data_4j4m-assembly-2 # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num _atom_site.pdbe_label_seq_id _atom_site.orig_label_asym_id _atom_site.orig_auth_asym_id ATOM 1 N N . ARG B 1 3 ? 21.306 19.120 -18.282 1.0 38.28 ? 4 ARG B N 1 3 . B ATOM 2 C CA . ARG B 1 3 ? 20.404 20.262 -17.973 1.0 37.19 ? 4 ARG B CA 1 3 . B ATOM 3 C C . ARG B 1 3 ? 21.052 21.238 -16.994 1.0 35.93 ? 4 ARG B C 1 3 . B ATOM 4 O O . ARG B 1 3 ? 20.902 22.456 -17.124 1.0 35.28 ? 4 ARG B O 1 3 . B ATOM 5 C CB . ARG B 1 3 ? 19.089 19.746 -17.378 1.0 38.57 ? 4 ARG B CB 1 3 . B ATOM 6 C CG . ARG B 1 3 ? 18.165 20.845 -16.874 1.0 38.75 ? 4 ARG B CG 1 3 . B ATOM 7 C CD . ARG B 1 3 ? 16.924 20.273 -16.198 1.0 39.06 ? 4 ARG B CD 1 3 . B ATOM 8 N NE . ARG B 1 3 ? 16.072 21.328 -15.650 1.0 39.48 ? 4 ARG B NE 1 3 . B ATOM 9 C CZ . ARG B 1 3 ? 14.902 21.117 -15.056 1.0 39.4 ? 4 ARG B CZ 1 3 . B ATOM 10 N NH1 . ARG B 1 3 ? 14.434 19.881 -14.929 1.0 39.74 ? 4 ARG B NH1 1 3 . B ATOM 11 N NH2 . ARG B 1 3 ? 14.200 22.140 -14.588 1.0 38.13 ? 4 ARG B NH2 1 3 . B ATOM 12 N N . PHE B 1 4 ? 21.782 20.705 -16.020 1.0 33.56 ? 5 PHE B N 1 4 . B ATOM 13 C CA . PHE B 1 4 ? 22.419 21.553 -15.019 1.0 31.13 ? 5 PHE B CA 1 4 . B ATOM 14 C C . PHE B 1 4 ? 23.927 21.708 -15.156 1.0 29.83 ? 5 PHE B C 1 4 . B ATOM 15 O O . PHE B 1 4 ? 24.631 20.785 -15.571 1.0 28.76 ? 5 PHE B O 1 4 . B ATOM 16 C CB . PHE B 1 4 ? 22.103 21.033 -13.614 1.0 30.02 ? 5 PHE B CB 1 4 . B ATOM 17 C CG . PHE B 1 4 ? 20.638 21.017 -13.288 1.0 29.75 ? 5 PHE B CG 1 4 . B ATOM 18 C CD1 . PHE B 1 4 ? 19.927 19.826 -13.288 1.0 28.99 ? 5 PHE B CD1 1 4 . B ATOM 19 C CD2 . PHE B 1 4 ? 19.971 22.196 -12.973 1.0 29.79 ? 5 PHE B CD2 1 4 . B ATOM 20 C CE1 . PHE B 1 4 ? 18.568 19.806 -12.974 1.0 29.86 ? 5 PHE B CE1 1 4 . B ATOM 21 C CE2 . PHE B 1 4 ? 18.613 22.187 -12.658 1.0 30.39 ? 5 PHE B CE2 1 4 . B ATOM 22 C CZ . PHE B 1 4 ? 17.911 20.989 -12.659 1.0 29.13 ? 5 PHE B CZ 1 4 . B ATOM 23 N N . PRO B 1 5 ? 24.444 22.893 -14.797 1.0 28.38 ? 6 PRO B N 1 5 . B ATOM 24 C CA . PRO B 1 5 ? 25.881 23.155 -14.876 1.0 28.63 ? 6 PRO B CA 1 5 . B ATOM 25 C C . PRO B 1 5 ? 26.573 22.380 -13.761 1.0 28.16 ? 6 PRO B C 1 5 . B ATOM 26 O O . PRO B 1 5 ? 25.944 22.032 -12.757 1.0 27.45 ? 6 PRO B O 1 5 . B ATOM 27 C CB . PRO B 1 5 ? 25.966 24.664 -14.680 1.0 28.92 ? 6 PRO B CB 1 5 . B ATOM 28 C CG . PRO B 1 5 ? 24.840 24.928 -13.726 1.0 29.99 ? 6 PRO B CG 1 5 . B ATOM 29 C CD . PRO B 1 5 ? 23.720 24.075 -14.297 1.0 28.64 ? 6 PRO B CD 1 5 . B ATOM 30 N N . GLN B 1 6 ? 27.862 22.117 -13.932 1.0 27.61 ? 7 GLN B N 1 6 . B ATOM 31 C CA . GLN B 1 6 ? 28.618 21.368 -12.936 1.0 26.13 ? 7 GLN B CA 1 6 . B ATOM 32 C C . GLN B 1 6 ? 28.739 22.102 -11.611 1.0 25.15 ? 7 GLN B C 1 6 . B ATOM 33 O O . GLN B 1 6 ? 29.137 23.269 -11.561 1.0 24.23 ? 7 GLN B O 1 6 . B ATOM 34 C CB . GLN B 1 6 ? 30.026 21.055 -13.456 1.0 27.84 ? 7 GLN B CB 1 6 . B ATOM 35 C CG . GLN B 1 6 ? 30.873 20.215 -12.501 1.0 30.3 ? 7 GLN B CG 1 6 . B ATOM 36 C CD . GLN B 1 6 ? 30.341 18.798 -12.346 1.0 33.01 ? 7 GLN B CD 1 6 . B ATOM 37 O OE1 . GLN B 1 6 ? 29.880 18.396 -11.268 1.0 32.82 ? 7 GLN B OE1 1 6 . B ATOM 38 N NE2 . GLN B 1 6 ? 30.392 18.034 -13.430 1.0 31.95 ? 7 GLN B NE2 1 6 . B ATOM 39 N N . ARG B 1 7 ? 28.402 21.401 -10.539 1.0 23.36 ? 8 ARG B N 1 7 . B ATOM 40 C CA . ARG B 1 7 ? 28.492 21.955 -9.199 1.0 23.73 ? 8 ARG B CA 1 7 . B ATOM 41 C C . ARG B 1 7 ? 29.113 20.898 -8.297 1.0 22.75 ? 8 ARG B C 1 7 . B ATOM 42 O O . ARG B 1 7 ? 29.149 19.717 -8.644 1.0 23.56 ? 8 ARG B O 1 7 . B ATOM 43 C CB . ARG B 1 7 ? 27.106 22.347 -8.683 1.0 21.65 ? 8 ARG B CB 1 7 . B ATOM 44 C CG . ARG B 1 7 ? 26.531 23.586 -9.365 1.0 21.8 ? 8 ARG B CG 1 7 . B ATOM 45 C CD . ARG B 1 7 ? 27.391 24.816 -9.070 1.0 23.47 ? 8 ARG B CD 1 7 . B ATOM 46 N NE . ARG B 1 7 ? 26.812 26.048 -9.602 1.0 23.3 ? 8 ARG B NE 1 7 . B ATOM 47 C CZ . ARG B 1 7 ? 26.918 26.464 -10.862 1.0 24.84 ? 8 ARG B CZ 1 7 . B ATOM 48 N NH1 . ARG B 1 7 ? 26.342 27.603 -11.231 1.0 24.15 ? 8 ARG B NH1 1 7 . B ATOM 49 N NH2 . ARG B 1 7 ? 27.610 25.761 -11.750 1.0 23.98 ? 8 ARG B NH2 1 7 . B ATOM 50 N N . TYR B 1 8 ? 29.617 21.329 -7.150 1.0 21.86 ? 9 TYR B N 1 8 . B ATOM 51 C CA . TYR B 1 8 ? 30.230 20.408 -6.214 1.0 21.36 ? 9 TYR B CA 1 8 . B ATOM 52 C C . TYR B 1 8 ? 29.759 20.711 -4.808 1.0 21.17 ? 9 TYR B C 1 8 . B ATOM 53 O O . TYR B 1 8 ? 29.550 21.869 -4.458 1.0 21.36 ? 9 TYR B O 1 8 . B ATOM 54 C CB . TYR B 1 8 ? 31.752 20.542 -6.232 1.0 23.13 ? 9 TYR B CB 1 8 . B ATOM 55 C CG . TYR B 1 8 ? 32.369 20.540 -7.607 1.0 23.83 ? 9 TYR B CG 1 8 . B ATOM 56 C CD1 . TYR B 1 8 ? 32.479 21.718 -8.346 1.0 25.5 ? 9 TYR B CD1 1 8 . B ATOM 57 C CD2 . TYR B 1 8 ? 32.870 19.363 -8.160 1.0 25.46 ? 9 TYR B CD2 1 8 . B ATOM 58 C CE1 . TYR B 1 8 ? 33.084 21.723 -9.608 1.0 26.98 ? 9 TYR B CE1 1 8 . B ATOM 59 C CE2 . TYR B 1 8 ? 33.472 19.355 -9.419 1.0 25.92 ? 9 TYR B CE2 1 8 . B ATOM 60 C CZ . TYR B 1 8 ? 33.576 20.537 -10.133 1.0 28.71 ? 9 TYR B CZ 1 8 . B ATOM 61 O OH . TYR B 1 8 ? 34.169 20.531 -11.376 1.0 30.57 ? 9 TYR B OH 1 8 . B ATOM 62 N N . VAL B 1 9 ? 29.576 19.663 -4.016 1.0 20.1 ? 10 VAL B N 1 9 . B ATOM 63 C CA . VAL B 1 9 ? 29.201 19.831 -2.621 1.0 19.99 ? 10 VAL B CA 1 9 . B ATOM 64 C C . VAL B 1 9 ? 30.264 19.052 -1.852 1.0 20.24 ? 10 VAL B C 1 9 . B ATOM 65 O O . VAL B 1 9 ? 30.291 17.820 -1.871 1.0 21.37 ? 10 VAL B O 1 9 . B ATOM 66 C CB . VAL B 1 9 ? 27.791 19.278 -2.307 1.0 20.23 ? 10 VAL B CB 1 9 . B ATOM 67 C CG1 . VAL B 1 9 ? 27.550 19.313 -0.803 1.0 20.9 ? 10 VAL B CG1 1 9 . B ATOM 68 C CG2 . VAL B 1 9 ? 26.732 20.130 -2.999 1.0 20.61 ? 10 VAL B CG2 1 9 . B ATOM 69 N N . MET B 1 10 ? 31.165 19.790 -1.216 1.0 19.72 ? 11 MET B N 1 10 . B ATOM 70 C CA . MET B 1 10 ? 32.252 19.205 -0.444 1.0 20.06 ? 11 MET B CA 1 10 . B ATOM 71 C C . MET B 1 10 ? 31.704 19.110 0.968 1.0 20.03 ? 11 MET B C 1 10 . B ATOM 72 O O . MET B 1 10 ? 31.748 20.056 1.756 1.0 20.73 ? 11 MET B O 1 10 . B ATOM 73 C CB . MET B 1 10 ? 33.475 20.111 -0.558 1.0 21.2 ? 11 MET B CB 1 10 . B ATOM 74 C CG . MET B 1 10 ? 33.837 20.337 -2.029 1.0 24.51 ? 11 MET B CG 1 10 . B ATOM 75 S SD . MET B 1 10 ? 35.082 21.594 -2.355 1.0 36.74 ? 11 MET B SD 1 10 . B ATOM 76 C CE . MET B 1 10 ? 34.019 23.085 -2.588 1.0 27.98 ? 11 MET B CE 1 10 . B ATOM 77 N N . LEU B 1 11 ? 31.173 17.929 1.251 1.0 20.04 ? 12 LEU B N 1 11 . B ATOM 78 C CA . LEU B 1 11 ? 30.491 17.628 2.496 1.0 19.49 ? 12 LEU B CA 1 11 . B ATOM 79 C C . LEU B 1 11 ? 31.280 17.148 3.697 1.0 19.28 ? 12 LEU B C 1 11 . B ATOM 80 O O . LEU B 1 11 ? 32.192 16.336 3.581 1.0 19.98 ? 12 LEU B O 1 11 . B ATOM 81 C CB . LEU B 1 11 ? 29.408 16.588 2.195 1.0 19.16 ? 12 LEU B CB 1 11 . B ATOM 82 C CG . LEU B 1 11 ? 28.460 16.167 3.316 1.0 20.28 ? 12 LEU B CG 1 11 . B ATOM 83 C CD1 . LEU B 1 11 ? 27.508 17.311 3.633 1.0 19.58 ? 12 LEU B CD1 1 11 . B ATOM 84 C CD2 . LEU B 1 11 ? 27.679 14.938 2.863 1.0 20.13 ? 12 LEU B CD2 1 11 . B ATOM 85 N N . ALA B 1 12 ? 30.909 17.651 4.865 1.0 17.23 ? 13 ALA B N 1 12 . B ATOM 86 C CA . ALA B 1 12 ? 31.524 17.188 6.091 1.0 17.05 ? 13 ALA B CA 1 12 . B ATOM 87 C C . ALA B 1 12 ? 30.410 16.457 6.824 1.0 17.5 ? 13 ALA B C 1 12 . B ATOM 88 O O . ALA B 1 12 ? 29.244 16.867 6.786 1.0 17.66 ? 13 ALA B O 1 12 . B ATOM 89 C CB . ALA B 1 12 ? 32.026 18.351 6.933 1.0 17.18 ? 13 ALA B CB 1 12 . B ATOM 90 N N . ILE B 1 13 ? 30.760 15.352 7.459 1.0 17.05 ? 14 ILE B N 1 13 . B ATOM 91 C CA . ILE B 1 13 ? 29.792 14.609 8.233 1.0 17.28 ? 14 ILE B CA 1 13 . B ATOM 92 C C . ILE B 1 13 ? 30.396 14.429 9.607 1.0 18.5 ? 14 ILE B C 1 13 . B ATOM 93 O O . ILE B 1 13 ? 31.591 14.165 9.739 1.0 19.18 ? 14 ILE B O 1 13 . B ATOM 94 C CB . ILE B 1 13 ? 29.483 13.231 7.619 1.0 17.65 ? 14 ILE B CB 1 13 . B ATOM 95 C CG1 . ILE B 1 13 ? 28.659 13.415 6.342 1.0 16.19 ? 14 ILE B CG1 1 13 . B ATOM 96 C CG2 . ILE B 1 13 ? 28.729 12.369 8.632 1.0 16.47 ? 14 ILE B CG2 1 13 . B ATOM 97 C CD1 . ILE B 1 13 ? 28.374 12.133 5.586 1.0 18.57 ? 14 ILE B CD1 1 13 . B ATOM 98 N N . VAL B 1 14 ? 29.570 14.617 10.628 1.0 17.18 ? 15 VAL B N 1 14 . B ATOM 99 C CA . VAL B 1 14 ? 29.993 14.456 12.008 1.0 17.31 ? 15 VAL B CA 1 14 . B ATOM 100 C C . VAL B 1 14 ? 29.068 13.414 12.626 1.0 19.08 ? 15 VAL B C 1 14 . B ATOM 101 O O . VAL B 1 14 ? 27.856 13.602 12.629 1.0 19.54 ? 15 VAL B O 1 14 . B ATOM 102 C CB . VAL B 1 14 ? 29.846 15.780 12.803 1.0 17.99 ? 15 VAL B CB 1 14 . B ATOM 103 C CG1 . VAL B 1 14 ? 30.161 15.543 14.281 1.0 18.25 ? 15 VAL B CG1 1 14 . B ATOM 104 C CG2 . VAL B 1 14 ? 30.763 16.842 12.225 1.0 18.13 ? 15 VAL B CG2 1 14 . B ATOM 105 N N . ALA B 1 15 ? 29.635 12.310 13.114 1.0 18.09 ? 16 ALA B N 1 15 . B ATOM 106 C CA . ALA B 1 15 ? 28.850 11.259 13.768 1.0 19.86 ? 16 ALA B CA 1 15 . B ATOM 107 C C . ALA B 1 15 ? 28.985 11.545 15.264 1.0 19.58 ? 16 ALA B C 1 15 . B ATOM 108 O O . ALA B 1 15 ? 30.100 11.554 15.792 1.0 20.42 ? 16 ALA B O 1 15 . B ATOM 109 C CB . ALA B 1 15 ? 29.428 9.874 13.434 1.0 19.64 ? 16 ALA B CB 1 15 . B ATOM 110 N N . ASP B 1 16 ? 27.868 11.774 15.952 1.0 18.89 ? 17 ASP B N 1 16 . B ATOM 111 C CA . ASP B 1 16 ? 27.953 12.116 17.369 1.0 20.55 ? 17 ASP B CA 1 16 . B ATOM 112 C C . ASP B 1 16 ? 28.261 10.947 18.284 1.0 22.09 ? 17 ASP B C 1 16 . B ATOM 113 O O . ASP B 1 16 ? 28.375 9.803 17.843 1.0 21.48 ? 17 ASP B O 1 16 . B ATOM 114 C CB . ASP B 1 16 ? 26.687 12.859 17.839 1.0 20.4 ? 17 ASP B CB 1 16 . B ATOM 115 C CG . ASP B 1 16 ? 25.452 11.986 17.865 1.0 21.66 ? 17 ASP B CG 1 16 . B ATOM 116 O OD1 . ASP B 1 16 ? 24.378 12.506 18.251 1.0 21.86 ? 17 ASP B OD1 1 16 . B ATOM 117 O OD2 . ASP B 1 16 ? 25.541 10.791 17.511 1.0 22.38 ? 17 ASP B OD2 1 16 . B ATOM 118 N N . HIS B 1 17 ? 28.411 11.246 19.566 1.0 22.24 ? 18 HIS B N 1 17 . B ATOM 119 C CA . HIS B 1 17 ? 28.751 10.223 20.539 1.0 23.09 ? 18 HIS B CA 1 17 . B ATOM 120 C C . HIS B 1 17 ? 27.690 9.141 20.605 1.0 23.24 ? 18 HIS B C 1 17 . B ATOM 121 O O . HIS B 1 17 ? 28.007 7.958 20.792 1.0 23.79 ? 18 HIS B O 1 17 . B ATOM 122 C CB . HIS B 1 17 ? 28.947 10.850 21.918 1.0 24.39 ? 18 HIS B CB 1 17 . B ATOM 123 C CG . HIS B 1 17 ? 29.760 10.001 22.838 1.0 26.58 ? 18 HIS B CG 1 17 . B ATOM 124 N ND1 . HIS B 1 17 ? 31.104 9.772 22.637 1.0 27.97 ? 18 HIS B ND1 1 17 . B ATOM 125 C CD2 . HIS B 1 17 ? 29.413 9.282 23.930 1.0 28.04 ? 18 HIS B CD2 1 17 . B ATOM 126 C CE1 . HIS B 1 17 ? 31.550 8.947 23.566 1.0 29.04 ? 18 HIS B CE1 1 17 . B ATOM 127 N NE2 . HIS B 1 17 ? 30.543 8.635 24.362 1.0 27.29 ? 18 HIS B NE2 1 17 . B ATOM 128 N N . GLY B 1 18 ? 26.436 9.552 20.448 1.0 22.67 ? 19 GLY B N 1 18 . B ATOM 129 C CA . GLY B 1 18 ? 25.326 8.614 20.458 1.0 22.6 ? 19 GLY B CA 1 18 . B ATOM 130 C C . GLY B 1 18 ? 25.488 7.563 19.374 1.0 23.65 ? 19 GLY B C 1 18 . B ATOM 131 O O . GLY B 1 18 ? 25.110 6.403 19.560 1.0 23.11 ? 19 GLY B O 1 18 . B ATOM 132 N N . MET B 1 19 ? 26.039 7.960 18.231 1.0 23.07 ? 20 MET B N 1 19 . B ATOM 133 C CA . MET B 1 19 ? 26.254 7.016 17.139 1.0 23.63 ? 20 MET B CA 1 19 . B ATOM 134 C C . MET B 1 19 ? 27.323 6.007 17.557 1.0 24.09 ? 20 MET B C 1 19 . B ATOM 135 O O . MET B 1 19 ? 27.188 4.801 17.328 1.0 24.05 ? 20 MET B O 1 19 . B ATOM 136 C CB . MET B 1 19 ? 26.710 7.748 15.871 1.0 22.82 ? 20 MET B CB 1 19 . B ATOM 137 C CG . MET B 1 19 ? 25.596 8.445 15.095 1.0 23.09 ? 20 MET B CG 1 19 . B ATOM 138 S SD . MET B 1 19 ? 24.403 7.302 14.376 1.0 22.99 ? 20 MET B SD 1 19 . B ATOM 139 C CE . MET B 1 19 ? 25.382 6.624 12.990 1.0 24.91 ? 20 MET B CE 1 19 . B ATOM 140 N N . VAL B 1 20 ? 28.388 6.510 18.168 1.0 24.31 ? 21 VAL B N 1 20 . B ATOM 141 C CA . VAL B 1 20 ? 29.482 5.656 18.623 1.0 25.17 ? 21 VAL B CA 1 20 . B ATOM 142 C C . VAL B 1 20 ? 28.953 4.606 19.598 1.0 26.7 ? 21 VAL B C 1 20 . B ATOM 143 O O . VAL B 1 20 ? 29.302 3.427 19.508 1.0 27.3 ? 21 VAL B O 1 20 . B ATOM 144 C CB . VAL B 1 20 ? 30.586 6.489 19.311 1.0 23.96 ? 21 VAL B CB 1 20 . B ATOM 145 C CG1 . VAL B 1 20 ? 31.733 5.584 19.753 1.0 24.39 ? 21 VAL B CG1 1 20 . B ATOM 146 C CG2 . VAL B 1 20 ? 31.096 7.549 18.354 1.0 22.16 ? 21 VAL B CG2 1 20 . B ATOM 147 N N . THR B 1 21 ? 28.108 5.036 20.526 1.0 26.3 ? 22 THR B N 1 21 . B ATOM 148 C CA . THR B 1 21 ? 27.533 4.121 21.500 1.0 27.89 ? 22 THR B CA 1 21 . B ATOM 149 C C . THR B 1 21 ? 26.611 3.110 20.818 1.0 27.92 ? 22 THR B C 1 21 . B ATOM 150 O O . THR B 1 21 ? 26.651 1.916 21.122 1.0 27.22 ? 22 THR B O 1 21 . B ATOM 151 C CB . THR B 1 21 ? 26.751 4.890 22.578 1.0 28.99 ? 22 THR B CB 1 21 . B ATOM 152 O OG1 . THR B 1 21 ? 27.656 5.734 23.305 1.0 32.2 ? 22 THR B OG1 1 21 . B ATOM 153 C CG2 . THR B 1 21 ? 26.075 3.925 23.539 1.0 30.44 ? 22 THR B CG2 1 21 . B ATOM 154 N N . LYS B 1 22 ? 25.788 3.589 19.889 1.0 26.55 ? 23 LYS B N 1 22 . B ATOM 155 C CA . LYS B 1 22 ? 24.865 2.718 19.168 1.0 25.74 ? 23 LYS B CA 1 22 . B ATOM 156 C C . LYS B 1 22 ? 25.595 1.600 18.444 1.0 26.28 ? 23 LYS B C 1 22 . B ATOM 157 O O . LYS B 1 22 ? 25.120 0.467 18.410 1.0 25.56 ? 23 LYS B O 1 22 . B ATOM 158 C CB . LYS B 1 22 ? 24.051 3.513 18.147 1.0 24.7 ? 23 LYS B CB 1 22 . B ATOM 159 C CG . LYS B 1 22 ? 23.098 2.658 17.318 1.0 23.08 ? 23 LYS B CG 1 22 . B ATOM 160 C CD . LYS B 1 22 ? 22.214 3.520 16.418 1.0 25.26 ? 23 LYS B CD 1 22 . B ATOM 161 C CE . LYS B 1 22 ? 21.244 2.678 15.598 1.0 24.25 ? 23 LYS B CE 1 22 . B ATOM 162 N NZ . LYS B 1 22 ? 20.417 3.515 14.674 1.0 25.25 ? 23 LYS B NZ 1 22 . B ATOM 163 N N . TYR B 1 23 ? 26.741 1.924 17.852 1.0 26.24 ? 24 TYR B N 1 23 . B ATOM 164 C CA . TYR B 1 23 ? 27.514 0.927 17.130 1.0 27.69 ? 24 TYR B CA 1 23 . B ATOM 165 C C . TYR B 1 23 ? 28.637 0.332 17.973 1.0 28.53 ? 24 TYR B C 1 23 . B ATOM 166 O O . TYR B 1 23 ? 29.744 0.071 17.499 1.0 26.68 ? 24 TYR B O 1 23 . B ATOM 167 C CB . TYR B 1 23 ? 28.013 1.529 15.813 1.0 26.67 ? 24 TYR B CB 1 23 . B ATOM 168 C CG . TYR B 1 23 ? 26.855 1.764 14.863 1.0 25.62 ? 24 TYR B CG 1 23 . B ATOM 169 C CD1 . TYR B 1 23 ? 26.333 0.715 14.104 1.0 26.14 ? 24 TYR B CD1 1 23 . B ATOM 170 C CD2 . TYR B 1 23 ? 26.203 2.997 14.813 1.0 24.46 ? 24 TYR B CD2 1 23 . B ATOM 171 C CE1 . TYR B 1 23 ? 25.193 0.879 13.328 1.0 24.46 ? 24 TYR B CE1 1 23 . B ATOM 172 C CE2 . TYR B 1 23 ? 25.055 3.176 14.039 1.0 23.77 ? 24 TYR B CE2 1 23 . B ATOM 173 C CZ . TYR B 1 23 ? 24.554 2.111 13.299 1.0 25.13 ? 24 TYR B CZ 1 23 . B ATOM 174 O OH . TYR B 1 23 ? 23.417 2.260 12.537 1.0 22.53 ? 24 TYR B OH 1 23 . B ATOM 175 N N . SER B 1 24 ? 28.313 0.131 19.246 1.0 30.67 ? 25 SER B N 1 24 . B ATOM 176 C CA . SER B 1 24 ? 29.200 -0.482 20.225 1.0 33.23 ? 25 SER B CA 1 24 . B ATOM 177 C C . SER B 1 24 ? 30.618 0.061 20.298 1.0 33.31 ? 25 SER B C 1 24 . B ATOM 178 O O . SER B 1 24 ? 31.566 -0.706 20.480 1.0 32.1 ? 25 SER B O 1 24 . B ATOM 179 C CB . SER B 1 24 ? 29.246 -1.991 19.974 1.0 35.67 ? 25 SER B CB 1 24 . B ATOM 180 O OG . SER B 1 24 ? 27.931 -2.526 19.916 1.0 39.74 ? 25 SER B OG 1 24 . B ATOM 181 N N . GLY B 1 25 ? 30.759 1.377 20.164 1.0 31.7 ? 26 GLY B N 1 25 . B ATOM 182 C CA . GLY B 1 25 ? 32.068 2.004 20.239 1.0 31.0 ? 26 GLY B CA 1 25 . B ATOM 183 C C . GLY B 1 25 ? 33.003 1.697 19.083 1.0 31.73 ? 26 GLY B C 1 25 . B ATOM 184 O O . GLY B 1 25 ? 34.197 1.982 19.165 1.0 31.31 ? 26 GLY B O 1 25 . B ATOM 185 N N . ASN B 1 26 ? 32.465 1.140 18.001 1.0 31.21 ? 27 ASN B N 1 26 . B ATOM 186 C CA . ASN B 1 26 ? 33.277 0.781 16.837 1.0 31.88 ? 27 ASN B CA 1 26 . B ATOM 187 C C . ASN B 1 26 ? 33.324 1.871 15.760 1.0 31.55 ? 27 ASN B C 1 26 . B ATOM 188 O O . ASN B 1 26 ? 32.442 1.945 14.909 1.0 31.77 ? 27 ASN B O 1 26 . B ATOM 189 C CB . ASN B 1 26 ? 32.741 -0.518 16.228 1.0 32.08 ? 27 ASN B CB 1 26 . B ATOM 190 C CG . ASN B 1 26 ? 33.688 -1.128 15.213 1.0 35.05 ? 27 ASN B CG 1 26 . B ATOM 191 O OD1 . ASN B 1 26 ? 33.453 -2.232 14.721 1.0 36.11 ? 27 ASN B OD1 1 26 . B ATOM 192 N ND2 . ASN B 1 26 ? 34.765 -0.417 14.897 1.0 35.61 ? 27 ASN B ND2 1 26 . B ATOM 193 N N . SER B 1 27 ? 34.363 2.701 15.790 1.0 31.87 ? 28 SER B N 1 27 . B ATOM 194 C CA . SER B 1 27 ? 34.505 3.772 14.803 1.0 32.08 ? 28 SER B CA 1 27 . B ATOM 195 C C . SER B 1 27 ? 34.752 3.249 13.389 1.0 31.47 ? 28 SER B C 1 27 . B ATOM 196 O O . SER B 1 27 ? 34.442 3.925 12.404 1.0 29.63 ? 28 SER B O 1 27 . B ATOM 197 C CB . SER B 1 27 ? 35.635 4.720 15.204 1.0 32.91 ? 28 SER B CB 1 27 . B ATOM 198 O OG . SER B 1 27 ? 35.237 5.556 16.277 1.0 35.54 ? 28 SER B OG 1 27 . B ATOM 199 N N . SER B 1 28 ? 35.317 2.051 13.281 1.0 30.84 ? 29 SER B N 1 28 . B ATOM 200 C CA . SER B 1 28 ? 35.575 1.472 11.966 1.0 30.66 ? 29 SER B CA 1 28 . B ATOM 201 C C . SER B 1 28 ? 34.239 1.162 11.299 1.0 28.29 ? 29 SER B C 1 28 . B ATOM 202 O O . SER B 1 28 ? 34.064 1.362 10.097 1.0 28.54 ? 29 SER B O 1 28 . B ATOM 203 C CB . SER B 1 28 ? 36.401 0.191 12.100 1.0 32.01 ? 29 SER B CB 1 28 . B ATOM 204 O OG . SER B 1 28 ? 37.626 0.452 12.765 1.0 36.17 ? 29 SER B OG 1 28 . B ATOM 205 N N . ALA B 1 29 ? 33.296 0.678 12.097 1.0 28.0 ? 30 ALA B N 1 29 . B ATOM 206 C CA . ALA B 1 29 ? 31.965 0.342 11.607 1.0 26.9 ? 30 ALA B CA 1 29 . B ATOM 207 C C . ALA B 1 29 ? 31.248 1.605 11.134 1.0 26.03 ? 30 ALA B C 1 29 . B ATOM 208 O O . ALA B 1 29 ? 30.561 1.599 10.113 1.0 24.85 ? 30 ALA B O 1 29 . B ATOM 209 C CB . ALA B 1 29 ? 31.165 -0.331 12.713 1.0 28.68 ? 30 ALA B CB 1 29 . B ATOM 210 N N . ILE B 1 30 ? 31.417 2.688 11.880 1.0 25.12 ? 31 ILE B N 1 30 . B ATOM 211 C CA . ILE B 1 30 ? 30.793 3.955 11.526 1.0 24.49 ? 31 ILE B CA 1 30 . B ATOM 212 C C . ILE B 1 30 ? 31.378 4.516 10.232 1.0 23.4 ? 31 ILE B C 1 30 . B ATOM 213 O O . ILE B 1 30 ? 30.642 4.980 9.364 1.0 21.24 ? 31 ILE B O 1 30 . B ATOM 214 C CB . ILE B 1 30 ? 30.970 4.990 12.657 1.0 25.74 ? 31 ILE B CB 1 30 . B ATOM 215 C CG1 . ILE B 1 30 ? 30.143 4.560 13.872 1.0 26.97 ? 31 ILE B CG1 1 30 . B ATOM 216 C CG2 . ILE B 1 30 ? 30.552 6.385 12.171 1.0 24.2 ? 31 ILE B CG2 1 30 . B ATOM 217 C CD1 . ILE B 1 30 ? 30.363 5.426 15.097 1.0 29.61 ? 31 ILE B CD1 1 30 . B ATOM 218 N N . THR B 1 31 ? 32.701 4.478 10.103 1.0 23.47 ? 32 THR B N 1 31 . B ATOM 219 C CA . THR B 1 31 ? 33.353 4.982 8.896 1.0 22.65 ? 32 THR B CA 1 31 . B ATOM 220 C C . THR B 1 31 ? 32.813 4.228 7.680 1.0 22.41 ? 32 THR B C 1 31 . B ATOM 221 O O . THR B 1 31 ? 32.524 4.820 6.636 1.0 21.99 ? 32 THR B O 1 31 . B ATOM 222 C CB . THR B 1 31 ? 34.883 4.794 8.980 1.0 24.61 ? 32 THR B CB 1 31 . B ATOM 223 O OG1 . THR B 1 31 ? 35.384 5.465 10.141 1.0 25.22 ? 32 THR B OG1 1 31 . B ATOM 224 C CG2 . THR B 1 31 ? 35.565 5.366 7.752 1.0 24.71 ? 32 THR B CG2 1 31 . B ATOM 225 N N . THR B 1 32 ? 32.661 2.916 7.827 1.0 22.9 ? 33 THR B N 1 32 . B ATOM 226 C CA . THR B 1 32 ? 32.156 2.071 6.748 1.0 24.35 ? 33 THR B CA 1 32 . B ATOM 227 C C . THR B 1 32 ? 30.713 2.410 6.406 1.0 23.09 ? 33 THR B C 1 32 . B ATOM 228 O O . THR B 1 32 ? 30.334 2.455 5.238 1.0 21.88 ? 33 THR B O 1 32 . B ATOM 229 C CB . THR B 1 32 ? 32.272 0.579 7.143 1.0 26.81 ? 33 THR B CB 1 32 . B ATOM 230 O OG1 . THR B 1 32 ? 33.645 0.173 7.024 1.0 31.96 ? 33 THR B OG1 1 32 . B ATOM 231 C CG2 . THR B 1 32 ? 31.388 -0.298 6.273 1.0 26.36 ? 33 THR B CG2 1 32 . B ATOM 232 N N . ARG B 1 33 ? 29.912 2.663 7.435 1.0 22.98 ? 34 ARG B N 1 33 . B ATOM 233 C CA . ARG B 1 33 ? 28.510 3.014 7.248 1.0 22.23 ? 34 ARG B CA 1 33 . B ATOM 234 C C . ARG B 1 33 ? 28.407 4.350 6.509 1.0 21.35 ? 34 ARG B C 1 33 . B ATOM 235 O O . ARG B 1 33 ? 27.623 4.492 5.571 1.0 21.05 ? 34 ARG B O 1 33 . B ATOM 236 C CB . ARG B 1 33 ? 27.818 3.101 8.612 1.0 21.91 ? 34 ARG B CB 1 33 . B ATOM 237 C CG . ARG B 1 33 ? 26.316 3.280 8.548 1.0 22.07 ? 34 ARG B CG 1 33 . B ATOM 238 C CD . ARG B 1 33 ? 25.722 3.438 9.952 1.0 24.28 ? 34 ARG B CD 1 33 . B ATOM 239 N NE . ARG B 1 33 ? 24.270 3.592 9.905 1.0 22.49 ? 34 ARG B NE 1 33 . B ATOM 240 C CZ . ARG B 1 33 ? 23.417 2.594 9.705 1.0 22.88 ? 34 ARG B CZ 1 33 . B ATOM 241 N NH1 . ARG B 1 33 ? 22.113 2.836 9.672 1.0 20.92 ? 34 ARG B NH1 1 33 . B ATOM 242 N NH2 . ARG B 1 33 ? 23.865 1.352 9.563 1.0 21.38 ? 34 ARG B NH2 1 33 . B ATOM 243 N N . VAL B 1 34 ? 29.210 5.324 6.928 1.0 22.55 ? 35 VAL B N 1 34 . B ATOM 244 C CA . VAL B 1 34 ? 29.212 6.646 6.300 1.0 21.34 ? 35 VAL B CA 1 34 . B ATOM 245 C C . VAL B 1 34 ? 29.675 6.549 4.850 1.0 22.64 ? 35 VAL B C 1 34 . B ATOM 246 O O . VAL B 1 34 ? 29.167 7.248 3.975 1.0 22.37 ? 35 VAL B O 1 34 . B ATOM 247 C CB . VAL B 1 34 ? 30.139 7.628 7.053 1.0 22.62 ? 35 VAL B CB 1 34 . B ATOM 248 C CG1 . VAL B 1 34 ? 30.275 8.929 6.262 1.0 21.18 ? 35 VAL B CG1 1 34 . B ATOM 249 C CG2 . VAL B 1 34 ? 29.573 7.915 8.450 1.0 19.4 ? 35 VAL B CG2 1 34 . B ATOM 250 N N . HIS B 1 35 ? 30.646 5.680 4.600 1.0 22.54 ? 36 HIS B N 1 35 . B ATOM 251 C CA . HIS B 1 35 ? 31.159 5.501 3.247 1.0 21.67 ? 36 HIS B CA 1 35 . B ATOM 252 C C . HIS B 1 35 ? 30.020 5.057 2.335 1.0 21.31 ? 36 HIS B C 1 35 . B ATOM 253 O O . HIS B 1 35 ? 29.844 5.594 1.241 1.0 20.94 ? 36 HIS B O 1 35 . B ATOM 254 C CB . HIS B 1 35 ? 32.277 4.455 3.235 1.0 24.92 ? 36 HIS B CB 1 35 . B ATOM 255 C CG . HIS B 1 35 ? 32.928 4.293 1.897 1.0 26.37 ? 36 HIS B CG 1 35 . B ATOM 256 N ND1 . HIS B 1 35 ? 33.767 5.245 1.359 1.0 28.61 ? 36 HIS B ND1 1 35 . B ATOM 257 C CD2 . HIS B 1 35 ? 32.821 3.316 0.965 1.0 29.1 ? 36 HIS B CD2 1 35 . B ATOM 258 C CE1 . HIS B 1 35 ? 34.147 4.863 0.153 1.0 29.85 ? 36 HIS B CE1 1 35 . B ATOM 259 N NE2 . HIS B 1 35 ? 33.586 3.697 -0.110 1.0 28.02 ? 36 HIS B NE2 1 35 . B ATOM 260 N N . GLN B 1 36 ? 29.236 4.084 2.789 1.0 20.71 ? 37 GLN B N 1 36 . B ATOM 261 C CA . GLN B 1 36 ? 28.111 3.596 1.994 1.0 19.17 ? 37 GLN B CA 1 36 . B ATOM 262 C C . GLN B 1 36 ? 27.061 4.694 1.839 1.0 19.99 ? 37 GLN B C 1 36 . B ATOM 263 O O . GLN B 1 36 ? 26.499 4.892 0.765 1.0 18.88 ? 37 GLN B O 1 36 . B ATOM 264 C CB . GLN B 1 36 ? 27.455 2.378 2.656 1.0 20.12 ? 37 GLN B CB 1 36 . B ATOM 265 C CG . GLN B 1 36 ? 26.223 1.898 1.889 1.0 19.15 ? 37 GLN B CG 1 36 . B ATOM 266 C CD . GLN B 1 36 ? 25.427 0.818 2.608 1.0 19.01 ? 37 GLN B CD 1 36 . B ATOM 267 O OE1 . GLN B 1 36 ? 24.292 0.526 2.231 1.0 19.22 ? 37 GLN B OE1 1 36 . B ATOM 268 N NE2 . GLN B 1 36 ? 26.018 0.218 3.633 1.0 18.41 ? 37 GLN B NE2 1 36 . B ATOM 269 N N . MET B 1 37 ? 26.796 5.405 2.927 1.0 20.08 ? 38 MET B N 1 37 . B ATOM 270 C CA . MET B 1 37 ? 25.806 6.469 2.905 1.0 20.87 ? 38 MET B CA 1 37 . B ATOM 271 C C . MET B 1 37 ? 26.180 7.504 1.849 1.0 20.9 ? 38 MET B C 1 37 . B ATOM 272 O O . MET B 1 37 ? 25.341 7.919 1.046 1.0 20.89 ? 38 MET B O 1 37 . B ATOM 273 C CB . MET B 1 37 ? 25.716 7.122 4.287 1.0 20.35 ? 38 MET B CB 1 37 . B ATOM 274 C CG . MET B 1 37 ? 24.429 7.901 4.507 1.0 24.8 ? 38 MET B CG 1 37 . B ATOM 275 S SD . MET B 1 37 ? 24.330 8.576 6.176 1.0 24.67 ? 38 MET B SD 1 37 . B ATOM 276 C CE . MET B 1 37 ? 24.598 7.157 7.159 1.0 23.31 ? 38 MET B CE 1 37 . B ATOM 277 N N . VAL B 1 38 ? 27.447 7.903 1.833 1.0 20.31 ? 39 VAL B N 1 38 . B ATOM 278 C CA . VAL B 1 38 ? 27.903 8.891 0.861 1.0 21.68 ? 39 VAL B CA 1 38 . B ATOM 279 C C . VAL B 1 38 ? 27.825 8.349 -0.571 1.0 21.18 ? 39 VAL B C 1 38 . B ATOM 280 O O . VAL B 1 38 ? 27.522 9.094 -1.503 1.0 20.97 ? 39 VAL B O 1 38 . B ATOM 281 C CB . VAL B 1 38 ? 29.337 9.360 1.185 1.0 21.72 ? 39 VAL B CB 1 38 . B ATOM 282 C CG1 . VAL B 1 38 ? 29.862 10.283 0.088 1.0 22.42 ? 39 VAL B CG1 1 38 . B ATOM 283 C CG2 . VAL B 1 38 ? 29.335 10.089 2.523 1.0 22.48 ? 39 VAL B CG2 1 38 . B ATOM 284 N N . SER B 1 39 ? 28.088 7.057 -0.751 1.0 21.92 ? 40 SER B N 1 39 . B ATOM 285 C CA . SER B 1 39 ? 28.001 6.473 -2.086 1.0 21.87 ? 40 SER B CA 1 39 . B ATOM 286 C C . SER B 1 39 ? 26.569 6.631 -2.592 1.0 19.67 ? 40 SER B C 1 39 . B ATOM 287 O O . SER B 1 39 ? 26.354 6.974 -3.754 1.0 18.73 ? 40 SER B O 1 39 . B ATOM 288 C CB . SER B 1 39 ? 28.386 4.987 -2.068 1.0 23.17 ? 