data_1kuk-assembly-1_atom_site # 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 . GLN A 1 3 ? -5.285 36.306 15.064 1.0 30.59 ? 3 GLN A N 1 3 . A ATOM 2 C CA . GLN A 1 3 ? -4.736 34.916 14.985 1.0 29.67 ? 3 GLN A CA 1 3 . A ATOM 3 C C . GLN A 1 3 ? -5.795 34.014 14.359 1.0 27.57 ? 3 GLN A C 1 3 . A ATOM 4 O O . GLN A 1 3 ? -6.982 34.110 14.695 1.0 27.35 ? 3 GLN A O 1 3 . A ATOM 5 C CB . GLN A 1 3 ? -4.406 34.388 16.385 1.0 31.66 ? 3 GLN A CB 1 3 . A ATOM 6 C CG . GLN A 1 3 ? -3.306 35.141 17.135 1.0 34.35 ? 3 GLN A CG 1 3 . A ATOM 7 C CD . GLN A 1 3 ? -1.955 34.463 17.032 1.0 36.16 ? 3 GLN A CD 1 3 . A ATOM 8 O OE1 . GLN A 1 3 ? -1.012 34.831 17.739 1.0 37.3 ? 3 GLN A OE1 1 3 . A ATOM 9 N NE2 . GLN A 1 3 ? -1.845 33.469 16.149 1.0 36.47 ? 3 GLN A NE2 1 3 . A ATOM 10 N N . ARG A 1 4 ? -5.373 33.142 13.450 1.0 24.77 ? 4 ARG A N 1 4 . A ATOM 11 C CA . ARG A 1 4 ? -6.307 32.226 12.816 1.0 21.84 ? 4 ARG A CA 1 4 . A ATOM 12 C C . ARG A 1 4 ? -6.821 31.194 13.826 1.0 19.71 ? 4 ARG A C 1 4 . A ATOM 13 O O . ARG A 1 4 ? -7.980 30.761 13.757 1.0 19.44 ? 4 ARG A O 1 4 . A ATOM 14 C CB . ARG A 1 4 ? -5.642 31.506 11.647 1.0 22.38 ? 4 ARG A CB 1 4 . A ATOM 15 C CG . ARG A 1 4 ? -6.524 30.401 11.075 1.0 22.15 ? 4 ARG A CG 1 4 . A ATOM 16 C CD . ARG A 1 4 ? -5.940 29.774 9.835 1.0 22.16 ? 4 ARG A CD 1 4 . A ATOM 17 N NE . ARG A 1 4 ? -6.727 28.602 9.469 1.0 22.8 ? 4 ARG A NE 1 4 . A ATOM 18 C CZ . ARG A 1 4 ? -6.542 27.873 8.381 1.0 21.82 ? 4 ARG A CZ 1 4 . A ATOM 19 N NH1 . ARG A 1 4 ? -5.590 28.191 7.521 1.0 23.62 ? 4 ARG A NH1 1 4 . A ATOM 20 N NH2 . ARG A 1 4 ? -7.306 26.815 8.179 1.0 22.97 ? 4 ARG A NH2 1 4 . A ATOM 21 N N . PHE A 1 5 ? -5.975 30.826 14.790 1.0 17.03 ? 5 PHE A N 1 5 . A ATOM 22 C CA . PHE A 1 5 ? -6.348 29.832 15.784 1.0 14.62 ? 5 PHE A CA 1 5 . A ATOM 23 C C . PHE A 1 5 ? -6.416 30.334 17.215 1.0 13.96 ? 5 PHE A C 1 5 . A ATOM 24 O O . PHE A 1 5 ? -5.705 31.266 17.582 1.0 14.55 ? 5 PHE A O 1 5 . A ATOM 25 C CB . PHE A 1 5 ? -5.356 28.658 15.745 1.0 13.98 ? 5 PHE A CB 1 5 . A ATOM 26 C CG . PHE A 1 5 ? -5.328 27.944 14.428 1.0 12.11 ? 