight: 0.2579 0.3207 0.011 0.80 7.9 45.8 20.6 31 0.112 REMARK 2_xyzrec: 0.2725 0.3298 0.006 0.74 7.9 45.8 20.6 31 0.059 REMARK 2_realsrl2: 0.2725 0.3298 0.006 0.74 7.9 45.8 20.6 31 0.059 REMARK 2_adp: 0.2783 0.3281 0.006 0.74 9.0 48.4 21.0 31 0.059 REMARK end: 0.2780 0.3281 0.006 0.74 9.0 48.4 21.0 31 0.059 REMARK ------------------------------------------------------------------------ REMARK MODEL CONTENT. REMARK ELEMENT ATOM RECORD COUNT OCCUPANCY SUM REMARK C 541 541.00 REMARK O 223 223.00 REMARK N 131 131.00 REMARK TOTAL 895 895.00 REMARK ----------------------------------------------------------------------- REMARK r_free_flags.md5.hexdigest 7c7ffc3f5fa16235048698c03393af7d REMARK REMARK IF THIS FILE IS FOR PDB DEPOSITION: REMOVE ALL FROM THIS LINE UP. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.10.1_2155: ???) REMARK 3 AUTHORS : Adams,Afonine,Bunkoczi,Burnley,Chen,Dar,Davis, REMARK 3 : Draizen,Echols,Gildea,Gros,Grosse-Kunstleve,Headd, REMARK 3 : Hintze,Hung,Ioerger,McCoy,McKee,Moriarty,Oeffner, REMARK 3 : Read,Richardson,Richardson,Sacchettini,Sauter, REMARK 3 : Sobolev,Storoni,Terwilliger,Williams,Zwart REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.843 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 23.636 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.38 REMARK 3 COMPLETENESS FOR RANGE (%) : 94.83 REMARK 3 NUMBER OF REFLECTIONS : 8045 REMARK 3 NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 8045 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.2805 REMARK 3 R VALUE (WORKING SET) : 0.2780 REMARK 3 FREE R VALUE : 0.3281 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.87 REMARK 3 FREE R VALUE TEST SET COUNT : 392 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE CCWORK CCFREE REMARK 3 1 23.6381 - 2.6575 0.97 2675 135 0.2481 0.2943 0.939 0.910 REMARK 3 2 2.6575 - 2.1098 0.96 2553 140 0.3128 0.3518 0.860 0.842 REMARK 3 3 2.1098 - 1.8432 0.91 2425 117 0.3216 0.3989 0.860 0.787 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 GRID STEP FACTOR : 4.00 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.25 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 45.48 REMARK 3 REMARK 3 STRUCTURE FACTORS CALCULATION ALGORITHM : FFT REMARK 3 REMARK 3 RESTRAINTS LIBRARY REMARK 3 GEOSTD + MON.LIB. + CDL v1.2 REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD MAX COUNT REMARK 3 BOND : 0.006 0.035 876 REMARK 3 ANGLE : 0.743 4.577 1196 REMARK 3 CHIRALITY : 0.045 0.175 144 REMARK 3 PLANARITY : 0.003 0.009 154 REMARK 3 DIHEDRAL : 15.361 178.088 502 REMARK 3 MIN NONBONDED DISTANCE : 1.987 REMARK 3 REMARK 3 MOLPROBITY STATISTICS. REMARK 3 ALL-ATOM CLASHSCORE : 2.39 REMARK 3 RAMACHANDRAN PLOT: REMARK 3 OUTLIERS : 1.85 % REMARK 3 ALLOWED : 0.93 % REMARK 3 FAVORED : 97.22 % REMARK 3 ROTAMER OUTLIERS : 0.00 % REMARK 3 CBETA DEVIATIONS : 2 REMARK 3 REMARK 3 ATOMIC DISPLACEMENT PARAMETERS. REMARK 3 WILSON B : 17.64 REMARK 3 RMS(B_ISO_OR_EQUIVALENT_BONDED) : 2.96 REMARK 3 ATOMS NUMBER OF ATOMS REMARK 3 ISO. ANISO. REMARK 3 ALL : 895 0 REMARK 3 ALL (NO H) : 895 0 REMARK 3 SOLVENT : 31 0 REMARK 3 NON-SOLVENT : 864 0 REMARK 3 HYDROGENS : 0 0 REMARK 3 ; # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id ? _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type ? # _entity_poly.entity_id 1 _entity_poly.pdbx_seq_one_letter_code 'DTYKLILNG(DVA)VLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE' _entity_poly.pdbx_strand_id A,B _entity_poly.type 'polypeptide(L)' _entity_poly.pdbx_target_identifier ? # _entry.id UNNAMED # _exptl.crystals_number 1 _exptl.entry_id UNNAMED _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.pdbx_mosaicity 0.240 _exptl_crystal.pdbx_mosaicity_esd ? _exptl_crystal.density_Matthews ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_percent_sol ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? # _refine.entry_id UNNAMED _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_d_res_high 1.8430 _refine.ls_d_res_low 23.6360 _refine.pdbx_ls_sigma_F 1.380 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 94.8300 _refine.ls_number_reflns_obs 8045 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.ls_matrix_type ? _refine.pdbx_R_Free_selection_details ? _refine.details ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2805 _refine.ls_R_factor_R_work 0.2780 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.3281 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 4.8700 _refine.ls_number_reflns_R_free 392 _refine.ls_number_reflns_R_work 7653 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 20.9694 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.2500 _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.1100 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 46.490 _refine.B_iso_min 8.960 _refine.pdbx_overall_phase_error 45.4800 _refine.occupancy_max ? _refine.occupancy_min ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 1.84 _refine_hist.d_res_low 23.64 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 29 _refine_hist.number_atoms_total 893 _refine_hist.pdbx_number_residues_total 112 _refine_hist.pdbx_B_iso_mean_solvent 25.22 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' f_bond_d 876 0.006 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 1196 0.743 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 144 0.045 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 154 0.003 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 502 15.361 ? ? ? # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.pdbx_refine_id 1.8432 2.1098 3 91.0000 2425 ? 0.3216 0.3989 ? 117 0.0000 2542 ? 'X-RAY DIFFRACTION' 2.1098 2.6575 3 96.0000 2553 ? 0.3128 0.3518 ? 140 0.0000 2693 ? 'X-RAY DIFFRACTION' 2.6575 23.6381 3 97.0000 2675 ? 0.2481 0.2943 ? 135 0.0000 2810 ? 'X-RAY DIFFRACTION' # _reflns.entry_id UNNAMED _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 38.090 _reflns.d_resolution_high 1.840 _reflns.number_obs 8079 _reflns.number_all ? _reflns.percent_possible_obs 96.000 _reflns.pdbx_Rmerge_I_obs 0.020 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 36.300 _reflns.B_iso_Wilson_estimate 17.640 _reflns.pdbx_redundancy 4.000 _reflns.pdbx_Rrim_I_all 0.023 _reflns.pdbx_Rpim_I_all 0.011 _reflns.pdbx_CC_half 1.000 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_number_measured_all 32240 _reflns.pdbx_scaling_rejects ? _reflns.pdbx_chi_squared ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.details ? # loop_ _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_ordinal _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.pdbx_rejects _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.meanI_over_sigI_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_number_anomalous 1 1 1.840 1.880 ? 1302 402 ? 0.057 ? ? ? 3.200 ? 13.800 ? ? ? ? ? ? 78.900 0.068 0.036 0.998 ? 1 2 9.030 38.090 ? 279 84 ? 0.010 ? ? ? 3.300 ? 45.600 ? ? ? ? ? ? 95.700 0.012 0.006 1.000 ? # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language 1 Aimless 0.5.21 10/12/15 program 'Phil Evans' ? 'data scaling' http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ? 2 PHENIX 1.10.1_2155 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ 3 PDB_EXTRACT 3.25 'Apr. 1, 2019' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ # _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.entry_id UNNAMED _symmetry.Int_Tables_number 5 #