40 SER B CB 1 39 . B ATOM 289 O OG . SER B 1 39 ? 29.798 4.821 -1.977 1.0 32.4 ? 40 SER B OG 1 39 . B ATOM 290 N N . HIS B 1 40 ? 25.592 6.395 -1.717 1.0 18.2 ? 41 HIS B N 1 40 . B ATOM 291 C CA . HIS B 1 40 ? 24.185 6.530 -2.096 1.0 20.04 ? 41 HIS B CA 1 40 . B ATOM 292 C C . HIS B 1 40 ? 23.821 7.992 -2.392 1.0 20.45 ? 41 HIS B C 1 40 . B ATOM 293 O O . HIS B 1 40 ? 23.165 8.293 -3.396 1.0 20.67 ? 41 HIS B O 1 40 . B ATOM 294 C CB . HIS B 1 40 ? 23.271 5.984 -0.990 1.0 20.04 ? 41 HIS B CB 1 40 . B ATOM 295 C CG . HIS B 1 40 ? 23.196 4.488 -0.951 1.0 21.53 ? 41 HIS B CG 1 40 . B ATOM 296 N ND1 . HIS B 1 40 ? 22.943 3.728 -2.074 1.0 21.79 ? 41 HIS B ND1 1 40 . B ATOM 297 C CD2 . HIS B 1 40 ? 23.336 3.611 0.072 1.0 20.56 ? 41 HIS B CD2 1 40 . B ATOM 298 C CE1 . HIS B 1 40 ? 22.934 2.448 -1.744 1.0 21.93 ? 41 HIS B CE1 1 40 . B ATOM 299 N NE2 . HIS B 1 40 ? 23.168 2.349 -0.448 1.0 20.82 ? 41 HIS B NE2 1 40 . B ATOM 300 N N . VAL B 1 41 ? 24.237 8.896 -1.510 1.0 20.3 ? 42 VAL B N 1 41 . B ATOM 301 C CA . VAL B 1 41 ? 23.966 10.315 -1.714 1.0 18.72 ? 42 VAL B CA 1 41 . B ATOM 302 C C . VAL B 1 41 ? 24.531 10.762 -3.057 1.0 19.65 ? 42 VAL B C 1 41 . B ATOM 303 O O . VAL B 1 41 ? 23.862 11.436 -3.832 1.0 18.84 ? 42 VAL B O 1 41 . B ATOM 304 C CB . VAL B 1 41 ? 24.596 11.174 -0.597 1.0 19.63 ? 42 VAL B CB 1 41 . B ATOM 305 C CG1 . VAL B 1 41 ? 24.498 12.657 -0.957 1.0 17.91 ? 42 VAL B CG1 1 41 . B ATOM 306 C CG2 . VAL B 1 41 ? 23.882 10.904 0.726 1.0 17.31 ? 42 VAL B CG2 1 41 . B ATOM 307 N N . THR B 1 42 ? 25.769 10.373 -3.334 1.0 20.27 ? 43 THR B N 1 42 . B ATOM 308 C CA . THR B 1 42 ? 26.423 10.748 -4.583 1.0 21.12 ? 43 THR B CA 1 42 . B ATOM 309 C C . THR B 1 42 ? 25.645 10.265 -5.808 1.0 22.96 ? 43 THR B C 1 42 . B ATOM 310 O O . THR B 1 42 ? 25.470 11.004 -6.784 1.0 21.69 ? 43 THR B O 1 42 . B ATOM 311 C CB . THR B 1 42 ? 27.846 10.175 -4.617 1.0 20.07 ? 43 THR B CB 1 42 . B ATOM 312 O OG1 . THR B 1 42 ? 28.592 10.728 -3.526 1.0 20.87 ? 43 THR B OG1 1 42 . B ATOM 313 C CG2 . THR B 1 42 ? 28.537 10.504 -5.936 1.0 22.91 ? 43 THR B CG2 1 42 . B ATOM 314 N N . GLU B 1 43 ? 25.179 9.022 -5.758 1.0 23.68 ? 44 GLU B N 1 43 . B ATOM 315 C CA . GLU B 1 43 ? 24.413 8.477 -6.865 1.0 24.3 ? 44 GLU B CA 1 43 . B ATOM 316 C C . GLU B 1 43 ? 23.158 9.307 -7.097 1.0 24.03 ? 44 GLU B C 1 43 . B ATOM 317 O O . GLU B 1 43 ? 22.825 9.648 -8.230 1.0 24.54 ? 44 GLU B O 1 43 . B ATOM 318 C CB . GLU B 1 43 ? 24.004 7.030 -6.586 1.0 27.28 ? 44 GLU B CB 1 43 . B ATOM 319 C CG . GLU B 1 43 ? 23.264 6.402 -7.755 1.0 32.69 ? 44 GLU B CG 1 43 . B ATOM 320 C CD . GLU B 1 43 ? 22.815 4.981 -7.492 1.0 35.93 ? 44 GLU B CD 1 43 . B ATOM 321 O OE1 . GLU B 1 43 ? 22.531 4.267 -8.478 1.0 39.76 ? 44 GLU B OE1 1 43 . B ATOM 322 O OE2 . GLU B 1 43 ? 22.736 4.578 -6.311 1.0 38.96 ? 44 GLU B OE2 1 43 . B ATOM 323 N N . MET B 1 44 ? 22.457 9.644 -6.021 1.0 22.6 ? 45 MET B N 1 44 . B ATOM 324 C CA . MET B 1 44 ? 21.234 10.418 -6.175 1.0 23.41 ? 45 MET B CA 1 44 . B ATOM 325 C C . MET B 1 44 ? 21.443 11.844 -6.681 1.0 22.99 ? 45 MET B C 1 44 . B ATOM 326 O O . MET B 1 44 ? 20.552 12.409 -7.306 1.0 22.79 ? 45 MET B O 1 44 . B ATOM 327 C CB . MET B 1 44 ? 20.441 10.412 -4.864 1.0 23.49 ? 45 MET B CB 1 44 . B ATOM 328 C CG . MET B 1 44 ? 19.814 9.053 -4.582 1.0 23.67 ? 45 MET B CG 1 44 . B ATOM 329 S SD . MET B 1 44 ? 18.834 8.950 -3.081 1.0 23.41 ? 45 MET B SD 1 44 . B ATOM 330 C CE . MET B 1 44 ? 20.023 8.158 -1.966 1.0 23.38 ? 45 MET B CE 1 44 . B ATOM 331 N N . TYR B 1 45 ? 22.612 12.429 -6.440 1.0 22.6 ? 46 TYR B N 1 45 . B ATOM 332 C CA . TYR B 1 45 ? 22.851 13.792 -6.919 1.0 22.82 ? 46 TYR B CA 1 45 . B ATOM 333 C C . TYR B 1 45 ? 23.440 13.891 -8.328 1.0 24.01 ? 46 TYR B C 1 45 . B ATOM 334 O O . TYR B 1 45 ? 23.457 14.972 -8.918 1.0 21.58 ? 46 TYR B O 1 45 . B ATOM 335 C CB . TYR B 1 45 ? 23.717 14.568 -5.916 1.0 22.66 ? 46 TYR B CB 1 45 . B ATOM 336 C CG . TYR B 1 45 ? 22.874 15.278 -4.880 1.0 21.81 ? 46 TYR B CG 1 45 . B ATOM 337 C CD1 . TYR B 1 45 ? 22.030 16.324 -5.253 1.0 20.79 ? 46 TYR B CD1 1 45 . B ATOM 338 C CD2 . TYR B 1 45 ? 22.840 14.844 -3.552 1.0 23.01 ? 46 TYR B CD2 1 45 . B ATOM 339 C CE1 . TYR B 1 45 ? 21.168 16.914 -4.343 1.0 20.77 ? 46 TYR B CE1 1 45 . B ATOM 340 C CE2 . TYR B 1 45 ? 21.971 15.432 -2.626 1.0 20.03 ? 46 TYR B CE2 1 45 . B ATOM 341 C CZ . TYR B 1 45 ? 21.137 16.464 -3.033 1.0 21.49 ? 46 TYR B CZ 1 45 . B ATOM 342 O OH . TYR B 1 45 ? 20.254 17.038 -2.147 1.0 18.74 ? 46 TYR B OH 1 45 . B ATOM 343 N N . SER B 1 46 ? 23.899 12.770 -8.884 1.0 26.76 ? 47 SER B N 1 46 . B ATOM 344 C CA . SER B 1 46 ? 24.467 12.786 -10.234 1.0 28.86 ? 47 SER B CA 1 46 . B ATOM 345 C C . SER B 1 46 ? 23.538 13.397 -11.283 1.0 28.37 ? 47 SER B C 1 46 . B ATOM 346 O O . SER B 1 46 ? 23.975 14.200 -12.106 1.0 29.63 ? 47 SER B O 1 46 . B ATOM 347 C CB . SER B 1 46 ? 24.859 11.372 -10.678 1.0 30.77 ? 47 SER B CB 1 46 . B ATOM 348 O OG . SER B 1 46 ? 26.042 10.941 -10.026 1.0 36.89 ? 47 SER B OG 1 46 . B ATOM 349 N N . PRO B 1 47 ? 22.248 13.017 -11.280 1.0 28.7 ? 48 PRO B N 1 47 . B ATOM 350 C CA . PRO B 1 47 ? 21.308 13.570 -12.262 1.0 28.41 ? 48 PRO B CA 1 47 . B ATOM 351 C C . PRO B 1 47 ? 21.191 15.096 -12.250 1.0 28.97 ? 48 PRO B C 1 47 . B ATOM 352 O O . PRO B 1 47 ? 20.729 15.697 -13.221 1.0 29.41 ? 48 PRO B O 1 47 . B ATOM 353 C CB . PRO B 1 47 ? 19.993 12.890 -11.897 1.0 29.4 ? 48 PRO B CB 1 47 . B ATOM 354 C CG . PRO B 1 47 ? 20.442 11.564 -11.385 1.0 28.3 ? 48 PRO B CG 1 47 . B ATOM 355 C CD . PRO B 1 47 ? 21.607 11.941 -10.503 1.0 28.31 ? 48 PRO B CD 1 47 . B ATOM 356 N N . LEU B 1 48 ? 21.593 15.727 -11.152 1.0 27.89 ? 49 LEU B N 1 48 . B ATOM 357 C CA . LEU B 1 48 ? 21.521 17.183 -11.058 1.0 26.82 ? 49 LEU B CA 1 48 . B ATOM 358 C C . LEU B 1 48 ? 22.894 17.797 -11.340 1.0 25.81 ? 49 LEU B C 1 48 . B ATOM 359 O O . LEU B 1 48 ? 23.105 18.995 -11.157 1.0 26.81 ? 49 LEU B O 1 48 . B ATOM 360 C CB . LEU B 1 48 ? 21.047 17.605 -9.664 1.0 25.48 ? 49 LEU B CB 1 48 . B ATOM 361 C CG . LEU B 1 48 ? 19.660 17.157 -9.200 1.0 26.58 ? 49 LEU B CG 1 48 . B ATOM 362 C CD1 . LEU B 1 48 ? 19.407 17.676 -7.786 1.0 25.28 ? 49 LEU B CD1 1 48 . B ATOM 363 C CD2 . LEU B 1 48 ? 18.603 17.676 -10.154 1.0 27.83 ? 49 LEU B CD2 1 48 . B ATOM 364 N N . ASN B 1 49 ? 23.816 16.960 -11.792 1.0 25.51 ? 50 ASN B N 1 49 . B ATOM 365 C CA . ASN B 1 49 ? 25.181 17.369 -12.101 1.0 26.46 ? 50 ASN B CA 1 49 . B ATOM 366 C C . ASN B 1 49 ? 25.876 18.016 -10.909 1.0 25.8 ? 50 ASN B C 1 49 . B ATOM 367 O O . ASN B 1 49 ? 26.647 18.957 -11.061 1.0 25.63 ? 50 ASN B O 1 49 . B ATOM 368 C CB . ASN B 1 49 ? 25.215 18.310 -13.318 1.0 28.7 ? 50 ASN B CB 1 49 . B ATOM 369 C CG . ASN B 1 49 ? 26.563 18.278 -14.044 1.0 31.74 ? 50 ASN B CG 1 49 . B ATOM 370 O OD1 . ASN B 1 49 ? 27.375 17.372 -13.834 1.0 31.06 ? 50 ASN B OD1 1 49 . B ATOM 371 N ND2 . ASN B 1 49 ? 26.797 19.259 -14.911 1.0 32.02 ? 50 ASN B ND2 1 49 . B ATOM 372 N N . ILE B 1 50 ? 25.563 17.511 -9.719 1.0 24.19 ? 51 ILE B N 1 50 . B ATOM 373 C CA . ILE B 1 50 ? 26.177 17.963 -8.480 1.0 22.93 ? 51 ILE B CA 1 50 . B ATOM 374 C C . ILE B 1 50 ? 27.076 16.808 -8.061 1.0 23.57 ? 51 ILE B C 1 50 . B ATOM 375 O O . ILE B 1 50 ? 26.605 15.677 -7.916 1.0 24.69 ? 51 ILE B O 1 50 . B ATOM 376 C CB . ILE B 1 50 ? 25.148 18.170 -7.337 1.0 23.31 ? 51 ILE B CB 1 50 . B ATOM 377 C CG1 . ILE B 1 50 ? 24.268 19.389 -7.621 1.0 24.17 ? 51 ILE B CG1 1 50 . B ATOM 378 C CG2 . ILE B 1 50 ? 25.886 18.332 -6.002 1.0 22.13 ? 51 ILE B CG2 1 50 . B ATOM 379 C CD1 . ILE B 1 50 ? 23.225 19.649 -6.538 1.0 23.58 ? 51 ILE B CD1 1 50 . B ATOM 380 N N . ALA B 1 51 ? 28.361 17.084 -7.880 1.0 21.95 ? 52 ALA B N 1 51 . B ATOM 381 C CA . ALA B 1 51 ? 29.296 16.049 -7.463 1.0 21.37 ? 52 ALA B CA 1 51 . B ATOM 382 C C . ALA B 1 51 ? 29.535 16.173 -5.961 1.0 21.62 ? 52 ALA B C 1 51 . B ATOM 383 O O . ALA B 1 51 ? 30.195 17.103 -5.499 1.0 20.0 ? 52 ALA B O 1 51 . B ATOM 384 C CB . ALA B 1 51 ? 30.613 16.189 -8.222 1.0 20.69 ? 52 ALA B CB 1 51 . B ATOM 385 N N . THR B 1 52 ? 28.972 15.241 -5.199 1.0 20.93 ? 53 THR B N 1 52 . B ATOM 386 C CA . THR B 1 52 ? 29.141 15.240 -3.752 1.0 20.88 ? 53 THR B CA 1 52 . B ATOM 387 C C . THR B 1 52 ? 30.344 14.399 -3.346 1.0 21.7 ? 53 THR B C 1 52 . B ATOM 388 O O . THR B 1 52 ? 30.510 13.262 -3.802 1.0 22.05 ? 53 THR B O 1 52 . B ATOM 389 C CB . THR B 1 52 ? 27.900 14.657 -3.039 1.0 21.21 ? 53 THR B CB 1 52 . B ATOM 390 O OG1 . THR B 1 52 ? 27.531 13.418 -3.664 1.0 21.35 ? 53 THR B OG1 1 52 . B ATOM 391 C CG2 . THR B 1 52 ? 26.735 15.622 -3.115 1.0 18.11 ? 53 THR B CG2 1 52 . B ATOM 392 N N . THR B 1 53 ? 31.192 14.966 -2.499 1.0 21.12 ? 54 THR B N 1 53 . B ATOM 393 C CA . THR B 1 53 ? 32.360 14.254 -2.007 1.0 21.92 ? 54 THR B CA 1 53 . B ATOM 394 C C . THR B 1 53 ? 32.453 14.480 -0.507 1.0 23.13 ? 54 THR B C 1 53 . B ATOM 395 O O . THR B 1 53 ? 31.975 15.492 0.004 1.0 23.16 ? 54 THR B O 1 53 . B ATOM 396 C CB . THR B 1 53 ? 33.659 14.745 -2.673 1.0 22.29 ? 54 THR B CB 1 53 . B ATOM 397 O OG1 . THR B 1 53 ? 33.690 16.180 -2.683 1.0 24.22 ? 54 THR B OG1 1 53 . B ATOM 398 C CG2 . THR B 1 53 ? 33.758 14.215 -4.096 1.0 22.82 ? 54 THR B CG2 1 53 . B ATOM 399 N N . LEU B 1 54 ? 33.048 13.523 0.196 1.0 20.98 ? 55 LEU B N 1 54 . B ATOM 400 C CA . LEU B 1 54 ? 33.208 13.632 1.634 1.0 21.6 ? 55 LEU B CA 1 54 . B ATOM 401 C C . LEU B 1 54 ? 34.529 14.330 1.942 1.0 22.61 ? 55 LEU B C 1 54 . B ATOM 402 O O . LEU B 1 54 ? 35.593 13.732 1.804 1.0 21.89 ? 55 LEU B O 1 54 . B ATOM 403 C CB . LEU B 1 54 ? 33.201 12.242 2.275 1.0 20.75 ? 55 LEU B CB 1 54 . B ATOM 404 C CG . LEU B 1 54 ? 33.350 12.226 3.800 1.0 18.48 ? 55 LEU B CG 1 54 . B ATOM 405 C CD1 . LEU B 1 54 ? 32.145 12.922 4.423 1.0 18.03 ? 55 LEU B CD1 1 54 . B ATOM 406 C CD2 . LEU B 1 54 ? 33.465 10.791 4.302 1.0 19.24 ? 55 LEU B CD2 1 54 . B ATOM 407 N N . SER B 1 55 ? 34.456 15.594 2.349 1.0 21.28 ? 56 SER B N 1 55 . B ATOM 408 C CA . SER B 1 55 ? 35.652 16.364 2.674 1.0 22.63 ? 56 SER B CA 1 55 . B ATOM 409 C C . SER B 1 55 ? 36.280 15.840 3.954 1.0 22.55 ? 56 SER B C 1 55 . B ATOM 410 O O . SER B 1 55 ? 37.501 15.766 4.074 1.0 22.89 ? 56 SER B O 1 55 . B ATOM 411 C CB . SER B 1 55 ? 35.311 17.847 2.877 1.0 21.79 ? 56 SER B CB 1 55 . B ATOM 412 O OG . SER B 1 55 ? 34.855 18.443 1.681 1.0 24.34 ? 56 SER B OG 1 55 . B ATOM 413 N N . LEU B 1 56 ? 35.436 15.480 4.914 1.0 22.18 ? 57 LEU B N 1 56 . B ATOM 414 C CA . LEU B 1 56 ? 35.929 14.985 6.187 1.0 21.87 ? 57 LEU B CA 1 56 . B ATOM 415 C C . LEU B 1 56 ? 34.842 14.289 6.975 1.0 23.33 ? 57 LEU B C 1 56 . B ATOM 416 O O . LEU B 1 56 ? 33.652 14.556 6.793 1.0 22.5 ? 57 LEU B O 1 56 . B ATOM 417 C CB . LEU B 1 56 ? 36.474 16.153 7.017 1.0 22.87 ? 57 LEU B CB 1 56 . B ATOM 418 C CG . LEU B 1 56 ? 35.427 17.173 7.497 1.0 23.29 ? 57 LEU B CG 1 56 . B ATOM 419 C CD1 . LEU B 1 56 ? 34.893 16.773 8.871 1.0 20.86 ? 57 LEU B CD1 1 56 . B ATOM 420 C CD2 . LEU B 1 56 ? 36.053 18.555 7.579 1.0 23.87 ? 57 LEU B CD2 1 56 . B ATOM 421 N N . LEU B 1 57 ? 35.264 13.383 7.848 1.0 22.99 ? 58 LEU B N 1 57 . B ATOM 422 C CA . LEU B 1 57 ? 34.351 12.680 8.725 1.0 22.52 ? 58 LEU B CA 1 57 . B ATOM 423 C C . LEU B 1 57 ? 34.901 12.829 10.136 1.0 23.47 ? 58 LEU B C 1 57 . B ATOM 424 O O . LEU B 1 57 ? 36.067 12.508 10.399 1.0 23.01 ? 58 LEU B O 1 57 . B ATOM 425 C CB . LEU B 1 57 ? 34.258 11.190 8.366 1.0 21.37 ? 58 LEU B CB 1 57 . B ATOM 426 C CG . LEU B 1 57 ? 33.518 10.329 9.399 1.0 22.73 ? 58 LEU B CG 1 57 . B ATOM 427 C CD1 . LEU B 1 57 ? 32.049 10.770 9.520 1.0 20.42 ? 58 LEU B CD1 1 57 . B ATOM 428 C CD2 . LEU B 1 57 ? 33.610 8.861 8.993 1.0 21.96 ? 58 LEU B CD2 1 57 . B ATOM 429 N N . ARG B 1 58 ? 34.078 13.356 11.034 1.0 22.39 ? 59 ARG B N 1 58 . B ATOM 430 C CA . ARG B 1 58 ? 34.476 13.486 12.424 1.0 23.29 ? 59 ARG B CA 1 58 . B ATOM 431 C C . ARG B 1 58 ? 33.615 12.514 13.202 1.0 24.24 ? 59 ARG B C 1 58 . B ATOM 432 O O . ARG B 1 58 ? 32.412 12.409 12.957 1.0 23.14 ? 59 ARG B O 1 58 . B ATOM 433 C CB . ARG B 1 58 ? 34.227 14.898 12.960 1.0 23.15 ? 59 ARG B CB 1 58 . B ATOM 434 C CG . ARG B 1 58 ? 35.131 15.955 12.387 1.0 25.29 ? 59 ARG B CG 1 58 . B ATOM 435 C CD . ARG B 1 58 ? 36.596 15.685 12.716 1.0 27.87 ? 59 ARG B CD 1 58 . B ATOM 436 N NE . ARG B 1 58 ? 37.443 16.710 12.124 1.0 29.62 ? 59 ARG B NE 1 58 . B ATOM 437 C CZ . ARG B 1 58 ? 37.555 17.945 12.595 1.0 29.51 ? 59 ARG B CZ 1 58 . B ATOM 438 N NH1 . ARG B 1 58 ? 38.339 18.819 11.979 1.0 30.14 ? 59 ARG B NH1 1 58 . B ATOM 439 N NH2 . ARG B 1 58 ? 36.906 18.298 13.697 1.0 29.82 ? 59 ARG B NH2 1 58 . B ATOM 440 N N . ILE B 1 59 ? 34.234 11.792 14.127 1.0 23.2 ? 60 ILE B N 1 59 . B ATOM 441 C CA . ILE B 1 59 ? 33.508 10.859 14.966 1.0 24.4 ? 60 ILE B CA 1 59 . B ATOM 442 C C . ILE B 1 59 ? 33.786 11.303 16.395 1.0 24.44 ? 60 ILE B C 1 59 . B ATOM 443 O O . ILE B 1 59 ? 34.935 11.304 16.840 1.0 24.89 ? 60 ILE B O 1 59 . B ATOM 444 C CB . ILE B 1 59 ? 33.997 9.410 14.770 1.0 24.74 ? 60 ILE B CB 1 59 . B ATOM 445 C CG1 . ILE B 1 59 ? 33.768 8.975 13.319 1.0 25.68 ? 60 ILE B CG1 1 59 . B ATOM 446 C CG2 . ILE B 1 59 ? 33.245 8.486 15.714 1.0 22.55 ? 60 ILE B CG2 1 59 . B ATOM 447 C CD1 . ILE B 1 59 ? 34.194 7.540 13.015 1.0 24.65 ? 60 ILE B CD1 1 59 . B ATOM 448 N N . TRP B 1 60 ? 32.737 11.700 17.108 1.0 23.72 ? 61 TRP B N 1 60 . B ATOM 449 C CA . TRP B 1 60 ? 32.903 12.170 18.478 1.0 24.19 ? 61 TRP B CA 1 60 . B ATOM 450 C C . TRP B 1 60 ? 32.902 11.012 19.460 1.0 24.41 ? 61 TRP B C 1 60 . B ATOM 451 O O . TRP B 1 60 ? 31.998 10.875 20.289 1.0 23.29 ? 61 TRP B O 1 60 . B ATOM 452 C CB . TRP B 1 60 ? 31.807 13.181 18.825 1.0 22.96 ? 61 TRP B CB 1 60 . B ATOM 453 C CG . TRP B 1 60 ? 31.957 14.494 18.087 1.0 22.66 ? 61 TRP B CG 1 60 . B ATOM 454 C CD1 . TRP B 1 60 ? 33.093 14.976 17.486 1.0 22.29 ? 61 TRP B CD1 1 60 . B ATOM 455 C CD2 . TRP B 1 60 ? 30.973 15.527 17.965 1.0 20.92 ? 61 TRP B CD2 1 60 . B ATOM 456 N NE1 . TRP B 1 60 ? 32.875 16.247 17.007 1.0 21.36 ? 61 TRP B NE1 1 60 . B ATOM 457 C CE2 . TRP B 1 60 ? 31.583 16.610 17.287 1.0 22.07 ? 61 TRP B CE2 1 60 . B ATOM 458 C CE3 . TRP B 1 60 ? 29.636 15.647 18.367 1.0 21.56 ? 61 TRP B CE3 1 60 . B ATOM 459 C CZ2 . TRP B 1 60 ? 30.900 17.798 17.002 1.0 21.39 ? 61 TRP B CZ2 1 60 . B ATOM 460 C CZ3 . TRP B 1 60 ? 28.955 16.830 18.084 1.0 20.95 ? 61 TRP B CZ3 1 60 . B ATOM 461 C CH2 . TRP B 1 60 ? 29.591 17.890 17.407 1.0 19.41 ? 61 TRP B CH2 1 60 . B ATOM 462 N N . SER B 1 61 ? 33.939 10.185 19.354 1.0 26.03 ? 62 SER B N 1 61 . B ATOM 463 C CA . SER B 1 61 ? 34.093 9.012 20.204 1.0 28.74 ? 62 SER B CA 1 61 . B ATOM 464 C C . SER B 1 61 ? 34.514 9.358 21.629 1.0 31.22 ? 62 SER B C 1 61 . B ATOM 465 O O . SER B 1 61 ? 34.325 8.560 22.547 1.0 31.68 ? 62 SER B O 1 61 . B ATOM 466 C CB . SER B 1 61 ? 35.107 8.051 19.583 1.0 27.65 ? 62 SER B CB 1 61 . B ATOM 467 O OG . SER B 1 61 ? 36.322 8.720 19.310 1.0 31.99 ? 62 SER B OG 1 61 . B ATOM 468 N N . SER B 1 62 ? 35.096 10.536 21.819 1.0 32.26 ? 63 SER B N 1 62 . B ATOM 469 C CA . SER B 1 62 ? 35.501 10.948 23.158 1.0 33.9 ? 63 SER B CA 1 62 . B ATOM 470 C C . SER B 1 62 ? 34.256 11.511 23.842 1.0 33.46 ? 63 SER B C 1 62 . B ATOM 471 O O . SER B 1 62 ? 33.818 11.000 24.872 1.0 34.44 ? 63 SER B O 1 62 . B ATOM 472 C CB . SER B 1 62 ? 36.601 12.013 23.088 1.0 35.5 ? 63 SER B CB 1 62 . B ATOM 473 O OG . SER B 1 62 ? 37.080 12.349 24.385 1.0 39.81 ? 63 SER B OG 1 62 . B ATOM 474 N N . LYS B 1 63 ? 33.678 12.550 23.242 1.0 31.21 ? 64 LYS B N 1 63 . B ATOM 475 C CA . LYS B 1 63 ? 32.480 13.194 23.770 1.0 29.21 ? 64 LYS B CA 1 63 . B ATOM 476 C C . LYS B 1 63 ? 31.901 14.169 22.743 1.0 26.75 ? 64 LYS B C 1 63 . B ATOM 477 O O . LYS B 1 63 ? 32.617 14.629 21.853 1.0 24.76 ? 64 LYS B O 1 63 . B ATOM 478 C CB . LYS B 1 63 ? 32.825 13.957 25.047 1.0 32.51 ? 64 LYS B CB 1 63 . B ATOM 479 C CG . LYS B 1 63 ? 33.942 14.971 24.865 1.0 35.74 ? 64 LYS B CG 1 63 . B ATOM 480 C CD . LYS B 1 63 ? 34.288 15.645 26.179 1.0 41.07 ? 64 LYS B CD 1 63 . B ATOM 481 C CE . LYS B 1 63 ? 35.469 16.591 26.022 1.0 43.52 ? 64 LYS B CE 1 63 . B ATOM 482 N NZ . LYS B 1 63 ? 35.171 17.683 25.061 1.0 45.08 ? 64 LYS B NZ 1 63 . B ATOM 483 N N . ASP B 1 64 ? 30.608 14.470 22.860 1.0 24.21 ? 65 ASP B N 1 64 . B ATOM 484 C CA . ASP B 1 64 ? 29.960 15.424 21.957 1.0 23.22 ? 65 ASP B CA 1 64 . B ATOM 485 C C . ASP B 1 64 ? 30.605 16.792 22.197 1.0 24.72 ? 65 ASP B C 1 64 . B ATOM 486 O O . ASP B 1 64 ? 30.897 17.139 23.339 1.0 24.88 ? 65 ASP B O 1 64 . B ATOM 487 C CB . ASP B 1 64 ? 28.464 15.520 22.267 1.0 22.49 ? 65 ASP B CB 1 64 . B ATOM 488 C CG . ASP B 1 64 ? 27.664 14.349 21.716 1.0 21.73 ? 65 ASP B CG 1 64 . B ATOM 489 O OD1 . ASP B 1 64 ? 26.576 14.072 22.259 1.0 21.37 ? 65 ASP B OD1 1 64 . B ATOM 490 O OD2 . ASP B 1 64 ? 28.107 13.724 20.736 1.0 22.06 ? 65 ASP B OD2 1 64 . B ATOM 491 N N . LEU B 1 65 ? 30.818 17.569 21.137 1.0 24.03 ? 66 LEU B N 1 65 . B ATOM 492 C CA . LEU B 1 65 ? 31.425 18.888 21.288 1.0 24.77 ? 66 LEU B CA 1 65 . B ATOM 493 C C . LEU B 1 65 ? 30.374 19.997 21.396 1.0 25.16 ? 66 LEU B C 1 65 . B ATOM 494 O O . LEU B 1 65 ? 30.702 21.184 21.494 1.0 24.85 ? 66 LEU B O 1 65 . B ATOM 495 C CB . LEU B 1 65 ? 32.401 19.163 20.139 1.0 23.62 ? 66 LEU B CB 1 65 . B ATOM 496 C CG . LEU B 1 65 ? 33.616 18.228 20.083 1.0 26.87 ? 66 LEU B CG 1 65 . B ATOM 497 C CD1 . LEU B 1 65 ? 34.564 18.681 18.983 1.0 25.26 ? 66 LEU B CD1 1 65 . B ATOM 498 C CD2 . LEU B 1 65 ? 34.341 18.231 21.430 1.0 29.32 ? 66 LEU B CD2 1 65 . B ATOM 499 N N . ILE B 1 66 ? 29.108 19.588 21.350 1.0 24.55 ? 67 ILE B N 1 66 . B ATOM 500 C CA . ILE B 1 66 ? 27.961 20.476 21.515 1.0 23.84 ? 67 ILE B CA 1 66 . B ATOM 501 C C . ILE B 1 66 ? 26.949 19.604 22.237 1.0 24.84 ? 67 ILE B C 1 66 . B ATOM 502 O O . ILE B 1 66 ? 27.122 18.383 22.310 1.0 23.91 ? 67 ILE B O 1 66 . B ATOM 503 C CB . ILE B 1 66 ? 27.306 20.932 20.180 1.0 24.06 ? 67 ILE B CB 1 66 . B ATOM 504 C CG1 . ILE B 1 66 ? 26.710 19.728 19.441 1.0 24.01 ? 67 ILE B CG1 1 66 . B ATOM 505 C CG2 . ILE B 1 66 ? 28.310 21.691 19.334 1.0 24.91 ? 67 ILE B CG2 1 66 . B ATOM 506 C CD1 . ILE B 1 66 ? 25.854 20.108 18.226 1.0 24.97 ? 67 ILE B CD1 1 66 . B ATOM 507 N N . THR B 1 67 ? 25.904 20.210 22.782 1.0 23.75 ? 68 THR B N 1 67 . B ATOM 508 C CA . THR B 1 67 ? 24.891 19.414 23.447 1.0 24.35 ? 68 THR B CA 1 67 . B ATOM 509 C C . THR B 1 67 ? 23.943 18.933 22.361 1.0 24.29 ? 68 THR B C 1 67 . B ATOM 510 O O . THR B 1 67 ? 23.322 19.742 21.669 1.0 24.39 ? 68 THR B O 1 67 . B ATOM 511 C CB . THR B 1 67 ? 24.091 20.235 24.480 1.0 24.99 ? 68 THR B CB 1 67 . B ATOM 512 O OG1 . THR B 1 67 ? 24.980 20.726 25.488 1.0 26.57 ? 68 THR B OG1 1 67 . B ATOM 513 C CG2 . THR B 1 67 ? 23.028 19.365 25.142 1.0 25.4 ? 68 THR B CG2 1 67 . B ATOM 514 N N . VAL B 1 68 ? 23.868 17.619 22.181 1.0 23.22 ? 69 VAL B N 1 68 . B ATOM 515 C CA . VAL B 1 68 ? 22.967 17.051 21.196 1.0 23.05 ? 69 VAL B CA 1 68 . B ATOM 516 C C . VAL B 1 68 ? 21.707 16.697 21.964 1.0 25.52 ? 69 VAL B C 1 68 . B ATOM 517 O O . VAL B 1 68 ? 21.723 15.815 22.827 1.0 25.26 ? 69 VAL B O 1 68 . B ATOM 518 C CB . VAL B 1 68 ? 23.539 15.776 20.561 1.0 22.22 ? 69 VAL B CB 1 68 . B ATOM 519 C CG1 . VAL B 1 68 ? 22.506 15.154 19.642 1.0 20.41 ? 69 VAL B CG1 1 68 . B ATOM 520 C CG2 . VAL B 1 68 ? 24.801 16.107 19.783 1.0 22.52 ? 69 VAL B CG2 1 68 . B ATOM 521 N N . GLN B 1 69 ? 20.617 17.394 21.662 1.0 25.14 ? 70 GLN B N 1 69 . B ATOM 522 C CA . GLN B 1 69 ? 19.366 17.153 22.364 1.0 26.11 ? 70 GLN B CA 1 69 . B ATOM 523 C C . GLN B 1 69 ? 18.221 16.780 21.435 1.0 26.45 ? 70 GLN B C 1 69 . B ATOM 524 O O . GLN B 1 69 ? 18.297 16.981 20.215 1.0 24.86 ? 70 GLN B O 1 69 . B ATOM 525 C CB . GLN B 1 69 ? 19.009 18.382 23.206 1.0 28.77 ? 70 GLN B CB 1 69 . B ATOM 526 C CG . GLN B 1 69 ? 19.185 19.709 22.488 1.0 28.74 ? 70 GLN B CG 1 69 . B ATOM 527 C CD . GLN B 1 69 ? 19.000 20.897 23.416 1.0 32.46 ? 70 GLN B CD 1 69 . B ATOM 528 O OE1 . GLN B 1 69 ? 17.956 21.044 24.050 1.0 32.63 ? 70 GLN B OE1 1 69 . B ATOM 529 N NE2 . GLN B 1 69 ? 20.014 21.753 23.497 1.0 32.25 ? 70 GLN B NE2 1 69 . B ATOM 530 N N . SER B 1 70 ? 17.162 16.232 22.026 1.0 24.5 ? 71 SER B N 1 70 . B ATOM 531 C CA . SER B 1 70 ? 15.991 15.779 21.286 1.0 24.4 ? 71 SER B CA 1 70 . B ATOM 532 C C . SER B 1 70 ? 15.329 16.820 20.388 1.0 23.37 ? 71 SER B C 1 70 . B ATOM 533 O O . SER B 1 70 ? 14.675 16.464 19.407 1.0 21.34 ? 71 SER B O 1 70 . B ATOM 534 C CB . SER B 1 70 ? 14.951 15.203 22.252 1.0 25.48 ? 71 SER B CB 1 70 . B ATOM 535 O OG . SER B 1 70 ? 14.599 16.154 23.244 1.0 29.78 ? 71 SER B OG 1 70 . B ATOM 536 N N . ASP B 1 71 ? 15.466 18.099 20.712 1.0 20.0 ? 72 ASP B N 1 71 . B ATOM 537 C CA . ASP B 1 71 ? 14.861 19.093 19.848 1.0 20.18 ? 72 ASP B CA 1 71 . B ATOM 538 C C . ASP B 1 71 ? 15.831 19.394 18.724 1.0 18.78 ? 72 ASP B C 1 71 . B ATOM 539 O O . ASP B 1 71 ? 16.897 19.955 18.962 1.0 19.3 ? 72 ASP B O 1 71 . B ATOM 540 C CB . ASP B 1 71 ? 14.547 20.394 20.578 1.0 20.71 ? 72 ASP B CB 1 71 . B ATOM 541 C CG . ASP B 1 71 ? 13.882 21.398 19.661 1.0 21.21 ? 72 ASP B CG 1 71 . B ATOM 542 O OD1 . ASP B 1 71 ? 12.704 21.185 19.312 1.0 20.9 ? 72 ASP B OD1 1 71 . B ATOM 543 O OD2 . ASP B 1 71 ? 14.543 22.374 19.254 1.0 21.93 ? 72 ASP B OD2 1 71 . B ATOM 544 N N . SER B 1 72 ? 15.452 19.017 17.506 1.0 20.47 ? 73 SER B N 1 72 . B ATOM 545 C CA . SER B 1 72 ? 16.289 19.221 16.325 1.0 20.79 ? 73 SER B CA 1 72 . B ATOM 546 C C . SER B 1 72 ? 16.626 20.677 16.016 1.0 20.15 ? 73 SER B C 1 72 . B ATOM 547 O O . SER B 1 72 ? 17.754 20.983 15.639 1.0 18.99 ? 73 SER B O 1 72 . B ATOM 548 C CB . SER B 1 72 ? 15.630 18.589 15.097 1.0 19.79 ? 73 SER B CB 1 72 . B ATOM 549 O OG . SER B 1 72 ? 14.334 19.126 14.864 1.0 22.29 ? 73 SER B OG 1 72 . B ATOM 550 N N . SER B 1 73 ? 15.665 21.582 16.173 1.0 20.63 ? 74 SER B N 1 73 . B ATOM 551 C CA . SER B 1 73 ? 15.939 22.985 15.870 1.0 20.97 ? 74 SER B CA 1 73 . B ATOM 552 C C . SER B 1 73 ? 17.055 23.539 16.767 1.0 20.63 ? 74 SER B C 1 73 . B ATOM 553 O O . SER B 1 73 ? 17.965 24.224 16.294 1.0 20.36 ? 74 SER B O 1 73 . B ATOM 554 C CB . SER B 1 73 ? 14.660 23.816 16.019 1.0 23.77 ? 74 SER B CB 1 73 . B ATOM 555 O OG . SER B 1 73 ? 14.801 25.081 15.399 1.0 32.17 ? 74 SER B OG 1 73 . B ATOM 556 N N . VAL B 1 74 ? 16.992 23.238 18.059 1.0 19.96 ? 75 VAL B N 1 74 . B ATOM 557 C CA . VAL B 1 74 ? 18.019 23.701 18.984 1.0 19.77 ? 75 VAL B CA 1 74 . B ATOM 558 C C . VAL B 1 74 ? 19.366 23.046 18.686 1.0 20.04 ? 75 VAL B C 1 74 . B ATOM 559 O O . VAL B 1 74 ? 20.398 23.713 18.655 1.0 19.0 ? 75 VAL B O 1 74 . B ATOM 560 C CB . VAL B 1 74 ? 17.632 23.401 20.444 1.0 21.3 ? 75 VAL B CB 1 74 . B ATOM 561 C CG1 . VAL B 1 74 ? 18.799 23.707 21.363 1.0 20.09 ? 75 VAL B CG1 1 74 . B ATOM 562 C CG2 . VAL B 1 74 ? 16.417 24.235 20.835 1.0 22.57 ? 75 VAL B CG2 1 74 . B ATOM 563 N N . THR B 1 75 ? 19.356 21.735 18.474 1.0 19.46 ? 76 THR B N 1 75 . B ATOM 564 C CA . THR B 1 75 ? 20.586 21.015 18.164 1.0 18.16 ? 76 THR B CA 1 75 . B ATOM 565 C C . THR B 1 75 ? 21.213 21.528 16.865 1.0 19.62 ? 76 THR B C 1 75 . B ATOM 566 O O . THR B 1 75 ? 22.422 21.755 16.793 1.0 19.0 ? 76 THR B O 1 75 . B ATOM 567 C CB . THR B 1 75 ? 20.316 19.501 18.020 1.0 17.94 ? 76 THR B CB 1 75 . B ATOM 568 O OG1 . THR B 1 75 ? 19.848 18.980 19.274 1.0 18.08 ? 76 THR B OG1 1 75 . B ATOM 569 C CG2 . THR B 1 75 ? 21.587 18.763 17.607 1.0 17.93 ? 76 THR B CG2 1 75 . B ATOM 570 N N . LEU B 1 76 ? 20.389 21.707 15.838 1.0 18.65 ? 77 LEU B N 1 76 . B ATOM 571 C CA . LEU B 1 76 ? 20.876 22.182 14.544 1.0 20.46 ? 77 LEU B CA 1 76 . B ATOM 572 C C . LEU B 1 76 ? 21.528 23.548 14.707 1.0 21.97 ? 