5 PHE A CG 1 5 . A ATOM 27 C CD1 . PHE A 1 5 ? -4.300 28.157 13.519 1.0 12.1 ? 5 PHE A CD1 1 5 . A ATOM 28 C CD2 . PHE A 1 5 ? -6.336 27.065 14.088 1.0 11.97 ? 5 PHE A CD2 1 5 . A ATOM 29 C CE1 . PHE A 1 5 ? -4.283 27.498 12.293 1.0 12.92 ? 5 PHE A CE1 1 5 . A ATOM 30 C CE2 . PHE A 1 5 ? -6.336 26.399 12.869 1.0 12.53 ? 5 PHE A CE2 1 5 . A ATOM 31 C CZ . PHE A 1 5 ? -5.292 26.622 11.964 1.0 11.81 ? 5 PHE A CZ 1 5 . A ATOM 32 N N . PRO A 1 6 ? -7.256 29.703 18.044 1.0 13.33 ? 6 PRO A N 1 6 . A ATOM 33 C CA . PRO A 1 6 ? -7.383 30.105 19.449 1.0 13.61 ? 6 PRO A CA 1 6 . A ATOM 34 C C . PRO A 1 6 ? -6.157 29.589 20.187 1.0 13.61 ? 6 PRO A C 1 6 . A ATOM 35 O O . PRO A 1 6 ? -5.481 28.664 19.734 1.0 14.37 ? 6 PRO A O 1 6 . A ATOM 36 C CB . PRO A 1 6 ? -8.649 29.393 19.902 1.0 14.19 ? 6 PRO A CB 1 6 . A ATOM 37 C CG . PRO A 1 6 ? -8.604 28.114 19.112 1.0 14.51 ? 6 PRO A CG 1 6 . A ATOM 38 C CD . PRO A 1 6 ? -8.206 28.630 17.722 1.0 14.56 ? 6 PRO A CD 1 6 . A ATOM 39 N N . GLN A 1 7 ? -5.887 30.163 21.344 1.0 13.07 ? 7 GLN A N 1 7 . A ATOM 40 C CA . GLN A 1 7 ? -4.724 29.772 22.121 1.0 12.59 ? 7 GLN A CA 1 7 . A ATOM 41 C C . GLN A 1 7 ? -4.776 28.343 22.630 1.0 11.74 ? 7 GLN A C 1 7 . A ATOM 42 O O . GLN A 1 7 ? -5.789 27.911 23.180 1.0 12.16 ? 7 GLN A O 1 7 . A ATOM 43 C CB . GLN A 1 7 ? -4.614 30.702 23.335 1.0 13.5 ? 7 GLN A CB 1 7 . A ATOM 44 C CG . GLN A 1 7 ? -3.396 30.443 24.208 1.0 17.19 ? 7 GLN A CG 1 7 . A ATOM 45 C CD . GLN A 1 7 ? -2.114 30.929 23.558 1.0 18.81 ? 7 GLN A CD 1 7 . A ATOM 46 O OE1 . GLN A 1 7 ? -1.943 32.136 23.347 1.0 21.83 ? 7 GLN A OE1 1 7 . A ATOM 47 N NE2 . GLN A 1 7 ? -1.208 29.998 23.209 1.0 19.23 ? 7 GLN A NE2 1 7 . A ATOM 48 N N . ARG A 1 8 ? -3.661 27.631 22.471 1.0 10.35 ? 8 ARG A N 1 8 . A ATOM 49 C CA . ARG A 1 8 ? -3.510 26.291 23.000 1.0 11.3 ? 8 ARG A CA 1 8 . A ATOM 50 C C . ARG A 1 8 ? -2.110 26.190 23.605 1.0 10.76 ? 8 ARG A C 1 8 . A ATOM 51 O O . ARG A 1 8 ? -1.235 27.034 23.347 1.0 9.97 ? 8 ARG A O 1 8 . A ATOM 52 C CB . ARG A 1 8 ? -3.735 25.225 21.909 1.0 10.51 ? 