data_5txs_1 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A ? 1 ? -51.974 59.550 64.220 1.0 17.04 1 C 1 ATOM 2 C CA . ALA A ? 1 ? -51.128 60.550 63.496 1.0 19.12 1 C 1 ATOM 3 C C . ALA A ? 1 ? -49.700 60.529 63.981 1.0 16.36 1 C 1 ATOM 4 O O . ALA A ? 1 ? -49.429 60.282 65.168 1.0 15.11 1 C 1 ATOM 5 C CB . ALA A ? 1 ? -51.716 61.944 63.663 1.0 21.66 1 C 1 ATOM 6 H HA . ALA A ? 1 ? -51.127 60.336 62.550 1.0 22.95 1 C 1 ATOM 7 H HB1 . ALA A ? 1 ? -51.157 62.580 63.189 1.0 25.99 1 C 1 ATOM 8 H HB2 . ALA A ? 1 ? -52.614 61.953 63.296 1.0 25.99 1 C 1 ATOM 9 H HB3 . ALA A ? 1 ? -51.742 62.164 64.607 1.0 25.99 1 C 1 ATOM 10 H H1 . ALA A ? 1 ? -52.821 59.823 64.220 1.0 20.45 1 C 1 ATOM 11 H H2 . ALA A ? 1 ? -51.917 58.762 63.810 1.0 20.45 1 C 1 ATOM 12 H H3 . ALA A ? 1 ? -51.687 59.470 65.058 1.0 20.45 1 C 1 ATOM 13 N N . GLN A ? 2 ? -48.768 60.797 63.063 1.0 14.46 2 C 1 ATOM 14 C CA . GLN A ? 2 ? -47.344 60.754 63.384 1.0 12.94 2 C 1 ATOM 15 C C . GLN A ? 2 ? -46.868 61.854 64.288 1.0 15.24 2 C 1 ATOM 16 O O . GLN A ? 2 ? -47.446 62.919 64.333 1.0 15.35 2 C 1 ATOM 17 C CB . GLN A ? 2 ? -46.519 60.834 62.092 1.0 13.69 2 C 1 ATOM 18 C CG . GLN A ? 2 ? -46.675 59.604 61.217 1.0 15.31 2 C 1 ATOM 19 C CD . GLN A ? 2 ? -46.150 59.835 59.816 1.0 20.24 2 C 1 ATOM 20 N NE2 . GLN A ? 2 ? -44.943 59.409 59.576 1.0 15.29 2 C 1 ATOM 21 O OE1 . GLN A ? 2 ? -46.832 60.421 58.959 1.0 22.23 2 C 1 ATOM 22 H H . GLN A ? 2 ? -48.937 61.006 62.246 1.0 17.35 2 C 1 ATOM 23 H HA . GLN A ? 2 ? -47.145 59.907 63.814 1.0 15.53 2 C 1 ATOM 24 H HB2 . GLN A ? 2 ? -46.810 61.605 61.580 1.0 16.43 2 C 1 ATOM 25 H HB3 . GLN A ? 2 ? -45.581 60.923 62.321 1.0 16.43 2 C 1 ATOM 26 H HG2 . GLN A ? 2 ? -46.176 58.869 61.609 1.0 18.38 2 C 1 ATOM 27 H HG3 . GLN A ? 2 ? -47.615 59.374 61.153 1.0 18.38 2 C 1 ATOM 28 H HE21 . GLN A ? 2 ? -44.491 59.023 60.197 1.0 18.35 2 C 1 ATOM 29 H HE22 . GLN A ? 2 ? -44.597 59.517 58.796 1.0 18.35 2 C 1 ATOM 30 N N . ASP A ? 3 ? -45.749 61.607 64.958 1.0 11.84 3 C 1 ATOM 31 C CA . ASP A ? 3 ? -44.994 62.701 65.553 1.0 14.4 3 C 1 ATOM 32 C C . ASP A ? 