77 LEU B C 1 76 . B ATOM 573 O O . LEU B 1 76 ? 22.569 23.832 14.108 1.0 20.5 ? 77 LEU B O 1 76 . B ATOM 574 C CB . LEU B 1 76 ? 19.718 22.294 13.549 1.0 21.52 ? 77 LEU B CB 1 76 . B ATOM 575 C CG . LEU B 1 76 ? 19.890 21.796 12.109 1.0 26.7 ? 77 LEU B CG 1 76 . B ATOM 576 C CD1 . LEU B 1 76 ? 19.027 22.664 11.210 1.0 22.14 ? 77 LEU B CD1 1 76 . B ATOM 577 C CD2 . LEU B 1 76 ? 21.344 21.824 11.659 1.0 24.71 ? 77 LEU B CD2 1 76 . B ATOM 578 N N . GLY B 1 77 ? 20.899 24.393 15.522 1.0 20.79 ? 78 GLY B N 1 77 . B ATOM 579 C CA . GLY B 1 77 ? 21.429 25.722 15.759 1.0 21.16 ? 78 GLY B CA 1 77 . B ATOM 580 C C . GLY B 1 77 ? 22.792 25.653 16.417 1.0 21.36 ? 78 GLY B C 1 77 . B ATOM 581 O O . GLY B 1 77 ? 23.720 26.329 15.984 1.0 22.33 ? 78 GLY B O 1 77 . B ATOM 582 N N . SER B 1 78 ? 22.919 24.840 17.461 1.0 20.18 ? 79 SER B N 1 78 . B ATOM 583 C CA . SER B 1 78 ? 24.201 24.700 18.148 1.0 19.94 ? 79 SER B CA 1 78 . B ATOM 584 C C . SER B 1 78 ? 25.248 24.135 17.188 1.0 19.64 ? 79 SER B C 1 78 . B ATOM 585 O O . SER B 1 78 ? 26.419 24.550 17.201 1.0 19.1 ? 79 SER B O 1 78 . B ATOM 586 C CB . SER B 1 78 ? 24.068 23.769 19.357 1.0 20.54 ? 79 SER B CB 1 78 . B ATOM 587 O OG . SER B 1 78 ? 23.111 24.250 20.286 1.0 23.75 ? 79 SER B OG 1 78 . B ATOM 588 N N . PHE B 1 79 ? 24.826 23.181 16.360 1.0 18.13 ? 80 PHE B N 1 79 . B ATOM 589 C CA . PHE B 1 79 ? 25.738 22.562 15.407 1.0 19.15 ? 80 PHE B CA 1 79 . B ATOM 590 C C . PHE B 1 79 ? 26.245 23.569 14.380 1.0 19.94 ? 80 PHE B C 1 79 . B ATOM 591 O O . PHE B 1 79 ? 27.431 23.560 14.023 1.0 20.55 ? 80 PHE B O 1 79 . B ATOM 592 C CB . PHE B 1 79 ? 25.061 21.387 14.692 1.0 18.02 ? 80 PHE B CB 1 79 . B ATOM 593 C CG . PHE B 1 79 ? 25.994 20.606 13.809 1.0 17.22 ? 80 PHE B CG 1 79 . B ATOM 594 C CD1 . PHE B 1 79 ? 27.091 19.940 14.353 1.0 19.25 ? 80 PHE B CD1 1 79 . B ATOM 595 C CD2 . PHE B 1 79 ? 25.797 20.558 12.434 1.0 18.1 ? 80 PHE B CD2 1 79 . B ATOM 596 C CE1 . PHE B 1 79 ? 27.980 19.243 13.543 1.0 18.44 ? 80 PHE B CE1 1 79 . B ATOM 597 C CE2 . PHE B 1 79 ? 26.678 19.862 11.611 1.0 19.13 ? 80 PHE B CE2 1 79 . B ATOM 598 C CZ . PHE B 1 79 ? 27.775 19.202 12.164 1.0 19.55 ? 80 PHE B CZ 1 79 . B ATOM 599 N N . GLY B 1 80 ? 25.348 24.432 13.904 1.0 19.22 ? 81 GLY B N 1 80 . B ATOM 600 C CA . GLY B 1 80 ? 25.742 25.442 12.937 1.0 18.29 ? 81 GLY B CA 1 80 . B ATOM 601 C C . GLY B 1 80 ? 26.733 26.421 13.548 1.0 18.95 ? 81 GLY B C 1 80 . B ATOM 602 O O . GLY B 1 80 ? 27.677 26.859 12.885 1.0 17.12 ? 81 GLY B O 1 80 . B ATOM 603 N N . ASP B 1 81 ? 26.524 26.772 14.816 1.0 20.18 ? 82 ASP B N 1 81 . B ATOM 604 C CA . ASP B 1 81 ? 27.429 27.693 15.501 1.0 20.74 ? 82 ASP B CA 1 81 . B ATOM 605 C C . ASP B 1 81 ? 28.794 27.055 15.674 1.0 21.08 ? 82 ASP B C 1 81 . B ATOM 606 O O . ASP B 1 81 ? 29.818 27.712 15.503 1.0 22.0 ? 82 ASP B O 1 81 . B ATOM 607 C CB . ASP B 1 81 ? 26.882 28.076 16.880 1.0 22.77 ? 82 ASP B CB 1 81 . B ATOM 608 C CG . ASP B 1 81 ? 25.685 28.997 16.798 1.0 22.63 ? 82 ASP B CG 1 81 . B ATOM 609 O OD1 . ASP B 1 81 ? 25.007 29.160 17.830 1.0 24.4 ? 82 ASP B OD1 1 81 . B ATOM 610 O OD2 . ASP B 1 81 ? 25.427 29.556 15.709 1.0 24.57 ? 82 ASP B OD2 1 81 . B ATOM 611 N N . TRP B 1 82 ? 28.806 25.769 16.015 1.0 21.18 ? 83 TRP B N 1 82 . B ATOM 612 C CA . TRP B 1 82 ? 30.061 25.047 16.216 1.0 21.79 ? 83 TRP B CA 1 82 . B ATOM 613 C C . TRP B 1 82 ? 30.779 24.868 14.890 1.0 22.07 ? 83 TRP B C 1 82 . B ATOM 614 O O . TRP B 1 82 ? 32.000 25.015 14.799 1.0 22.39 ? 83 TRP B O 1 82 . B ATOM 615 C CB . TRP B 1 82 ? 29.804 23.672 16.845 1.0 21.4 ? 83 TRP B CB 1 82 . B ATOM 616 C CG . TRP B 1 82 ? 31.068 22.874 17.045 1.0 21.39 ? 83 TRP B CG 1 82 . B ATOM 617 C CD1 . TRP B 1 82 ? 31.983 23.013 18.058 1.0 23.84 ? 83 TRP B CD1 1 82 . B ATOM 618 C CD2 . TRP B 1 82 ? 31.585 21.860 16.176 1.0 22.35 ? 83 TRP B CD2 1 82 . B ATOM 619 N NE1 . TRP B 1 82 ? 33.039 22.147 17.866 1.0 22.63 ? 83 TRP B NE1 1 82 . B ATOM 620 C CE2 . TRP B 1 82 ? 32.819 21.430 16.718 1.0 22.8 ? 83 TRP B CE2 1 82 . B ATOM 621 C CE3 . TRP B 1 82 ? 31.126 21.273 14.987 1.0 21.17 ? 83 TRP B CE3 1 82 . B ATOM 622 C CZ2 . TRP B 1 82 ? 33.602 20.438 16.109 1.0 24.03 ? 83 TRP B CZ2 1 82 . B ATOM 623 C CZ3 . TRP B 1 82 ? 31.901 20.287 14.381 1.0 19.49 ? 83 TRP B CZ3 1 82 . B ATOM 624 C CH2 . TRP B 1 82 ? 33.128 19.880 14.944 1.0 22.55 ? 83 TRP B CH2 1 82 . B ATOM 625 N N . ARG B 1 83 ? 30.016 24.547 13.853 1.0 21.86 ? 84 ARG B N 1 83 . B ATOM 626 C CA . ARG B 1 83 ? 30.590 24.359 12.533 1.0 21.24 ? 84 ARG B CA 1 83 . B ATOM 627 C C . ARG B 1 83 ? 31.252 25.657 12.067 1.0 22.41 ? 84 ARG B C 1 83 . B ATOM 628 O O . ARG B 1 83 ? 32.340 25.654 11.482 1.0 21.71 ? 84 ARG B O 1 83 . B ATOM 629 C CB . ARG B 1 83 ? 29.490 23.931 11.563 1.0 24.14 ? 84 ARG B CB 1 83 . B ATOM 630 C CG . ARG B 1 83 ? 29.976 23.594 10.179 1.0 23.61 ? 84 ARG B CG 1 83 . B ATOM 631 C CD . ARG B 1 83 ? 29.601 24.690 9.221 1.0 23.6 ? 84 ARG B CD 1 83 . B ATOM 632 N NE . ARG B 1 83 ? 30.097 24.430 7.872 1.0 24.12 ? 84 ARG B NE 1 83 . B ATOM 633 C CZ . ARG B 1 83 ? 29.865 25.232 6.843 1.0 22.66 ? 84 ARG B CZ 1 83 . B ATOM 634 N NH1 . ARG B 1 83 ? 29.142 26.329 7.024 1.0 18.54 ? 84 ARG B NH1 1 83 . B ATOM 635 N NH2 . ARG B 1 83 ? 30.364 24.948 5.647 1.0 20.67 ? 84 ARG B NH2 1 83 . B ATOM 636 N N . LYS B 1 84 ? 30.604 26.775 12.359 1.0 21.13 ? 85 LYS B N 1 84 . B ATOM 637 C CA . LYS B 1 84 ? 31.124 28.077 11.967 1.0 22.31 ? 85 LYS B CA 1 84 . B ATOM 638 C C . LYS B 1 84 ? 32.345 28.515 12.778 1.0 22.2 ? 85 LYS B C 1 84 . B ATOM 639 O O . LYS B 1 84 ? 33.348 28.954 12.215 1.0 22.1 ? 85 LYS B O 1 84 . B ATOM 640 C CB . LYS B 1 84 ? 30.018 29.123 12.108 1.0 23.33 ? 85 LYS B CB 1 84 . B ATOM 641 C CG . LYS B 1 84 ? 30.456 30.567 11.935 1.0 27.56 ? 85 LYS B CG 1 84 . B ATOM 642 C CD . LYS B 1 84 ? 29.272 31.480 12.230 1.0 29.14 ? 85 LYS B CD 1 84 . B ATOM 643 C CE . LYS B 1 84 ? 29.672 32.933 12.340 1.0 33.05 ? 85 LYS B CE 1 84 . B ATOM 644 N NZ . LYS B 1 84 ? 28.505 33.711 12.867 1.0 35.58 ? 85 LYS B NZ 1 84 . B ATOM 645 N N . VAL B 1 85 ? 32.261 28.385 14.098 1.0 22.84 ? 86 VAL B N 1 85 . B ATOM 646 C CA . VAL B 1 85 ? 33.347 28.825 14.973 1.0 22.62 ? 86 VAL B CA 1 85 . B ATOM 647 C C . VAL B 1 85 ? 34.485 27.832 15.164 1.0 23.93 ? 86 VAL B C 1 85 . B ATOM 648 O O . VAL B 1 85 ? 35.599 28.225 15.500 1.0 25.38 ? 86 VAL B O 1 85 . B ATOM 649 C CB . VAL B 1 85 ? 32.794 29.222 16.368 1.0 22.59 ? 86 VAL B CB 1 85 . B ATOM 650 C CG1 . VAL B 1 85 ? 31.741 30.327 16.210 1.0 23.12 ? 86 VAL B CG1 1 85 . B ATOM 651 C CG2 . VAL B 1 85 ? 32.190 28.016 17.051 1.0 20.26 ? 86 VAL B CG2 1 85 . B ATOM 652 N N . VAL B 1 86 ? 34.218 26.550 14.948 1.0 22.72 ? 87 VAL B N 1 86 . B ATOM 653 C CA . VAL B 1 86 ? 35.255 25.548 15.130 1.0 22.1 ? 87 VAL B CA 1 86 . B ATOM 654 C C . VAL B 1 86 ? 35.636 24.766 13.881 1.0 22.23 ? 87 VAL B C 1 86 . B ATOM 655 O O . VAL B 1 86 ? 36.747 24.915 13.376 1.0 22.64 ? 87 VAL B O 1 86 . B ATOM 656 C CB . VAL B 1 86 ? 34.867 24.533 16.222 1.0 22.61 ? 87 VAL B CB 1 86 . B ATOM 657 C CG1 . VAL B 1 86 ? 36.019 23.552 16.445 1.0 23.62 ? 87 VAL B CG1 1 86 . B ATOM 658 C CG2 . VAL B 1 86 ? 34.524 25.263 17.514 1.0 23.05 ? 87 VAL B CG2 1 86 . B ATOM 659 N N . LEU B 1 87 ? 34.722 23.941 13.375 1.0 19.55 ? 88 LEU B N 1 87 . B ATOM 660 C CA . LEU B 1 87 ? 35.021 23.109 12.215 1.0 20.22 ? 88 LEU B CA 1 87 . B ATOM 661 C C . LEU B 1 87 ? 35.573 23.849 10.996 1.0 21.2 ? 88 LEU B C 1 87 . B ATOM 662 O O . LEU B 1 87 ? 36.595 23.445 10.447 1.0 21.09 ? 88 LEU B O 1 87 . B ATOM 663 C CB . LEU B 1 87 ? 33.790 22.289 11.809 1.0 20.31 ? 88 LEU B CB 1 87 . B ATOM 664 C CG . LEU B 1 87 ? 34.076 21.139 10.833 1.0 19.77 ? 88 LEU B CG 1 87 . B ATOM 665 C CD1 . LEU B 1 87 ? 35.025 20.130 11.496 1.0 21.26 ? 88 LEU B CD1 1 87 . B ATOM 666 C CD2 . LEU B 1 87 ? 32.778 20.453 10.436 1.0 17.32 ? 88 LEU B CD2 1 87 . B ATOM 667 N N . LEU B 1 88 ? 34.916 24.927 10.574 1.0 21.81 ? 89 LEU B N 1 88 . B ATOM 668 C CA . LEU B 1 88 ? 35.381 25.682 9.410 1.0 23.07 ? 89 LEU B CA 1 88 . B ATOM 669 C C . LEU B 1 88 ? 36.789 26.248 9.590 1.0 25.5 ? 89 LEU B C 1 88 . B ATOM 670 O O . LEU B 1 88 ? 37.505 26.470 8.615 1.0 25.21 ? 89 LEU B O 1 88 . B ATOM 671 C CB . LEU B 1 88 ? 34.408 26.820 9.076 1.0 24.15 ? 89 LEU B CB 1 88 . B ATOM 672 C CG . LEU B 1 88 ? 33.224 26.497 8.159 1.0 25.8 ? 89 LEU B CG 1 88 . B ATOM 673 C CD1 . LEU B 1 88 ? 32.326 27.730 8.021 1.0 24.64 ? 89 LEU B CD1 1 88 . B ATOM 674 C CD2 . LEU B 1 88 ? 33.741 26.064 6.789 1.0 26.88 ? 89 LEU B CD2 1 88 . B ATOM 675 N N . SER B 1 89 ? 37.188 26.482 10.834 1.0 26.8 ? 90 SER B N 1 89 . B ATOM 676 C CA . SER B 1 89 ? 38.525 27.003 11.100 1.0 28.11 ? 90 SER B CA 1 89 . B ATOM 677 C C . SER B 1 89 ? 39.563 25.885 10.993 1.0 27.87 ? 90 SER B C 1 89 . B ATOM 678 O O . SER B 1 89 ? 40.751 26.146 10.803 1.0 29.81 ? 90 SER B O 1 89 . B ATOM 679 C CB . SER B 1 89 ? 38.584 27.638 12.491 1.0 30.54 ? 90 SER B CB 1 89 . B ATOM 680 O OG . SER B 1 89 ? 37.865 28.865 12.519 1.0 36.09 ? 90 SER B OG 1 89 . B ATOM 681 N N . GLN B 1 90 ? 39.115 24.638 11.112 1.0 25.16 ? 91 GLN B N 1 90 . B ATOM 682 C CA . GLN B 1 90 ? 40.030 23.508 11.023 1.0 24.82 ? 91 GLN B CA 1 90 . B ATOM 683 C C . GLN B 1 90 ? 40.171 23.033 9.586 1.0 24.37 ? 91 GLN B C 1 90 . B ATOM 684 O O . GLN B 1 90 ? 41.273 22.721 9.139 1.0 24.65 ? 91 GLN B O 1 90 . B ATOM 685 C CB . GLN B 1 90 ? 39.548 22.354 11.903 1.0 24.71 ? 91 GLN B CB 1 90 . B ATOM 686 C CG . GLN B 1 90 ? 39.313 22.743 13.361 1.0 27.16 ? 91 GLN B CG 1 90 . B ATOM 687 C CD . GLN B 1 90 ? 38.611 21.651 14.144 1.0 26.94 ? 91 GLN B CD 1 90 . B ATOM 688 O OE1 . GLN B 1 90 ? 37.807 20.898 13.593 1.0 27.48 ? 91 GLN B OE1 1 90 . B ATOM 689 N NE2 . GLN B 1 90 ? 38.893 21.573 15.439 1.0 29.61 ? 91 GLN B NE2 1 90 . B ATOM 690 N N . GLN B 1 91 ? 39.063 22.989 8.853 1.0 23.26 ? 92 GLN B N 1 91 . B ATOM 691 C CA . GLN B 1 91 ? 39.105 22.540 7.467 1.0 23.87 ? 92 GLN B CA 1 91 . B ATOM 692 C C . GLN B 1 91 ? 37.956 23.109 6.650 1.0 23.92 ? 92 GLN B C 1 91 . B ATOM 693 O O . GLN B 1 91 ? 36.800 23.029 7.055 1.0 22.87 ? 92 GLN B O 1 91 . B ATOM 694 C CB . GLN B 1 91 ? 39.045 21.011 7.404 1.0 25.56 ? 92 GLN B CB 1 91 . B ATOM 695 C CG . GLN B 1 91 ? 39.440 20.447 6.046 1.0 26.89 ? 92 GLN B CG 1 91 . B ATOM 696 C CD . GLN B 1 91 ? 39.249 18.949 5.950 1.0 28.42 ? 92 GLN B CD 1 91 . B ATOM 697 O OE1 . GLN B 1 91 ? 39.518 18.216 6.897 1.0 30.58 ? 92 GLN B OE1 1 91 . B ATOM 698 N NE2 . GLN B 1 91 ? 38.790 18.485 4.794 1.0 30.35 ? 92 GLN B NE2 1 91 . B ATOM 699 N N . ALA B 1 92 ? 38.275 23.672 5.490 1.0 23.88 ? 93 ALA B N 1 92 . B ATOM 700 C CA . ALA B 1 92 ? 37.255 24.241 4.618 1.0 23.23 ? 93 ALA B CA 1 92 . B ATOM 701 C C . ALA B 1 92 ? 36.340 23.141 4.078 1.0 22.36 ? 93 ALA B C 1 92 . B ATOM 702 O O . ALA B 1 92 ? 36.783 22.028 3.818 1.0 23.06 ? 93 ALA B O 1 92 . B ATOM 703 C CB . ALA B 1 92 ? 37.921 24.985 3.449 1.0 25.33 ? 93 ALA B CB 1 92 . B ATOM 704 N N . HIS B 1 93 ? 35.059 23.461 3.931 1.0 21.19 ? 94 HIS B N 1 93 . B ATOM 705 C CA . HIS B 1 93 ? 34.060 22.541 3.390 1.0 18.93 ? 94 HIS B CA 1 93 . B ATOM 706 C C . HIS B 1 93 ? 32.799 23.365 3.110 1.0 17.8 ? 94 HIS B C 1 93 . B ATOM 707 O O . HIS B 1 93 ? 32.638 24.452 3.648 1.0 17.92 ? 94 HIS B O 1 93 . B ATOM 708 C CB . HIS B 1 93 ? 33.766 21.397 4.366 1.0 18.97 ? 94 HIS B CB 1 93 . B ATOM 709 C CG . HIS B 1 93 ? 33.254 21.847 5.695 1.0 19.07 ? 94 HIS B CG 1 93 . B ATOM 710 N ND1 . HIS B 1 93 ? 34.067 22.414 6.653 1.0 16.69 ? 94 HIS B ND1 1 93 . B ATOM 711 C CD2 . HIS B 1 93 ? 32.006 21.829 6.220 1.0 18.2 ? 94 HIS B CD2 1 93 . B ATOM 712 C CE1 . HIS B 1 93 ? 33.342 22.726 7.711 1.0 18.1 ? 94 HIS B CE1 1 93 . B ATOM 713 N NE2 . HIS B 1 93 ? 32.088 22.382 7.474 1.0 18.01 ? 94 HIS B NE2 1 93 . B ATOM 714 N N . ASP B 1 94 ? 31.915 22.850 2.266 1.0 17.86 ? 95 ASP B N 1 94 . B ATOM 715 C CA . ASP B 1 94 ? 30.707 23.584 1.871 1.0 17.17 ? 95 ASP B CA 1 94 . B ATOM 716 C C . ASP B 1 94 ? 29.498 23.477 2.775 1.0 17.98 ? 95 ASP B C 1 94 . B ATOM 717 O O . ASP B 1 94 ? 28.684 24.397 2.851 1.0 17.68 ? 95 ASP B O 1 94 . B ATOM 718 C CB . ASP B 1 94 ? 30.248 23.122 0.490 1.0 17.13 ? 95 ASP B CB 1 94 . B ATOM 719 C CG . ASP B 1 94 ? 31.285 23.354 -0.575 1.0 20.0 ? 95 ASP B CG 1 94 . B ATOM 720 O OD1 . ASP B 1 94 ? 31.287 22.595 -1.571 1.0 17.07 ? 95 ASP B OD1 1 94 . B ATOM 721 O OD2 . ASP B 1 94 ? 32.078 24.302 -0.415 1.0 18.88 ? 95 ASP B OD2 1 94 . B ATOM 722 N N . CYS B 1 95 ? 29.374 22.345 3.443 1.0 18.2 ? 96 CYS B N 1 95 . B ATOM 723 C CA . CYS B 1 95 ? 28.198 22.087 4.246 1.0 18.57 ? 96 CYS B CA 1 95 . B ATOM 724 C C . CYS B 1 95 ? 28.536 20.923 5.170 1.0 19.97 ? 96 CYS B C 1 95 . B ATOM 725 O O . CYS B 1 95 ? 29.338 20.062 4.816 1.0 17.97 ? 96 CYS B O 1 95 . B ATOM 726 C CB . CYS B 1 95 ? 27.069 21.724 3.268 1.0 18.21 ? 96 CYS B CB 1 95 . B ATOM 727 S SG . CYS B 1 95 ? 25.468 21.209 3.920 1.0 19.85 ? 96 CYS B SG 1 95 . B ATOM 728 N N . ALA B 1 96 ? 27.949 20.908 6.361 1.0 18.49 ? 97 ALA B N 1 96 . B ATOM 729 C CA . ALA B 1 96 ? 28.212 19.826 7.297 1.0 17.83 ? 97 ALA B CA 1 96 . B ATOM 730 C C . ALA B 1 96 ? 26.915 19.262 7.829 1.0 18.63 ? 97 ALA B C 1 96 . B ATOM 731 O O . ALA B 1 96 ? 25.990 20.008 8.153 1.0 17.79 ? 97 ALA B O 1 96 . B ATOM 732 C CB . ALA B 1 96 ? 29.071 20.320 8.452 1.0 17.12 ? 97 ALA B CB 1 96 . B ATOM 733 N N . PHE B 1 97 ? 26.847 17.937 7.902 1.0 17.88 ? 98 PHE B N 1 97 . B ATOM 734 C CA . PHE B 1 97 ? 25.672 17.263 8.425 1.0 18.09 ? 98 PHE B CA 1 97 . B ATOM 735 C C . PHE B 1 97 ? 26.031 16.499 9.683 1.0 18.6 ? 98 PHE B C 1 97 . B ATOM 736 O O . PHE B 1 97 ? 27.069 15.831 9.738 1.0 17.03 ? 98 PHE B O 1 97 . B ATOM 737 C CB . PHE B 1 97 ? 25.096 16.290 7.389 1.0 18.06 ? 98 PHE B CB 1 97 . B ATOM 738 C CG . PHE B 1 97 ? 24.130 16.924 6.444 1.0 20.44 ? 98 PHE B CG 1 97 . B ATOM 739 C CD1 . PHE B 1 97 ? 24.303 18.234 6.034 1.0 22.08 ? 98 PHE B CD1 1 97 . B ATOM 740 C CD2 . PHE B 1 97 ? 23.048 16.217 5.961 1.0 21.44 ? 98 PHE B CD2 1 97 . B ATOM 741 C CE1 . PHE B 1 97 ? 23.412 18.816 5.165 1.0 22.03 ? 98 PHE B CE1 1 97 . B ATOM 742 C CE2 . PHE B 1 97 ? 22.161 16.799 5.091 1.0 24.5 ? 98 PHE B CE2 1 97 . B ATOM 743 C CZ . PHE B 1 97 ? 22.345 18.101 4.695 1.0 23.51 ? 98 PHE B CZ 1 97 . B ATOM 744 N N . LEU B 1 98 ? 25.181 16.628 10.698 1.0 16.55 ? 99 LEU B N 1 98 . B ATOM 745 C CA . LEU B 1 98 ? 25.365 15.917 11.954 1.0 17.52 ? 99 LEU B CA 1 98 . B ATOM 746 C C . LEU B 1 98 ? 24.534 14.639 11.843 1.0 17.48 ? 99 LEU B C 1 98 . B ATOM 747 O O . LEU B 1 98 ? 23.315 14.703 11.658 1.0 16.61 ? 99 LEU B O 1 98 . B ATOM 748 C CB . LEU B 1 98 ? 24.872 16.767 13.137 1.0 17.16 ? 99 LEU B CB 1 98 . B ATOM 749 C CG . LEU B 1 98 ? 24.927 16.112 14.532 1.0 17.23 ? 99 LEU B CG 1 98 . B ATOM 750 C CD1 . LEU B 1 98 ? 26.363 15.804 14.898 1.0 18.15 ? 99 LEU B CD1 1 98 . B ATOM 751 C CD2 . LEU B 1 98 ? 24.303 17.039 15.573 1.0 19.18 ? 99 LEU B CD2 1 98 . B ATOM 752 N N . ASN B 1 99 ? 25.210 13.489 11.924 1.0 18.33 ? 100 ASN B N 1 99 . B ATOM 753 C CA . ASN B 1 99 ? 24.585 12.157 11.847 1.0 18.73 ? 100 ASN B CA 1 99 . B ATOM 754 C C . ASN B 1 99 ? 24.387 11.751 13.306 1.0 18.3 ? 100 ASN B C 1 99 . B ATOM 755 O O . ASN B 1 99 ? 25.361 11.550 14.026 1.0 18.47 ? 100 ASN B O 1 99 . B ATOM 756 C CB . ASN B 1 99 ? 25.559 11.192 11.155 1.0 21.75 ? 100 ASN B CB 1 99 . B ATOM 757 C CG . ASN B 1 99 ? 24.909 9.902 10.689 1.0 26.56 ? 100 ASN B CG 1 99 . B ATOM 758 O OD1 . ASN B 1 99 ? 25.611 8.951 10.304 1.0 31.58 ? 100 ASN B OD1 1 99 . B ATOM 759 N ND2 . ASN B 1 99 ? 23.582 9.860 10.681 1.0 29.0 ? 100 ASN B ND2 1 99 . B ATOM 760 N N . THR B 1 100 ? 23.141 11.611 13.743 1.0 18.62 ? 101 THR B N 1 100 . B ATOM 761 C CA . THR B 1 100 ? 22.877 11.300 15.149 1.0 19.71 ? 101 THR B CA 1 100 . B ATOM 762 C C . THR B 1 100 ? 21.946 10.114 15.400 1.0 19.24 ? 101 THR B C 1 100 . B ATOM 763 O O . THR B 1 100 ? 21.067 9.823 14.596 1.0 19.55 ? 101 THR B O 1 100 . B ATOM 764 C CB . THR B 1 100 ? 22.270 12.543 15.847 1.0 21.6 ? 101 THR B CB 1 100 . B ATOM 765 O OG1 . THR B 1 100 ? 22.066 12.271 17.236 1.0 22.17 ? 101 THR B OG1 1 100 . B ATOM 766 C CG2 . THR B 1 100 ? 20.931 12.903 15.207 1.0 21.05 ? 101 THR B CG2 1 100 . B ATOM 767 N N . ALA B 1 101 ? 22.135 9.445 16.535 1.0 18.89 ? 102 ALA B N 1 101 . B ATOM 768 C CA . ALA B 1 101 ? 21.295 8.302 16.891 1.0 20.13 ? 102 ALA B CA 1 101 . B ATOM 769 C C . ALA B 1 101 ? 20.157 8.722 17.825 1.0 23.08 ? 102 ALA B C 1 101 . B ATOM 770 O O . ALA B 1 101 ? 19.272 7.927 18.141 1.0 22.97 ? 102 ALA B O 1 101 . B ATOM 771 C CB . ALA B 1 101 ? 22.135 7.232 17.557 1.0 21.22 ? 102 ALA B CB 1 101 . B ATOM 772 N N . THR B 1 102 ? 20.184 9.980 18.251 1.0 24.08 ? 103 THR B N 1 102 . B ATOM 773 C CA . THR B 1 102 ? 19.187 10.525 19.168 1.0 24.92 ? 103 THR B CA 1 102 . B ATOM 774 C C . THR B 1 102 ? 17.780 10.657 18.577 1.0 23.9 ? 103 THR B C 1 102 . B ATOM 775 O O . THR B 1 102 ? 17.602 11.220 17.507 1.0 21.59 ? 103 THR B O 1 102 . B ATOM 776 C CB . THR B 1 102 ? 19.638 11.917 19.665 1.0 27.6 ? 103 THR B CB 1 102 . B ATOM 777 O OG1 . THR B 1 102 ? 20.964 11.819 20.200 1.0 29.54 ? 103 THR B OG1 1 102 . B ATOM 778 C CG2 . THR B 1 102 ? 18.700 12.442 20.750 1.0 28.14 ? 103 THR B CG2 1 102 . B ATOM 779 N N . ALA B 1 103 ? 16.778 10.145 19.286 1.0 24.22 ? 104 ALA B N 1 103 . B ATOM 780 C CA . ALA B 1 103 ? 15.400 10.253 18.809 1.0 23.57 ? 104 ALA B CA 1 103 . B ATOM 781 C C . ALA B 1 103 ? 14.994 11.721 18.979 1.0 22.69 ? 104 ALA B C 1 103 . B ATOM 782 O O . ALA B 1 103 ? 15.312 12.336 19.994 1.0 22.43 ? 104 ALA B O 1 103 . B ATOM 783 C CB . ALA B 1 103 ? 14.482 9.348 19.631 1.0 25.28 ? 104 ALA B CB 1 103 . B ATOM 784 N N . LEU B 1 104 ? 14.315 12.282 17.984 1.0 22.3 ? 105 LEU B N 1 104 . B ATOM 785 C CA . LEU B 1 104 ? 13.896 13.684 18.040 1.0 23.23 ? 105 LEU B CA 1 104 . B ATOM 786 C C . LEU B 1 104 ? 12.537 13.798 18.729 1.0 23.65 ? 105 LEU B C 1 104 . B ATOM 787 O O . LEU B 1 104 ? 11.675 12.944 18.536 1.0 23.11 ? 105 LEU B O 1 104 . B ATOM 788 C CB . LEU B 1 104 ? 13.854 14.263 16.622 1.0 21.59 ? 105 LEU B CB 1 104 . B ATOM 789 C CG . LEU B 1 104 ? 15.221 14.134 15.926 1.0 21.57 ? 105 LEU B CG 1 104 . B ATOM 790 C CD1 . LEU B 1 104 ? 15.169 14.744 14.534 1.0 21.81 ? 105 LEU B CD1 1 104 . B ATOM 791 C CD2 . LEU B 1 104 ? 16.292 14.821 16.765 1.0 19.81 ? 105 LEU B CD2 1 104 . B ATOM 792 N N . ASP B 1 105 ? 12.347 14.848 19.529 1.0 24.85 ? 106 ASP B N 1 105 . B ATOM 793 C CA . ASP B 1 105 ? 11.095 15.000 20.278 1.0 25.2 ? 106 ASP B CA 1 105 . B ATOM 794 C C . ASP B 1 105 ? 9.881 15.077 19.379 1.0 27.09 ? 106 ASP B C 1 105 . B ATOM 795 O O . ASP B 1 105 ? 8.741 14.880 19.816 1.0 27.51 ? 106 ASP B O 1 105 . B ATOM 796 C CB . ASP B 1 105 ? 11.164 16.212 21.234 1.0 24.8 ? 106 ASP B CB 1 105 . B ATOM 797 C CG . ASP B 1 105 ? 11.149 17.573 20.524 1.0 23.9 ? 106 ASP B CG 1 105 . B ATOM 798 O OD1 . ASP B 1 105 ? 11.278 18.585 21.240 1.0 23.76 ? 106 ASP B OD1 1 105 . B ATOM 799 O OD2 . ASP B 1 105 ? 11.005 17.656 19.290 1.0 23.13 ? 106 ASP B OD2 1 105 . B ATOM 800 N N . ASP B 1 106 ? 10.186 15.307 18.109 1.0 27.88 ? 107 ASP B N 1 106 . B ATOM 801 C CA . ASP B 1 106 ? 9.275 15.454 16.983 1.0 29.8 ? 107 ASP B CA 1 106 . B ATOM 802 C C . ASP B 1 106 ? 8.890 14.129 16.338 1.0 29.04 ? 107 ASP B C 1 106 . B ATOM 803 O O . ASP B 1 106 ? 7.873 14.031 15.638 1.0 25.95 ? 107 ASP B O 1 106 . B ATOM 804 C CB . ASP B 1 106 ? 10.000 16.271 15.910 1.0 30.23 ? 107 ASP B CB 1 106 . B ATOM 805 C CG . ASP B 1 106 ? 9.521 17.676 15.836 1.0 33.49 ? 107 ASP B CG 1 106 . B ATOM 806 O OD1 . ASP B 1 106 ? 9.319 18.298 16.906 1.0 41.02 ? 107 ASP B OD1 1 106 . B ATOM 807 O OD2 . ASP B 1 106 ? 9.353 18.164 14.703 1.0 30.94 ? 107 ASP B OD2 1 106 . B ATOM 808 N N . SER B 1 107 ? 9.729 13.124 16.560 1.0 29.22 ? 108 SER B N 1 107 . B ATOM 809 C CA . SER B 1 107 ? 9.556 11.827 15.928 1.0 29.76 ? 108 SER B CA 1 107 . B ATOM 810 C C . SER B 1 107 ? 9.919 12.055 14.460 1.0 28.75 ? 108 SER B C 1 107 . B ATOM 811 O O . SER B 1 107 ? 9.610 11.238 13.596 1.0 29.2 ? 108 SER B O 1 107 . B ATOM 812 C CB . SER B 1 107 ? 8.120 11.314 16.053 1.0 32.48 ? 108 SER B CB 1 107 . B ATOM 813 O OG . SER B 1 107 ? 7.935 10.635 17.287 1.0 37.96 ? 108 SER B OG 1 107 . B ATOM 814 N N . THR B 1 108 ? 10.550 13.198 14.182 1.0 25.81 ? 109 THR B N 1 108 . B ATOM 815 C CA . THR B 1 108 ? 10.996 13.503 12.824 1.0 25.07 ? 109 THR B CA 1 108 . B ATOM 816 C C . THR B 1 108 ? 12.359 12.830 12.709 1.0 23.14 ? 109 THR B C 1 108 . B ATOM 817 O O . THR B 1 108 ? 12.883 12.322 13.707 1.0 23.02 ? 109 THR B O 1 108 . B ATOM 818 C CB . THR B 1 108 ? 11.144 15.029 12.572 1.0 24.5 ? 109 THR B CB 1 108 . B ATOM 819 O OG1 . THR B 1 108 ? 11.955 15.617 13.596 1.0 23.5 ? 109 THR B OG1 1 108 . B ATOM 820 C CG2 . THR B 1 108 ? 9.771 15.703 12.537 1.0 26.16 ? 109 THR B CG2 1 108 . B ATOM 821 N N . ILE B 1 109 ? 12.944 12.829 11.514 1.0 21.8 ? 110 ILE B N 1 109 . B ATOM 822 C CA . ILE B 1 109 ? 14.233 12.169 11.325 1.0 20.38 ? 110 ILE B CA 1 109 . B ATOM 823 C C . ILE B 1 109 ? 15.324 13.017 10.685 1.0 20.46 ? 110 ILE B C 1 109 . B ATOM 824 O O . ILE B 1 109 ? 16.360 12.492 10.275 1.0 18.38 ? 110 ILE B O 1 109 . B ATOM 825 C CB . ILE B 1 109 ? 14.065 10.889 10.482 1.0 21.83 ? 110 ILE B CB 1 109 . B ATOM 826 C CG1 . ILE B 1 109 ? 13.444 11.243 9.127 1.0 22.78 ? 110 ILE B CG1 1 109 . B ATOM 827 C CG2 . ILE B 1 109 ? 13.202 9.883 11.244 1.0 23.33 ? 110 ILE B CG2 1 109 . B ATOM 828 C CD1 . ILE B 1 109 ? 13.241 10.052 8.200 1.0 26.42 ? 110 ILE B CD1 1 109 . B ATOM 829 N N . GLY B 1 110 ? 15.099 14.323 10.607 1.0 20.39 ? 111 GLY B N 1 110 . B ATOM 830 C CA . GLY B 1 110 ? 16.098 15.198 10.020 1.0 19.57 ? 111 GLY B CA 1 110 . B ATOM 831 C C . GLY B 1 110 ? 15.658 16.645 10.030 1.0 20.37 ? 111 GLY B C 1 110 . B ATOM 832 O O . GLY B 1 110 ? 14.503 16.948 10.330 1.0 19.09 ? 111 GLY B O 1 110 . B ATOM 833 N N . LEU B 1 111 ? 16.586 17.541 9.705 1.0 19.16 ? 112 LEU B N 1 111 . B ATOM 834 C CA . LEU B 1 111 ? 16.302 18.971 9.658 1.0 18.75 ? 112 LEU B CA 1 111 . B ATOM 835 C C . LEU B 1 111 ? 17.456 19.667 8.950 1.0 19.13 ? 112 LEU B C 1 111 . B ATOM 836 O O . LEU B 1 111 ? 18.606 19.234 9.051 1.0 19.46 ? 112 LEU B O 1 111 . B ATOM 837 C CB . LEU B 1 111 ? 16.166 19.538 11.072 1.0 18.68 ? 112 LEU B CB 1 111 . B ATOM 838 C CG . LEU B 1 111 ? 15.639 20.974 11.162 1.0 19.61 ? 112 LEU B CG 1 111 . B ATOM 839 C CD1 . LEU B 1 111 ? 14.162 20.996 10.772 1.0 21.9 ? 112 LEU B CD1 1 111 . B ATOM 840 C CD2 . LEU B 1 111 ? 15.816 21.498 12.579 1.0 19.99 ? 112 LEU B CD2 1 111 . B ATOM 841 N N . ALA B 1 112 ? 17.152 20.745 8.239 1.0 18.03 ? 113 ALA B N 1 112 . B ATOM 842 C CA . ALA B 1 112 ? 18.181 21.484 7.525 1.0 18.92 ? 113 ALA B CA 1 112 . B ATOM 843 C C . ALA B 1 112 ? 17.695 22.903 7.275 1.0 20.04 ? 113 ALA B C 1 112 . B ATOM 844 O O . ALA B 1 112 ? 16.496 23.170 7.328 1.0 19.5 ? 113 ALA B O 1 112 . B ATOM 845 C CB . ALA B 1 112 ? 18.491 20.796 6.200 1.0 20.59 ? 113 ALA B CB 1 112 . B ATOM 846 N N . TYR B 1 113 ? 18.623 23.815 7.010 1.0 18.15 ? 114 TYR B N 1 113 . B ATOM 847 C CA . TYR B 1 113 ? 18.236 25.187 6.736 1.0 19.53 ? 114 TYR B CA 1 113 . B ATOM 848 C C . TYR B 1 113 ? 18.002 25.320 5.240 1.0 19.32 ? 114 TYR B C 1 113 . B ATOM 849 O O . TYR B 1 113 ? 18.893 25.047 4.436 1.0 18.26 ? 114 TYR B O 1 113 . B ATOM 850 C CB . TYR B 1 113 ? 19.326 26.152 7.197 1.0 18.96 ? 114 TYR B CB 1 113 . B ATOM 851 C CG . TYR B 1 113 ? 19.505 26.182 8.700 1.0 19.24 ? 114 TYR B CG 1 113 . B ATOM 852 C CD1 . TYR B 1 113 ? 18.497 26.680 9.531 1.0 18.81 ? 114 TYR B CD1 1 113 . B ATOM 853 C CD2 . TYR B 1 113 ? 20.686 25.726 9.291 1.0 18.06 ? 