8 ARG A CB 1 8 . A ATOM 53 C CG . ARG A 1 8 ? -5.187 25.134 21.447 1.0 11.65 ? 8 ARG A CG 1 8 . A ATOM 54 C CD . ARG A 1 8 ? -6.065 24.599 22.558 1.0 12.53 ? 8 ARG A CD 1 8 . A ATOM 55 N NE . ARG A 1 8 ? -7.433 24.270 22.123 1.0 14.21 ? 8 ARG A NE 1 8 . A ATOM 56 C CZ . ARG A 1 8 ? -8.408 25.168 21.945 1.0 15.42 ? 8 ARG A CZ 1 8 . A ATOM 57 N NH1 . ARG A 1 8 ? -9.618 24.757 21.574 1.0 15.55 ? 8 ARG A NH1 1 8 . A ATOM 58 N NH2 . ARG A 1 8 ? -8.183 26.468 22.127 1.0 15.75 ? 8 ARG A NH2 1 8 . A ATOM 59 N N . TYR A 1 9 ? -1.904 25.157 24.413 1.0 10.99 ? 9 TYR A N 1 9 . A ATOM 60 C CA . TYR A 1 9 ? -0.635 24.969 25.110 1.0 11.16 ? 9 TYR A CA 1 9 . A ATOM 61 C C . TYR A 1 9 ? -0.242 23.503 25.121 1.0 11.38 ? 9 TYR A C 1 9 . A ATOM 62 O O . TYR A 1 9 ? -1.078 22.672 25.456 1.0 13.51 ? 9 TYR A O 1 9 . A ATOM 63 C CB . TYR A 1 9 ? -0.807 25.388 26.570 1.0 12.7 ? 9 TYR A CB 1 9 . A ATOM 64 C CG . TYR A 1 9 ? -1.435 26.727 26.777 1.0 13.61 ? 9 TYR A CG 1 9 . A ATOM 65 C CD1 . TYR A 1 9 ? -2.821 26.863 26.801 1.0 14.55 ? 9 TYR A CD1 1 9 . A ATOM 66 C CD2 . TYR A 1 9 ? -0.643 27.855 26.962 1.0 14.53 ? 9 TYR A CD2 1 9 . A ATOM 67 C CE1 . TYR A 1 9 ? -3.397 28.104 27.018 1.0 16.53 ? 9 TYR A CE1 1 9 . A ATOM 68 C CE2 . TYR A 1 9 ? -1.209 29.096 27.167 1.0 16.01 ? 9 TYR A CE2 1 9 . A ATOM 69 C CZ . TYR A 1 9 ? -2.575 29.211 27.201 1.0 16.21 ? 9 TYR A CZ 1 9 . A ATOM 70 O OH . TYR A 1 9 ? -3.127 30.446 27.426 1.0 19.34 ? 9 TYR A OH 1 9 . A ATOM 71 N N . ILE A 1 10 ? 1.002 23.189 24.766 1.0 9.21 ? 10 ILE A N 1 10 . A ATOM 72 C CA . ILE A 1 10 ? 1.451 21.806 24.808 1.0 9.18 ? 10 ILE A CA 1 10 . A ATOM 73 C C . ILE A 1 10 ? 2.676 21.729 25.725 1.0 9.37 ? 10 ILE A C 1 10 . A ATOM 74 O O . ILE A 1 10 ? 3.699 22.354 25.441 1.0 9.51 ? 10 ILE A O 1 10 . A ATOM 75 C CB . ILE A 1 10 ? 1.800 21.241 23.419 1.0 8.96 ? 10 ILE A CB 1 10 . A ATOM 76 C CG1 . ILE A 1 10 ? 0.552 21.198 22.539 1.0 9.82 ? 10 ILE A CG1 1 10 . A ATOM 77 C CG2 . ILE A 1 10 ? 2.330 19.804 23.545 1.0 10.5 ? 10 ILE A CG2 1 10 . A ATOM 78 C CD1 . ILE A 1 10 ? 