3 ? -44.262 63.466 64.434 1.0 17.53 3 C 1 ATOM 33 O O . ASP A ? 3 ? -44.026 62.921 63.350 1.0 16.0 3 C 1 ATOM 34 C CB . ASP A ? 3 ? -44.022 62.148 66.587 1.0 16.47 3 C 1 ATOM 35 C CG . ASP A ? 3 ? -43.440 63.236 67.496 1.0 22.35 3 C 1 ATOM 36 O OD1 . ASP A ? 3 ? -44.025 64.322 67.566 1.0 21.22 3 C 1 ATOM 37 O OD2 . ASP A ? 3 ? -42.395 62.990 68.129 1.0 22.61 3 C 1 ATOM 38 H H . ASP A ? 3 ? -45.410 60.827 65.082 1.0 14.21 3 C 1 ATOM 39 H HA . ASP A ? 3 ? -45.602 63.312 65.997 1.0 17.28 3 C 1 ATOM 40 H HB2 . ASP A ? 3 ? -44.487 61.508 67.147 1.0 19.76 3 C 1 ATOM 41 H HB3 . ASP A ? 3 ? -43.285 61.715 66.128 1.0 19.76 3 C 1 ATOM 42 N N . ILE A ? 4 ? -43.917 64.726 64.690 1.0 16.47 4 C 1 ATOM 43 C CA . ILE A ? 4 ? -43.162 65.498 63.699 1.0 17.76 4 C 1 ATOM 44 C C . ILE A ? 4 ? -41.695 65.157 63.727 1.0 18.61 4 C 1 ATOM 45 O O . ILE A ? 4 ? -41.185 64.664 64.717 1.0 18.51 4 C 1 ATOM 46 C CB . ILE A ? 4 ? -43.328 67.009 63.908 1.0 21.05 4 C 1 ATOM 47 C CG1 . ILE A ? 4 ? -42.814 67.469 65.272 1.0 29.19 4 C 1 ATOM 48 C CG2 . ILE A ? 4 ? -44.785 67.389 63.770 1.0 32.67 4 C 1 ATOM 49 C CD1 . ILE A ? 4 ? -42.661 68.972 65.331 1.0 33.55 4 C 1 ATOM 50 H H . ILE A ? 4 ? -44.102 65.151 65.415 1.0 19.76 4 C 1 ATOM 51 H HA . ILE A ? 4 ? -43.499 65.283 62.815 1.0 21.32 4 C 1 ATOM 52 H HB . ILE A ? 4 ? -42.824 67.471 63.220 1.0 25.26 4 C 1 ATOM 53 H HG12 . ILE A ? 4 ? -43.445 67.200 65.958 1.0 35.03 4 C 1 ATOM 54 H HG13 . ILE A ? 4 ? -41.946 67.068 65.438 1.0 35.03 4 C 1 ATOM 55 H HG21 . ILE A ? 4 ? -44.875 68.346 63.905 1.0 39.2 4 C 1 ATOM 56 H HG22 . ILE A ? 4 ? -45.091 67.150 62.881 1.0 39.2 4 C 1 ATOM 57 H HG23 . ILE A ? 4 ? -45.300 66.911 64.438 1.0 39.2 4 C 1 ATOM 58 H HD11 . ILE A ? 4 ? -42.334 69.223 66.209 1.0 40.26 4 C 1 ATOM 59 H HD12 . ILE A ? 4 ? -42.029 69.252 64.651 1.0 40.26 4 C 1 ATOM 60 H HD13 . ILE A ? 4 ? -43.525 69.384 65.170 1.0 40.26 4 C 1 ATOM 61 N N . TYR A ? 5 ? -41.010 65.401 62.623 1.0 18.72 5 C 1 ATOM 62 C CA . TYR A ? 5 ? -39.556 65.360 62.630 1.0 18.22 5 C 1 ATOM 63 C C . TYR A ? 5 ? -38.958 66.490 63.452 1.0 19.79 5 C 1 ATOM 64 O O . TYR A ? 