114 TYR B CD2 1 113 . B ATOM 854 C CE1 . TYR B 1 113 ? 18.665 26.728 10.915 1.0 18.83 ? 114 TYR B CE1 1 113 . B ATOM 855 C CE2 . TYR B 1 113 ? 20.863 25.769 10.671 1.0 19.32 ? 114 TYR B CE2 1 113 . B ATOM 856 C CZ . TYR B 1 113 ? 19.852 26.275 11.476 1.0 20.04 ? 114 TYR B CZ 1 113 . B ATOM 857 O OH . TYR B 1 113 ? 20.053 26.368 12.833 1.0 19.52 ? 114 TYR B OH 1 113 . B ATOM 858 N N . SER B 1 114 ? 16.790 25.719 4.865 1.0 18.92 ? 115 SER B N 1 114 . B ATOM 859 C CA . SER B 1 114 ? 16.467 25.872 3.455 1.0 18.72 ? 115 SER B CA 1 114 . B ATOM 860 C C . SER B 1 114 ? 17.304 27.000 2.875 1.0 17.95 ? 115 SER B C 1 114 . B ATOM 861 O O . SER B 1 114 ? 17.418 28.064 3.483 1.0 17.08 ? 115 SER B O 1 114 . B ATOM 862 C CB . SER B 1 114 ? 14.970 26.144 3.290 1.0 22.25 ? 115 SER B CB 1 114 . B ATOM 863 O OG . SER B 1 114 ? 14.226 24.978 3.651 1.0 28.54 ? 115 SER B OG 1 114 . B ATOM 864 N N . ASN B 1 115 ? 17.910 26.741 1.717 1.0 16.72 ? 116 ASN B N 1 115 . B ATOM 865 C CA . ASN B 1 115 ? 18.764 27.704 1.029 1.0 19.17 ? 116 ASN B CA 1 115 . B ATOM 866 C C . ASN B 1 115 ? 19.981 28.115 1.852 1.0 18.18 ? 116 ASN B C 1 115 . B ATOM 867 O O . ASN B 1 115 ? 20.545 29.194 1.654 1.0 18.62 ? 116 ASN B O 1 115 . B ATOM 868 C CB . ASN B 1 115 ? 17.963 28.947 0.648 1.0 20.24 ? 116 ASN B CB 1 115 . B ATOM 869 C CG . ASN B 1 115 ? 16.841 28.637 -0.315 1.0 20.18 ? 116 ASN B CG 1 115 . B ATOM 870 O OD1 . ASN B 1 115 ? 17.077 28.188 -1.436 1.0 21.25 ? 116 ASN B OD1 1 115 . B ATOM 871 N ND2 . ASN B 1 115 ? 15.606 28.871 0.119 1.0 20.33 ? 116 ASN B ND2 1 115 . B ATOM 872 N N . GLY B 1 116 ? 20.402 27.247 2.762 1.0 17.69 ? 117 GLY B N 1 116 . B ATOM 873 C CA . GLY B 1 116 ? 21.545 27.579 3.590 1.0 17.72 ? 117 GLY B CA 1 116 . B ATOM 874 C C . GLY B 1 116 ? 22.899 27.227 2.999 1.0 17.66 ? 117 GLY B C 1 116 . B ATOM 875 O O . GLY B 1 116 ? 23.918 27.604 3.565 1.0 17.79 ? 117 GLY B O 1 116 . B ATOM 876 N N . MET B 1 117 ? 22.921 26.523 1.868 1.0 17.18 ? 118 MET B N 1 117 . B ATOM 877 C CA . MET B 1 117 ? 24.188 26.105 1.258 1.0 17.74 ? 118 MET B CA 1 117 . B ATOM 878 C C . MET B 1 117 ? 25.269 27.188 1.187 1.0 17.69 ? 118 MET B C 1 117 . B ATOM 879 O O . MET B 1 117 ? 25.044 28.266 0.642 1.0 18.2 ? 118 MET B O 1 117 . B ATOM 880 C CB . MET B 1 117 ? 23.940 25.535 -0.143 1.0 17.3 ? 118 MET B CB 1 117 . B ATOM 881 C CG . MET B 1 117 ? 25.190 24.957 -0.824 1.0 18.43 ? 118 MET B CG 1 117 . B ATOM 882 S SD . MET B 1 117 ? 26.043 23.691 0.161 1.0 19.43 ? 118 MET B SD 1 117 . B ATOM 883 C CE . MET B 1 117 ? 24.815 22.373 0.162 1.0 19.28 ? 118 MET B CE 1 117 . B ATOM 884 N N . CYS B 1 118 ? 26.435 26.865 1.754 1.0 17.33 ? 119 CYS B N 1 118 . B ATOM 885 C CA . CYS B 1 118 ? 27.633 27.723 1.805 1.0 16.36 ? 119 CYS B CA 1 118 . B ATOM 886 C C . CYS B 1 118 ? 27.684 28.760 2.922 1.0 16.86 ? 119 CYS B C 1 118 . B ATOM 887 O O . CYS B 1 118 ? 28.755 29.287 3.229 1.0 16.57 ? 119 CYS B O 1 118 . B ATOM 888 C CB . CYS B 1 118 ? 27.879 28.436 0.469 1.0 20.4 ? 119 CYS B CB 1 118 . B ATOM 889 S SG . CYS B 1 118 ? 28.141 27.366 -0.987 1.0 22.65 ? 119 CYS B SG 1 118 . B ATOM 890 N N . ASP B 1 119 ? 26.547 29.079 3.530 1.0 15.32 ? 120 ASP B N 1 119 . B ATOM 891 C CA . ASP B 1 119 ? 26.573 30.063 4.611 1.0 16.22 ? 120 ASP B CA 1 119 . B ATOM 892 C C . ASP B 1 119 ? 27.385 29.499 5.778 1.0 17.09 ? 120 ASP B C 1 119 . B ATOM 893 O O . ASP B 1 119 ? 27.269 28.324 6.101 1.0 17.1 ? 120 ASP B O 1 119 . B ATOM 894 C CB . ASP B 1 119 ? 25.159 30.390 5.078 1.0 15.51 ? 120 ASP B CB 1 119 . B ATOM 895 C CG . ASP B 1 119 ? 25.139 31.500 6.103 1.0 17.3 ? 120 ASP B CG 1 119 . B ATOM 896 O OD1 . ASP B 1 119 ? 25.103 31.190 7.313 1.0 17.24 ? 120 ASP B OD1 1 119 . B ATOM 897 O OD2 . ASP B 1 119 ? 25.184 32.686 5.699 1.0 16.82 ? 120 ASP B OD2 1 119 . B ATOM 898 N N . PRO B 1 120 ? 28.219 30.330 6.422 1.0 18.67 ? 121 PRO B N 1 120 . B ATOM 899 C CA . PRO B 1 120 ? 29.030 29.839 7.546 1.0 18.8 ? 121 PRO B CA 1 120 . B ATOM 900 C C . PRO B 1 120 ? 28.231 29.160 8.653 1.0 20.95 ? 121 PRO B C 1 120 . B ATOM 901 O O . PRO B 1 120 ? 28.673 28.162 9.219 1.0 20.63 ? 121 PRO B O 1 120 . B ATOM 902 C CB . PRO B 1 120 ? 29.745 31.102 8.040 1.0 20.05 ? 121 PRO B CB 1 120 . B ATOM 903 C CG . PRO B 1 120 ? 29.910 31.906 6.785 1.0 19.32 ? 121 PRO B CG 1 120 . B ATOM 904 C CD . PRO B 1 120 ? 28.544 31.737 6.111 1.0 19.14 ? 121 PRO B CD 1 120 . B ATOM 905 N N . LYS B 1 121 ? 27.051 29.696 8.951 1.0 19.76 ? 122 LYS B N 1 121 . B ATOM 906 C CA . LYS B 1 121 ? 26.217 29.144 10.006 1.0 19.61 ? 122 LYS B CA 1 121 . B ATOM 907 C C . LYS B 1 121 ? 25.075 28.258 9.524 1.0 19.42 ? 122 LYS B C 1 121 . B ATOM 908 O O . LYS B 1 121 ? 24.816 27.210 10.115 1.0 19.96 ? 122 LYS B O 1 121 . B ATOM 909 C CB . LYS B 1 121 ? 25.646 30.283 10.864 1.0 19.52 ? 122 LYS B CB 1 121 . B ATOM 910 C CG . LYS B 1 121 ? 24.926 29.824 12.130 1.0 24.42 ? 122 LYS B CG 1 121 . B ATOM 911 C CD . LYS B 1 121 ? 23.471 29.489 11.893 1.0 26.47 ? 122 LYS B CD 1 121 . B ATOM 912 C CE . LYS B 1 121 ? 22.844 28.864 13.147 1.0 30.75 ? 122 LYS B CE 1 121 . B ATOM 913 N NZ . LYS B 1 121 ? 23.068 29.679 14.384 1.0 25.44 ? 122 LYS B NZ 1 121 . B ATOM 914 N N . PHE B 1 122 ? 24.399 28.653 8.451 1.0 17.91 ? 123 PHE B N 1 122 . B ATOM 915 C CA . PHE B 1 122 ? 23.251 27.874 7.985 1.0 18.46 ? 123 PHE B CA 1 122 . B ATOM 916 C C . PHE B 1 122 ? 23.484 26.748 6.983 1.0 19.25 ? 123 PHE B C 1 122 . B ATOM 917 O O . PHE B 1 122 ? 22.522 26.107 6.527 1.0 18.92 ? 123 PHE B O 1 122 . B ATOM 918 C CB . PHE B 1 122 ? 22.172 28.823 7.458 1.0 19.27 ? 123 PHE B CB 1 122 . B ATOM 919 C CG . PHE B 1 122 ? 21.669 29.782 8.499 1.0 20.8 ? 123 PHE B CG 1 122 . B ATOM 920 C CD1 . PHE B 1 122 ? 22.109 31.106 8.521 1.0 20.82 ? 123 PHE B CD1 1 122 . B ATOM 921 C CD2 . PHE B 1 122 ? 20.799 29.343 9.497 1.0 21.54 ? 123 PHE B CD2 1 122 . B ATOM 922 C CE1 . PHE B 1 122 ? 21.691 31.982 9.524 1.0 20.79 ? 123 PHE B CE1 1 122 . B ATOM 923 C CE2 . PHE B 1 122 ? 20.371 30.208 10.508 1.0 21.13 ? 123 PHE B CE2 1 122 . B ATOM 924 C CZ . PHE B 1 122 ? 20.820 31.534 10.521 1.0 23.48 ? 123 PHE B CZ 1 122 . B ATOM 925 N N . SER B 1 123 ? 24.742 26.496 6.635 1.0 17.32 ? 124 SER B N 1 123 . B ATOM 926 C CA . SER B 1 123 ? 25.022 25.411 5.705 1.0 16.49 ? 124 SER B CA 1 123 . B ATOM 927 C C . SER B 1 123 ? 25.246 24.137 6.507 1.0 16.54 ? 124 SER B C 1 123 . B ATOM 928 O O . SER B 1 123 ? 26.346 23.572 6.526 1.0 14.99 ? 124 SER B O 1 123 . B ATOM 929 C CB . SER B 1 123 ? 26.255 25.711 4.851 1.0 18.04 ? 124 SER B CB 1 123 . B ATOM 930 O OG . SER B 1 123 ? 26.313 24.796 3.761 1.0 18.39 ? 124 SER B OG 1 123 . B ATOM 931 N N . VAL B 1 124 ? 24.195 23.707 7.196 1.0 15.31 ? 125 VAL B N 1 124 . B ATOM 932 C CA . VAL B 1 124 ? 24.252 22.502 7.999 1.0 16.01 ? 125 VAL B CA 1 124 . B ATOM 933 C C . VAL B 1 124 ? 22.933 21.759 7.942 1.0 18.14 ? 125 VAL B C 1 124 . B ATOM 934 O O . VAL B 1 124 ? 21.888 22.326 7.589 1.0 17.64 ? 125 VAL B O 1 124 . B ATOM 935 C CB . VAL B 1 124 ? 24.579 22.794 9.494 1.0 15.41 ? 125 VAL B CB 1 124 . B ATOM 936 C CG1 . VAL B 1 124 ? 26.010 23.278 9.635 1.0 14.77 ? 125 VAL B CG1 1 124 . B ATOM 937 C CG2 . VAL B 1 124 ? 23.608 23.831 10.061 1.0 17.91 ? 125 VAL B CG2 1 124 . B ATOM 938 N N . GLY B 1 125 ? 23.006 20.481 8.289 1.0 16.7 ? 126 GLY B N 1 125 . B ATOM 939 C CA . GLY B 1 125 ? 21.832 19.635 8.312 1.0 17.92 ? 126 GLY B CA 1 125 . B ATOM 940 C C . GLY B 1 125 ? 21.996 18.645 9.447 1.0 17.81 ? 126 GLY B C 1 125 . B ATOM 941 O O . GLY B 1 125 ? 23.096 18.474 9.981 1.0 17.56 ? 126 GLY B O 1 125 . B ATOM 942 N N . LEU B 1 126 ? 20.894 18.005 9.820 1.0 16.94 ? 127 LEU B N 1 126 . B ATOM 943 C CA . LEU B 1 126 ? 20.873 17.015 10.883 1.0 18.6 ? 127 LEU B CA 1 126 . B ATOM 944 C C . LEU B 1 126 ? 20.145 15.812 10.298 1.0 17.48 ? 127 LEU B C 1 126 . B ATOM 945 O O . LEU B 1 126 ? 19.085 15.959 9.681 1.0 16.42 ? 127 LEU B O 1 126 . B ATOM 946 C CB . LEU B 1 126 ? 20.114 17.572 12.099 1.0 19.99 ? 127 LEU B CB 1 126 . B ATOM 947 C CG . LEU B 1 126 ? 19.893 16.746 13.373 1.0 23.54 ? 127 LEU B CG 1 126 . B ATOM 948 C CD1 . LEU B 1 126 ? 18.950 15.595 13.092 1.0 26.26 ? 127 LEU B CD1 1 126 . B ATOM 949 C CD2 . LEU B 1 126 ? 21.215 16.248 13.899 1.0 27.19 ? 127 LEU B CD2 1 126 . B ATOM 950 N N . VAL B 1 127 ? 20.731 14.634 10.471 1.0 17.71 ? 128 VAL B N 1 127 . B ATOM 951 C CA . VAL B 1 127 ? 20.147 13.400 9.958 1.0 19.1 ? 128 VAL B CA 1 127 . B ATOM 952 C C . VAL B 1 127 ? 20.132 12.350 11.062 1.0 19.02 ? 128 VAL B C 1 127 . B ATOM 953 O O . VAL B 1 127 ? 21.163 12.061 11.674 1.0 21.12 ? 128 VAL B O 1 127 . B ATOM 954 C CB . VAL B 1 127 ? 20.955 12.846 8.772 1.0 19.04 ? 128 VAL B CB 1 127 . B ATOM 955 C CG1 . VAL B 1 127 ? 20.298 11.568 8.256 1.0 19.24 ? 128 VAL B CG1 1 127 . B ATOM 956 C CG2 . VAL B 1 127 ? 21.049 13.902 7.652 1.0 19.12 ? 128 VAL B CG2 1 127 . B ATOM 957 N N . GLN B 1 128 ? 18.957 11.795 11.330 1.0 20.73 ? 129 GLN B N 1 128 . B ATOM 958 C CA . GLN B 1 128 ? 18.832 10.770 12.354 1.0 22.49 ? 129 GLN B CA 1 128 . B ATOM 959 C C . GLN B 1 128 ? 19.072 9.425 11.671 1.0 21.86 ? 129 GLN B C 1 128 . B ATOM 960 O O . GLN B 1 128 ? 18.567 9.181 10.580 1.0 19.97 ? 129 GLN B O 1 128 . B ATOM 961 C CB . GLN B 1 128 ? 17.432 10.802 12.987 1.0 24.64 ? 129 GLN B CB 1 128 . B ATOM 962 C CG . GLN B 1 128 ? 17.337 10.093 14.340 1.0 28.89 ? 129 GLN B CG 1 128 . B ATOM 963 C CD . GLN B 1 128 ? 16.529 8.808 14.292 1.0 30.33 ? 129 GLN B CD 1 128 . B ATOM 964 O OE1 . GLN B 1 128 ? 15.411 8.782 13.780 1.0 28.46 ? 129 GLN B OE1 1 128 . B ATOM 965 N NE2 . GLN B 1 128 ? 17.090 7.733 14.842 1.0 36.35 ? 129 GLN B NE2 1 128 . B ATOM 966 N N . ASP B 1 129 ? 19.870 8.584 12.318 1.0 23.0 ? 130 ASP B N 1 129 . B ATOM 967 C CA . ASP B 1 129 ? 20.211 7.244 11.829 1.0 23.79 ? 130 ASP B CA 1 129 . B ATOM 968 C C . ASP B 1 129 ? 18.978 6.399 12.157 1.0 23.05 ? 130 ASP B C 1 129 . B ATOM 969 O O . ASP B 1 129 ? 19.010 5.539 13.038 1.0 23.06 ? 130 ASP B O 1 129 . B ATOM 970 C CB . ASP B 1 129 ? 21.426 6.744 12.607 1.0 22.78 ? 130 ASP B CB 1 129 . B ATOM 971 C CG . ASP B 1 129 ? 22.036 5.497 12.012 1.0 25.45 ? 130 ASP B CG 1 129 . B ATOM 972 O OD1 . ASP B 1 129 ? 22.311 4.552 12.788 1.0 23.33 ? 130 ASP B OD1 1 129 . B ATOM 973 O OD2 . ASP B 1 129 ? 22.253 5.471 10.782 1.0 22.83 ? 130 ASP B OD2 1 129 . B ATOM 974 N N . HIS B 1 130 ? 17.903 6.650 11.421 1.0 22.5 ? 131 HIS B N 1 130 . B ATOM 975 C CA . HIS B 1 130 ? 16.611 6.017 11.665 1.0 23.08 ? 131 HIS B CA 1 130 . B ATOM 976 C C . HIS B 1 130 ? 16.348 4.594 11.200 1.0 23.83 ? 131 HIS B C 1 130 . B ATOM 977 O O . HIS B 1 130 ? 15.271 4.050 11.465 1.0 23.75 ? 131 HIS B O 1 130 . B ATOM 978 C CB . HIS B 1 130 ? 15.517 6.923 11.101 1.0 21.97 ? 131 HIS B CB 1 130 . B ATOM 979 C CG . HIS B 1 130 ? 15.557 7.068 9.609 1.0 23.57 ? 131 HIS B CG 1 130 . B ATOM 980 N ND1 . HIS B 1 130 ? 14.902 6.204 8.759 1.0 23.91 ? 131 HIS B ND1 1 130 . B ATOM 981 C CD2 . HIS B 1 130 ? 16.172 7.980 8.817 1.0 23.44 ? 131 HIS B CD2 1 130 . B ATOM 982 C CE1 . HIS B 1 130 ? 15.108 6.578 7.508 1.0 24.43 ? 131 HIS B CE1 1 130 . B ATOM 983 N NE2 . HIS B 1 130 ? 15.875 7.654 7.516 1.0 23.47 ? 131 HIS B NE2 1 130 . B ATOM 984 N N . SER B 1 131 ? 17.307 3.978 10.526 1.0 22.92 ? 132 SER B N 1 131 . B ATOM 985 C CA . SER B 1 131 ? 17.077 2.635 10.023 1.0 23.31 ? 132 SER B CA 1 131 . B ATOM 986 C C . SER B 1 131 ? 18.363 1.859 9.830 1.0 23.6 ? 132 SER B C 1 131 . B ATOM 987 O O . SER B 1 131 ? 19.417 2.446 9.603 1.0 23.93 ? 132 SER B O 1 131 . B ATOM 988 C CB . SER B 1 131 ? 16.324 2.725 8.690 1.0 25.19 ? 132 SER B CB 1 131 . B ATOM 989 O OG . SER B 1 131 ? 16.297 1.477 8.018 1.0 25.53 ? 132 SER B OG 1 131 . B ATOM 990 N N . SER B 1 132 ? 18.270 0.537 9.934 1.0 24.27 ? 133 SER B N 1 132 . B ATOM 991 C CA . SER B 1 132 ? 19.429 -0.319 9.735 1.0 24.78 ? 133 SER B CA 1 132 . B ATOM 992 C C . SER B 1 132 ? 19.729 -0.313 8.237 1.0 25.91 ? 133 SER B C 1 132 . B ATOM 993 O O . SER B 1 132 ? 20.826 -0.663 7.814 1.0 26.61 ? 133 SER B O 1 132 . B ATOM 994 C CB . SER B 1 132 ? 19.132 -1.750 10.203 1.0 26.41 ? 133 SER B CB 1 132 . B ATOM 995 O OG . SER B 1 132 ? 18.031 -2.299 9.494 1.0 26.24 ? 133 SER B OG 1 132 . B ATOM 996 N N . ASN B 1 133 ? 18.739 0.076 7.437 1.0 24.7 ? 134 ASN B N 1 133 . B ATOM 997 C CA . ASN B 1 133 ? 18.917 0.147 5.992 1.0 24.02 ? 134 ASN B CA 1 133 . B ATOM 998 C C . ASN B 1 133 ? 19.633 1.465 5.685 1.0 23.57 ? 134 ASN B C 1 133 . B ATOM 999 O O . ASN B 1 133 ? 19.025 2.536 5.732 1.0 22.55 ? 134 ASN B O 1 133 . B ATOM 1000 C CB . ASN B 1 133 ? 17.562 0.117 5.285 1.0 23.96 ? 134 ASN B CB 1 133 . B ATOM 1001 C CG . ASN B 1 133 ? 17.695 0.123 3.773 1.0 25.3 ? 134 ASN B CG 1 133 . B ATOM 1002 O OD1 . ASN B 1 133 ? 18.581 0.775 3.219 1.0 25.58 ? 134 ASN B OD1 1 133 . B ATOM 1003 N ND2 . ASN B 1 133 ? 16.803 -0.589 3.098 1.0 21.87 ? 134 ASN B ND2 1 133 . B ATOM 1004 N N . VAL B 1 134 ? 20.921 1.378 5.369 1.0 22.23 ? 135 VAL B N 1 134 . B ATOM 1005 C CA . VAL B 1 134 ? 21.721 2.564 5.090 1.0 22.12 ? 135 VAL B CA 1 134 . B ATOM 1006 C C . VAL B 1 134 ? 21.237 3.373 3.893 1.0 22.37 ? 135 VAL B C 1 134 . B ATOM 1007 O O . VAL B 1 134 ? 21.437 4.589 3.846 1.0 23.42 ? 135 VAL B O 1 134 . B ATOM 1008 C CB . VAL B 1 134 ? 23.214 2.190 4.914 1.0 22.72 ? 135 VAL B CB 1 134 . B ATOM 1009 C CG1 . VAL B 1 134 ? 24.038 3.428 4.569 1.0 21.83 ? 135 VAL B CG1 1 134 . B ATOM 1010 C CG2 . VAL B 1 134 ? 23.732 1.558 6.195 1.0 22.14 ? 135 VAL B CG2 1 134 . B ATOM 1011 N N . PHE B 1 135 ? 20.591 2.722 2.929 1.0 21.18 ? 136 PHE B N 1 135 . B ATOM 1012 C CA . PHE B 1 135 ? 20.080 3.460 1.774 1.0 21.62 ? 136 PHE B CA 1 135 . B ATOM 1013 C C . PHE B 1 135 ? 18.961 4.389 2.230 1.0 21.5 ? 136 PHE B C 1 135 . B ATOM 1014 O O . PHE B 1 135 ? 18.819 5.498 1.716 1.0 21.76 ? 136 PHE B O 1 135 . B ATOM 1015 C CB . PHE B 1 135 ? 19.524 2.518 0.701 1.0 20.76 ? 136 PHE B CB 1 135 . B ATOM 1016 C CG . PHE B 1 135 ? 18.753 3.232 -0.383 1.0 23.16 ? 136 PHE B CG 1 135 . B ATOM 1017 C CD1 . PHE B 1 135 ? 19.399 4.090 -1.270 1.0 22.17 ? 136 PHE B CD1 1 135 . B ATOM 1018 C CD2 . PHE B 1 135 ? 17.372 3.073 -0.496 1.0 22.73 ? 136 PHE B CD2 1 135 . B ATOM 1019 C CE1 . PHE B 1 135 ? 18.682 4.780 -2.250 1.0 23.19 ? 136 PHE B CE1 1 135 . B ATOM 1020 C CE2 . PHE B 1 135 ? 16.648 3.760 -1.473 1.0 23.51 ? 136 PHE B CE2 1 135 . B ATOM 1021 C CZ . PHE B 1 135 ? 17.303 4.613 -2.349 1.0 22.86 ? 136 PHE B CZ 1 135 . B ATOM 1022 N N . MET B 1 136 ? 18.157 3.926 3.181 1.0 21.6 ? 137 MET B N 1 136 . B ATOM 1023 C CA . MET B 1 136 ? 17.059 4.740 3.686 1.0 23.51 ? 137 MET B CA 1 136 . B ATOM 1024 C C . MET B 1 136 ? 17.595 5.961 4.421 1.0 21.97 ? 137 MET B C 1 136 . B ATOM 1025 O O . MET B 1 136 ? 17.083 7.066 4.251 1.0 21.33 ? 137 MET B O 1 136 . B ATOM 1026 C CB . MET B 1 136 ? 16.149 3.915 4.600 1.0 26.75 ? 137 MET B CB 1 136 . B ATOM 1027 C CG . MET B 1 136 ? 15.487 2.751 3.872 1.0 31.53 ? 137 MET B CG 1 136 . B ATOM 1028 S SD . MET B 1 136 ? 13.887 2.293 4.542 1.0 40.46 ? 137 MET B SD 1 136 . B ATOM 1029 C CE . MET B 1 136 ? 12.881 3.311 3.541 1.0 40.56 ? 137 MET B CE 1 136 . B ATOM 1030 N N . VAL B 1 137 ? 18.628 5.771 5.233 1.0 22.41 ? 138 VAL B N 1 137 . B ATOM 1031 C CA . VAL B 1 137 ? 19.204 6.905 5.947 1.0 21.75 ? 138 VAL B CA 1 137 . B ATOM 1032 C C . VAL B 1 137 ? 19.837 7.853 4.920 1.0 21.15 ? 138 VAL B C 1 137 . B ATOM 1033 O O . VAL B 1 137 ? 19.801 9.066 5.090 1.0 20.27 ? 138 VAL B O 1 137 . B ATOM 1034 C CB . VAL B 1 137 ? 20.271 6.457 6.981 1.0 21.42 ? 138 VAL B CB 1 137 . B ATOM 1035 C CG1 . VAL B 1 137 ? 20.809 7.675 7.743 1.0 19.21 ? 138 VAL B CG1 1 137 . B ATOM 1036 C CG2 . VAL B 1 137 ? 19.655 5.456 7.960 1.0 22.03 ? 138 VAL B CG2 1 137 . B ATOM 1037 N N . ALA B 1 138 ? 20.392 7.297 3.847 1.0 19.58 ? 139 ALA B N 1 138 . B ATOM 1038 C CA . ALA B 1 138 ? 21.017 8.108 2.801 1.0 20.33 ? 139 ALA B CA 1 138 . B ATOM 1039 C C . ALA B 1 138 ? 19.972 8.969 2.103 1.0 19.4 ? 139 ALA B C 1 138 . B ATOM 1040 O O . ALA B 1 138 ? 20.235 10.116 1.739 1.0 20.07 ? 139 ALA B O 1 138 . B ATOM 1041 C CB . ALA B 1 138 ? 21.718 7.211 1.780 1.0 19.22 ? 139 ALA B CB 1 138 . B ATOM 1042 N N . VAL B 1 139 ? 18.784 8.412 1.901 1.0 19.64 ? 140 VAL B N 1 139 . B ATOM 1043 C CA . VAL B 1 139 ? 17.717 9.169 1.262 1.0 19.99 ? 140 VAL B CA 1 139 . B ATOM 1044 C C . VAL B 1 139 ? 17.383 10.397 2.121 1.0 19.07 ? 140 VAL B C 1 139 . B ATOM 1045 O O . VAL B 1 139 ? 17.119 11.488 1.603 1.0 19.84 ? 140 VAL B O 1 139 . B ATOM 1046 C CB . VAL B 1 139 ? 16.459 8.292 1.075 1.0 21.34 ? 140 VAL B CB 1 139 . B ATOM 1047 C CG1 . VAL B 1 139 ? 15.269 9.150 0.676 1.0 22.13 ? 140 VAL B CG1 1 139 . B ATOM 1048 C CG2 . VAL B 1 139 ? 16.723 7.247 -0.007 1.0 23.04 ? 140 VAL B CG2 1 139 . B ATOM 1049 N N . THR B 1 140 ? 17.413 10.216 3.435 1.0 18.04 ? 141 THR B N 1 140 . B ATOM 1050 C CA . THR B 1 140 ? 17.132 11.309 4.353 1.0 18.09 ? 141 THR B CA 1 140 . B ATOM 1051 C C . THR B 1 140 ? 18.234 12.371 4.266 1.0 19.01 ? 141 THR B C 1 140 . B ATOM 1052 O O . THR B 1 140 ? 17.953 13.568 4.257 1.0 18.78 ? 141 THR B O 1 140 . B ATOM 1053 C CB . THR B 1 140 ? 17.015 10.785 5.795 1.0 19.48 ? 141 THR B CB 1 140 . B ATOM 1054 O OG1 . THR B 1 140 ? 15.977 9.791 5.852 1.0 19.08 ? 141 THR B OG1 1 140 . B ATOM 1055 C CG2 . THR B 1 140 ? 16.682 11.924 6.746 1.0 17.2 ? 141 THR B CG2 1 140 . B ATOM 1056 N N . MET B 1 141 ? 19.490 11.942 4.204 1.0 19.07 ? 142 MET B N 1 141 . B ATOM 1057 C CA . MET B 1 141 ? 20.582 12.909 4.096 1.0 18.17 ? 142 MET B CA 1 141 . B ATOM 1058 C C . MET B 1 141 ? 20.448 13.649 2.771 1.0 19.26 ? 142 MET B C 1 141 . B ATOM 1059 O O . MET B 1 141 ? 20.646 14.862 2.701 1.0 18.05 ? 142 MET B O 1 141 . B ATOM 1060 C CB . MET B 1 141 ? 21.942 12.209 4.156 1.0 18.68 ? 142 MET B CB 1 141 . B ATOM 1061 C CG . MET B 1 141 ? 23.123 13.161 4.066 1.0 18.78 ? 142 MET B CG 1 141 . B ATOM 1062 S SD . MET B 1 141 ? 24.683 12.354 4.452 1.0 20.19 ? 142 MET B SD 1 141 . B ATOM 1063 C CE . MET B 1 141 ? 24.598 12.274 6.243 1.0 19.73 ? 142 MET B CE 1 141 . B ATOM 1064 N N . THR B 1 142 ? 20.109 12.916 1.716 1.0 18.24 ? 143 THR B N 1 142 . B ATOM 1065 C CA . THR B 1 142 ? 19.937 13.526 0.401 1.0 17.75 ? 143 THR B CA 1 142 . B ATOM 1066 C C . THR B 1 142 ? 18.799 14.549 0.458 1.0 17.79 ? 143 THR B C 1 142 . B ATOM 1067 O O . THR B 1 142 ? 18.890 15.630 -0.121 1.0 17.84 ? 143 THR B O 1 142 . B ATOM 1068 C CB . THR B 1 142 ? 19.622 12.450 -0.659 1.0 16.84 ? 143 THR B CB 1 142 . B ATOM 1069 O OG1 . THR B 1 142 ? 20.699 11.502 -0.693 1.0 17.09 ? 143 THR B OG1 1 142 . B ATOM 1070 C CG2 . THR B 1 142 ? 19.459 13.080 -2.036 1.0 18.95 ? 143 THR B CG2 1 142 . B ATOM 1071 N N . HIS B 1 143 ? 17.735 14.192 1.173 1.0 17.76 ? 144 HIS B N 1 143 . B ATOM 1072 C CA . HIS B 1 143 ? 16.565 15.051 1.359 1.0 17.54 ? 144 HIS B CA 1 143 . B ATOM 1073 C C . HIS B 1 143 ? 16.967 16.344 2.077 1.0 18.59 ? 144 HIS B C 1 143 . B ATOM 1074 O O . HIS B 1 143 ? 16.638 17.447 1.620 1.0 18.24 ? 144 HIS B O 1 143 . B ATOM 1075 C CB . HIS B 1 143 ? 15.519 14.303 2.197 1.0 18.43 ? 144 HIS B CB 1 143 . B ATOM 1076 C CG . HIS B 1 143 ? 14.253 15.069 2.442 1.0 19.74 ? 144 HIS B CG 1 143 . B ATOM 1077 N ND1 . HIS B 1 143 ? 13.090 14.830 1.738 1.0 20.81 ? 144 HIS B ND1 1 143 . B ATOM 1078 C CD2 . HIS B 1 143 ? 13.949 16.029 3.351 1.0 21.05 ? 144 HIS B CD2 1 143 . B ATOM 1079 C CE1 . HIS B 1 143 ? 12.126 15.605 2.204 1.0 20.64 ? 144 HIS B CE1 1 143 . B ATOM 1080 N NE2 . HIS B 1 143 ? 12.621 16.340 3.184 1.0 20.79 ? 144 HIS B NE2 1 143 . B ATOM 1081 N N . GLU B 1 144 ? 17.682 16.218 3.195 1.0 16.71 ? 145 GLU B N 1 144 . B ATOM 1082 C CA . GLU B 1 144 ? 18.078 17.408 3.945 1.0 16.72 ? 145 GLU B CA 1 144 . B ATOM 1083 C C . GLU B 1 144 ? 19.024 18.277 3.122 1.0 17.96 ? 145 GLU B C 1 144 . B ATOM 1084 O O . GLU B 1 144 ? 18.929 19.508 3.154 1.0 16.12 ? 145 GLU B O 1 144 . B ATOM 1085 C CB . GLU B 1 144 ? 18.700 17.028 5.295 1.0 18.79 ? 145 GLU B CB 1 144 . B ATOM 1086 C CG . GLU B 1 144 ? 17.770 16.192 6.185 1.0 21.05 ? 145 GLU B CG 1 144 . B ATOM 1087 C CD . GLU B 1 144 ? 16.391 16.825 6.405 1.0 24.56 ? 145 GLU B CD 1 144 . B ATOM 1088 O OE1 . GLU B 1 144 ? 15.454 16.083 6.773 1.0 23.45 ? 145 GLU B OE1 1 144 . B ATOM 1089 O OE2 . GLU B 1 144 ? 16.243 18.056 6.222 1.0 23.8 ? 145 GLU B OE2 1 144 . B ATOM 1090 N N . LEU B 1 145 ? 19.928 17.643 2.376 1.0 16.93 ? 146 LEU B N 1 145 . B ATOM 1091 C CA . LEU B 1 145 ? 20.834 18.397 1.515 1.0 18.04 ? 146 LEU B CA 1 145 . B ATOM 1092 C C . LEU B 1 145 ? 19.986 19.117 0.477 1.0 18.44 ? 146 LEU B C 1 145 . B ATOM 1093 O O . LEU B 1 145 ? 20.316 20.219 0.054 1.0 18.05 ? 146 LEU B O 1 145 . B ATOM 1094 C CB . LEU B 1 145 ? 21.825 17.469 0.812 1.0 18.41 ? 146 LEU B CB 1 145 . B ATOM 1095 C CG . LEU B 1 145 ? 23.111 17.139 1.570 1.0 21.59 ? 146 LEU B CG 1 145 . B ATOM 1096 C CD1 . LEU B 1 145 ? 23.882 16.062 0.809 1.0 21.54 ? 146 LEU B CD1 1 145 . B ATOM 1097 C CD2 . LEU B 1 145 ? 23.965 18.405 1.724 1.0 23.12 ? 146 LEU B CD2 1 145 . B ATOM 1098 N N . GLY B 1 146 ? 18.889 18.480 0.071 1.0 17.1 ? 147 GLY B N 1 146 . B ATOM 1099 C CA . GLY B 1 146 ? 17.994 19.078 -0.903 1.0 18.7 ? 147 GLY B CA 1 146 . B ATOM 1100 C C . GLY B 1 146 ? 17.442 20.405 -0.410 1.0 19.01 ? 147 GLY B C 1 146 . B ATOM 1101 O O . GLY B 1 146 ? 17.325 21.360 -1.186 1.0 18.79 ? 147 GLY B O 1 146 . B ATOM 1102 N N . HIS B 1 147 ? 17.089 20.473 0.874 1.0 18.96 ? 148 HIS B N 1 147 . B ATOM 1103 C CA . HIS B 1 147 ? 16.582 21.717 1.449 1.0 18.96 ? 148 HIS B CA 1 147 . B ATOM 1104 C C . HIS B 1 147 ? 17.717 22.743 1.455 1.0 18.68 ? 148 HIS B C 1 147 . B ATOM 1105 O O . HIS B 1 147 ? 17.500 23.920 1.170 1.0 19.01 ? 148 HIS B O 1 147 . B ATOM 1106 C CB . HIS B 1 147 ? 16.095 21.512 2.892 1.0 19.48 ? 148 HIS B CB 1 147 . B ATOM 1107 C CG . HIS B 1 147 ? 14.759 20.846 3.004 1.0 19.18 ? 148 HIS B CG 1 147 . B ATOM 1108 N ND1 . HIS B 1 147 ? 13.633 21.323 2.367 1.0 21.91 ? 148 HIS B ND1 1 147 . B ATOM 1109 C CD2 . HIS B 1 147 ? 14.357 19.767 3.719 1.0 19.22 ? 148 HIS B CD2 1 147 . B ATOM 1110 C CE1 . HIS B 1 147 ? 12.596 20.568 2.687 1.0 22.5 ? 148 HIS B CE1 1 147 . B ATOM 1111 N NE2 . HIS B 1 147 ? 13.008 19.617 3.507 1.0 18.7 ? 148 HIS B NE2 1 147 . B ATOM 1112 N N . ASN B 1 148 ? 18.921 22.295 1.805 1.0 17.72 ? 149 ASN B N 1 148 . B ATOM 1113 C CA . ASN B 1 148 ? 20.084 23.183 1.831 1.0 17.42 ? 149 ASN B CA 1 148 . B ATOM 1114 C C . ASN B 1 148 ? 20.231 23.782 0.432 1.0 18.41 ? 149 ASN B C 1 148 . B ATOM 1115 O O . ASN B 1 148 ? 20.660 24.928 0.274 1.0 18.5 ? 149 ASN B O 1 148 . B ATOM 1116 C CB . ASN B 1 148 ? 21.367 22.406 2.155 1.0 17.31 ? 149 ASN B CB 1 148 . B ATOM 1117 C CG . ASN B 1 148 ? 21.482 21.993 3.624 1.0 18.99 ? 149 ASN B CG 1 148 . B ATOM 1118 O OD1 . ASN B 1 148 ? 22.079 20.961 3.921 1.0 21.45 ? 149 ASN B OD1 1 148 . B ATOM 1119 N ND2 . ASN B 1 148 ? 20.952 22.804 4.541 1.0 19.01 ? 149 ASN B ND2 1 148 . B ATOM 1120 N N . LEU B 1 149 ? 19.864 22.988 -0.572 1.0 18.21 ? 150 LEU B N 1 149 . B ATOM 1121 C CA . LEU B 1 149 ? 19.959 23.390 -1.974 1.0 20.16 ? 150 LEU B CA 1 149 . B ATOM 1122 C C . LEU B 1 149 ? 18.702 24.038 -2.568 1.0 20.81 ? 150 LEU B C 1 149 . B ATOM 1123 O O . LEU B 1 149 ? 18.513 24.039 -3.789 1.0 23.34 ? 150 LEU B O 1 149 . B ATOM 1124 C CB . LEU B 1 149 ? 20.382 22.181 -2.826 1.0 18.37 ? 150 LEU B CB 1 149 . B ATOM 1125 C CG . LEU B 1 149 ? 21.805 21.681 -2.547 1.0 18.57 ? 150 LEU B CG 1 149 . B ATOM 1126 C CD1 . LEU B 1 149 ? 22.013 20.287 -3.129 1.0 18.84 ? 150 LEU B CD1 1 149 . B ATOM 1127 C CD2 . LEU B 1 149 ? 22.808 22.659 -3.141 1.0 18.57 ? 150 LEU B CD2 1 149 . B ATOM 1128 N N . GLY B 1 150 ? 17.843 24.582 -1.711 1.0 21.04 ? 151 GLY B N 1 150 . B ATOM 1129 C CA . GLY B 1 150 ? 