0.848 20.788 21.082 1.0 10.74 ? 10 ILE A CD1 1 10 . A ATOM 79 N N . GLU A 1 11 ? 2.516 20.985 26.820 1.0 9.54 ? 11 GLU A N 1 11 . A ATOM 80 C CA . GLU A 1 11 ? 3.563 20.758 27.814 1.0 10.78 ? 11 GLU A CA 1 11 . A ATOM 81 C C . GLU A 1 11 ? 4.284 19.482 27.407 1.0 9.94 ? 11 GLU A C 1 11 . A ATOM 82 O O . GLU A 1 11 ? 3.728 18.386 27.499 1.0 11.35 ? 11 GLU A O 1 11 . A ATOM 83 C CB . GLU A 1 11 ? 2.965 20.571 29.206 1.0 14.29 ? 11 GLU A CB 1 11 . A ATOM 84 C CG . GLU A 1 11 ? 2.533 21.880 29.794 1.0 20.44 ? 11 GLU A CG 1 11 . A ATOM 85 C CD . GLU A 1 11 ? 1.195 22.321 29.332 1.0 23.88 ? 11 GLU A CD 1 11 . A ATOM 86 O OE1 . GLU A 1 11 ? 0.951 22.303 28.108 1.0 27.29 ? 11 GLU A OE1 1 11 . A ATOM 87 O OE2 . GLU A 1 11 ? 0.370 22.691 30.199 1.0 27.44 ? 11 GLU A OE2 1 11 . A ATOM 88 N N . LEU A 1 12 ? 5.501 19.610 26.932 1.0 9.35 ? 12 LEU A N 1 12 . A ATOM 89 C CA . LEU A 1 12 ? 6.224 18.449 26.466 1.0 9.27 ? 12 LEU A CA 1 12 . A ATOM 90 C C . LEU A 1 12 ? 7.112 17.776 27.480 1.0 10.1 ? 12 LEU A C 1 12 . A ATOM 91 O O . LEU A 1 12 ? 7.684 18.405 28.375 1.0 9.74 ? 12 LEU A O 1 12 . A ATOM 92 C CB . LEU A 1 12 ? 7.169 18.830 25.327 1.0 10.05 ? 12 LEU A CB 1 12 . A ATOM 93 C CG . LEU A 1 12 ? 6.757 19.367 23.993 1.0 10.77 ? 12 LEU A CG 1 12 . A ATOM 94 C CD1 . LEU A 1 12 ? 8.031 19.783 23.231 1.0 11.45 ? 12 LEU A CD1 1 12 . A ATOM 95 C CD2 . LEU A 1 12 ? 5.950 18.265 23.241 1.0 10.91 ? 12 LEU A CD2 1 12 . A ATOM 96 N N . ALA A 1 13 ? 7.222 16.460 27.357 1.0 8.95 ? 13 ALA A N 1 13 . A ATOM 97 C CA . ALA A 1 13 ? 8.229 15.734 28.118 1.0 10.34 ? 13 ALA A CA 1 13 . A ATOM 98 C C . ALA A 1 13 ? 9.188 15.202 27.034 1.0 9.55 ? 13 ALA A C 1 13 . A ATOM 99 O O . ALA A 1 13 ? 8.750 14.736 25.990 1.0 10.08 ? 13 ALA A O 1 13 . A ATOM 100 C CB . ALA A 1 13 ? 7.644 14.590 28.893 1.0 10.1 ? 13 ALA A CB 1 13 . A ATOM 101 N N . ILE A 1 14 ? 10.490 15.357 27.235 1.0 9.65 ? 14 ILE A N 1 14 . A ATOM 102 C CA . ILE A 1 14 ? 11.459 14.840 26.265 1.0 10.1 ? 14 ILE A CA 1 14 . A ATOM 103 C C . ILE A 1 14 ? 12.304 13.840 27.005 1.0 10.26 ? 