5 ? -39.373 67.653 63.301 1.0 19.75 5 C 1 ATOM 65 C CB . TYR A ? 5 ? -39.000 65.450 61.204 1.0 19.11 5 C 1 ATOM 66 C CG . TYR A ? 5 ? -37.498 65.701 61.235 1.0 18.04 5 C 1 ATOM 67 C CD1 . TYR A ? 5 ? -36.607 64.655 61.463 1.0 22.98 5 C 1 ATOM 68 C CD2 . TYR A ? 5 ? -36.972 66.985 61.067 1.0 23.92 5 C 1 ATOM 69 C CE1 . TYR A ? 5 ? -35.258 64.864 61.500 1.0 24.73 5 C 1 ATOM 70 C CE2 . TYR A ? 5 ? -35.608 67.206 61.128 1.0 26.12 5 C 1 ATOM 71 C CZ . TYR A ? 5 ? -34.759 66.138 61.338 1.0 26.0 5 C 1 ATOM 72 O OH . TYR A ? 5 ? -33.406 66.346 61.393 1.0 23.22 5 C 1 ATOM 73 H H . TYR A ? 5 ? -41.358 65.592 61.861 1.0 22.46 5 C 1 ATOM 74 H HA . TYR A ? 5 ? -39.265 64.519 63.017 1.0 21.87 5 C 1 ATOM 75 H HB2 . TYR A ? 5 ? -39.162 64.614 60.739 1.0 22.94 5 C 1 ATOM 76 H HB3 . TYR A ? 5 ? -39.425 66.187 60.737 1.0 22.94 5 C 1 ATOM 77 H HD1 . TYR A ? 5 ? -36.937 63.793 61.574 1.0 27.57 5 C 1 ATOM 78 H HD2 . TYR A ? 5 ? -37.548 67.702 60.928 1.0 28.7 5 C 1 ATOM 79 H HE1 . TYR A ? 5 ? -34.680 64.152 61.653 1.0 29.67 5 C 1 ATOM 80 H HE2 . TYR A ? 5 ? -35.266 68.062 61.009 1.0 31.35 5 C 1 ATOM 81 H HH . TYR A ? 5 ? -33.009 65.618 61.528 1.0 27.86 5 C 1 ATOM 82 N N . ARG A ? 6 ? -37.965 66.163 64.287 1.0 14.64 6 C 1 ATOM 83 C CA . ARG A ? 6 ? -37.201 67.181 65.003 1.0 18.23 6 C 1 ATOM 84 C C . ARG A ? 6 ? -35.691 66.990 64.966 1.0 21.41 6 C 1 ATOM 85 O O . ARG A ? 6 ? -34.981 67.997 64.913 1.0 21.66 6 C 1 ATOM 86 C CB . ARG A ? 6 ? -37.631 67.267 66.477 1.0 19.79 6 C 1 ATOM 87 C CG . ARG A ? 6 ? -39.065 67.730 66.713 1.0 20.15 6 C 1 ATOM 88 C CD . ARG A ? 6 ? -39.378 67.732 68.213 1.0 17.87 6 C 1 ATOM 89 N NE . ARG A ? 6 ? -39.171 66.392 68.754 1.0 20.72 6 C 1 ATOM 90 C CZ . ARG A ? 6 ? -40.117 65.464 68.892 1.0 18.63 6 C 1 ATOM 91 N NH1 . ARG A ? 6 ? -41.364 65.710 68.547 1.0 24.03 6 C 1 ATOM 92 N NH2 . ARG A ? 6 ? -39.793 64.252 69.341 1.0 17.89 6 C 1 ATOM 93 H H . ARG A ? 6 ? -37.716 65.357 64.452 1.0 17.57 6 C 1 ATOM 94 H HA . ARG A ? 6 ? -37.391 68.042 64.597 1.0 21.88 6 C 1 ATOM 95 H HB2 . ARG A ? 6 ? -37.539 66.387 66.875 1.0 23.75 6 C 1 ATOM 96 H HB3 . ARG A ? 6 ? -37.044 67.891 66.932 1.0 23.75 6 C 1 ATOM 97 H HG2 . ARG A ? 