16.650 25.267 -2.191 1.0 22.55 ? 151 GLY B CA 1 150 . B ATOM 1130 C C . GLY B 1 150 ? 15.415 24.462 -2.547 1.0 23.22 ? 151 GLY B C 1 150 . B ATOM 1131 O O . GLY B 1 150 ? 14.406 25.032 -2.964 1.0 22.17 ? 151 GLY B O 1 150 . B ATOM 1132 N N . MET B 1 151 ? 15.471 23.146 -2.379 1.0 21.84 ? 152 MET B N 1 151 . B ATOM 1133 C CA . MET B 1 151 ? 14.327 22.311 -2.709 1.0 23.78 ? 152 MET B CA 1 151 . B ATOM 1134 C C . MET B 1 151 ? 13.248 22.267 -1.635 1.0 24.43 ? 152 MET B C 1 151 . B ATOM 1135 O O . MET B 1 151 ? 13.537 22.204 -0.440 1.0 23.24 ? 152 MET B O 1 151 . B ATOM 1136 C CB . MET B 1 151 ? 14.793 20.892 -3.020 1.0 24.87 ? 152 MET B CB 1 151 . B ATOM 1137 C CG . MET B 1 151 ? 15.614 20.803 -4.281 1.0 27.58 ? 152 MET B CG 1 151 . B ATOM 1138 S SD . MET B 1 151 ? 16.165 19.131 -4.554 1.0 31.45 ? 152 MET B SD 1 151 . B ATOM 1139 C CE . MET B 1 151 ? 17.747 19.423 -5.282 1.0 29.68 ? 152 MET B CE 1 151 . B ATOM 1140 N N . ALA B 1 152 ? 11.997 22.304 -2.085 1.0 25.48 ? 153 ALA B N 1 152 . B ATOM 1141 C CA . ALA B 1 152 ? 10.843 22.258 -1.196 1.0 27.02 ? 153 ALA B CA 1 152 . B ATOM 1142 C C . ALA B 1 152 ? 10.227 20.864 -1.264 1.0 27.66 ? 153 ALA B C 1 152 . B ATOM 1143 O O . ALA B 1 152 ? 10.615 20.046 -2.092 1.0 28.34 ? 153 ALA B O 1 152 . B ATOM 1144 C CB . ALA B 1 152 ? 9.814 23.312 -1.613 1.0 27.14 ? 153 ALA B CB 1 152 . B ATOM 1145 N N . HIS B 1 153 ? 9.270 20.597 -0.385 1.0 28.34 ? 154 HIS B N 1 153 . B ATOM 1146 C CA . HIS B 1 153 ? 8.607 19.303 -0.342 1.0 29.54 ? 154 HIS B CA 1 153 . B ATOM 1147 C C . HIS B 1 153 ? 7.692 19.069 -1.533 1.0 31.98 ? 154 HIS B C 1 153 . B ATOM 1148 O O . HIS B 1 153 ? 7.091 20.003 -2.054 1.0 34.05 ? 154 HIS B O 1 153 . B ATOM 1149 C CB . HIS B 1 153 ? 7.798 19.188 0.950 1.0 28.01 ? 154 HIS B CB 1 153 . B ATOM 1150 C CG . HIS B 1 153 ? 8.634 18.911 2.157 1.0 27.9 ? 154 HIS B CG 1 153 . B ATOM 1151 N ND1 . HIS B 1 153 ? 8.181 19.117 3.442 1.0 27.65 ? 154 HIS B ND1 1 153 . B ATOM 1152 C CD2 . HIS B 1 153 ? 9.887 18.411 2.275 1.0 26.43 ? 154 HIS B CD2 1 153 . B ATOM 1153 C CE1 . HIS B 1 153 ? 9.119 18.755 4.300 1.0 26.35 ? 154 HIS B CE1 1 153 . B ATOM 1154 N NE2 . HIS B 1 153 ? 10.163 18.323 3.618 1.0 25.2 ? 154 HIS B NE2 1 153 . B ATOM 1155 N N . ASP B 1 154 ? 7.597 17.818 -1.971 1.0 33.91 ? 155 ASP B N 1 154 . B ATOM 1156 C CA . ASP B 1 154 ? 6.718 17.482 -3.082 1.0 36.08 ? 155 ASP B CA 1 154 . B ATOM 1157 C C . ASP B 1 154 ? 5.289 17.498 -2.541 1.0 39.03 ? 155 ASP B C 1 154 . B ATOM 1158 O O . ASP B 1 154 ? 4.804 16.497 -2.021 1.0 38.86 ? 155 ASP B O 1 154 . B ATOM 1159 C CB . ASP B 1 154 ? 7.062 16.097 -3.645 1.0 32.69 ? 155 ASP B CB 1 154 . B ATOM 1160 C CG . ASP B 1 154 ? 8.390 16.080 -4.380 1.0 30.92 ? 155 ASP B CG 1 154 . B ATOM 1161 O OD1 . ASP B 1 154 ? 8.675 17.049 -5.108 1.0 29.98 ? 155 ASP B OD1 1 154 . B ATOM 1162 O OD2 . ASP B 1 154 ? 9.147 15.095 -4.249 1.0 29.36 ? 155 ASP B OD2 1 154 . B ATOM 1163 N N . GLU B 1 155 ? 4.620 18.643 -2.654 1.0 42.6 ? 156 GLU B N 1 155 . B ATOM 1164 C CA . GLU B 1 155 ? 3.257 18.776 -2.152 1.0 45.92 ? 156 GLU B CA 1 155 . B ATOM 1165 C C . GLU B 1 155 ? 2.424 19.858 -2.845 1.0 48.47 ? 156 GLU B C 1 155 . B ATOM 1166 O O . GLU B 1 155 ? 2.799 20.363 -3.904 1.0 49.02 ? 156 GLU B O 1 155 . B ATOM 1167 C CB . GLU B 1 155 ? 3.295 19.042 -0.644 1.0 46.24 ? 156 GLU B CB 1 155 . B ATOM 1168 C CG . GLU B 1 155 ? 4.312 20.094 -0.229 1.0 48.1 ? 156 GLU B CG 1 155 . B ATOM 1169 C CD . GLU B 1 155 ? 4.345 20.319 1.271 1.0 48.86 ? 156 GLU B CD 1 155 . B ATOM 1170 O OE1 . GLU B 1 155 ? 4.410 19.324 2.023 1.0 49.39 ? 156 GLU B OE1 1 155 . B ATOM 1171 O OE2 . GLU B 1 155 ? 4.316 21.492 1.699 1.0 51.62 ? 156 GLU B OE2 1 155 . B ATOM 1172 N N . ALA B 1 156 ? 1.296 20.193 -2.215 1.0 50.89 ? 157 ALA B N 1 156 . B ATOM 1173 C CA . ALA B 1 156 ? 0.316 21.186 -2.679 1.0 52.75 ? 157 ALA B CA 1 156 . B ATOM 1174 C C . ALA B 1 156 ? 0.759 22.257 -3.678 1.0 53.7 ? 157 ALA B C 1 156 . B ATOM 1175 O O . ALA B 1 156 ? 1.164 23.358 -3.290 1.0 54.05 ? 157 ALA B O 1 156 . B ATOM 1176 C CB . ALA B 1 156 ? -0.324 21.864 -1.468 1.0 53.13 ? 157 ALA B CB 1 156 . B ATOM 1177 N N . GLY B 1 157 ? 0.640 21.945 -4.966 1.0 54.79 ? 158 GLY B N 1 157 . B ATOM 1178 C CA . GLY B 1 157 ? 1.020 22.897 -5.995 1.0 55.13 ? 158 GLY B CA 1 157 . B ATOM 1179 C C . GLY B 1 157 ? 1.367 22.233 -7.312 1.0 55.2 ? 158 GLY B C 1 157 . B ATOM 1180 O O . GLY B 1 157 ? 2.139 22.776 -8.104 1.0 56.28 ? 158 GLY B O 1 157 . B ATOM 1181 N N . GLY B 1 158 ? 0.792 21.060 -7.555 1.0 54.49 ? 159 GLY B N 1 158 . B ATOM 1182 C CA . GLY B 1 158 ? 1.076 20.343 -8.785 1.0 53.49 ? 159 GLY B CA 1 158 . B ATOM 1183 C C . GLY B 1 158 ? 2.193 19.338 -8.573 1.0 52.79 ? 159 GLY B C 1 158 . B ATOM 1184 O O . GLY B 1 158 ? 2.646 18.682 -9.513 1.0 53.12 ? 159 GLY B O 1 158 . B ATOM 1185 N N . CYS B 1 159 ? 2.642 19.223 -7.327 1.0 51.07 ? 160 CYS B N 1 159 . B ATOM 1186 C CA . CYS B 1 159 ? 3.704 18.292 -6.965 1.0 49.95 ? 160 CYS B CA 1 159 . B ATOM 1187 C C . CYS B 1 159 ? 3.098 17.277 -6.001 1.0 50.96 ? 160 CYS B C 1 159 . B ATOM 1188 O O . CYS B 1 159 ? 2.199 17.615 -5.228 1.0 52.49 ? 160 CYS B O 1 159 . B ATOM 1189 C CB . CYS B 1 159 ? 4.849 19.035 -6.271 1.0 46.95 ? 160 CYS B CB 1 159 . B ATOM 1190 S SG . CYS B 1 159 ? 5.308 20.625 -7.038 1.0 44.02 ? 160 CYS B SG 1 159 . B ATOM 1191 N N . ALA B 1 160 ? 3.584 16.041 -6.040 1.0 51.24 ? 161 ALA B N 1 160 . B ATOM 1192 C CA . ALA B 1 160 ? 3.061 15.006 -5.155 1.0 51.24 ? 161 ALA B CA 1 160 . B ATOM 1193 C C . ALA B 1 160 ? 4.067 13.889 -4.912 1.0 50.94 ? 161 ALA B C 1 160 . B ATOM 1194 O O . ALA B 1 160 ? 4.456 13.631 -3.768 1.0 51.51 ? 161 ALA B O 1 160 . B ATOM 1195 C CB . ALA B 1 160 ? 1.774 14.426 -5.737 1.0 51.73 ? 161 ALA B CB 1 160 . B ATOM 1196 N N . CYS B 1 161 ? 4.470 13.233 -5.999 1.0 49.91 ? 162 CYS B N 1 161 . B ATOM 1197 C CA . CYS B 1 161 ? 5.420 12.123 -5.972 1.0 47.74 ? 162 CYS B CA 1 161 . B ATOM 1198 C C . CYS B 1 161 ? 5.888 11.756 -4.564 1.0 47.87 ? 162 CYS B C 1 161 . B ATOM 1199 O O . CYS B 1 161 ? 6.858 12.321 -4.039 1.0 48.16 ? 162 CYS B O 1 161 . B ATOM 1200 C CB . CYS B 1 161 ? 6.621 12.443 -6.871 1.0 45.91 ? 162 CYS B CB 1 161 . B ATOM 1201 S SG . CYS B 1 161 ? 7.805 11.069 -7.002 1.0 44.24 ? 162 CYS B SG 1 161 . B ATOM 1202 N N . SER B 1 162 ? 5.182 10.801 -3.962 1.0 46.82 ? 163 SER B N 1 162 . B ATOM 1203 C CA . SER B 1 162 ? 5.475 10.338 -2.610 1.0 45.91 ? 163 SER B CA 1 162 . B ATOM 1204 C C . SER B 1 162 ? 6.682 9.410 -2.513 1.0 44.51 ? 163 SER B C 1 162 . B ATOM 1205 O O . SER B 1 162 ? 7.102 9.036 -1.414 1.0 44.59 ? 163 SER B O 1 162 . B ATOM 1206 C CB . SER B 1 162 ? 4.238 9.649 -2.022 1.0 48.4 ? 163 SER B CB 1 162 . B ATOM 1207 O OG . SER B 1 162 ? 3.606 8.820 -2.985 1.0 51.89 ? 163 SER B OG 1 162 . B ATOM 1208 N N . SER B 1 163 ? 7.243 9.032 -3.654 1.0 41.71 ? 164 SER B N 1 163 . B ATOM 1209 C CA . SER B 1 163 ? 8.412 8.161 -3.637 1.0 40.2 ? 164 SER B CA 1 163 . B ATOM 1210 C C . SER B 1 163 ? 9.657 8.959 -4.007 1.0 37.84 ? 164 SER B C 1 163 . B ATOM 1211 O O . SER B 1 163 ? 10.773 8.446 -3.944 1.0 38.6 ? 164 SER B O 1 163 . B ATOM 1212 C CB . SER B 1 163 ? 8.233 6.990 -4.609 1.0 39.33 ? 164 SER B CB 1 163 . B ATOM 1213 O OG . SER B 1 163 ? 8.228 7.433 -5.952 1.0 40.13 ? 164 SER B OG 1 163 . B ATOM 1214 N N . CYS B 1 164 ? 9.468 10.216 -4.393 1.0 35.58 ? 165 CYS B N 1 164 . B ATOM 1215 C CA . CYS B 1 164 ? 10.601 11.059 -4.760 1.0 34.39 ? 165 CYS B CA 1 164 . B ATOM 1216 C C . CYS B 1 164 ? 11.366 11.487 -3.518 1.0 31.57 ? 165 CYS B C 1 164 . B ATOM 1217 O O . CYS B 1 164 ? 10.826 11.495 -2.410 1.0 29.72 ? 165 CYS B O 1 164 . B ATOM 1218 C CB . CYS B 1 164 ? 10.140 12.297 -5.534 1.0 36.06 ? 165 CYS B CB 1 164 . B ATOM 1219 S SG . CYS B 1 164 ? 9.604 11.974 -7.249 1.0 40.23 ? 165 CYS B SG 1 164 . B ATOM 1220 N N . ILE B 1 165 ? 12.626 11.850 -3.714 1.0 28.04 ? 166 ILE B N 1 165 . B ATOM 1221 C CA . ILE B 1 165 ? 13.485 12.251 -2.613 1.0 25.69 ? 166 ILE B CA 1 165 . B ATOM 1222 C C . ILE B 1 165 ? 12.896 13.324 -1.696 1.0 25.58 ? 166 ILE B C 1 165 . B ATOM 1223 O O . ILE B 1 165 ? 12.926 13.176 -0.470 1.0 23.97 ? 166 ILE B O 1 165 . B ATOM 1224 C CB . ILE B 1 165 ? 14.856 12.723 -3.150 1.0 25.25 ? 166 ILE B CB 1 165 . B ATOM 1225 C CG1 . ILE B 1 165 ? 15.567 11.539 -3.811 1.0 24.42 ? 166 ILE B CG1 1 165 . B ATOM 1226 C CG2 . ILE B 1 165 ? 15.700 13.302 -2.009 1.0 22.47 ? 166 ILE B CG2 1 165 . B ATOM 1227 C CD1 . ILE B 1 165 ? 16.751 11.918 -4.664 1.0 24.31 ? 166 ILE B CD1 1 165 . B ATOM 1228 N N . MET B 1 166 ? 12.350 14.389 -2.273 1.0 25.41 ? 167 MET B N 1 166 . B ATOM 1229 C CA . MET B 1 166 ? 11.793 15.466 -1.456 1.0 26.84 ? 167 MET B CA 1 166 . B ATOM 1230 C C . MET B 1 166 ? 10.366 15.240 -0.957 1.0 28.34 ? 167 MET B C 1 166 . B ATOM 1231 O O . MET B 1 166 ? 9.661 16.192 -0.599 1.0 28.76 ? 167 MET B O 1 166 . B ATOM 1232 C CB . MET B 1 166 ? 11.880 16.798 -2.205 1.0 25.44 ? 167 MET B CB 1 166 . B ATOM 1233 C CG . MET B 1 166 ? 13.303 17.227 -2.523 1.0 24.08 ? 167 MET B CG 1 166 . B ATOM 1234 S SD . MET B 1 166 ? 14.382 17.069 -1.087 1.0 23.01 ? 167 MET B SD 1 166 . B ATOM 1235 C CE . MET B 1 166 ? 13.720 18.409 -0.015 1.0 21.57 ? 167 MET B CE 1 166 . B ATOM 1236 N N . SER B 1 167 ? 9.936 13.982 -0.933 1.0 30.31 ? 168 SER B N 1 167 . B ATOM 1237 C CA . SER B 1 167 ? 8.605 13.664 -0.432 1.0 31.32 ? 168 SER B CA 1 167 . B ATOM 1238 C C . SER B 1 167 ? 8.613 14.041 1.042 1.0 32.57 ? 168 SER B C 1 167 . B ATOM 1239 O O . SER B 1 167 ? 9.583 13.770 1.744 1.0 32.27 ? 168 SER B O 1 167 . B ATOM 1240 C CB . SER B 1 167 ? 8.320 12.168 -0.565 1.0 33.22 ? 168 SER B CB 1 167 . B ATOM 1241 O OG . SER B 1 167 ? 7.109 11.837 0.090 1.0 34.39 ? 168 SER B OG 1 167 . B ATOM 1242 N N . PRO B 1 168 ? 7.536 14.675 1.532 1.0 34.0 ? 169 PRO B N 1 168 . B ATOM 1243 C CA . PRO B 1 168 ? 7.482 15.068 2.944 1.0 36.02 ? 169 PRO B CA 1 168 . B ATOM 1244 C C . PRO B 1 168 ? 7.482 13.890 3.920 1.0 37.88 ? 169 PRO B C 1 168 . B ATOM 1245 O O . PRO B 1 168 ? 7.866 14.035 5.079 1.0 38.98 ? 169 PRO B O 1 168 . B ATOM 1246 C CB . PRO B 1 168 ? 6.203 15.905 3.017 1.0 35.53 ? 169 PRO B CB 1 168 . B ATOM 1247 C CG . PRO B 1 168 ? 5.342 15.289 1.967 1.0 36.14 ? 169 PRO B CG 1 168 . B ATOM 1248 C CD . PRO B 1 168 ? 6.314 15.093 0.825 1.0 34.6 ? 169 PRO B CD 1 168 . B ATOM 1249 N N . ALA B 1 169 ? 7.058 12.723 3.448 1.0 40.35 ? 170 ALA B N 1 169 . B ATOM 1250 C CA . ALA B 1 169 ? 7.020 11.535 4.295 1.0 43.24 ? 170 ALA B CA 1 169 . B ATOM 1251 C C . ALA B 1 169 ? 7.955 10.459 3.762 1.0 45.19 ? 170 ALA B C 1 169 . B ATOM 1252 O O . ALA B 1 169 ? 8.119 10.311 2.550 1.0 45.33 ? 170 ALA B O 1 169 . B ATOM 1253 C CB . ALA B 1 169 ? 5.587 10.990 4.381 1.0 42.94 ? 170 ALA B CB 1 169 . B ATOM 1254 N N . ALA B 1 170 ? 8.565 9.706 4.673 1.0 47.72 ? 171 ALA B N 1 170 . B ATOM 1255 C CA . ALA B 1 170 ? 9.483 8.638 4.288 1.0 50.04 ? 171 ALA B CA 1 170 . B ATOM 1256 C C . ALA B 1 170 ? 8.707 7.413 3.814 1.0 50.39 ? 171 ALA B C 1 170 . B ATOM 1257 O O . ALA B 1 170 ? 8.071 6.722 4.611 1.0 51.79 ? 171 ALA B O 1 170 . B ATOM 1258 C CB . ALA B 1 170 ? 10.379 8.268 5.470 1.0 49.98 ? 171 ALA B CB 1 170 . B ATOM 1259 N N . SER B 1 171 ? 8.762 7.146 2.513 1.0 50.38 ? 172 SER B N 1 171 . B ATOM 1260 C CA . SER B 1 171 ? 8.062 6.003 1.939 1.0 50.17 ? 172 SER B CA 1 171 . B ATOM 1261 C C . SER B 1 171 ? 8.804 4.698 2.205 1.0 49.49 ? 172 SER B C 1 171 . B ATOM 1262 O O . SER B 1 171 ? 10.007 4.698 2.468 1.0 49.75 ? 172 SER B O 1 171 . B ATOM 1263 C CB . SER B 1 171 ? 7.889 6.200 0.432 1.0 51.01 ? 172 SER B CB 1 171 . B ATOM 1264 O OG . SER B 1 171 ? 9.128 6.509 -0.182 1.0 51.55 ? 172 SER B OG 1 171 . B ATOM 1265 N N . SER B 1 172 ? 8.079 3.586 2.139 1.0 48.47 ? 173 SER B N 1 172 . B ATOM 1266 C CA . SER B 1 172 ? 8.676 2.274 2.368 1.0 47.42 ? 173 SER B CA 1 172 . B ATOM 1267 C C . SER B 1 172 ? 9.457 1.832 1.135 1.0 45.62 ? 173 SER B C 1 172 . B ATOM 1268 O O . SER B 1 172 ? 10.299 0.936 1.204 1.0 45.76 ? 173 SER B O 1 172 . B ATOM 1269 C CB . SER B 1 172 ? 7.585 1.252 2.706 1.0 48.73 ? 173 SER B CB 1 172 . B ATOM 1270 O OG . SER B 1 172 ? 6.503 1.339 1.794 1.0 50.7 ? 173 SER B OG 1 172 . B ATOM 1271 N N . GLY B 1 173 ? 9.166 2.471 0.005 1.0 43.6 ? 174 GLY B N 1 173 . B ATOM 1272 C CA . GLY B 1 173 ? 9.853 2.156 -1.236 1.0 41.2 ? 174 GLY B CA 1 173 . B ATOM 1273 C C . GLY B 1 173 ? 10.381 3.431 -1.869 1.0 38.82 ? 174 GLY B C 1 173 . B ATOM 1274 O O . GLY B 1 173 ? 9.996 3.783 -2.985 1.0 38.65 ? 174 GLY B O 1 173 . B ATOM 1275 N N . PRO B 1 174 ? 11.274 4.155 -1.177 1.0 37.56 ? 175 PRO B N 1 174 . B ATOM 1276 C CA . PRO B 1 174 ? 11.822 5.399 -1.726 1.0 36.66 ? 175 PRO B CA 1 174 . B ATOM 1277 C C . PRO B 1 174 ? 12.637 5.177 -2.995 1.0 36.44 ? 175 PRO B C 1 174 . B ATOM 1278 O O . PRO B 1 174 ? 13.439 4.245 -3.071 1.0 37.03 ? 175 PRO B O 1 174 . B ATOM 1279 C CB . PRO B 1 174 ? 12.678 5.928 -0.578 1.0 36.01 ? 175 PRO B CB 1 174 . B ATOM 1280 C CG . PRO B 1 174 ? 13.191 4.664 0.044 1.0 37.38 ? 175 PRO B CG 1 174 . B ATOM 1281 C CD . PRO B 1 174 ? 11.937 3.807 0.093 1.0 37.52 ? 175 PRO B CD 1 174 . B ATOM 1282 N N . SER B 1 175 ? 12.424 6.023 -3.998 1.0 36.37 ? 176 SER B N 1 175 . B ATOM 1283 C CA . SER B 1 175 ? 13.185 5.901 -5.236 1.0 35.46 ? 176 SER B CA 1 175 . B ATOM 1284 C C . SER B 1 175 ? 14.426 6.766 -5.076 1.0 35.27 ? 176 SER B C 1 175 . B ATOM 1285 O O . SER B 1 175 ? 14.676 7.313 -3.994 1.0 34.26 ? 176 SER B O 1 175 . B ATOM 1286 C CB . SER B 1 175 ? 12.371 6.385 -6.436 1.0 36.56 ? 176 SER B CB 1 175 . B ATOM 1287 O OG . SER B 1 175 ? 12.182 7.787 -6.399 1.0 36.52 ? 176 SER B OG 1 175 . B ATOM 1288 N N . LYS B 1 176 ? 15.202 6.892 -6.146 1.0 32.99 ? 177 LYS B N 1 176 . B ATOM 1289 C CA . LYS B 1 176 ? 16.416 7.697 -6.102 1.0 32.38 ? 177 LYS B CA 1 176 . B ATOM 1290 C C . LYS B 1 176 ? 16.231 8.959 -6.930 1.0 32.04 ? 177 LYS B C 1 176 . B ATOM 1291 O O . LYS B 1 176 ? 17.192 9.676 -7.206 1.0 33.88 ? 177 LYS B O 1 176 . B ATOM 1292 C CB . LYS B 1 176 ? 17.592 6.910 -6.677 1.0 31.57 ? 177 LYS B CB 1 176 . B ATOM 1293 C CG . LYS B 1 176 ? 17.805 5.545 -6.080 1.0 31.42 ? 177 LYS B CG 1 176 . B ATOM 1294 C CD . LYS B 1 176 ? 18.962 4.855 -6.783 1.0 32.25 ? 177 LYS B CD 1 176 . B ATOM 1295 C CE . LYS B 1 176 ? 19.247 3.495 -6.185 1.0 33.43 ? 177 LYS B CE 1 176 . B ATOM 1296 N NZ . LYS B 1 176 ? 20.399 2.837 -6.868 1.0 33.15 ? 177 LYS B NZ 1 176 . B ATOM 1297 N N . LEU B 1 177 ? 14.992 9.239 -7.308 1.0 31.38 ? 178 LEU B N 1 177 . B ATOM 1298 C CA . LEU B 1 177 ? 14.709 10.384 -8.155 1.0 31.33 ? 178 LEU B CA 1 177 . B ATOM 1299 C C . LEU B 1 177 ? 14.187 11.655 -7.507 1.0 30.15 ? 178 LEU B C 1 177 . B ATOM 1300 O O . LEU B 1 177 ? 13.426 11.619 -6.541 1.0 29.41 ? 178 LEU B O 1 177 . B ATOM 1301 C CB . LEU B 1 177 ? 13.716 9.975 -9.240 1.0 33.53 ? 178 LEU B CB 1 177 . B ATOM 1302 C CG . LEU B 1 177 ? 14.054 8.725 -10.047 1.0 33.85 ? 178 LEU B CG 1 177 . B ATOM 1303 C CD1 . LEU B 1 177 ? 12.964 8.502 -11.091 1.0 36.06 ? 178 LEU B CD1 1 177 . B ATOM 1304 C CD2 . LEU B 1 177 ? 15.411 8.887 -10.705 1.0 34.01 ? 178 LEU B CD2 1 177 . B ATOM 1305 N N . PHE B 1 178 ? 14.608 12.783 -8.071 1.0 29.66 ? 179 PHE B N 1 178 . B ATOM 1306 C CA . PHE B 1 178 ? 14.145 14.093 -7.638 1.0 29.0 ? 179 PHE B CA 1 178 . B ATOM 1307 C C . PHE B 1 178 ? 12.974 14.363 -8.573 1.0 29.5 ? 179 PHE B C 1 178 . B ATOM 1308 O O . PHE B 1 178 ? 13.043 14.035 -9.756 1.0 28.85 ? 179 PHE B O 1 178 . B ATOM 1309 C CB . PHE B 1 178 ? 15.224 15.156 -7.853 1.0 27.83 ? 179 PHE B CB 1 178 . B ATOM 1310 C CG . PHE B 1 178 ? 16.251 15.206 -6.759 1.0 25.48 ? 179 PHE B CG 1 178 . B ATOM 1311 C CD1 . PHE B 1 178 ? 15.938 15.758 -5.520 1.0 26.44 ? 179 PHE B CD1 1 178 . B ATOM 1312 C CD2 . PHE B 1 178 ? 17.523 14.685 -6.958 1.0 23.47 ? 179 PHE B CD2 1 178 . B ATOM 1313 C CE1 . PHE B 1 178 ? 16.875 15.791 -4.495 1.0 22.46 ? 179 PHE B CE1 1 178 . B ATOM 1314 C CE2 . PHE B 1 178 ? 18.469 14.711 -5.937 1.0 24.02 ? 179 PHE B CE2 1 178 . B ATOM 1315 C CZ . PHE B 1 178 ? 18.144 15.265 -4.705 1.0 24.77 ? 179 PHE B CZ 1 178 . B ATOM 1316 N N . SER B 1 179 ? 11.900 14.938 -8.048 1.0 29.68 ? 180 SER B N 1 179 . B ATOM 1317 C CA . SER B 1 179 ? 10.723 15.236 -8.862 1.0 29.73 ? 180 SER B CA 1 179 . B ATOM 1318 C C . SER B 1 179 ? 10.998 16.431 -9.768 1.0 31.68 ? 180 SER B C 1 179 . B ATOM 1319 O O . SER B 1 179 ? 11.964 17.167 -9.558 1.0 31.52 ? 180 SER B O 1 179 . B ATOM 1320 C CB . SER B 1 179 ? 9.536 15.558 -7.959 1.0 30.6 ? 180 SER B CB 1 179 . B ATOM 1321 O OG . SER B 1 179 ? 9.752 16.788 -7.288 1.0 30.15 ? 180 SER B OG 1 179 . B ATOM 1322 N N . ASP B 1 180 ? 10.149 16.633 -10.773 1.0 31.91 ? 181 ASP B N 1 180 . B ATOM 1323 C CA . ASP B 1 180 ? 10.327 17.769 -11.671 1.0 31.59 ? 181 ASP B CA 1 180 . B ATOM 1324 C C . ASP B 1 180 ? 10.226 19.066 -10.867 1.0 30.39 ? 181 ASP B C 1 180 . B ATOM 1325 O O . ASP B 1 180 ? 10.913 20.043 -11.156 1.0 29.3 ? 181 ASP B O 1 180 . B ATOM 1326 C CB . ASP B 1 180 ? 9.278 17.756 -12.792 1.0 33.1 ? 181 ASP B CB 1 180 . B ATOM 1327 C CG . ASP B 1 180 ? 9.520 16.650 -13.807 1.0 37.29 ? 181 ASP B CG 1 180 . B ATOM 1328 O OD1 . ASP B 1 180 ? 10.698 16.391 -14.138 1.0 38.5 ? 181 ASP B OD1 1 180 . B ATOM 1329 O OD2 . ASP B 1 180 ? 8.535 16.040 -14.296 1.0 41.65 ? 181 ASP B OD2 1 180 . B ATOM 1330 N N . CYS B 1 181 ? 9.370 19.069 -9.853 1.0 30.65 ? 182 CYS B N 1 181 . B ATOM 1331 C CA . CYS B 1 181 ? 9.209 20.244 -9.002 1.0 32.18 ? 182 CYS B CA 1 181 . B ATOM 1332 C C . CYS B 1 181 ? 10.521 20.559 -8.287 1.0 30.98 ? 182 CYS B C 1 181 . B ATOM 1333 O O . CYS B 1 181 ? 10.926 21.722 -8.201 1.0 29.75 ? 182 CYS B O 1 181 . B ATOM 1334 C CB . CYS B 1 181 ? 8.114 20.002 -7.967 1.0 34.64 ? 182 CYS B CB 1 181 . B ATOM 1335 S SG . CYS B 1 181 ? 6.426 20.074 -8.640 1.0 39.03 ? 182 CYS B SG 1 181 . B ATOM 1336 N N . SER B 1 182 ? 11.173 19.517 -7.773 1.0 29.05 ? 183 SER B N 1 182 . B ATOM 1337 C CA . SER B 1 182 ? 12.444 19.675 -7.067 1.0 27.7 ? 183 SER B CA 1 182 . B ATOM 1338 C C . SER B 1 182 ? 13.523 20.212 -7.997 1.0 27.65 ? 183 SER B C 1 182 . B ATOM 1339 O O . SER B 1 182 ? 14.286 21.103 -7.625 1.0 26.16 ? 183 SER B O 1 182 . B ATOM 1340 C CB . SER B 1 182 ? 12.904 18.337 -6.474 1.0 27.36 ? 183 SER B CB 1 182 . B ATOM 1341 O OG . SER B 1 182 ? 12.141 17.986 -5.330 1.0 26.06 ? 183 SER B OG 1 182 . B ATOM 1342 N N . LYS B 1 183 ? 13.591 19.669 -9.209 1.0 27.62 ? 184 LYS B N 1 183 . B ATOM 1343 C CA . LYS B 1 183 ? 14.592 20.122 -10.168 1.0 28.47 ? 184 LYS B CA 1 183 . B ATOM 1344 C C . LYS B 1 183 ? 14.326 21.578 -10.542 1.0 29.04 ? 184 LYS B C 1 183 . B ATOM 1345 O O . LYS B 1 183 ? 15.258 22.345 -10.788 1.0 28.01 ? 184 LYS B O 1 183 . B ATOM 1346 C CB . LYS B 1 183 ? 14.573 19.240 -11.420 1.0 28.72 ? 184 LYS B CB 1 183 . B ATOM 1347 C CG . LYS B 1 183 ? 14.999 17.803 -11.160 1.0 29.71 ? 184 LYS B CG 1 183 . B ATOM 1348 C CD . LYS B 1 183 ? 15.032 17.000 -12.448 1.0 30.81 ? 184 LYS B CD 1 183 . B ATOM 1349 C CE . LYS B 1 183 ? 15.472 15.569 -12.192 1.0 31.7 ? 184 LYS B CE 1 183 . B ATOM 1350 N NZ . LYS B 1 183 ? 15.420 14.755 -13.442 1.0 34.0 ? 184 LYS B NZ 1 183 . B ATOM 1351 N N . ASP B 1 184 ? 13.049 21.948 -10.585 1.0 29.09 ? 185 ASP B N 1 184 . B ATOM 1352 C CA . ASP B 1 184 ? 12.665 23.316 -10.902 1.0 30.03 ? 185 ASP B CA 1 184 . B ATOM 1353 C C . ASP B 1 184 ? 13.150 24.223 -9.777 1.0 28.21 ? 185 ASP B C 1 184 . B ATOM 1354 O O . ASP B 1 184 ? 13.676 25.308 -10.027 1.0 27.19 ? 185 ASP B O 1 184 . B ATOM 1355 C CB . ASP B 1 184 ? 11.142 23.433 -11.040 1.0 32.98 ? 185 ASP B CB 1 184 . B ATOM 1356 C CG . ASP B 1 184 ? 10.649 23.105 -12.447 1.0 37.51 ? 185 ASP B CG 1 184 . B ATOM 1357 O OD1 . ASP B 1 184 ? 9.416 22.993 -12.635 1.0 38.31 ? 185 ASP B OD1 1 184 . B ATOM 1358 O OD2 . ASP B 1 184 ? 11.488 22.971 -13.365 1.0 38.1 ? 185 ASP B OD2 1 184 . B ATOM 1359 N N . ASP B 1 185 ? 12.969 23.771 -8.537 1.0 25.78 ? 186 ASP B N 1 185 . B ATOM 1360 C CA . ASP B 1 185 ? 13.406 24.550 -7.380 1.0 24.79 ? 186 ASP B CA 1 185 . B ATOM 1361 C C . ASP B 1 185 ? 14.921 24.687 -7.395 1.0 23.19 ? 186 ASP B C 1 185 . B ATOM 1362 O O . ASP B 1 185 ? 15.468 25.732 -7.034 1.0 21.94 ? 186 ASP B O 1 185 . B ATOM 1363 C CB . ASP B 1 185 ? 13.000 23.873 -6.068 1.0 26.64 ? 186 ASP B CB 1 185 . B ATOM 1364 C CG . ASP B 1 185 ? 11.515 23.960 -5.794 1.0 27.64 ? 186 ASP B CG 1 185 . B ATOM 1365 O OD1 . ASP B 1 185 ? 10.823 24.737 -6.482 1.0 28.61 ? 186 ASP B OD1 1 185 . B ATOM 1366 O OD2 . ASP B 1 185 ? 11.046 23.257 -4.875 1.0 28.5 ? 186 ASP B OD2 1 185 . B ATOM 1367 N N . TYR B 1 186 ? 15.603 23.621 -7.799 1.0 21.76 ? 187 TYR B N 1 186 . B ATOM 1368 C CA . TYR B 1 186 ? 17.051 23.662 -7.833 1.0 22.18 ? 187 TYR B CA 1 186 . B ATOM 1369 C C . TYR B 1 186 ? 17.524 24.669 -8.873 1.0 22.03 ? 187 TYR B C 1 186 . B ATOM 1370 O O . TYR B 1 186 ? 18.494 25.387 -8.644 1.0 21.23 ? 187 TYR B O 1 186 . B ATOM 1371 C CB . TYR B 1 186 ? 17.634 22.272 -8.118 1.0 21.93 ? 187 TYR B CB 1 186 . B ATOM 1372 C CG . TYR B 1 186 ? 19.143 22.274 -8.170 1.0 21.06 ? 187 TYR B CG 1 186 . B ATOM 1373 C CD1 . TYR B 1 186 ? 19.893 22.784 -7.108 1.0 21.13 ? 187 TYR B CD1 1 186 . B ATOM 1374 C CD2 . TYR B 1 186 ? 19.825 21.811 -9.294 1.0 22.44 ? 187 TYR B CD2 1 186 . B ATOM 1375 C CE1 . TYR B 1 186 ? 21.290 22.836 -7.165 1.0 21.09 ? 187 TYR B CE1 1 186 . B ATOM 1376 C CE2 . TYR B 1 186 ? 21.221 21.859 -9.363 1.0 22.82 ? 187 TYR B CE2 1 186 . B ATOM 1377 C CZ . TYR B 1 186 ? 21.945 22.374 -8.295 1.0 21.76 ? 187 TYR B CZ 1 186 . B ATOM 1378 O OH . TYR B 1 186 ? 23.321 22.433 -8.356 1.0 19.67 ? 187 TYR B OH 1 186 . B ATOM 1379 N N . GLN B 1 187 ? 16.832 24.732 -10.008 1.0 24.2 ? 188 GLN B N 1 187 . B ATOM 1380 C CA . GLN B 1 187 ? 17.198 25.682 -11.057 1.0 25.31 ? 188 GLN B CA 1 187 . B ATOM 1381 C C . GLN B 1 187 ? 17.055 27.114 -10.546 1.0 24.87 ? 188 GLN B C 1 187 . B ATOM 1382 O O . GLN B 1 187 ? 17.916 27.961 -10.792 1.0 24.99 ? 188 GLN B O 1 187 . B ATOM 1383 C CB . GLN B 1 187 ? 16.317 25.492 -12.302 1.0 27.98 ? 188 GLN B CB 1 187 . B ATOM 1384 C CG . GLN B 1 187 ? 16.675 26.439 -13.443 1.0 31.79 ? 188 GLN B CG 1 187 . B ATOM 1385 C CD . GLN B 1 187 ? 18.165 26.433 -13.756 1.0 36.37 ? 188 GLN B CD 1 187 . B ATOM 1386 O OE1 . GLN B 1 187 ? 18.706 25.438 -14.240 1.0 37.72 ? 188 GLN B OE1 1 187 . B ATOM 1387 N NE2 . GLN B 1 187 ? 18.839 27.550 -13.466 1.0 37.54 ? 188 GLN B NE2 1 187 . B ATOM 1388 N N . THR B 1 188 ? 15.965 27.384 -9.835 1.0 24.14 ? 189 THR B N 1 188 . B ATOM 1389 C CA . THR B 1 188 ? 15.733 28.715 -9.289 1.0 25.09 ? 189 THR B CA 1 188 . B ATOM 1390 C C . THR B 1 188 ? 16.831 29.038 -8.277 1.0 24.33 ? 189 THR B C 1 188 . B ATOM 1391 O O . THR B 1 188 ? 17.318 30.167 -8.199 1.0 23.82 ? 189 THR B O 1 188 . B ATOM 1392 C CB . THR B 1 188 ? 14.366 28.792 -8.594 1.0 27.0 ? 189 THR B CB 1 188 . B ATOM 1393 O OG1 . THR B 1 188 ? 13.334 28.581 -9.564 1.0 28.54 ? 189 THR B OG1 1 188 . B ATOM 1394 C CG2 . THR B 1 188 ? 14.173 30.153 -7.939 1.0 28.25 ? 189 THR B CG2 1 188 . B ATOM 1395 N N . PHE B 1 189 ? 17.204 28.028 -7.502 1.0 22.76 ? 190 PHE B N 1 189 . B ATOM 1396 C CA . PHE B 1 189 ? 18.251 28.154 -6.504 1.0 22.32 ? 190 PHE B CA 1 189 . B ATOM 1397 C C . PHE B 1 189 ? 19.548 28.596 -7.177 1.0 20.54 ? 190 PHE B C 1 189 . B ATOM 1398 O O . PHE B 1 189 ? 20.190 29.556 -6.748 1.0 21.64 ? 190 PHE B O 1 189 . B ATOM 1399 C CB . PHE B 1 189 ? 18.460 26.803 -5.820 1.0 22.18 ? 190 PHE B CB 1 189 . B ATOM 1400 C CG . PHE B 1 189 ? 19.679 26.738 -4.942 1.0 21.26 ? 190 PHE B CG 1 189 . B ATOM 1401 C CD1 . PHE B 1 189 ? 19.640 27.203 -3.631 1.0 20.8 ? 190 PHE B CD1 1 189 . B ATOM 1402 C CD2 . PHE B 1 189 ? 20.862 26.185 -5.421 1.0 20.71 ? 