14 ILE A C 1 14 . A ATOM 104 O O . ILE A 1 14 ? 12.806 14.126 28.097 1.0 10.75 ? 14 ILE A O 1 14 . A ATOM 105 C CB . ILE A 1 14 ? 12.356 15.952 25.691 1.0 10.26 ? 14 ILE A CB 1 14 . A ATOM 106 C CG1 . ILE A 1 14 ? 11.533 16.957 24.863 1.0 11.84 ? 14 ILE A CG1 1 14 . A ATOM 107 C CG2 . ILE A 1 14 ? 13.498 15.331 24.865 1.0 10.66 ? 14 ILE A CG2 1 14 . A ATOM 108 C CD1 . ILE A 1 14 ? 10.720 16.392 23.751 1.0 14.42 ? 14 ILE A CD1 1 14 . A ATOM 109 N N . VAL A 1 15 ? 12.450 12.655 26.434 1.0 9.66 ? 15 VAL A N 1 15 . A ATOM 110 C CA . VAL A 1 15 ? 13.249 11.601 27.058 1.0 9.89 ? 15 VAL A CA 1 15 . A ATOM 111 C C . VAL A 1 15 ? 14.441 11.362 26.129 1.0 9.8 ? 15 VAL A C 1 15 . A ATOM 112 O O . VAL A 1 15 ? 14.258 11.159 24.925 1.0 9.87 ? 15 VAL A O 1 15 . A ATOM 113 C CB . VAL A 1 15 ? 12.415 10.307 27.207 1.0 10.71 ? 15 VAL A CB 1 15 . A ATOM 114 C CG1 . VAL A 1 15 ? 13.286 9.216 27.785 1.0 11.75 ? 15 VAL A CG1 1 15 . A ATOM 115 C CG2 . VAL A 1 15 ? 11.167 10.554 28.091 1.0 11.75 ? 15 VAL A CG2 1 15 . A ATOM 116 N N . VAL A 1 16 ? 15.659 11.390 26.669 1.0 9.12 ? 16 VAL A N 1 16 . A ATOM 117 C CA . VAL A 1 16 ? 16.872 11.164 25.879 1.0 9.79 ? 16 VAL A CA 1 16 . A ATOM 118 C C . VAL A 1 16 ? 17.358 9.775 26.287 1.0 10.11 ? 16 VAL A C 1 16 . A ATOM 119 O O . VAL A 1 16 ? 17.639 9.529 27.487 1.0 10.71 ? 16 VAL A O 1 16 . A ATOM 120 C CB . VAL A 1 16 ? 17.967 12.219 26.195 1.0 10.07 ? 16 VAL A CB 1 16 . A ATOM 121 C CG1 . VAL A 1 16 ? 19.294 11.864 25.510 1.0 10.88 ? 16 VAL A CG1 1 16 . A ATOM 122 C CG2 . VAL A 1 16 ? 17.534 13.564 25.699 1.0 10.86 ? 16 VAL A CG2 1 16 . A ATOM 123 N N . ASP A 1 17 ? 17.440 8.858 25.332 1.0 8.88 ? 17 ASP A N 1 17 . A ATOM 124 C CA . ASP A 1 17 ? 17.852 7.514 25.691 1.0 9.87 ? 17 ASP A CA 1 17 . A ATOM 125 C C . ASP A 1 17 ? 19.342 7.320 25.983 1.0 9.64 ? 17 ASP A C 1 17 . A ATOM 126 O O . ASP A 1 17 ? 20.150 8.268 25.912 1.0 10.64 ? 17 ASP A O 1 17 . A ATOM 127 C CB . ASP A 1 17 ? 17.264 6.500 24.682 1.0 9.95 ? 17 ASP A CB 1 17 . A ATOM 128 C CG . ASP A 1 17 ? 18.045 6.378 23.392 1.0 10.89 ? 