6 ? -39.175 68.631 66.373 1.0 24.18 6 C 1 ATOM 98 H HG3 . ARG A ? 6 ? -39.678 67.122 66.271 1.0 24.18 6 C 1 ATOM 99 H HD2 . ARG A ? 6 ? -38.783 68.347 68.669 1.0 21.45 6 C 1 ATOM 100 H HD3 . ARG A ? 6 ? -40.304 67.984 68.353 1.0 21.45 6 C 1 ATOM 101 H HE . ARG A ? 6 ? -38.375 66.185 69.005 1.0 24.87 6 C 1 ATOM 102 H HH11 . ARG A ? 6 ? -41.580 66.483 68.238 1.0 28.84 6 C 1 ATOM 103 H HH12 . ARG A ? 6 ? -41.964 65.102 68.643 1.0 28.84 6 C 1 ATOM 104 H HH21 . ARG A ? 6 ? -38.983 64.083 69.574 1.0 21.47 6 C 1 ATOM 105 H HH22 . ARG A ? 6 ? -40.404 63.656 69.447 1.0 21.47 6 C 1 ATOM 106 N N . ALA A ? 7 ? -35.194 65.743 64.986 1.0 18.79 7 C 1 ATOM 107 C CA . ALA A ? 7 ? -33.755 65.492 65.173 1.0 17.44 7 C 1 ATOM 108 C C . ALA A ? 7 ? -33.313 64.269 64.381 1.0 13.24 7 C 1 ATOM 109 O O . ALA A ? 7 ? -33.966 63.238 64.434 1.0 15.7 7 C 1 ATOM 110 C CB . ALA A ? 7 ? -33.425 65.285 66.660 1.0 23.7 7 C 1 ATOM 111 H H . ALA A ? 7 ? -35.666 65.031 64.893 1.0 22.55 7 C 1 ATOM 112 H HA . ALA A ? 7 ? -33.253 66.258 64.854 1.0 20.93 7 C 1 ATOM 113 H HB1 . ALA A ? 7 ? -32.473 65.123 66.752 1.0 28.44 7 C 1 ATOM 114 H HB2 . ALA A ? 7 ? -33.673 66.084 67.152 1.0 28.44 7 C 1 ATOM 115 H HB3 . ALA A ? 7 ? -33.925 64.524 66.991 1.0 28.44 7 C 1 ATOM 116 N N A SER A ? 8 ? -32.198 64.398 63.674 0.34 18.02 8 C 1 ATOM 117 N N B SER A ? 8 ? -32.214 64.400 63.645 0.66 18.85 8 C 1 ATOM 118 C CA A SER A ? 8 ? -31.590 63.271 62.997 0.34 15.26 8 C 1 ATOM 119 C CA B SER A ? 8 ? -31.622 63.263 62.967 0.66 12.83 8 C 1 ATOM 120 C C A SER A ? 8 ? -30.750 62.468 63.982 0.34 16.54 8 C 1 ATOM 121 C C B SER A ? 8 ? -30.833 62.444 63.995 0.66 15.75 8 C 1 ATOM 122 O O A SER A ? 8 ? -30.432 62.959 65.066 0.34 17.71 8 C 1 ATOM 123 O O B SER A ? 8 ? -30.647 62.903 65.126 0.66 16.28 8 C 1 ATOM 124 C CB A SER A ? 8 ? -30.744 63.759 61.833 0.34 18.22 8 C 1 ATOM 125 C CB B SER A ? 8 ? -30.741 63.722 61.813 0.66 18.57 8 C 1 ATOM 126 O OG A SER A ? 8 ? -31.578 64.386 60.879 0.34 11.44 8 C 1 ATOM 127 O OG B SER A ? 8 ? -29.878 64.750 62.212 0.66 28.23 8 C 1 ATOM 128 H H A SER A ? 