190 PHE B CD2 1 189 . B ATOM 1403 C CE1 . PHE B 1 189 ? 20.766 27.114 -2.807 1.0 19.84 ? 190 PHE B CE1 1 189 . B ATOM 1404 C CE2 . PHE B 1 189 ? 21.993 26.091 -4.607 1.0 20.63 ? 190 PHE B CE2 1 189 . B ATOM 1405 C CZ . PHE B 1 189 ? 21.941 26.557 -3.298 1.0 20.11 ? 190 PHE B CZ 1 189 . B ATOM 1406 N N . LEU B 1 190 ? 19.934 27.896 -8.238 1.0 21.54 ? 191 LEU B N 1 190 . B ATOM 1407 C CA . LEU B 1 190 ? 21.171 28.225 -8.938 1.0 21.12 ? 191 LEU B CA 1 190 . B ATOM 1408 C C . LEU B 1 190 ? 21.179 29.653 -9.455 1.0 21.99 ? 191 LEU B C 1 190 . B ATOM 1409 O O . LEU B 1 190 ? 22.217 30.308 -9.466 1.0 22.82 ? 191 LEU B O 1 190 . B ATOM 1410 C CB . LEU B 1 190 ? 21.402 27.262 -10.111 1.0 21.2 ? 191 LEU B CB 1 190 . B ATOM 1411 C CG . LEU B 1 190 ? 21.785 25.824 -9.755 1.0 22.38 ? 191 LEU B CG 1 190 . B ATOM 1412 C CD1 . LEU B 1 190 ? 21.998 25.008 -11.029 1.0 23.97 ? 191 LEU B CD1 1 190 . B ATOM 1413 C CD2 . LEU B 1 190 ? 23.060 25.841 -8.926 1.0 22.63 ? 191 LEU B CD2 1 190 . B ATOM 1414 N N . THR B 1 191 ? 20.020 30.137 -9.881 1.0 21.78 ? 192 THR B N 1 191 . B ATOM 1415 C CA . THR B 1 191 ? 19.930 31.491 -10.412 1.0 23.63 ? 192 THR B CA 1 191 . B ATOM 1416 C C . THR B 1 191 ? 19.745 32.579 -9.362 1.0 22.44 ? 192 THR B C 1 191 . B ATOM 1417 O O . THR B 1 191 ? 20.490 33.558 -9.348 1.0 21.19 ? 192 THR B O 1 191 . B ATOM 1418 C CB . THR B 1 191 ? 18.771 31.616 -11.417 1.0 24.04 ? 192 THR B CB 1 191 . B ATOM 1419 O OG1 . THR B 1 191 ? 18.963 30.680 -12.483 1.0 25.99 ? 192 THR B OG1 1 191 . B ATOM 1420 C CG2 . THR B 1 191 ? 18.718 33.035 -11.997 1.0 26.47 ? 192 THR B CG2 1 191 . B ATOM 1421 N N . ASN B 1 192 ? 18.756 32.397 -8.487 1.0 23.3 ? 193 ASN B N 1 192 . B ATOM 1422 C CA . ASN B 1 192 ? 18.428 33.389 -7.468 1.0 23.02 ? 193 ASN B CA 1 192 . B ATOM 1423 C C . ASN B 1 192 ? 19.222 33.357 -6.167 1.0 22.11 ? 193 ASN B C 1 192 . B ATOM 1424 O O . ASN B 1 192 ? 19.262 34.360 -5.456 1.0 21.89 ? 193 ASN B O 1 192 . B ATOM 1425 C CB . ASN B 1 192 ? 16.930 33.330 -7.155 1.0 26.65 ? 193 ASN B CB 1 192 . B ATOM 1426 C CG . ASN B 1 192 ? 16.066 33.720 -8.346 1.0 28.36 ? 193 ASN B CG 1 192 . B ATOM 1427 O OD1 . ASN B 1 192 ? 14.836 33.735 -8.262 1.0 33.38 ? 193 ASN B OD1 1 192 . B ATOM 1428 N ND2 . ASN B 1 192 ? 16.707 34.040 -9.459 1.0 31.76 ? 193 ASN B ND2 1 192 . B ATOM 1429 N N . THR B 1 193 ? 19.834 32.221 -5.843 1.0 20.7 ? 194 THR B N 1 193 . B ATOM 1430 C CA . THR B 1 193 ? 20.646 32.126 -4.629 1.0 20.43 ? 194 THR B CA 1 193 . B ATOM 1431 C C . THR B 1 193 ? 22.095 32.175 -5.105 1.0 21.51 ? 194 THR B C 1 193 . B ATOM 1432 O O . THR B 1 193 ? 22.892 32.983 -4.619 1.0 18.53 ? 194 THR B O 1 193 . B ATOM 1433 C CB . THR B 1 193 ? 20.367 30.818 -3.849 1.0 22.4 ? 194 THR B CB 1 193 . B ATOM 1434 O OG1 . THR B 1 193 ? 19.000 30.810 -3.404 1.0 25.29 ? 194 THR B OG1 1 193 . B ATOM 1435 C CG2 . THR B 1 193 ? 21.288 30.713 -2.636 1.0 20.76 ? 194 THR B CG2 1 193 . B ATOM 1436 N N . ASN B 1 194 ? 22.420 31.322 -6.074 1.0 20.42 ? 195 ASN B N 1 194 . B ATOM 1437 C CA . ASN B 1 194 ? 23.749 31.305 -6.672 1.0 21.07 ? 195 ASN B CA 1 194 . B ATOM 1438 C C . ASN B 1 194 ? 24.875 31.330 -5.631 1.0 21.46 ? 195 ASN B C 1 194 . B ATOM 1439 O O . ASN B 1 194 ? 25.701 32.243 -5.605 1.0 22.02 ? 195 ASN B O 1 194 . B ATOM 1440 C CB . ASN B 1 194 ? 23.850 32.498 -7.644 1.0 22.15 ? 195 ASN B CB 1 194 . B ATOM 1441 C CG . ASN B 1 194 ? 25.233 32.663 -8.252 1.0 23.35 ? 195 ASN B CG 1 194 . B ATOM 1442 O OD1 . ASN B 1 194 ? 25.919 31.687 -8.548 1.0 22.58 ? 195 ASN B OD1 1 194 . B ATOM 1443 N ND2 . ASN B 1 194 ? 25.640 33.917 -8.455 1.0 21.07 ? 195 ASN B ND2 1 194 . B ATOM 1444 N N . PRO B 1 195 ? 24.914 30.317 -4.749 1.0 22.21 ? 196 PRO B N 1 195 . B ATOM 1445 C CA . PRO B 1 195 ? 25.949 30.235 -3.711 1.0 22.08 ? 196 PRO B CA 1 195 . B ATOM 1446 C C . PRO B 1 195 ? 27.298 30.007 -4.384 1.0 21.68 ? 196 PRO B C 1 195 . B ATOM 1447 O O . PRO B 1 195 ? 27.395 29.247 -5.343 1.0 21.94 ? 196 PRO B O 1 195 . B ATOM 1448 C CB . PRO B 1 195 ? 25.489 29.050 -2.862 1.0 21.91 ? 196 PRO B CB 1 195 . B ATOM 1449 C CG . PRO B 1 195 ? 24.833 28.163 -3.869 1.0 22.85 ? 196 PRO B CG 1 195 . B ATOM 1450 C CD . PRO B 1 195 ? 24.029 29.140 -4.705 1.0 20.04 ? 196 PRO B CD 1 195 . B ATOM 1451 N N . GLN B 1 196 ? 28.337 30.654 -3.873 1.0 20.15 ? 197 GLN B N 1 196 . B ATOM 1452 C CA . GLN B 1 196 ? 29.661 30.565 -4.472 1.0 20.75 ? 197 GLN B CA 1 196 . B ATOM 1453 C C . GLN B 1 196 ? 30.513 29.328 -4.193 1.0 19.76 ? 197 GLN B C 1 196 . B ATOM 1454 O O . GLN B 1 196 ? 31.198 28.832 -5.088 1.0 18.63 ? 197 GLN B O 1 196 . B ATOM 1455 C CB . GLN B 1 196 ? 30.450 31.811 -4.086 1.0 20.78 ? 197 GLN B CB 1 196 . B ATOM 1456 C CG . GLN B 1 196 ? 29.722 33.092 -4.434 1.0 22.41 ? 197 GLN B CG 1 196 . B ATOM 1457 C CD . GLN B 1 196 ? 29.607 33.283 -5.926 1.0 23.4 ? 197 GLN B CD 1 196 . B ATOM 1458 O OE1 . GLN B 1 196 ? 30.601 33.522 -6.601 1.0 24.84 ? 197 GLN B OE1 1 196 . B ATOM 1459 N NE2 . GLN B 1 196 ? 28.390 33.166 -6.453 1.0 22.58 ? 197 GLN B NE2 1 196 . B ATOM 1460 N N . CYS B 1 197 ? 30.474 28.816 -2.969 1.0 19.33 ? 198 CYS B N 1 197 . B ATOM 1461 C CA . CYS B 1 197 ? 31.319 27.675 -2.639 1.0 20.56 ? 198 CYS B CA 1 197 . B ATOM 1462 C C . CYS B 1 197 ? 31.125 26.424 -3.501 1.0 20.35 ? 198 CYS B C 1 197 . B ATOM 1463 O O . CYS B 1 197 ? 32.095 25.730 -3.802 1.0 19.45 ? 198 CYS B O 1 197 . B ATOM 1464 C CB . CYS B 1 197 ? 31.205 27.338 -1.141 1.0 20.87 ? 198 CYS B CB 1 197 . B ATOM 1465 S SG . CYS B 1 197 ? 29.816 26.292 -0.571 1.0 24.63 ? 198 CYS B SG 1 197 . B ATOM 1466 N N . ILE B 1 198 ? 29.899 26.151 -3.933 1.0 19.92 ? 199 ILE B N 1 198 . B ATOM 1467 C CA . ILE B 1 198 ? 29.651 24.954 -4.735 1.0 20.02 ? 199 ILE B CA 1 198 . B ATOM 1468 C C . ILE B 1 198 ? 30.132 25.045 -6.183 1.0 21.37 ? 199 ILE B C 1 198 . B ATOM 1469 O O . ILE B 1 198 ? 29.928 24.120 -6.964 1.0 19.88 ? 199 ILE B O 1 198 . B ATOM 1470 C CB . ILE B 1 198 ? 28.151 24.556 -4.732 1.0 20.45 ? 199 ILE B CB 1 198 . B ATOM 1471 C CG1 . ILE B 1 198 ? 27.300 25.677 -5.325 1.0 20.77 ? 199 ILE B CG1 1 198 . B ATOM 1472 C CG2 . ILE B 1 198 ? 27.701 24.239 -3.308 1.0 19.63 ? 199 ILE B CG2 1 198 . B ATOM 1473 C CD1 . ILE B 1 198 ? 25.836 25.291 -5.504 1.0 21.36 ? 199 ILE B CD1 1 198 . B ATOM 1474 N N . LEU B 1 199 ? 30.771 26.157 -6.535 1.0 22.03 ? 200 LEU B N 1 199 . B ATOM 1475 C CA . LEU B 1 199 ? 31.309 26.334 -7.885 1.0 24.72 ? 200 LEU B CA 1 199 . B ATOM 1476 C C . LEU B 1 199 ? 32.724 25.748 -7.945 1.0 24.69 ? 200 LEU B C 1 199 . B ATOM 1477 O O . LEU B 1 199 ? 33.265 25.491 -9.024 1.0 25.42 ? 200 LEU B O 1 199 . B ATOM 1478 C CB . LEU B 1 199 ? 31.398 27.821 -8.231 1.0 26.06 ? 200 LEU B CB 1 199 . B ATOM 1479 C CG . LEU B 1 199 ? 30.144 28.686 -8.339 1.0 26.06 ? 200 LEU B CG 1 199 . B ATOM 1480 C CD1 . LEU B 1 199 ? 30.550 30.153 -8.410 1.0 27.59 ? 200 LEU B CD1 1 199 . B ATOM 1481 C CD2 . LEU B 1 199 ? 29.355 28.297 -9.573 1.0 26.85 ? 200 LEU B CD2 1 199 . B ATOM 1482 N N . ASN B 1 200 ? 33.310 25.531 -6.773 1.0 24.16 ? 201 ASN B N 1 200 . B ATOM 1483 C CA . ASN B 1 200 ? 34.684 25.051 -6.667 1.0 24.89 ? 201 ASN B CA 1 200 . B ATOM 1484 C C . ASN B 1 200 ? 34.876 23.557 -6.475 1.0 25.28 ? 201 ASN B C 1 200 . B ATOM 1485 O O . ASN B 1 200 ? 34.357 22.974 -5.526 1.0 24.79 ? 201 ASN B O 1 200 . B ATOM 1486 C CB . ASN B 1 200 ? 35.373 25.781 -5.517 1.0 25.95 ? 201 ASN B CB 1 200 . B ATOM 1487 C CG . ASN B 1 200 ? 35.245 27.282 -5.629 1.0 27.59 ? 201 ASN B CG 1 200 . B ATOM 1488 O OD1 . ASN B 1 200 ? 35.014 27.975 -4.637 1.0 30.51 ? 201 ASN B OD1 1 200 . B ATOM 1489 N ND2 . ASN B 1 200 ? 35.400 27.794 -6.838 1.0 28.39 ? 201 ASN B ND2 1 200 . B ATOM 1490 N N . ALA B 1 201 ? 35.651 22.944 -7.365 1.0 24.9 ? 202 ALA B N 1 201 . B ATOM 1491 C CA . ALA B 1 201 ? 35.934 21.513 -7.269 1.0 25.09 ? 202 ALA B CA 1 201 . B ATOM 1492 C C . ALA B 1 201 ? 36.871 21.278 -6.083 1.0 25.56 ? 202 ALA B C 1 201 . B ATOM 1493 O O . ALA B 1 201 ? 37.660 22.155 -5.719 1.0 24.84 ? 202 ALA B O 1 201 . B ATOM 1494 C CB . ALA B 1 201 ? 36.580 21.021 -8.558 1.0 25.44 ? 202 ALA B CB 1 201 . B ATOM 1495 N N . PRO B 1 202 ? 36.793 20.093 -5.455 1.0 26.33 ? 203 PRO B N 1 202 . B ATOM 1496 C CA . PRO B 1 202 ? 37.662 19.800 -4.308 1.0 28.07 ? 203 PRO B CA 1 202 . B ATOM 1497 C C . PRO B 1 202 ? 39.127 19.568 -4.690 1.0 28.86 ? 203 PRO B C 1 202 . B ATOM 1498 O O . PRO B 1 202 ? 39.394 19.338 -5.888 1.0 30.02 ? 203 PRO B O 1 202 . B ATOM 1499 C CB . PRO B 1 202 ? 37.015 18.555 -3.699 1.0 27.91 ? 203 PRO B CB 1 202 . B ATOM 1500 C CG . PRO B 1 202 ? 36.435 17.864 -4.894 1.0 26.96 ? 203 PRO B CG 1 202 . B ATOM 1501 C CD . PRO B 1 202 ? 35.822 19.006 -5.674 1.0 27.08 ? 203 PRO B CD 1 202 . B ATOM 1502 O OXT . PRO B 1 202 ? 39.987 19.606 -3.783 1.0 29.76 ? 203 PRO B OXT 1 202 . B HETATM 1503 ZN ZN . ZN G 2 . ? 11.935 17.962 4.301 1.0 24.71 ? 301 ZN G ZN 1 301 . B HETATM 1504 ZN ZN . ZN H 2 . ? 11.182 20.490 20.689 1.0 25.03 ? 302 ZN H ZN 1 302 . B HETATM 1505 O O . HOH J 3 . ? 20.607 6.627 21.206 1.0 45.58 ? 401 HOH J O 1 401 . B HETATM 1506 O O . HOH J 3 . ? 23.990 22.661 26.717 1.0 57.01 ? 402 HOH J O 1 402 . B HETATM 1507 O O . HOH J 3 . ? 41.344 21.787 -6.943 1.0 53.39 ? 403 HOH J O 1 403 . B HETATM 1508 O O . HOH J 3 . ? 33.298 14.027 -10.461 1.0 50.13 ? 404 HOH J O 1 404 . B HETATM 1509 O O . HOH J 3 . ? 28.058 6.421 -5.856 1.0 28.47 ? 405 HOH J O 1 405 . B HETATM 1510 O O . HOH J 3 . ? 30.663 9.619 -12.059 1.0 44.68 ? 406 HOH J O 1 406 . B HETATM 1511 O O . HOH J 3 . ? 23.318 -0.509 20.155 1.0 45.96 ? 407 HOH J O 1 407 . B HETATM 1512 O O . HOH J 3 . ? 37.229 1.818 6.211 1.0 44.61 ? 408 HOH J O 1 408 . B HETATM 1513 O O . HOH J 3 . ? 38.502 23.463 -3.329 1.0 46.68 ? 409 HOH J O 1 409 . B HETATM 1514 O O . HOH J 3 . ? 32.700 5.222 -5.239 1.0 47.19 ? 410 HOH J O 1 410 . B HETATM 1515 O O . HOH J 3 . ? 10.927 7.181 12.215 1.0 54.86 ? 411 HOH J O 1 411 . B HETATM 1516 O O . HOH J 3 . ? 13.636 4.765 13.790 1.0 45.3 ? 412 HOH J O 1 412 . B HETATM 1517 O O . HOH J 3 . ? 18.189 12.784 24.175 1.0 56.58 ? 413 HOH J O 1 413 . B HETATM 1518 O O . HOH J 3 . ? 39.681 17.665 9.495 1.0 39.19 ? 414 HOH J O 1 414 . B HETATM 1519 O O . HOH J 3 . ? 36.976 10.839 5.309 1.0 42.56 ? 415 HOH J O 1 415 . B HETATM 1520 O O . HOH J 3 . ? 24.137 0.123 23.490 1.0 53.94 ? 416 HOH J O 1 416 . B HETATM 1521 O O . HOH J 3 . ? 29.352 13.443 25.090 1.0 37.38 ? 417 HOH J O 1 417 . B HETATM 1522 O O . HOH J 3 . ? 43.125 21.628 6.351 1.0 60.2 ? 418 HOH J O 1 418 . B HETATM 1523 O O . HOH J 3 . ? 35.978 8.332 6.079 1.0 35.87 ? 419 HOH J O 1 419 . B HETATM 1524 O O . HOH J 3 . ? 30.663 7.185 -5.493 1.0 35.93 ? 420 HOH J O 1 420 . B HETATM 1525 O O . HOH J 3 . ? 32.108 18.875 25.178 1.0 52.25 ? 421 HOH J O 1 421 . B HETATM 1526 O O . HOH J 3 . ? 38.253 12.950 7.754 1.0 35.6 ? 422 HOH J O 1 422 . B HETATM 1527 O O . HOH J 3 . ? 13.082 17.075 6.614 1.0 27.47 ? 423 HOH J O 1 423 . B HETATM 1528 O O . HOH J 3 . ? 26.442 34.975 6.629 1.0 21.81 ? 424 HOH J O 1 424 . B HETATM 1529 O O . HOH J 3 . ? 5.895 20.009 3.911 1.0 30.85 ? 425 HOH J O 1 425 . B HETATM 1530 O O . HOH J 3 . ? 25.756 34.017 -3.433 1.0 22.01 ? 426 HOH J O 1 426 . B HETATM 1531 O O . HOH J 3 . ? 18.603 11.169 -8.633 1.0 28.77 ? 427 HOH J O 1 427 . B HETATM 1532 O O . HOH J 3 . ? 24.309 21.529 -10.717 1.0 26.33 ? 428 HOH J O 1 428 . B HETATM 1533 O O . HOH J 3 . ? 12.769 27.395 -12.277 1.0 41.63 ? 429 HOH J O 1 429 . B HETATM 1534 O O . HOH J 3 . ? 27.434 25.742 19.572 1.0 26.62 ? 430 HOH J O 1 430 . B HETATM 1535 O O . HOH J 3 . ? 9.773 19.393 -4.604 1.0 27.74 ? 431 HOH J O 1 431 . B HETATM 1536 O O . HOH J 3 . ? 23.435 33.682 15.907 1.0 35.3 ? 432 HOH J O 1 432 . B HETATM 1537 O O . HOH J 3 . ? 37.042 7.663 16.779 1.0 49.54 ? 433 HOH J O 1 433 . B HETATM 1538 O O . HOH J 3 . ? 12.614 18.041 17.066 1.0 19.78 ? 434 HOH J O 1 434 . B HETATM 1539 O O . HOH J 3 . ? 37.105 12.249 14.607 1.0 31.94 ? 435 HOH J O 1 435 . B HETATM 1540 O O . HOH J 3 . ? 37.393 -1.864 15.137 1.0 54.44 ? 436 HOH J O 1 436 . B HETATM 1541 O O . HOH J 3 . ? 31.639 10.848 -3.373 1.0 23.35 ? 437 HOH J O 1 437 . B HETATM 1542 O O . HOH J 3 . ? 25.590 27.909 20.060 1.0 30.72 ? 438 HOH J O 1 438 . B HETATM 1543 O O . HOH J 3 . ? 36.929 28.949 1.543 1.0 61.79 ? 439 HOH J O 1 439 . B HETATM 1544 O O . HOH J 3 . ? 42.305 25.746 7.744 1.0 55.25 ? 440 HOH J O 1 440 . B HETATM 1545 O O . HOH J 3 . ? 33.212 27.667 3.084 1.0 53.88 ? 441 HOH J O 1 441 . B HETATM 1546 O O . HOH J 3 . ? 33.586 13.804 -7.663 1.0 31.87 ? 442 HOH J O 1 442 . B HETATM 1547 O O . HOH J 3 . ? 23.319 5.791 21.312 1.0 26.07 ? 443 HOH J O 1 443 . B HETATM 1548 O O . HOH J 3 . ? 15.721 29.139 -3.645 1.0 22.86 ? 444 HOH J O 1 444 . B HETATM 1549 O O . HOH J 3 . ? 16.766 12.839 -10.067 1.0 27.28 ? 445 HOH J O 1 445 . B HETATM 1550 O O . HOH J 3 . ? 26.434 -0.078 10.051 1.0 31.93 ? 446 HOH J O 1 446 . B HETATM 1551 O O . HOH J 3 . ? 19.028 1.691 13.050 1.0 42.2 ? 447 HOH J O 1 447 . B HETATM 1552 O O . HOH J 3 . ? 23.130 -2.362 11.276 1.0 36.92 ? 448 HOH J O 1 448 . B HETATM 1553 O O . HOH J 3 . ? 36.381 24.469 20.521 1.0 35.05 ? 449 HOH J O 1 449 . B HETATM 1554 O O . HOH J 3 . ? 23.725 6.829 23.852 1.0 32.14 ? 450 HOH J O 1 450 . B HETATM 1555 O O . HOH J 3 . ? 16.301 12.255 -12.728 1.0 38.35 ? 451 HOH J O 1 451 . B HETATM 1556 O O . HOH J 3 . ? 25.413 33.357 3.116 1.0 16.86 ? 452 HOH J O 1 452 . B HETATM 1557 O O . HOH J 3 . ? 28.195 31.849 -1.163 1.0 30.5 ? 453 HOH J O 1 453 . B HETATM 1558 O O . HOH J 3 . ? 12.869 5.602 17.427 1.0 49.03 ? 454 HOH J O 1 454 . B HETATM 1559 O O . HOH J 3 . ? 34.572 31.078 -4.742 1.0 43.64 ? 455 HOH J O 1 455 . B HETATM 1560 O O . HOH J 3 . ? 28.836 20.287 25.330 1.0 55.61 ? 456 HOH J O 1 456 . B HETATM 1561 O O . HOH J 3 . ? 26.092 35.199 12.744 1.0 29.03 ? 457 HOH J O 1 457 . B HETATM 1562 O O . HOH J 3 . ? 35.072 22.340 20.024 1.0 30.63 ? 458 HOH J O 1 458 . B HETATM 1563 O O . HOH J 3 . ? 15.806 19.028 23.583 1.0 27.67 ? 459 HOH J O 1 459 . B HETATM 1564 O O . HOH J 3 . ? 20.507 26.318 19.451 1.0 25.13 ? 460 HOH J O 1 460 . B HETATM 1565 O O . HOH J 3 . ? 2.966 25.454 -11.158 1.0 56.54 ? 461 HOH J O 1 461 . B HETATM 1566 O O . HOH J 3 . ? 22.891 -1.401 8.868 1.0 35.89 ? 462 HOH J O 1 462 . B HETATM 1567 O O . HOH J 3 . ? 13.057 8.939 -2.249 1.0 27.81 ? 463 HOH J O 1 463 . B HETATM 1568 O O . HOH J 3 . ? 34.171 32.311 1.567 1.0 34.13 ? 464 HOH J O 1 464 . B HETATM 1569 O O . HOH J 3 . ? 35.433 17.139 15.973 1.0 28.08 ? 465 HOH J O 1 465 . B HETATM 1570 O O . HOH J 3 . ? 22.033 21.927 21.566 1.0 24.5 ? 466 HOH J O 1 466 . B HETATM 1571 O O . HOH J 3 . ? 23.614 35.411 -5.531 1.0 22.85 ? 467 HOH J O 1 467 . B HETATM 1572 O O . HOH J 3 . ? 34.397 25.142 0.697 1.0 25.79 ? 468 HOH J O 1 468 . B HETATM 1573 O O . HOH J 3 . ? 19.103 5.302 16.543 1.0 30.31 ? 469 HOH J O 1 469 . B HETATM 1574 O O . HOH J 3 . ? 14.839 24.860 9.424 1.0 34.99 ? 470 HOH J O 1 470 . B HETATM 1575 O O . HOH J 3 . ? 32.787 32.599 8.347 1.0 48.68 ? 471 HOH J O 1 471 . B HETATM 1576 O O . HOH J 3 . ? 22.916 29.925 0.337 1.0 25.5 ? 472 HOH J O 1 472 . B HETATM 1577 O O . HOH J 3 . ? 32.504 31.642 3.529 1.0 36.43 ? 473 HOH J O 1 473 . B HETATM 1578 O O . HOH J 3 . ? 11.980 19.974 -13.960 1.0 41.98 ? 474 HOH J O 1 474 . B HETATM 1579 O O . HOH J 3 . ? 22.957 20.518 -19.322 1.0 46.41 ? 475 HOH J O 1 475 . B HETATM 1580 O O . HOH J 3 . ? 28.365 15.943 -11.536 1.0 36.73 ? 476 HOH J O 1 476 . B HETATM 1581 O O . HOH J 3 . ? 27.339 13.118 -7.203 1.0 25.02 ? 477 HOH J O 1 477 . B HETATM 1582 O O . HOH J 3 . ? 33.708 11.156 -1.109 1.0 22.52 ? 478 HOH J O 1 478 . B HETATM 1583 O O . HOH J 3 . ? 32.964 17.441 -4.961 1.0 29.82 ? 479 HOH J O 1 479 . B HETATM 1584 O O . HOH J 3 . ? 35.553 16.793 -0.696 1.0 28.14 ? 480 HOH J O 1 480 . B HETATM 1585 O O . HOH J 3 . ? 25.222 12.229 21.032 1.0 21.94 ? 481 HOH J O 1 481 . B HETATM 1586 O O . HOH J 3 . ? 34.893 13.960 20.769 1.0 39.89 ? 482 HOH J O 1 482 . B HETATM 1587 O O . HOH J 3 . ? 25.415 15.776 23.883 1.0 24.32 ? 483 HOH J O 1 483 . B HETATM 1588 O O . HOH J 3 . ? 35.630 8.821 26.163 1.0 46.58 ? 484 HOH J O 1 484 . B HETATM 1589 O O . HOH J 3 . ? 25.019 11.368 27.300 1.0 45.17 ? 485 HOH J O 1 485 . B HETATM 1590 O O . HOH J 3 . ? 20.101 18.145 26.996 1.0 57.42 ? 486 HOH J O 1 486 . B HETATM 1591 O O . HOH J 3 . ? 20.692 20.455 28.399 1.0 50.79 ? 487 HOH J O 1 487 . B HETATM 1592 O O . HOH J 3 . ? 27.226 29.843 21.205 1.0 50.07 ? 488 HOH J O 1 488 . B HETATM 1593 O O . HOH J 3 . ? 31.947 25.390 20.705 1.0 45.93 ? 489 HOH J O 1 489 . B HETATM 1594 O O . HOH J 3 . ? 28.795 31.705 17.371 1.0 32.53 ? 490 HOH J O 1 490 . B HETATM 1595 O O . HOH J 3 . ? 29.561 29.747 19.037 1.0 33.89 ? 491 HOH J O 1 491 . B HETATM 1596 O O . HOH J 3 . ? 33.737 30.860 10.060 1.0 38.19 ? 492 HOH J O 1 492 . B HETATM 1597 O O . HOH J 3 . ? 22.960 10.286 19.314 1.0 35.97 ? 493 HOH J O 1 493 . B HETATM 1598 O O . HOH J 3 . ? 13.331 10.772 15.926 1.0 29.61 ? 494 HOH J O 1 494 . B HETATM 1599 O O . HOH J 3 . ? 12.672 4.590 9.412 1.0 40.01 ? 495 HOH J O 1 495 . B HETATM 1600 O O . HOH J 3 . ? 13.476 1.261 8.261 1.0 45.03 ? 496 HOH J O 1 496 . B HETATM 1601 O O . HOH J 3 . ? 15.584 -0.476 10.763 1.0 33.14 ? 497 HOH J O 1 497 . B HETATM 1602 O O . HOH J 3 . ? 13.525 11.596 -12.958 1.0 46.71 ? 498 HOH J O 1 498 . B HETATM 1603 O O . HOH J 3 . ? 11.089 27.323 -8.709 1.0 49.71 ? 499 HOH J O 1 499 . B HETATM 1604 O O . HOH J 3 . ? 22.626 28.420 -13.906 1.0 45.22 ? 500 HOH J O 1 500 . B HETATM 1605 O O . HOH J 3 . ? 37.157 1.955 17.013 1.0 45.76 ? 501 HOH J O 1 501 . B HETATM 1606 O O . HOH J 3 . ? 12.817 21.188 16.717 1.0 24.53 ? 502 HOH J O 1 502 . B HETATM 1607 O O . HOH J 3 . ? 41.068 10.329 13.954 1.0 66.16 ? 503 HOH J O 1 503 . B HETATM 1608 O O . HOH J 3 . ? 43.011 20.192 13.132 1.0 62.57 ? 505 HOH J O 1 505 . B HETATM 1609 O O . HOH J 3 . ? 41.066 23.704 4.781 1.0 30.5 ? 506 HOH J O 1 506 . B HETATM 1610 O O . HOH J 3 . ? 25.792 -2.178 11.745 1.0 31.59 ? 507 HOH J O 1 507 . B HETATM 1611 O O . HOH J 3 . ? 16.364 30.128 -14.009 1.0 59.07 ? 508 HOH J O 1 508 . B HETATM 1612 O O . HOH J 3 . ? 20.596 16.117 -17.702 1.0 50.32 ? 509 HOH J O 1 509 . B HETATM 1613 O O . HOH J 3 . ? 34.436 16.272 -7.115 1.0 24.54 ? 510 HOH J O 1 510 . B HETATM 1614 O O . HOH J 3 . ? 26.242 4.081 26.899 1.0 30.38 ? 511 HOH J O 1 511 . B HETATM 1615 O O . HOH J 3 . ? 11.835 27.685 -5.225 1.0 36.0 ? 512 HOH J O 1 512 . B HETATM 1616 O O . HOH J 3 . ? 23.525 -1.420 16.037 1.0 54.81 ? 513 HOH J O 1 513 . B HETATM 1617 O O . HOH J 3 . ? 21.575 0.264 12.133 1.0 29.9 ? 514 HOH J O 1 514 . B HETATM 1618 O O . HOH J 3 . ? 15.106 26.911 6.903 1.0 28.33 ? 515 HOH J O 1 515 . B HETATM 1619 O O . HOH J 3 . ? 8.783 21.798 -5.059 1.0 36.05 ? 516 HOH J O 1 516 . B HETATM 1620 O O . HOH J 3 . ? 14.409 27.078 -4.795 1.0 26.51 ? 517 HOH J O 1 517 . B HETATM 1621 O O . HOH J 3 . ? 22.278 32.501 13.796 1.0 37.4 ? 518 HOH J O 1 518 . B HETATM 1622 O O . HOH J 3 . ? 21.065 29.101 16.249 1.0 30.56 ? 519 HOH J O 1 519 . B HETATM 1623 O O . HOH J 3 . ? 21.320 13.158 22.655 1.0 37.24 ? 520 HOH J O 1 520 . B HETATM 1624 O O . HOH J 3 . ? 27.456 1.878 26.472 1.0 32.13 ? 521 HOH J O 1 521 . B HETATM 1625 O O . HOH J 3 . ? 34.287 -3.439 12.671 1.0 44.0 ? 522 HOH J O 1 522 . B HETATM 1626 O O . HOH J 3 . ? 37.795 4.436 12.087 1.0 57.97 ? 523 HOH J O 1 523 . B HETATM 1627 O O . HOH J 3 . ? 37.065 7.785 9.942 1.0 44.39 ? 524 HOH J O 1 524 . B HETATM 1628 O O . HOH J 3 . ? 28.791 -1.470 11.815 1.0 56.95 ? 525 HOH J O 1 525 . B HETATM 1629 O O . HOH J 3 . ? 34.621 0.916 3.247 1.0 35.62 ? 526 HOH J O 1 526 . B HETATM 1630 O O . HOH J 3 . ? 35.219 2.836 5.106 1.0 35.05 ? 527 HOH J O 1 527 . B HETATM 1631 O O . HOH J 3 . ? 30.617 0.598 3.017 1.0 23.75 ? 528 HOH J O 1 528 . B HETATM 1632 O O . HOH J 3 . ? 30.114 1.472 0.374 1.0 28.82 ? 529 HOH J O 1 529 . B HETATM 1633 O O . HOH J 3 . ? 33.581 8.677 0.145 1.0 38.2 ? 530 HOH J O 1 530 . B HETATM 1634 O O . HOH J 3 . ? 30.924 8.235 -3.115 1.0 32.83 ? 531 HOH J O 1 531 . B HETATM 1635 O O . HOH J 3 . ? 34.422 7.516 2.839 1.0 38.68 ? 532 HOH J O 1 532 . B HETATM 1636 O O . HOH J 3 . ? 24.663 0.975 -6.006 1.0 41.76 ? 533 HOH J O 1 533 . B HETATM 1637 O O . HOH J 3 . ? 22.351 -0.003 -6.951 1.0 34.75 ? 534 HOH J O 1 534 . B HETATM 1638 O O . HOH J 3 . ? 29.334 12.367 -8.763 1.0 29.08 ? 535 HOH J O 1 535 . B HETATM 1639 O O . HOH J 3 . ? 31.962 8.710 -7.398 1.0 42.97 ? 536 HOH J O 1 536 . B HETATM 1640 O O . HOH J 3 . ? 29.611 9.697 -8.986 1.0 44.03 ? 537 HOH J O 1 537 . B HETATM 1641 O O . HOH J 3 . ? 31.249 12.822 -6.415 1.0 24.59 ? 538 HOH J O 1 538 . B HETATM 1642 O O . HOH J 3 . ? 35.356 11.939 -6.379 1.0 33.95 ? 539 HOH J O 1 539 . B HETATM 1643 O O . HOH J 3 . ? 36.703 9.081 2.451 1.0 42.38 ? 540 HOH J O 1 540 . B HETATM 1644 O O . HOH J 3 . ? 37.316 19.452 17.084 1.0 32.6 ? 541 HOH J O 1 541 . B HETATM 1645 O O . HOH J 3 . ? 40.152 10.379 27.364 1.0 50.2 ? 542 HOH J O 1 542 . B HETATM 1646 O O . HOH J 3 . ? 37.331 11.992 19.252 1.0 59.17 ? 543 HOH J O 1 543 . B HETATM 1647 O O . HOH J 3 . ? 33.196 21.934 22.178 1.0 33.26 ? 544 HOH J O 1 544 . B HETATM 1648 O O . HOH J 3 . ? 35.481 20.081 24.206 1.0 59.91 ? 545 HOH J O 1 545 . B HETATM 1649 O O . HOH J 3 . ? 27.431 24.440 22.093 1.0 40.98 ? 546 HOH J O 1 546 . B HETATM 1650 O O . HOH J 3 . ? 17.971 15.460 24.771 1.0 53.36 ? 547 HOH J O 1 547 . B HETATM 1651 O O . HOH J 3 . ? 13.700 20.421 24.756 1.0 21.35 ? 548 HOH J O 1 548 . B HETATM 1652 O O . HOH J 3 . ? 17.255 23.641 25.176 1.0 32.55 ? 549 HOH J O 1 549 . B HETATM 1653 O O . HOH J 3 . ? 13.438 17.661 12.811 1.0 27.29 ? 550 HOH J O 1 550 . B HETATM 1654 O O . HOH J 3 . ? 14.231 20.793 27.315 1.0 28.6 ? 551 HOH J O 1 551 . B HETATM 1655 O O . HOH J 3 . ? 34.957 26.232 -1.944 1.0 29.37 ? 552 HOH J O 1 552 . B HETATM 1656 O O . HOH J 3 . ? 30.544 27.418 4.433 1.0 29.03 ? 553 HOH J O 1 553 . B HETATM 1657 O O . HOH J 3 . ? 9.187 13.063 8.489 1.0 38.62 ? 554 HOH J O 1 554 . B HETATM 1658 O O . HOH J 3 . ? 14.316 20.247 7.089 1.0 20.1 ? 555 HOH J O 1 555 . B HETATM 1659 O O . HOH J 3 . ? 13.694 22.587 5.875 1.0 33.88 ? 556 HOH J O 1 556 . B HETATM 1660 O O . HOH J 3 . ? 21.798 -1.041 4.127 1.0 19.34 ? 557 HOH J O 1 557 . B HETATM 1661 O O . HOH J 3 . ? 16.116 16.868 25.537 1.0 55.35 ? 558 HOH J O 1 558 . B HETATM 1662 O O . HOH J 3 . ? 14.618 -2.286 4.761 1.0 51.03 ? 559 HOH J O 1 559 . B HETATM 1663 O O . HOH J 3 . ? 12.190 12.877 4.955 1.0 45.8 ? 560 HOH J O 1 560 . B HETATM 1664 O O . HOH J 3 . ? 13.529 -1.275 1.142 1.0 45.76 ? 561 HOH J O 1 561 . B HETATM 1665 O O . HOH J 3 . ? 15.131 2.955 -5.000 1.0 39.49 ? 562 HOH J O 1 562 . B HETATM 1666 O O . HOH J 3 . ? -0.612 18.128 -5.145 1.0 57.81 ? 563 HOH J O 1 563 . B HETATM 1667 O O . HOH J 3 . ? 0.253 25.806 -1.818 1.0 53.67 ? 564 HOH J O 1 564 . B HETATM 1668 O O . HOH J 3 . ? 9.055 26.100 -1.746 1.0 43.38 ? 565 HOH J O 1 565 . B HETATM 1669 O O . HOH J 3 . ? 7.729 14.324 -11.346 1.0 47.01 ? 567 HOH J O 1 567 . B HETATM 1670 O O . HOH J 3 . ? 13.841 7.271 4.037 1.0 37.74 ? 568 HOH J O 1 568 . B HETATM 1671 O O . HOH J 3 . ? 11.176 9.410 0.061 1.0 38.93 ? 569 HOH J O 1 569 . B HETATM 1672 O O . HOH J 3 . ? 12.700 14.556 6.713 1.0 50.47 ? 570 HOH J O 1 570 . B HETATM 1673 O O . HOH J 3 . ? 11.729 14.356 9.050 1.0 36.41 ? 571 HOH J O 1 571 . B HETATM 1674 O O . HOH J 3 . ? 9.319 17.498 9.065 1.0 54.04 ? 572 HOH J O 1 572 . B HETATM 1675 O O . HOH J 3 . ? 4.645 21.552 6.182 1.0 61.3 ? 573 HOH J O 1 573 . B HETATM 1676 O O . HOH J 3 . ? 3.067 9.948 8.146 1.0 53.33 ? 574 HOH J O 1 574 . B HETATM 1677 O O . HOH J 3 . ? 22.614 34.273 -10.969 1.0 31.81 ? 575 HOH J O 1 575 . B HETATM 1678 O O . HOH J 3 . ? 24.790 29.278 -9.353 1.0 25.41 ? 576 HOH J O 1 576 . B HETATM 1679 O O . HOH J 3 . ? 13.512 27.303 -1.355 1.0 38.97 ? 577 HOH J O 1 577 . B HETATM 1680 O O . HOH J 3 . ? 12.397 34.080 -9.215 1.0 47.63 ? 578 HOH J O 1 578 . B HETATM 1681 O O . HOH J 3 . ? 12.099 27.455 -16.604 1.0 62.51 ? 579 HOH J O 1 579 . B HETATM 1682 O O . HOH J 3 . ? 25.927 27.899 -7.372 1.0 31.26 ? 580 HOH J O 1 580 . B HETATM 1683 O O . HOH J 3 . ? 21.004 36.457 -5.192 1.0 17.92 ? 581 HOH J O 1 581 . B HETATM 1684 O O . HOH J 3 . ? 27.137 31.097 -10.995 1.0 36.07 ? 582 HOH J O 1 582 . B HETATM 1685 O O . HOH J 3 . ? 30.475 30.799 -0.526 1.0 30.29 ? 583 HOH J O 1 583 . B HETATM 1686 O O . HOH J 3 . ? 36.698 24.387 -9.604 1.0 32.53 ? 584 HOH J O 1 584 . B HETATM 1687 O O . HOH J 3 . ? 31.154 24.494 -12.860 1.0 34.53 ? 585 HOH J O 1 585 . B HETATM 1688 O O . HOH J 3 . ? 40.651 16.773 -2.312 1.0 37.64 ? 586 HOH J O 1 586 . B HETATM 1689 O O . HOH J 3 . ? 14.917 24.327 24.367 1.0 24.28 ? 587 HOH J O 1 587 . B HETATM 1690 O O . HOH J 3 . ? 17.444 9.242 22.136 1.0 34.15 ? 588 HOH J O 1 588 . B HETATM 1691 O O . HOH J 3 . ? 46.648 22.091 19.213 1.0 61.54 ? 589 HOH J O 1 589 . B HETATM 1692 O O . HOH J 3 . ? 18.164 9.830 -13.635 1.0 60.65 ? 590 HOH J O 1 590 . B HETATM 1693 O O . HOH J 3 . ? 27.726 9.702 -11.644 1.0 57.18 ? 591 HOH J O 1 591 . B HETATM 1694 O O . HOH J 3 . ? 19.597 8.961 -9.965 1.0 46.08 ? 592 HOH J O 1 592 . B HETATM 1695 O O . HOH J 3 . ? 43.791 22.974 10.390 1.0 52.88 ? 593 HOH J O 1 593 . B HETATM 1696 O O . HOH J 3 . ? 37.314 14.565 -0.404 1.0 53.93 ? 594 HOH J O 1 594 . B HETATM 1697 O O . HOH J 3 . ? 42.695 15.022 8.242 1.0 48.71 ? 595 HOH J O 1 595 . B HETATM 1698 O O . HOH J 3 . ? 29.218 21.944 -16.384 1.0 40.57 ? 596 HOH J O 1 596 . B HETATM 1699 O O . HOH J 3 . ? 28.657 27.216 -14.033 1.0 44.41 ? 597 HOH J O 1 597 . B HETATM 1700 O O . HOH J 3 . ? 13.821 30.298 -11.978 1.0 66.75 ? 598 HOH J O 1 598 . B HETATM 1701 O O . HOH J 3 . ? 27.518 33.484 10.247 1.0 33.39 ? 599 HOH J O 1 599 . B HETATM 1702 O O . HOH J 3 . ? 25.426 23.066 22.719 1.0 31.13 ? 600 HOH J O 1 600 . B HETATM 1703 O O . HOH J 3 . ? 32.187 31.059 20.068 1.0 47.83 ? 601 HOH J O 1 601 . B HETATM 1704 O O . HOH J 3 . ? 18.903 26.861 29.319 1.0 45.32 ? 602 HOH J O 1 602 . B HETATM 1705 O O . HOH J 3 . ? -1.811 25.236 -5.654 1.0 63.99 ? 603 HOH J O 1 603 . B HETATM 1706 O O . HOH J 3 . ? 36.967 9.960 11.436 1.0 42.29 ? 604 HOH J O 1 604 . B HETATM 1707 O O . HOH J 3 . ? 13.434 7.361 14.206 1.0 33.19 ? 605 HOH J O 1 605 . B HETATM 1708 O O . HOH J 3 . ? 17.784 25.811 14.182 1.0 36.79 ? 606 HOH J O 1 606 . B HETATM 1709 O O . HOH J 3 . ? 36.863 14.642 16.596 1.0 39.51 ? 607 HOH J O 1 607 . B HETATM 1710 O O . HOH J 3 . ? 38.123 14.413 10.428 1.0 50.46 ? 608 HOH J O 1 608 . B HETATM 1711 O O . HOH J 3 . ? 38.639 4.216 17.904 1.0 64.54 ? 609 HOH J O 1 609 . B HETATM 1712 O O . HOH J 3 . ? 32.827 -0.815 2.608 1.0 42.52 ? 610 HOH J O 1 610 . B HETATM 1713 O O . HOH J 3 . ? 23.802 31.659 17.762 1.0 47.78 ? 611 HOH J O 1 611 . B HETATM 1714 O O . HOH J 3 . ? 34.007 7.293 -8.624 1.0 50.16 ? 612 HOH J O 1 612 . B HETATM 1715 O O . HOH J 3 . ? 22.770 8.388 -10.669 1.0 49.21 ? 613 HOH J O 1 613 . B HETATM 1716 O O . HOH J 3 . ? 22.568 9.145 -13.477 1.0 58.59 ? 614 HOH J O 1 614 . B HETATM 1717 O O . HOH J 3 . ? 16.808 21.173 27.800 1.0 41.51 ? 615 HOH J O 1 615 . B HETATM 1718 O O . HOH J 3 . ? 29.040 -0.344 9.106 1.0 34.87 ? 616 HOH J O 1 616 . B HETATM 1719 O O . HOH J 3 . ? 15.739 -2.937 7.018 1.0 59.24 ? 617 HOH J O 1 617 . B HETATM 1720 O O . HOH J 3 . ? 27.515 0.003 6.950 1.0 37.59 ? 618 HOH J O 1 618 . B HETATM 1721 O O . HOH J 3 . ? 3.485 0.836 -8.957 1.0 59.01 ? 619 HOH J O 1 619 . B HETATM 1722 O O . HOH J 3 . ? 12.972 24.596 18.958 1.0 28.86 ? 620 HOH J O 1 620 . B HETATM 1723 O O . HOH J 3 . ? 17.456 16.615 -17.792 1.0 62.44 ? 621 HOH J O 1 621 . B HETATM 1724 O O . HOH J 3 . ? 1.583 -3.093 -3.966 1.0 60.07 ? 622 HOH J O 1 622 . B HETATM 1725 O O . HOH J 3 . ? 17.397 -3.935 2.831 1.0 35.71 ? 623 HOH J O 1 623 . B HETATM 1726 O O . HOH J 3 . ? 19.454 -3.055 4.382 1.0 32.36 ? 624 HOH J O 1 624 . B HETATM 1727 O O . HOH J 3 . ? 13.829 9.888 -14.690 1.0 59.57 ? 625 HOH J O 1 625 . B HETATM 1728 O O . HOH J 3 . ? 12.651 11.352 1.531 1.0 45.75 ? 626 HOH J O 1 626 . B HETATM 1729 O O . HOH J 3 . ? 33.747 32.353 5.631 1.0 42.12 ? 627 HOH J O 1 627 . B HETATM 1730 O O . HOH J 3 . ? 36.486 23.230 0.697 1.0 36.95 ? 628 HOH J O 1 628 . B HETATM 1731 O O . HOH J 3 . ? 35.119 29.720 -8.965 1.0 52.49 ? 629 HOH J O 1 629 . B HETATM 1732 O O . HOH J 3 . ? 31.863 29.143 -12.036 1.0 49.54 ? 630 HOH J O 1 630 . B HETATM 1733 O O . HOH J 3 . ? 32.647 26.478 -11.621 1.0 41.97 ? 631 HOH J O 1 631 . B HETATM 1734 O O . HOH J 3 . ? 16.843 24.041 -15.326 1.0 40.82 ? 632 HOH J O 1 632 . B HETATM 1735 O O . HOH J 3 . ? 26.226 21.031 -18.839 1.0 49.98 ? 633 HOH J O 1 633 . B HETATM 1736 O O . HOH J 3 . ? 33.605 10.374 -5.241 1.0 39.16 ? 634 HOH J O 1 634 . B HETATM 1737 O O . HOH J 3 . ? 36.294 11.710 -1.879 1.0 45.52 ? 635 HOH J O 1 635 . B HETATM 1738 O O . HOH J 3 . ? 33.663 7.297 5.519 1.0 23.24 ? 636 HOH J O 1 636 . B HETATM 1739 O O . HOH J 3 . ? 28.606 10.656 27.615 1.0 42.68 ? 637 HOH J O 1 637 . B HETATM 1740 O O . HOH J 3 . ? 28.928 8.073 26.772 1.0 31.72 ? 638 HOH J O 1 638 . B HETATM 1741 O O . HOH J 3 . ? 12.365 14.262 -12.576 1.0 49.6 ? 639 HOH J O 1 639 . B HETATM 1742 O O . HOH J 3 . ? 30.074 13.740 -10.730 1.0 47.19 ? 640 HOH J O 1 640 . B HETATM 1743 O O . HOH J 3 . ? 24.012 32.106 21.080 1.0 68.43 ? 641 HOH J O 1 641 . B HETATM 1744 O O . HOH J 3 . ? 20.677 25.047 -15.924 1.0 43.99 ? 642 HOH J O 1 642 . B HETATM 1745 O O . HOH J 3 . ? 27.467 7.594 -8.360 1.0 42.13 ? 643 HOH J O 1 643 . B HETATM 1746 O O . HOH J 3 . ? 6.412 13.270 20.163 1.0 40.2 ? 644 HOH J O 1 644 . B HETATM 1747 O O . HOH J 3 . ? 6.895 17.157 -9.946 1.0 55.14 ? 645 HOH J O 1 645 . B HETATM 1748 O O . HOH J 3 . ? 11.670 15.290 -5.066 1.0 25.73 ? 646 HOH J O 1 646 . B HETATM 1749 O O . HOH J 3 . ? 17.052 2.250 14.397 1.0 51.46 ? 647 HOH J O 1 647 . B HETATM 1750 O O . HOH J 3 . ? 38.463 10.541 9.096 1.0 53.42 ? 648 HOH J O 1 648 . B HETATM 1751 O O . HOH J 3 . ? 38.120 27.120 16.900 1.0 43.69 ? 650 HOH J O 1 650 . B HETATM 1752 O O . HOH J 3 . ? 29.826 26.766 19.011 1.0 45.5 ? 651 HOH J O 1 651 . B HETATM 1753 O O . HOH J 3 . ? 19.293 25.362 25.232 1.0 40.84 ? 652 HOH J O 1 652 . B HETATM 1754 O O . HOH J 3 . ? 23.570 11.528 23.098 1.0 38.86 ? 653 HOH J O 1 653 . B HETATM 1755 O O . HOH J 3 . ? 26.813 16.677 26.082 1.0 44.92 ? 654 HOH J O 1 654 . B HETATM 1756 O O . HOH J 3 . ? 25.564 10.067 24.344 1.0 51.17 ? 655 HOH J O 1 655 . B HETATM 1757 O O . HOH J 3 . ? 13.578 1.872 11.338 1.0 49.84 ? 656 HOH J O 1 656 . B HETATM 1758 O O . HOH J 3 . ? 7.951 25.430 -10.122 1.0 57.93 ? 657 HOH J O 1 657 . B HETATM 1759 O O . HOH J 3 . ? 28.485 -10.635 19.610 1.0 66.22 ? 658 HOH J O 1 658 . B HETATM 1760 O O . HOH J 3 . ? 9.936 21.468 6.429 1.0 62.47 ? 659 HOH J O 1 659 . B HETATM 1761 O O . HOH J 3 . ? 30.271 31.544 2.530 1.0 41.94 ? 660 HOH J O 1 660 . B HETATM 1762 O O . HOH J 3 . ? 29.814 23.833 21.908 1.0 35.41 ? 661 HOH J O 1 661 . B HETATM 1763 O O . HOH J 3 . ? 33.907 27.027 20.532 1.0 50.5 ? 662 HOH J O 1 662 . B HETATM 1764 O O . HOH J 3 . ? 26.683 31.788 15.250 1.0 47.99 ? 663 HOH J O 1 663 . B HETATM 1765 O O . HOH J 3 . ? 26.298 -2.827 14.286 1.0 52.21 ? 664 HOH J O 1 664 . B HETATM 1766 O O . HOH J 3 . ? 37.514 -0.060 8.451 1.0 55.71 ? 665 HOH J O 1 665 . B HETATM 1767 O O . HOH J 3 . ? 34.113 31.980 -7.229 1.0 51.66 ? 666 HOH J O 1 666 . B HETATM 1768 O O . HOH J 3 . ? 37.759 25.586 -2.095 1.0 53.69 ? 667 HOH J O 1 667 . B HETATM 1769 O O . HOH J 3 . ? 36.802 20.275 0.733 1.0 45.15 ? 668 HOH J O 1 668 . B HETATM 1770 O O . HOH J 3 . ? 33.614 30.562 -2.310 1.0 43.97 ? 669 HOH J O 1 669 . B HETATM 1771 O O . HOH J 3 . ? 11.859 16.963 8.874 1.0 49.18 ? 670 HOH J O 1 670 . B HETATM 1772 O O . HOH J 3 . ? 5.659 15.173 12.513 1.0 46.31 ? 671 HOH J O 1 671 . B HETATM 1773 O O . HOH J 3 . ? 4.787 25.554 2.720 1.0 49.4 ? 672 HOH J O 1 672 . B HETATM 1774 O O . HOH J 3 . ? 24.907 14.352 -14.900 1.0 60.54 ? 673 HOH J O 1 673 . B HETATM 1775 O O . HOH J 3 . ? 26.523 16.359 -19.026 1.0 61.84 ? 674 HOH J O 1 674 . B HETATM 1776 O O . HOH J 3 . ? -4.158 30.451 -3.291 1.0 53.88 ? 675 HOH J O 1 675 . B HETATM 1777 O O . HOH J 3 . ? -6.273 14.781 -2.175 1.0 53.5 ? 676 HOH J O 1 676 . B HETATM 1778 O O . HOH J 3 . ? 9.659 9.752 8.857 1.0 46.4 ? 677 HOH J O 1 677 . B HETATM 1779 O O . HOH J 3 . ? 16.594 4.594 16.345 1.0 56.41 ? 678 HOH J O 1 678 . B HETATM 1780 O O . HOH J 3 . ? 23.721 18.076 -19.213 1.0 52.77 ? 679 HOH J O 1 679 . B HETATM 1781 O O . HOH J 3 . ? 37.219 20.913 19.301 1.0 42.74 ? 680 HOH J O 1 680 . B HETATM 1782 O O . HOH J 3 . ? 32.048 33.362 -8.865 1.0 28.87 ? 681 HOH J O 1 681 . B HETATM 1783 O O . HOH J 3 . ? 30.460 33.349 23.269 1.0 69.41 ? 682 HOH J O 1 682 . B HETATM 1784 O O . HOH J 3 . ? 33.180 30.060 23.386 1.0 64.16 ? 683 HOH J O 1 683 . B HETATM 1785 O O . HOH J 3 . ? 28.769 34.911 20.973 1.0 63.67 ? 684 HOH J O 1 684 . B HETATM 1786 O O . HOH J 3 . ? 31.716 6.970 -0.581 1.0 31.08 ? 685 HOH J O 1 685 . B HETATM 1787 O O . HOH J 3 . ? 9.370 10.079 -10.111 1.0 54.57 ? 686 HOH J O 1 686 . B HETATM 1788 O O . HOH J 3 . ? 10.079 22.980 3.287 1.0 50.8 ? 687 HOH J O 1 687 . B # _entry.id 4J4M # _cell.entry_id 4J4M _cell.length_a 62.92100000000001 _cell.length_b 57.092 _cell.length_c 58.641 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _pdbe_orig_cell.entry_id 4J4M _pdbe_orig_cell.length_a 80.766 _pdbe_orig_cell.length_b 80.766 _pdbe_orig_cell.length_c 120.451 _pdbe_orig_cell.angle_alpha 90.00 _pdbe_orig_cell.angle_beta 90.00 _pdbe_orig_cell.angle_gamma 120.00 _pdbe_orig_cell.Z_PDB 12 _pdbe_orig_cell.pdbx_unique_axis ? _pdbe_orig_cell.length_a_esd ? _pdbe_orig_cell.length_b_esd ? _pdbe_orig_cell.length_c_esd ? _pdbe_orig_cell.angle_alpha_esd ? _pdbe_orig_cell.angle_beta_esd ? _pdbe_orig_cell.angle_gamma_esd ? # _symmetry.entry_id 4J4M _symmetry.space_group_name_H-M "P 1" _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number ? # _pdbe_orig_symmetry.entry_id 4J4M _pdbe_orig_symmetry.space_group_name_H-M "P 61" _pdbe_orig_symmetry.pdbx_full_space_group_name_H-M ? _pdbe_orig_symmetry.cell_setting ? _pdbe_orig_symmetry.Int_Tables_number 169 _pdbe_orig_symmetry.space_group_name_Hall ? # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name "Taiwan habu" _entity_src_nat.pdbx_organism_scientific "Protobothrops mucrosquamatus" _entity_src_nat.pdbx_ncbi_taxonomy_id 103944 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _exptl.entry_id 4J4M _exptl.method "X-ray diffraction" _exptl.crystals_number 1 # _reflns.entry_id 4J4M _reflns.observed_criterion_sigma_I 3.0 _reflns.observed_criterion_sigma_F 3.0 _reflns.d_resolution_low 40 _reflns.d_resolution_high 1.8 _reflns.number_obs 41233 _reflns.number_all 41274 _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.069 _reflns.pdbx_Rsym_value 0.069 _reflns.pdbx_netI_over_sigmaI 33.4 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.1 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.entry_id 4J4M _refine.ls_number_reflns_obs 39461 _refine.ls_number_reflns_all 39461 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 40.0 _refine.ls_d_res_high 1.8 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.188 _refine.ls_R_factor_all 0.195 _refine.ls_R_factor_R_work 0.184 _refine.ls_R_factor_R_free 0.207 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free 1979 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _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.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 1KUF _refine.pdbx_method_to_determine_struct "MOLECULAR REPLACEMENT" _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values "Engh & Huber" _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id "X-ray diffraction" _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id "X-ray diffraction" _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2980 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 6 _refine_hist.number_atoms_solvent 527 _refine_hist.number_atoms_total 3513 _refine_hist.d_res_high 1.8 _refine_hist.d_res_low 40.0 # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,I 2 1 B,G,H,J # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type "identity operation" _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 3 ? J N N 3 ? # _struct.entry_id 4J4M _struct.title "Crystal structure of TM-1, a Trimeresurus mucrosquamatus venom metalloproteinase" _struct.pdbx_descriptor "zinc-dependent metalloproteinase (E.C.3.4.24.53)" _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _atom_sites.entry_id 4J4M _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _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] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _pdbe_orig_poly_seq_scheme.asym_id _pdbe_orig_poly_seq_scheme.entity_id _pdbe_orig_poly_seq_scheme.seq_id _pdbe_orig_poly_seq_scheme.mon_id _pdbe_orig_poly_seq_scheme.ndb_seq_num _pdbe_orig_poly_seq_scheme.pdb_seq_num _pdbe_orig_poly_seq_scheme.auth_seq_num _pdbe_orig_poly_seq_scheme.pdb_mon_id _pdbe_orig_poly_seq_scheme.auth_mon_id _pdbe_orig_poly_seq_scheme.pdb_strand_id _pdbe_orig_poly_seq_scheme.pdb_ins_code _pdbe_orig_poly_seq_scheme.hetero A 1 1 GLN 1 2 ? ? ? A . n A 1 2 GLN 2 3 ? ? ? A . n A 1 3 ARG 3 4 4 ARG ARG A . n A 1 4 PHE 4 5 5 PHE PHE A . n A 1 5 PRO 5 6 6 PRO PRO A . n A 1 6 GLN 6 7 7 GLN GLN A . n A 1 7 ARG 7 8 8 ARG ARG A . n A 1 8 TYR 8 9 9 TYR TYR A . n A 1 9 VAL 9 10 10 VAL VAL A . n A 1 10 MET 10 11 11 MET MET A . n A 1 11 LEU 11 12 12 LEU LEU A . n A 1 12 ALA 12 13 13 ALA ALA A . n A 1 13 ILE 13 14 14 ILE ILE A . n A 1 14 VAL 14 15 15 VAL VAL A . n A 1 15 ALA 15 16 16 ALA ALA A . n A 1 16 ASP 16 17 17 ASP ASP A . n A 1 17 HIS 17 18 18 HIS HIS A . n A 1 18 GLY 18 19 19 GLY GLY A . n A 1 19 MET 19 20 20 MET MET A . n A 1 20 VAL 20 21 21 VAL VAL A . n A 1 21 THR 21 22 22 THR THR A . n A 1 22 LYS 22 23 23 LYS LYS A . n A 1 23 TYR 23 24 24 TYR TYR A . n A 1 24 SER 24 25 25 SER SER A . n A 1 25 GLY 25 26 26 GLY GLY A . n A 1 26 ASN 26 27 27 ASN ASN A . n A 1 27 SER 27 28 28 SER SER A . n A 1 28 SER 28 29 29 SER SER A . n A 1 29 ALA 29 30 30 ALA ALA A . n A 1 30 ILE 30 31 31 ILE ILE A . n A 1 31 THR 31 32 32 THR THR A . n A 1 32 THR 32 33 33 THR THR A . n A 1 33 ARG 33 34 34 ARG ARG A . n A 1 34 VAL 34 35 35 VAL VAL A . n A 1 35 HIS 35 36 36 HIS HIS A . n A 1 36 GLN 36 37 37 GLN GLN A . n A 1 37 MET 37 38 38 MET MET A . n A 1 38 VAL 38 39 39 VAL VAL A . n A 1 39 SER 39 40 40 SER SER A . n A 1 40 HIS 40 41 41 HIS HIS A . n A 1 41 VAL 41 42 42 VAL VAL A . n A 1 42 THR 42 43 43 THR THR A . n A 1 43 GLU 43 44 44 GLU GLU A . n A 1 44 MET 44 45 45 MET MET A . n A 1 45 TYR 45 46 46 TYR TYR A . n A 1 46 SER 46 47 47 SER SER A . n A 1 47 PRO 47 48 48 PRO PRO A . n A 1 48 LEU 48 49 49 LEU LEU A . n A 1 49 ASN 49 50 50 ASN ASN A . n A 1 50 ILE 50 51 51 ILE ILE A . n A 1 51 ALA 51 52 52 ALA ALA A . n A 1 52 THR 52 53 53 THR THR A . n A 1 53 THR 53 54 54 THR THR A . n A 1 54 LEU 54 55 55 LEU LEU A . n A 1 55 SER 55 56 56 SER SER A . n A 1 56 LEU 56 57 57 LEU LEU A . n A 1 57 LEU 57 58 58 LEU LEU A . n A 1 58 ARG 58 59 59 ARG ARG A . n A 1 59 ILE 59 60 60 ILE ILE A . n A 1 60 TRP 60 61 61 TRP TRP A . n A 1 61 SER 61 62 62 SER SER A . n A 1 62 SER 62 63 63 SER SER A . n A 1 63 LYS 63 64 64 LYS LYS A . n A 1 64 ASP 64 65 65 ASP ASP A . n A 1 65 LEU 65 66 66 LEU LEU A . n A 1 66 ILE 66 67 67 ILE ILE A . n A 1 67 THR 67 68 68 THR THR A . n A 1 68 VAL 68 69 69 VAL VAL A . n A 1 69 GLN 69 70 70 GLN GLN A . n A 1 70 SER 70 71 71 SER SER A . n A 1 71 ASP 71 72 72 ASP ASP A . n A 1 72 SER 72 73 73 SER SER A . n A 1 73 SER 73 74 74 SER SER A . n A 1 74 VAL 74 75 75 VAL VAL A . n A 1 75 THR 75 76 76 THR THR A . n A 1 76 LEU 76 77 77 LEU LEU A . n A 1 77 GLY 77 78 78 GLY GLY A . n A 1 78 SER 78 79 79 SER SER A . n A 1 79 PHE 79 80 80 PHE PHE A . n A 1 80 GLY 80 81 81 GLY GLY A . n A 1 81 ASP 81 82 82 ASP ASP A . n A 1 82 TRP 82 83 83 TRP TRP A . n A 1 83 ARG 83 84 84 ARG ARG A . n A 1 84 LYS 84 85 85 LYS LYS A . n A 1 85 VAL 85 86 86 VAL VAL A . n A 1 86 VAL 86 87 87 VAL VAL A . n A 1 87 LEU 87 88 88 LEU LEU A . n A 1 88 LEU 88 89 89 LEU LEU A . n A 1 89 SER 89 90 90 SER SER A . n A 1 90 GLN 90 91 91 GLN GLN A . n A 1 91 GLN 91 92 92 GLN GLN A . n A 1 92 ALA 92 93 93 ALA ALA A . n A 1 93 HIS 93 94 94 HIS HIS A . n A 1 94 ASP 94 95 95 ASP ASP A . n A 1 95 CYS 95 96 96 CYS CYS A . n A 1 96 ALA 96 97 97 ALA ALA A . n A 1 97 PHE 97 98 98 PHE PHE A . n A 1 98 LEU 98 99 99 LEU LEU A . n A 1 99 ASN 99 100 100 ASN ASN A . n A 1 100 THR 100 101 101 THR THR A . n A 1 101 ALA 101 102 102 ALA ALA A . n A 1 102 THR 102 103 103 THR THR A . n A 1 103 ALA 103 104 104 ALA ALA A . n A 1 104 LEU 104 105 105 LEU LEU A . n A 1 105 ASP 105 106 106 ASP ASP A . n A 1 106 ASP 106 107 107 ASP ASP A . n A 1 107 SER 107 108 108 SER SER A . n A 1 108 THR 108 109 109 THR THR A . n A 1 109 ILE 109 110 110 ILE ILE A . n A 1 110 GLY 110 111 111 GLY GLY A . n A 1 111 LEU 111 112 112 LEU LEU A . n A 1 112 ALA 112 113 113 ALA ALA A . n A 1 113 TYR 113 114 114 TYR TYR A . n A 1 114 SER 114 115 115 SER SER A . n A 1 115 ASN 115 116 116 ASN ASN A . n A 1 116 GLY 116 117 117 GLY GLY A . n A 1 117 MET 117 118 118 MET MET A . n A 1 118 CYS 118 119 119 CYS CYS A . n A 1 119 ASP 119 120 120 ASP ASP A . n A 1 120 PRO 120 121 121 PRO PRO A . n A 1 121 LYS 121 122 122 LYS LYS A . n A 1 122 PHE 122 123 123 PHE PHE A . n A 1 123 SER 123 124 124 SER SER A . n A 1 124 VAL 124 125 125 VAL VAL A . n A 1 125 GLY 125 126 126 GLY GLY A . n A 1 126 LEU 126 127 127 LEU LEU A . n A 1 127 VAL 127 128 128 VAL VAL A . n A 1 128 GLN 128 129 129 GLN GLN A . n A 1 129 ASP 129 130 130 ASP ASP A . n A 1 130 HIS 130 131 131 HIS HIS A . n A 1 131 SER 131 132 132 SER SER A . n A 1 132 SER 132 133 133 SER SER A . n A 1 133 ASN 133 134 134 ASN ASN A . n A 1 134 VAL 134 135 135 VAL VAL A . n A 1 135 PHE 135 136 136 PHE PHE A . n A 1 136 MET 136 137 137 MET MET A . n A 1 137 VAL 137 138 138 VAL VAL A . n A 1 138 ALA 138 139 139 ALA ALA A . n A 1 139 VAL 139 140 140 VAL VAL A . n A 1 140 THR 140 141 141 THR THR A . n A 1 141 MET 141 142 142 MET MET A . n A 1 142 THR 142 143 143 THR THR A . n A 1 143 HIS 143 144 144 HIS HIS A . n A 1 144 GLU 144 145 145 GLU GLU A . n A 1 145 LEU 145 146 146 LEU LEU A . n A 1 146 GLY 146 147 147 GLY GLY A . n A 1 147 HIS 147 148 148 HIS HIS A . n A 1 148 ASN 148 149 149 ASN ASN A . n A 1 149 LEU 149 150 150 LEU LEU A . n A 1 150 GLY 150 151 151 GLY GLY A . n A 1 151 MET 151 152 152 MET MET A . n A 1 152 ALA 152 153 153 ALA ALA A . n A 1 153 HIS 153 154 154 HIS HIS A . n A 1 154 ASP 154 155 155 ASP ASP A . n A 1 155 GLU 155 156 156 GLU GLU A . n A 1 156 ALA 156 157 ? ? ? A . n A 1 157 GLY 157 158 ? ? ? A . n A 1 158 GLY 158 159 ? ? ? A . n A 1 159 CYS 159 160 ? ? ? A . n A 1 160 ALA 160 161 ? ? ? A . n A 1 161 CYS 161 162 162 CYS CYS A . n A 1 162 SER 162 163 163 SER SER A . n A 1 163 SER 163 164 164 SER SER A . n A 1 164 CYS 164 165 165 CYS CYS A . n A 1 165 ILE 165 166 166 ILE ILE A . n A 1 166 MET 166 167 167 MET MET A . n A 1 167 SER 167 168 168 SER SER A . n A 1 168 PRO 168 169 169 PRO PRO A . n A 1 169 ALA 169 170 170 ALA ALA A . n A 1 170 ALA 170 171 171 ALA ALA A . n A 1 171 SER 171 172 172 SER SER A . n A 1 172 SER 172 173 173 SER SER A . n A 1 173 GLY 173 174 174 GLY GLY A . n A 1 174 PRO 174 175 175 PRO PRO A . n A 1 175 SER 175 176 176 SER SER A . n A 1 176 LYS 176 177 177 LYS LYS A . n A 1 177 LEU 177 178 178 LEU LEU A . n A 1 178 PHE 178 179 179 PHE PHE A . n A 1 179 SER 179 180 180 SER SER A . n A 1 180 ASP 180 181 181 ASP ASP A . n A 1 181 CYS 181 182 182 CYS CYS A . n A 1 182 SER 182 183 183 SER SER A . n A 1 183 LYS 183 184 184 LYS LYS A . n A 1 184 ASP 184 185 185 ASP ASP A . n A 1 185 ASP 185 186 186 ASP ASP A . n A 1 186 TYR 186 187 187 TYR TYR A . n A 1 187 GLN 187 188 188 GLN GLN A . n A 1 188 THR 188 189 189 THR THR A . n A 1 189 PHE 189 190 190 PHE PHE A . n A 1 190 LEU 190 191 191 LEU LEU A . n A 1 191 THR 191 192 192 THR THR A . n A 1 192 ASN 192 193 193 ASN ASN A . n A 1 193 THR 193 194 194 THR THR A . n A 1 194 ASN 194 195 195 ASN ASN A . n A 1 195 PRO 195 196 196 PRO PRO A . n A 1 196 GLN 196 197 197 GLN GLN A . n A 1 197 CYS 197 198 198 CYS CYS A . n A 1 198 ILE 198 199 199 ILE ILE A . n A 1 199 LEU 199 200 200 LEU LEU A . n A 1 200 ASN 200 201 201 ASN ASN A . n A 1 201 ALA 201 202 202 ALA ALA A . n A 1 202 PRO 202 203 203 PRO PRO A . n B 1 1 GLN 1 2 ? ? ? B . n B 1 2 GLN 2 3 ? ? ? B . n B 1 3 ARG 3 4 4 ARG ARG B . n B 1 4 PHE 4 5 5 PHE PHE B . n B 1 5 PRO 5 6 6 PRO PRO B . n B 1 6 GLN 6 7 7 GLN GLN B . n B 1 7 ARG 7 8 8 ARG ARG B . n B 1 8 TYR 8 9 9 TYR TYR B . n B 1 9 VAL 9 10 10 VAL VAL B . n B 1 10 MET 10 11 11 MET MET B . n B 1 11 LEU 11 12 12 LEU LEU B . n B 1 12 ALA 12 13 13 ALA ALA B . n B 1 13 ILE 13 14 14 ILE ILE B . n B 1 14 VAL 14 15 15 VAL VAL B . n B 1 15 ALA 15 16 16 ALA ALA B . n B 1 16 ASP 16 17 17 ASP ASP B . n B 1 17 HIS 17 18 18 HIS HIS B . n B 1 18 GLY 18 19 19 GLY GLY B . n B 1 19 MET 19 20 20 MET MET B . n B 1 20 VAL 20 21 21 VAL VAL B . n B 1 21 THR 21 22 22 THR THR B . n B 1 22 LYS 22 23 23 LYS LYS B . n B 1 23 TYR 23 24 24 TYR TYR B . n B 1 24 SER 24 25 25 SER SER B . n B 1 25 GLY 25 26 26 GLY GLY B . n B 1 26 ASN 26 27 27 ASN ASN B . n B 1 27 SER 27 28 28 SER SER B . n B 1 28 SER 28 29 29 SER SER B . n B 1 29 ALA 29 30 30 ALA ALA B . n B 1 30 ILE 30 31 31 ILE ILE B . n B 1 31 THR 31 32 32 THR THR B . n B 1 32 THR 32 33 33 THR THR B . n B 1 33 ARG 33 34 34 ARG ARG B . n B 1 34 VAL 34 35 35 VAL VAL B . n B 1 35 HIS 35 36 36 HIS HIS B . n B 1 36 GLN 36 37 37 GLN GLN B . n B 1 37 MET 37 38 38 MET MET B . n B 1 38 VAL 38 39 39 VAL VAL B . n B 1 39 SER 39 40 40 SER SER B . n B 1 40 HIS 40 41 41 HIS HIS B . n B 1 41 VAL 41 42 42 VAL VAL B . n B 1 42 THR 42 43 43 THR THR B . n B 1 43 GLU 43 44 44 GLU GLU B . n B 1 44 MET 44 45 45 MET MET B . n B 1 45 TYR 45 46 46 TYR TYR B . n B 1 46 SER 46 47 47 SER SER B . n B 1 47 PRO 47 48 48 PRO PRO B . n B 1 48 LEU 48 49 49 LEU LEU B . n B 1 49 ASN 49 50 50 ASN ASN B . n B 1 50 ILE 50 51 51 ILE ILE B . n B 1 51 ALA 51 52 52 ALA ALA B . n B 1 52 THR 52 53 53 THR THR B . n B 1 53 THR 53 54 54 THR THR B . n B 1 54 LEU 54 55 55 LEU LEU B . n B 1 55 SER 55 56 56 SER SER B . n B 1 56 LEU 56 57 57 LEU LEU B . n B 1 57 LEU 57 58 58 LEU LEU B . n B 1 58 ARG 58 59 59 ARG ARG B . n B 1 59 ILE 59 60 60 ILE ILE B . n B 1 60 TRP 60 61 61 TRP TRP B . n B 1 61 SER 61 62 62 SER SER B . n B 1 62 SER 62 63 63 SER SER B . n B 1 63 LYS 63 64 64 LYS LYS B . n B 1 64 ASP 64 65 65 ASP ASP B . n B 1 65 LEU 65 66 66 LEU LEU B . n B 1 66 ILE 66 67 67 ILE ILE B . n B 1 67 THR 67 68 68 THR THR B . n B 1 68 VAL 68 69 69 VAL VAL B . n B 1 69 GLN 69 70 70 GLN GLN B . n B 1 70 SER 70 71 71 SER SER B . n B 1 71 ASP 71 72 72 ASP ASP B . n B 1 72 SER 72 73 73 SER SER B . n B 1 73 SER 73 74 74 SER SER B . n B 1 74 VAL 74 75 75 VAL VAL B . n B 1 75 THR 75 76 76 THR THR B . n B 1 76 LEU 76 77 77 LEU LEU B . n B 1 77 GLY 77 78 78 GLY GLY B . n B 1 78 SER 78 79 79 SER SER B . n B 1 79 PHE 79 80 80 PHE PHE B . n B 1 80 GLY 80 81 81 GLY GLY B . n B 1 81 ASP 81 82 82 ASP ASP B . n B 1 82 TRP 82 83 83 TRP TRP