8 ? -31.773 65.139 63.572 0.34 21.63 8 C 1 ATOM 129 H H B SER A ? 8 ? -31.794 65.141 63.524 0.66 22.62 8 C 1 ATOM 130 H HA A SER A ? 8 ? -32.286 62.692 62.647 0.34 18.31 8 C 1 ATOM 131 H HA B SER A ? 8 ? -32.328 62.702 62.607 0.66 15.39 8 C 1 ATOM 132 H HB2 A SER A ? 8 ? -30.090 64.398 62.157 0.34 21.86 8 C 1 ATOM 133 H HB2 B SER A ? 8 ? -30.212 62.970 61.503 0.66 22.28 8 C 1 ATOM 134 H HB3 A SER A ? 8 ? -30.299 63.002 61.419 0.34 21.86 8 C 1 ATOM 135 H HB3 B SER A ? 8 ? -31.306 64.047 61.094 0.66 22.28 8 C 1 ATOM 136 H HG A SER A ? 8 ? -31.118 64.659 60.232 0.34 13.73 8 C 1 ATOM 137 H HG B SER A ? 8 ? -30.322 65.409 62.483 0.66 33.87 8 C 1 ATOM 138 N N . TYR A ? 9 ? -30.410 61.238 63.613 1.0 17.04 9 C 1 ATOM 139 C CA . TYR A ? 9 ? -29.525 60.388 64.453 1.0 13.84 9 C 1 ATOM 140 C C . TYR A ? 9 ? -28.043 60.883 64.506 1.0 15.99 9 C 1 ATOM 141 O O . TYR A ? 9 ? -27.709 61.750 63.616 1.0 17.65 9 C 1 ATOM 142 C CB . TYR A ? 9 ? -29.581 58.973 63.914 1.0 13.3 9 C 1 ATOM 143 C CG . TYR A ? 9 ? -30.917 58.256 64.087 1.0 13.63 9 C 1 ATOM 144 C CD1 . TYR A ? 9 ? -31.031 57.154 64.948 1.0 11.95 9 C 1 ATOM 145 C CD2 . TYR A ? 9 ? -32.060 58.655 63.370 1.0 12.88 9 C 1 ATOM 146 C CE1 . TYR A ? 9 ? -32.229 56.502 65.093 1.0 12.52 9 C 1 ATOM 147 C CE2 . TYR A ? 9 ? -33.235 57.998 63.512 1.0 13.02 9 C 1 ATOM 148 C CZ . TYR A ? 9 ? -33.324 56.930 64.367 1.0 11.71 9 C 1 ATOM 149 O OH . TYR A ? 9 ? -34.512 56.274 64.478 1.0 14.82 9 C 1 ATOM 150 H H A TYR A ? 9 ? -30.670 60.860 62.885 0.34 20.44 9 C 1 ATOM 151 H H B TYR A ? 9 ? -30.620 60.874 62.863 0.66 20.44 9 C 1 ATOM 152 H HA . TYR A ? 9 ? -29.868 60.377 65.360 1.0 16.6 9 C 1 ATOM 153 H HB2 . TYR A ? 9 ? -29.385 59.000 62.964 1.0 15.96 9 C 1 ATOM 154 H HB3 . TYR A ? 9 ? -28.906 58.445 64.368 1.0 15.96 9 C 1 ATOM 155 H HD1 . TYR A ? 9 ? -30.290 56.869 65.432 1.0 14.33 9 C 1 ATOM 156 H HD2 . TYR A ? 9 ? -32.005 59.376 62.787 1.0 15.46 9 C 1 ATOM 157 H HE1 . TYR A ? 9 ? -32.300 55.770 65.662 1.0 15.02 9 C 1 ATOM 158 H HE2 . TYR A ? 9 ? -33.982 58.271 63.031 1.0 15.62 9 C 1 ATOM 159 H HH . TYR A ? 9 ? -34.437 55.634 65.018 1.0 17.78 9 C 1 #