B . n B 1 83 ARG 83 84 84 ARG ARG B . n B 1 84 LYS 84 85 85 LYS LYS B . n B 1 85 VAL 85 86 86 VAL VAL B . n B 1 86 VAL 86 87 87 VAL VAL B . n B 1 87 LEU 87 88 88 LEU LEU B . n B 1 88 LEU 88 89 89 LEU LEU B . n B 1 89 SER 89 90 90 SER SER B . n B 1 90 GLN 90 91 91 GLN GLN B . n B 1 91 GLN 91 92 92 GLN GLN B . n B 1 92 ALA 92 93 93 ALA ALA B . n B 1 93 HIS 93 94 94 HIS HIS B . n B 1 94 ASP 94 95 95 ASP ASP B . n B 1 95 CYS 95 96 96 CYS CYS B . n B 1 96 ALA 96 97 97 ALA ALA B . n B 1 97 PHE 97 98 98 PHE PHE B . n B 1 98 LEU 98 99 99 LEU LEU B . n B 1 99 ASN 99 100 100 ASN ASN B . n B 1 100 THR 100 101 101 THR THR B . n B 1 101 ALA 101 102 102 ALA ALA B . n B 1 102 THR 102 103 103 THR THR B . n B 1 103 ALA 103 104 104 ALA ALA B . n B 1 104 LEU 104 105 105 LEU LEU B . n B 1 105 ASP 105 106 106 ASP ASP B . n B 1 106 ASP 106 107 107 ASP ASP B . n B 1 107 SER 107 108 108 SER SER B . n B 1 108 THR 108 109 109 THR THR B . n B 1 109 ILE 109 110 110 ILE ILE B . n B 1 110 GLY 110 111 111 GLY GLY B . n B 1 111 LEU 111 112 112 LEU LEU B . n B 1 112 ALA 112 113 113 ALA ALA B . n B 1 113 TYR 113 114 114 TYR TYR B . n B 1 114 SER 114 115 115 SER SER B . n B 1 115 ASN 115 116 116 ASN ASN B . n B 1 116 GLY 116 117 117 GLY GLY B . n B 1 117 MET 117 118 118 MET MET B . n B 1 118 CYS 118 119 119 CYS CYS B . n B 1 119 ASP 119 120 120 ASP ASP B . n B 1 120 PRO 120 121 121 PRO PRO B . n B 1 121 LYS 121 122 122 LYS LYS B . n B 1 122 PHE 122 123 123 PHE PHE B . n B 1 123 SER 123 124 124 SER SER B . n B 1 124 VAL 124 125 125 VAL VAL B . n B 1 125 GLY 125 126 126 GLY GLY B . n B 1 126 LEU 126 127 127 LEU LEU B . n B 1 127 VAL 127 128 128 VAL VAL B . n B 1 128 GLN 128 129 129 GLN GLN B . n B 1 129 ASP 129 130 130 ASP ASP B . n B 1 130 HIS 130 131 131 HIS HIS B . n B 1 131 SER 131 132 132 SER SER B . n B 1 132 SER 132 133 133 SER SER B . n B 1 133 ASN 133 134 134 ASN ASN B . n B 1 134 VAL 134 135 135 VAL VAL B . n B 1 135 PHE 135 136 136 PHE PHE B . n B 1 136 MET 136 137 137 MET MET B . n B 1 137 VAL 137 138 138 VAL VAL B . n B 1 138 ALA 138 139 139 ALA ALA B . n B 1 139 VAL 139 140 140 VAL VAL B . n B 1 140 THR 140 141 141 THR THR B . n B 1 141 MET 141 142 142 MET MET B . n B 1 142 THR 142 143 143 THR THR B . n B 1 143 HIS 143 144 144 HIS HIS B . n B 1 144 GLU 144 145 145 GLU GLU B . n B 1 145 LEU 145 146 146 LEU LEU B . n B 1 146 GLY 146 147 147 GLY GLY B . n B 1 147 HIS 147 148 148 HIS HIS B . n B 1 148 ASN 148 149 149 ASN ASN B . n B 1 149 LEU 149 150 150 LEU LEU B . n B 1 150 GLY 150 151 151 GLY GLY B . n B 1 151 MET 151 152 152 MET MET B . n B 1 152 ALA 152 153 153 ALA ALA B . n B 1 153 HIS 153 154 154 HIS HIS B . n B 1 154 ASP 154 155 155 ASP ASP B . n B 1 155 GLU 155 156 156 GLU GLU B . n B 1 156 ALA 156 157 157 ALA ALA B . n B 1 157 GLY 157 158 158 GLY GLY B . n B 1 158 GLY 158 159 159 GLY GLY B . n B 1 159 CYS 159 160 160 CYS CYS B . n B 1 160 ALA 160 161 161 ALA ALA B . n B 1 161 CYS 161 162 162 CYS CYS B . n B 1 162 SER 162 163 163 SER SER B . n B 1 163 SER 163 164 164 SER SER B . n B 1 164 CYS 164 165 165 CYS CYS B . n B 1 165 ILE 165 166 166 ILE ILE B . n B 1 166 MET 166 167 167 MET MET B . n B 1 167 SER 167 168 168 SER SER B . n B 1 168 PRO 168 169 169 PRO PRO B . n B 1 169 ALA 169 170 170 ALA ALA B . n B 1 170 ALA 170 171 171 ALA ALA B . n B 1 171 SER 171 172 172 SER SER B . n B 1 172 SER 172 173 173 SER SER B . n B 1 173 GLY 173 174 174 GLY GLY B . n B 1 174 PRO 174 175 175 PRO PRO B . n B 1 175 SER 175 176 176 SER SER B . n B 1 176 LYS 176 177 177 LYS LYS B . n B 1 177 LEU 177 178 178 LEU LEU B . n B 1 178 PHE 178 179 179 PHE PHE B . n B 1 179 SER 179 180 180 SER SER B . n B 1 180 ASP 180 181 181 ASP ASP B . n B 1 181 CYS 181 182 182 CYS CYS B . n B 1 182 SER 182 183 183 SER SER B . n B 1 183 LYS 183 184 184 LYS LYS B . n B 1 184 ASP 184 185 185 ASP ASP B . n B 1 185 ASP 185 186 186 ASP ASP B . n B 1 186 TYR 186 187 187 TYR TYR B . n B 1 187 GLN 187 188 188 GLN GLN B . n B 1 188 THR 188 189 189 THR THR B . n B 1 189 PHE 189 190 190 PHE PHE B . n B 1 190 LEU 190 191 191 LEU LEU B . n B 1 191 THR 191 192 192 THR THR B . n B 1 192 ASN 192 193 193 ASN ASN B . n B 1 193 THR 193 194 194 THR THR B . n B 1 194 ASN 194 195 195 ASN ASN B . n B 1 195 PRO 195 196 196 PRO PRO B . n B 1 196 GLN 196 197 197 GLN GLN B . n B 1 197 CYS 197 198 198 CYS CYS B . n B 1 198 ILE 198 199 199 ILE ILE B . n B 1 199 LEU 199 200 200 LEU LEU B . n B 1 200 ASN 200 201 201 ASN ASN B . n B 1 201 ALA 201 202 202 ALA ALA B . n B 1 202 PRO 202 203 203 PRO PRO B . n # loop_ _pdbe_orig_nonpoly_scheme.asym_id _pdbe_orig_nonpoly_scheme.entity_id _pdbe_orig_nonpoly_scheme.mon_id _pdbe_orig_nonpoly_scheme.ndb_seq_num _pdbe_orig_nonpoly_scheme.pdb_seq_num _pdbe_orig_nonpoly_scheme.auth_seq_num _pdbe_orig_nonpoly_scheme.pdb_mon_id _pdbe_orig_nonpoly_scheme.auth_mon_id _pdbe_orig_nonpoly_scheme.pdb_strand_id _pdbe_orig_nonpoly_scheme.pdb_ins_code C 2 ZN 1 301 301 ZN ZN A . D 2 ZN 1 302 303 ZN ZN A . E 2 ZN 1 303 304 ZN ZN A . F 2 ZN 1 304 305 ZN ZN A . G 2 ZN 1 301 302 ZN ZN B . H 2 ZN 1 302 306 ZN ZN B . I 3 HOH 1 401 401 HOH HOH A . I 3 HOH 2 402 403 HOH HOH A . I 3 HOH 3 403 404 HOH HOH A . I 3 HOH 4 404 405 HOH HOH A . I 3 HOH 5 405 407 HOH HOH A . I 3 HOH 6 406 408 HOH HOH A . I 3 HOH 7 407 412 HOH HOH A . I 3 HOH 8 408 415 HOH HOH A . I 3 HOH 9 409 416 HOH HOH A . I 3 HOH 10 410 417 HOH HOH A . I 3 HOH 11 411 418 HOH HOH A . I 3 HOH 12 412 419 HOH HOH A . I 3 HOH 13 413 420 HOH HOH A . I 3 HOH 14 414 422 HOH HOH A . I 3 HOH 15 415 424 HOH HOH A . I 3 HOH 16 416 427 HOH HOH A . I 3 HOH 17 417 430 HOH HOH A . I 3 HOH 18 418 433 HOH HOH A . I 3 HOH 19 419 434 HOH HOH A . I 3 HOH 20 420 435 HOH HOH A . I 3 HOH 21 421 436 HOH HOH A . I 3 HOH 22 422 438 HOH HOH A . I 3 HOH 23 423 439 HOH HOH A . I 3 HOH 24 424 440 HOH HOH A . I 3 HOH 25 425 443 HOH HOH A . I 3 HOH 26 426 444 HOH HOH A . I 3 HOH 27 427 447 HOH HOH A . I 3 HOH 28 428 450 HOH HOH A . I 3 HOH 29 429 454 HOH HOH A . I 3 HOH 30 430 455 HOH HOH A . I 3 HOH 31 431 463 HOH HOH A . I 3 HOH 32 432 468 HOH HOH A . I 3 HOH 33 433 473 HOH HOH A . I 3 HOH 34 434 478 HOH HOH A . I 3 HOH 35 435 479 HOH HOH A . I 3 HOH 36 436 482 HOH HOH A . I 3 HOH 37 437 485 HOH HOH A . I 3 HOH 38 438 486 HOH HOH A . I 3 HOH 39 439 487 HOH HOH A . I 3 HOH 40 440 488 HOH HOH A . I 3 HOH 41 441 489 HOH HOH A . I 3 HOH 42 442 490 HOH HOH A . I 3 HOH 43 443 491 HOH HOH A . I 3 HOH 44 444 492 HOH HOH A . I 3 HOH 45 445 493 HOH HOH A . I 3 HOH 46 446 494 HOH HOH A . I 3 HOH 47 447 495 HOH HOH A . I 3 HOH 48 448 496 HOH HOH A . I 3 HOH 49 449 498 HOH HOH A . I 3 HOH 50 450 500 HOH HOH A . I 3 HOH 51 451 501 HOH HOH A . I 3 HOH 52 452 503 HOH HOH A . I 3 HOH 53 453 504 HOH HOH A . I 3 HOH 54 454 505 HOH HOH A . I 3 HOH 55 455 506 HOH HOH A . I 3 HOH 56 456 507 HOH HOH A . I 3 HOH 57 457 508 HOH HOH A . I 3 HOH 58 458 509 HOH HOH A . I 3 HOH 59 459 510 HOH HOH A . I 3 HOH 60 460 511 HOH HOH A . I 3 HOH 61 461 512 HOH HOH A . I 3 HOH 62 462 515 HOH HOH A . I 3 HOH 63 463 516 HOH HOH A . I 3 HOH 64 464 517 HOH HOH A . I 3 HOH 65 465 518 HOH HOH A . I 3 HOH 66 466 519 HOH HOH A . I 3 HOH 67 467 520 HOH HOH A . I 3 HOH 68 468 521 HOH HOH A . I 3 HOH 69 469 522 HOH HOH A . I 3 HOH 70 470 523 HOH HOH A . I 3 HOH 71 471 524 HOH HOH A . I 3 HOH 72 472 525 HOH HOH A . I 3 HOH 73 473 527 HOH HOH A . I 3 HOH 74 474 528 HOH HOH A . I 3 HOH 75 475 529 HOH HOH A . I 3 HOH 76 476 530 HOH HOH A . I 3 HOH 77 477 531 HOH HOH A . I 3 HOH 78 478 532 HOH HOH A . I 3 HOH 79 479 560 HOH HOH A . I 3 HOH 80 480 563 HOH HOH A . I 3 HOH 81 481 570 HOH HOH A . I 3 HOH 82 482 572 HOH HOH A . I 3 HOH 83 483 573 HOH HOH A . I 3 HOH 84 485 578 HOH HOH A . I 3 HOH 85 486 582 HOH HOH A . I 3 HOH 86 487 587 HOH HOH A . I 3 HOH 87 488 588 HOH HOH A . I 3 HOH 88 489 589 HOH HOH A . I 3 HOH 89 490 590 HOH HOH A . I 3 HOH 90 491 591 HOH HOH A . I 3 HOH 91 492 592 HOH HOH A . I 3 HOH 92 493 593 HOH HOH A . I 3 HOH 93 494 594 HOH HOH A . I 3 HOH 94 495 595 HOH HOH A . I 3 HOH 95 496 596 HOH HOH A . I 3 HOH 96 497 597 HOH HOH A . I 3 HOH 97 498 598 HOH HOH A . I 3 HOH 98 499 599 HOH HOH A . I 3 HOH 99 500 601 HOH HOH A . I 3 HOH 100 501 602 HOH HOH A . I 3 HOH 101 502 603 HOH HOH A . I 3 HOH 102 503 604 HOH HOH A . I 3 HOH 103 504 605 HOH HOH A . I 3 HOH 104 505 606 HOH HOH A . I 3 HOH 105 506 607 HOH HOH A . I 3 HOH 106 507 608 HOH HOH A . I 3 HOH 107 508 609 HOH HOH A . I 3 HOH 108 509 610 HOH HOH A . I 3 HOH 109 510 611 HOH HOH A . I 3 HOH 110 511 612 HOH HOH A . I 3 HOH 111 512 613 HOH HOH A . I 3 HOH 112 513 614 HOH HOH A . I 3 HOH 113 514 615 HOH HOH A . I 3 HOH 114 515 616 HOH HOH A . I 3 HOH 115 516 617 HOH HOH A . I 3 HOH 116 517 618 HOH HOH A . I 3 HOH 117 518 619 HOH HOH A . I 3 HOH 118 519 622 HOH HOH A . I 3 HOH 119 520 623 HOH HOH A . I 3 HOH 120 521 624 HOH HOH A . I 3 HOH 121 522 625 HOH HOH A . I 3 HOH 122 523 682 HOH HOH A . I 3 HOH 123 524 685 HOH HOH A . I 3 HOH 124 525 686 HOH HOH A . I 3 HOH 125 526 694 HOH HOH A . I 3 HOH 126 527 700 HOH HOH A . I 3 HOH 127 528 704 HOH HOH A . I 3 HOH 128 529 707 HOH HOH A . I 3 HOH 129 530 708 HOH HOH A . I 3 HOH 130 531 709 HOH HOH A . I 3 HOH 131 532 712 HOH HOH A . I 3 HOH 132 533 713 HOH HOH A . I 3 HOH 133 534 720 HOH HOH A . I 3 HOH 134 535 723 HOH HOH A . I 3 HOH 135 536 724 HOH HOH A . I 3 HOH 136 537 725 HOH HOH A . I 3 HOH 137 538 728 HOH HOH A . I 3 HOH 138 539 731 HOH HOH A . I 3 HOH 139 540 732 HOH HOH A . I 3 HOH 140 541 733 HOH HOH A . I 3 HOH 141 542 734 HOH HOH A . I 3 HOH 142 543 736 HOH HOH A . I 3 HOH 143 544 737 HOH HOH A . I 3 HOH 144 545 738 HOH HOH A . I 3 HOH 145 546 741 HOH HOH A . I 3 HOH 146 547 747 HOH HOH A . I 3 HOH 147 548 748 HOH HOH A . I 3 HOH 148 550 752 HOH HOH A . I 3 HOH 149 551 753 HOH HOH A . I 3 HOH 150 552 755 HOH HOH A . I 3 HOH 151 553 756 HOH HOH A . I 3 HOH 152 554 765 HOH HOH A . I 3 HOH 153 555 768 HOH HOH A . I 3 HOH 154 556 769 HOH HOH A . I 3 HOH 155 557 771 HOH HOH A . I 3 HOH 156 558 777 HOH HOH A . I 3 HOH 157 559 779 HOH HOH A . I 3 HOH 158 560 783 HOH HOH A . I 3 HOH 159 561 785 HOH HOH A . I 3 HOH 160 562 787 HOH HOH A . I 3 HOH 161 563 788 HOH HOH A . I 3 HOH 162 565 790 HOH HOH A . I 3 HOH 163 566 791 HOH HOH A . I 3 HOH 164 568 797 HOH HOH A . I 3 HOH 165 569 798 HOH HOH A . I 3 HOH 166 570 808 HOH HOH A . I 3 HOH 167 571 810 HOH HOH A . I 3 HOH 168 572 811 HOH HOH A . I 3 HOH 169 573 812 HOH HOH A . I 3 HOH 170 574 813 HOH HOH A . I 3 HOH 171 575 814 HOH HOH A . I 3 HOH 172 577 817 HOH HOH A . I 3 HOH 173 578 818 HOH HOH A . I 3 HOH 174 579 819 HOH HOH A . I 3 HOH 175 580 820 HOH HOH A . I 3 HOH 176 581 821 HOH HOH A . I 3 HOH 177 582 822 HOH HOH A . I 3 HOH 178 583 823 HOH HOH A . I 3 HOH 179 584 824 HOH HOH A . I 3 HOH 180 585 826 HOH HOH A . I 3 HOH 181 586 828 HOH HOH A . I 3 HOH 182 587 829 HOH HOH A . I 3 HOH 183 588 830 HOH HOH A . I 3 HOH 184 589 831 HOH HOH A . I 3 HOH 185 590 832 HOH HOH A . I 3 HOH 186 591 834 HOH HOH A . I 3 HOH 187 593 841 HOH HOH A . I 3 HOH 188 594 844 HOH HOH A . I 3 HOH 189 595 848 HOH HOH A . I 3 HOH 190 596 850 HOH HOH A . I 3 HOH 191 597 851 HOH HOH A . I 3 HOH 192 599 853 HOH HOH A . I 3 HOH 193 600 854 HOH HOH A . I 3 HOH 194 601 856 HOH HOH A . I 3 HOH 195 602 860 HOH HOH A . I 3 HOH 196 603 861 HOH HOH A . I 3 HOH 197 604 863 HOH HOH A . I 3 HOH 198 605 864 HOH HOH A . I 3 HOH 199 606 865 HOH HOH A . I 3 HOH 200 607 872 HOH HOH A . I 3 HOH 201 608 873 HOH HOH A . I 3 HOH 202 609 877 HOH HOH A . I 3 HOH 203 610 878 HOH HOH A . I 3 HOH 204 611 882 HOH HOH A . I 3 HOH 205 612 885 HOH HOH A . I 3 HOH 206 613 886 HOH HOH A . I 3 HOH 207 614 887 HOH HOH A . I 3 HOH 208 615 888 HOH HOH A . I 3 HOH 209 616 893 HOH HOH A . I 3 HOH 210 617 896 HOH HOH A . I 3 HOH 211 618 897 HOH HOH A . I 3 HOH 212 619 898 HOH HOH A . I 3 HOH 213 620 899 HOH HOH A . I 3 HOH 214 621 911 HOH HOH A . I 3 HOH 215 622 917 HOH HOH A . I 3 HOH 216 623 918 HOH HOH A . I 3 HOH 217 624 919 HOH HOH A . I 3 HOH 218 625 920 HOH HOH A . I 3 HOH 219 626 921 HOH HOH A . I 3 HOH 220 627 922 HOH HOH A . I 3 HOH 221 628 923 HOH HOH A . I 3 HOH 222 629 926 HOH HOH A . I 3 HOH 223 630 927 HOH HOH A . I 3 HOH 224 631 928 HOH HOH A . I 3 HOH 225 632 929 HOH HOH A . I 3 HOH 226 633 930 HOH HOH A . I 3 HOH 227 634 931 HOH HOH A . I 3 HOH 228 635 932 HOH HOH A . I 3 HOH 229 636 933 HOH HOH A . I 3 HOH 230 637 935 HOH HOH A . I 3 HOH 231 638 937 HOH HOH A . I 3 HOH 232 639 583 HOH HOH A . I 3 HOH 233 640 584 HOH HOH A . I 3 HOH 234 641 585 HOH HOH A . I 3 HOH 235 642 586 HOH HOH A . I 3 HOH 236 643 630 HOH HOH A . I 3 HOH 237 644 735 HOH HOH A . I 3 HOH 238 645 786 HOH HOH A . I 3 HOH 239 646 809 HOH HOH A . I 3 HOH 240 647 857 HOH HOH A . I 3 HOH 241 648 859 HOH HOH A . I 3 HOH 242 649 874 HOH HOH A . I 3 HOH 243 650 934 HOH HOH A . J 3 HOH 1 401 497 HOH HOH B . J 3 HOH 2 402 499 HOH HOH B . J 3 HOH 3 403 526 HOH HOH B . J 3 HOH 4 404 561 HOH HOH B . J 3 HOH 5 405 711 HOH HOH B . J 3 HOH 6 406 721 HOH HOH B . J 3 HOH 7 407 727 HOH HOH B . J 3 HOH 8 408 749 HOH HOH B . J 3 HOH 9 409 757 HOH HOH B . J 3 HOH 10 410 792 HOH HOH B . J 3 HOH 11 411 794 HOH HOH B . J 3 HOH 12 412 795 HOH HOH B . J 3 HOH 13 413 796 HOH HOH B . J 3 HOH 14 414 799 HOH HOH B . J 3 HOH 15 415 816 HOH HOH B . J 3 HOH 16 416 827 HOH HOH B . J 3 HOH 17 417 842 HOH HOH B . J 3 HOH 18 418 849 HOH HOH B . J 3 HOH 19 419 855 HOH HOH B . J 3 HOH 20 420 892 HOH HOH B . J 3 HOH 21 421 895 HOH HOH B . J 3 HOH 22 422 916 HOH HOH B . J 3 HOH 23 423 402 HOH HOH B . J 3 HOH 24 424 406 HOH HOH B . J 3 HOH 25 425 409 HOH HOH B . J 3 HOH 26 426 410 HOH HOH B . J 3 HOH 27 427 411 HOH HOH B . J 3 HOH 28 428 413 HOH HOH B . J 3 HOH 29 429 414 HOH HOH B . J 3 HOH 30 430 421 HOH HOH B . J 3 HOH 31 431 423 HOH HOH B . J 3 HOH 32 432 425 HOH HOH B . J 3 HOH 33 433 426 HOH HOH B . J 3 HOH 34 434 428 HOH HOH B . J 3 HOH 35 435 429 HOH HOH B . J 3 HOH 36 436 431 HOH HOH B . J 3 HOH 37 437 432 HOH HOH B . J 3 HOH 38 438 437 HOH HOH B . J 3 HOH 39 439 441 HOH HOH B . J 3 HOH 40 440 442 HOH HOH B . J 3 HOH 41 441 445 HOH HOH B . J 3 HOH 42 442 446 HOH HOH B . J 3 HOH 43 443 448 HOH HOH B . J 3 HOH 44 444 449 HOH HOH B . J 3 HOH 45 445 451 HOH HOH B . J 3 HOH 46 446 452 HOH HOH B . J 3 HOH 47 447 453 HOH HOH B . J 3 HOH 48 448 456 HOH HOH B . J 3 HOH 49 449 457 HOH HOH B . J 3 HOH 50 450 458 HOH HOH B . J 3 HOH 51 451 459 HOH HOH B . J 3 HOH 52 452 460 HOH HOH B . J 3 HOH 53 453 461 HOH HOH B . J 3 HOH 54 454 462 HOH HOH B . J 3 HOH 55 455 464 HOH HOH B . J 3 HOH 56 456 465 HOH HOH B . J 3 HOH 57 457 466 HOH HOH B . J 3 HOH 58 458 467 HOH HOH B . J 3 HOH 59 459 469 HOH HOH B . J 3 HOH 60 460 470 HOH HOH B . J 3 HOH 61 461 471 HOH HOH B . J 3 HOH 62 462 472 HOH HOH B . J 3 HOH 63 463 474 HOH HOH B . J 3 HOH 64 464 475 HOH HOH B . J 3 HOH 65 465 476 HOH HOH B . J 3 HOH 66 466 477 HOH HOH B . J 3 HOH 67 467 480 HOH HOH B . J 3 HOH 68 468 481 HOH HOH B . J 3 HOH 69 469 483 HOH HOH B . J 3 HOH 70 470 484 HOH HOH B . J 3 HOH 71 471 502 HOH HOH B . J 3 HOH 72 472 513 HOH HOH B . J 3 HOH 73 473 514 HOH HOH B . J 3 HOH 74 474 533 HOH HOH B . J 3 HOH 75 475 534 HOH HOH B . J 3 HOH 76 476 535 HOH HOH B . J 3 HOH 77 477 536 HOH HOH B . J 3 HOH 78 478 537 HOH HOH B . J 3 HOH 79 479 538 HOH HOH B . J 3 HOH 80 480 539 HOH HOH B . J 3 HOH 81 481 540 HOH HOH B . J 3 HOH 82 482 541 HOH HOH B . J 3 HOH 83 483 542 HOH HOH B . J 3 HOH 84 484 543 HOH HOH B . J 3 HOH 85 485 544 HOH HOH B . J 3 HOH 86 486 545 HOH HOH B . J 3 HOH 87 487 546 HOH HOH B . J 3 HOH 88 488 547 HOH HOH B . J 3 HOH 89 489 548 HOH HOH B . J 3 HOH 90 490 549 HOH HOH B . J 3 HOH 91 491 550 HOH HOH B . J 3 HOH 92 492 551 HOH HOH B . J 3 HOH 93 493 552 HOH HOH B . J 3 HOH 94 494 553 HOH HOH B . J 3 HOH 95 495 554 HOH HOH B . J 3 HOH 96 496 555 HOH HOH B . J 3 HOH 97 497 556 HOH HOH B . J 3 HOH 98 498 557 HOH HOH B . J 3 HOH 99 499 558 HOH HOH B . J 3 HOH 100 500 559 HOH HOH B . J 3 HOH 101 501 562 HOH HOH B . J 3 HOH 102 502 564 HOH HOH B . J 3 HOH 103 503 565 HOH HOH B . J 3 HOH 104 505 567 HOH HOH B . J 3 HOH 105 506 568 HOH HOH B . J 3 HOH 106 507 569 HOH HOH B . J 3 HOH 107 508 571 HOH HOH B . J 3 HOH 108 509 575 HOH HOH B . J 3 HOH 109 510 576 HOH HOH B . J 3 HOH 110 511 577 HOH HOH B . J 3 HOH 111 512 579 HOH HOH B . J 3 HOH 112 513 580 HOH HOH B . J 3 HOH 113 514 581 HOH HOH B . J 3 HOH 114 515 600 HOH HOH B . J 3 HOH 115 516 620 HOH HOH B . J 3 HOH 116 517 621 HOH HOH B . J 3 HOH 117 518 626 HOH HOH B . J 3 HOH 118 519 627 HOH HOH B . J 3 HOH 119 520 628 HOH HOH B . J 3 HOH 120 521 629 HOH HOH B . J 3 HOH 121 522 631 HOH HOH B . J 3 HOH 122 523 632 HOH HOH B . J 3 HOH 123 524 633 HOH HOH B . J 3 HOH 124 525 634 HOH HOH B . J 3 HOH 125 526 635 HOH HOH B . J 3 HOH 126 527 636 HOH HOH B . J 3 HOH 127 528 637 HOH HOH B . J 3 HOH 128 529 638 HOH HOH B . J 3 HOH 129 530 639 HOH HOH B . J 3 HOH 130 531 640 HOH HOH B . J 3 HOH 131 532 641 HOH HOH B . J 3 HOH 132 533 642 HOH HOH B . J 3 HOH 133 534 643 HOH HOH B . J 3 HOH 134 535 644 HOH HOH B . J 3 HOH 135 536 645 HOH HOH B . J 3 HOH 136 537 646 HOH HOH B . J 3 HOH 137 538 647 HOH HOH B . J 3 HOH 138 539 648 HOH HOH B . J 3 HOH 139 540 649 HOH HOH B . J 3 HOH 140 541 650 HOH HOH B . J 3 HOH 141 542 651 HOH HOH B . J 3 HOH 142 543 652 HOH HOH B . J 3 HOH 143 544 653 HOH HOH B . J 3 HOH 144 545 654 HOH HOH B . J 3 HOH 145 546 655 HOH HOH B . J 3 HOH 146 547 656 HOH HOH B . J 3 HOH 147 548 657 HOH HOH B . J 3 HOH 148 549 658 HOH HOH B . J 3 HOH 149 550 659 HOH HOH B . J 3 HOH 150 551 660 HOH HOH B . J 3 HOH 151 552 661 HOH HOH B . J 3 HOH 152 553 662 HOH HOH B . J 3 HOH 153 554 663 HOH HOH B . J 3 HOH 154 555 664 HOH HOH B . J 3 HOH 155 556 665 HOH HOH B . J 3 HOH 156 557 666 HOH HOH B . J 3 HOH 157 558 667 HOH HOH B . J 3 HOH 158 559 668 HOH HOH B . J 3 HOH 159 560 669 HOH HOH B . J 3 HOH 160 561 670 HOH HOH B . J 3 HOH 161 562 671 HOH HOH B . J 3 HOH 162 563 672 HOH HOH B . J 3 HOH 163 564 673 HOH HOH B . J 3 HOH 164 565 674 HOH HOH B . J 3 HOH 165 567 676 HOH HOH B . J 3 HOH 166 568 677 HOH HOH B . J 3 HOH 167 569 678 HOH HOH B . J 3 HOH 168 570 679 HOH HOH B . J 3 HOH 169 571 680 HOH HOH B . J 3 HOH 170 572 681 HOH HOH B . J 3 HOH 171 573 683 HOH HOH B . J 3 HOH 172 574 684 HOH HOH B . J 3 HOH 173 575 687 HOH HOH B . J 3 HOH 174 576 688 HOH HOH B . J 3 HOH 175 577 689 HOH HOH B . J 3 HOH 176 578 690 HOH HOH B . J 3 HOH 177 579 691 HOH HOH B . J 3 HOH 178 580 692 HOH HOH B . J 3 HOH 179 581 693 HOH HOH B . J 3 HOH 180 582 695 HOH HOH B . J 3 HOH 181 583 696 HOH HOH B . J 3 HOH 182 584 697 HOH HOH B . J 3 HOH 183 585 698 HOH HOH B . J 3 HOH 184 586 699 HOH HOH B . J 3 HOH 185 587 701 HOH HOH B . J 3 HOH 186 588 702 HOH HOH B . J 3 HOH 187 589 703 HOH HOH B . J 3 HOH 188 590 705 HOH HOH B . J 3 HOH 189 591 706 HOH HOH B . J 3 HOH 190 592 710 HOH HOH B . J 3 HOH 191 593 714 HOH HOH B . J 3 HOH 192 594 715 HOH HOH B . J 3 HOH 193 595 716 HOH HOH B . J 3 HOH 194 596 717 HOH HOH B . J 3 HOH 195 597 718 HOH HOH B . J 3 HOH 196 598 719 HOH HOH B . J 3 HOH 197 599 722 HOH HOH B . J 3 HOH 198 600 726 HOH HOH B . J 3 HOH 199 601 729 HOH HOH B . J 3 HOH 200 602 730 HOH HOH B . J 3 HOH 201 603 739 HOH HOH B . J 3 HOH 202 604 740 HOH HOH B . J 3 HOH 203 605 742 HOH HOH B . J 3 HOH 204 606 743 HOH HOH B . J 3 HOH 205 607 744 HOH HOH B . J 3 HOH 206 608 745 HOH HOH B . J 3 HOH 207 609 746 HOH HOH B . J 3 HOH 208 610 751 HOH HOH B . J 3 HOH 209 611 754 HOH HOH B . J 3 HOH 210 612 758 HOH HOH B . J 3 HOH 211 613 759 HOH HOH B . J 3 HOH 212 614 760 HOH HOH B . J 3 HOH 213 615 761 HOH HOH B . J 3 HOH 214 616 762 HOH HOH B . J 3 HOH 215 617 763 HOH HOH B . J 3 HOH 216 618 764 HOH HOH B . J 3 HOH 217 619 766 HOH HOH B . J 3 HOH 218 620 767 HOH HOH B . J 3 HOH 219 621 770 HOH HOH B . J 3 HOH 220 622 772 HOH HOH B . J 3 HOH 221 623 773 HOH HOH B . J 3 HOH 222 624 774 HOH HOH B . J 3 HOH 223 625 775 HOH HOH B . J 3 HOH 224 626 776 HOH HOH B . J 3 HOH 225 627 778 HOH HOH B . J 3 HOH 226 628 780 HOH HOH B . J 3 HOH 227 629 781 HOH HOH B . J 3 HOH 228 630 782 HOH HOH B . J 3 HOH 229 631 784 HOH HOH B . J 3 HOH 230 632 800 HOH HOH B . J 3 HOH 231 633 801 HOH HOH B . J 3 HOH 232 634 802 HOH HOH B . J 3 HOH 233 635 803 HOH HOH B . J 3 HOH 234 636 804 HOH HOH B . J 3 HOH 235 637 805 HOH HOH B . J 3 HOH 236 638 806 HOH HOH B . J 3 HOH 237 639 807 HOH HOH B . J 3 HOH 238 640 825 HOH HOH B . J 3 HOH 239 641 833 HOH HOH B . J 3 HOH 240 642 835 HOH HOH B . J 3 HOH 241 643 836 HOH HOH B . J 3 HOH 242 644 837 HOH HOH B . J 3 HOH 243 645 838 HOH HOH B . J 3 HOH 244 646 839 HOH HOH B . J 3 HOH 245 647 843 HOH HOH B . J 3 HOH 246 648 845 HOH HOH B . J 3 HOH 247 650 847 HOH HOH B . J 3 HOH 248 651 858 HOH HOH B . J 3 HOH 249 652 862 HOH HOH B . J 3 HOH 250 653 866 HOH HOH B . J 3 HOH 251 654 867 HOH HOH B . J 3 HOH 252 655 868 HOH HOH B . J 3 HOH 253 656 869 HOH HOH B . J 3 HOH 254 657 870 HOH HOH B . J 3 HOH 255 658 871 HOH HOH B . J 3 HOH 256 659 875 HOH HOH B . J 3 HOH 257 660 876 HOH HOH B . J 3 HOH 258 661 879 HOH HOH B . J 3 HOH 259 662 880 HOH HOH B . J 3 HOH 260 663 881 HOH HOH B . J 3 HOH 261 664 883 HOH HOH B . J 3 HOH 262 665 884 HOH HOH B . J 3 HOH 263 666 889 HOH HOH B . J 3 HOH 264 667 890 HOH HOH B . J 3 HOH 265 668 891 HOH HOH B . J 3 HOH 266 669 894 HOH HOH B . J 3 HOH 267 670 900 HOH HOH B . J 3 HOH 268 671 901 HOH HOH B . J 3 HOH 269 672 902 HOH HOH B . J 3 HOH 270 673 903 HOH HOH B . J 3 HOH 271 674 904 HOH HOH B . J 3 HOH 272 675 905 HOH HOH B . J 3 HOH 273 676 906 HOH HOH B . J 3 HOH 274 677 907 HOH HOH B . J 3 HOH 275 678 908 HOH HOH B . J 3 HOH 276 679 909 HOH HOH B . J 3 HOH 277 680 910 HOH HOH B . J 3 HOH 278 681 912 HOH HOH B . J 3 HOH 279 682 913 HOH HOH B . J 3 HOH 280 683 914 HOH HOH B . J 3 HOH 281 684 915 HOH HOH B . J 3 HOH 282 685 924 HOH HOH B . J 3 HOH 283 686 925 HOH HOH B . J 3 HOH 284 687 936 HOH HOH B . # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details _entity.assembly_id 1 polymer nat "zinc-dependent metalloproteinase" 21809.641 1 3.4.24.53 ? ? ? 2 2 non-polymer syn "ZINC ION" 65.409 2 ? ? ? ? 2 3 water nat water 18.015 1 ? ? ? ? 2 # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;QQRFPQRYVMLAIVADHGMVTKYSGNSSAITTRVHQMVSHVTEMYSPLNIATTLSLLRIWSSKDLITVQSDSSVTLGSFG DWRKVVLLSQQAHDCAFLNTATALDDSTIGLAYSNGMCDPKFSVGLVQDHSSNVFMVAVTMTHELGHNLGMAHDEAGGCA CSSCIMSPAASSGPSKLFSDCSKDDYQTFLTNTNPQCILNAP ; _entity_poly.pdbx_seq_one_letter_code_can ;QQRFPQRYVMLAIVADHGMVTKYSGNSSAITTRVHQMVSHVTEMYSPLNIATTLSLLRIWSSKDLITVQSDSSVTLGSFG DWRKVVLLSQQAHDCAFLNTATALDDSTIGLAYSNGMCDPKFSVGLVQDHSSNVFMVAVTMTHELGHNLGMAHDEAGGCA CSSCIMSPAASSGPSKLFSDCSKDDYQTFLTNTNPQCILNAP ; _entity_poly.pdbx_strand_id B _entity_poly.pdbx_target_identifier ? _entity_poly.assembly_id 2 # loop_ _pdbx_entity_nonpoly.assembly_id _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 2 "ZINC ION" ZN 2 3 water HOH # loop_ _pdbe_entity_remapping.source_coordinates _pdbe_entity_remapping.assembly_id _pdbe_entity_remapping.entity_id _pdbe_entity_remapping.type _pdbe_entity_remapping.description 4J4M 2 1 polypeptide(L) "zinc-dependent metalloproteinase" 4J4M 2 2 ligand "ZINC ION" 4J4M 2 3 ligand water # loop_ _pdbe_chain_remapping.source_coordinates _pdbe_chain_remapping.assembly_id _pdbe_chain_remapping.model_num _pdbe_chain_remapping.entity_id _pdbe_chain_remapping.orig_auth_asym_id _pdbe_chain_remapping.new_auth_asym_id _pdbe_chain_remapping.orig_label_asym_id _pdbe_chain_remapping.new_label_asym_id _pdbe_chain_remapping.applied_operations 4J4M 2 1 1 B B B B "_1" 4J4M 2 1 2 B G G G "_1" 4J4M 2 1 2 B H H H "_1" 4J4M 2 1 3 B J J J "_1" #