17 ASP A CG 1 17 . A ATOM 129 O OD1 . ASP A 1 17 ? 17.680 5.448 22.646 1.0 10.93 ? 17 ASP A OD1 1 17 . A ATOM 130 O OD2 . ASP A 1 17 ? 18.987 7.147 23.123 1.0 11.01 ? 17 ASP A OD2 1 17 . A ATOM 131 N N . HIS A 1 18 ? 19.696 6.090 26.377 1.0 11.42 ? 18 HIS A N 1 18 . A ATOM 132 C CA . HIS A 1 18 ? 21.076 5.863 26.757 1.0 12.01 ? 18 HIS A CA 1 18 . A ATOM 133 C C . HIS A 1 18 ? 22.065 5.961 25.616 1.0 12.2 ? 18 HIS A C 1 18 . A ATOM 134 O O . HIS A 1 18 ? 23.188 6.445 25.786 1.0 12.45 ? 18 HIS A O 1 18 . A ATOM 135 C CB . HIS A 1 18 ? 21.231 4.528 27.491 1.0 13.83 ? 18 HIS A CB 1 18 . A ATOM 136 C CG . HIS A 1 18 ? 22.534 4.412 28.224 1.0 15.41 ? 18 HIS A CG 1 18 . A ATOM 137 N ND1 . HIS A 1 18 ? 22.895 5.285 29.236 1.0 17.51 ? 18 HIS A ND1 1 18 . A ATOM 138 C CD2 . HIS A 1 18 ? 23.574 3.563 28.075 1.0 17.11 ? 18 HIS A CD2 1 18 . A ATOM 139 C CE1 . HIS A 1 18 ? 24.108 4.974 29.669 1.0 17.69 ? 18 HIS A CE1 1 18 . A ATOM 140 N NE2 . HIS A 1 18 ? 24.541 3.936 28.980 1.0 16.34 ? 18 HIS A NE2 1 18 . A ATOM 141 N N . GLY A 1 19 ? 21.633 5.554 24.430 1.0 12.44 ? 19 GLY A N 1 19 . A ATOM 142 C CA . GLY A 1 19 ? 22.502 5.644 23.269 1.0 12.51 ? 19 GLY A CA 1 19 . A ATOM 143 C C . GLY A 1 19 ? 22.782 7.108 22.944 1.0 12.33 ? 19 GLY A C 1 19 . A ATOM 144 O O . GLY A 1 19 ? 23.906 7.478 22.603 1.0 12.12 ? 19 GLY A O 1 19 . A ATOM 145 N N . MET A 1 20 ? 21.759 7.953 23.032 1.0 12.36 ? 20 MET A N 1 20 . A ATOM 146 C CA . MET A 1 20 ? 21.986 9.377 22.770 1.0 13.04 ? 20 MET A CA 1 20 . A ATOM 147 C C . MET A 1 20 ? 22.872 10.007 23.869 1.0 13.16 ? 20 MET A C 1 20 . A ATOM 148 O O . MET A 1 20 ? 23.712 10.873 23.590 1.0 12.54 ? 20 MET A O 1 20 . A ATOM 149 C CB . MET A 1 20 ? 20.657 10.107 22.698 1.0 14.43 ? 20 MET A CB 1 20 . A ATOM 150 C CG . MET A 1 20 ? 20.848 11.581 22.401 1.0 15.14 ? 20 MET A CG 1 20 . A ATOM 151 S SD . MET A 1 20 ? 19.335 12.312 21.638 1.0 15.75 ? 20 MET A SD 1 20 . A ATOM 152 C CE . MET A 1 20 ? 19.905 14.047 21.570 1.0 15.67 ? 20 MET A CE 1 20 . A ATOM 153 N N . TYR A 1 21 ? 22.682 9.558 25.100 1.0 13.63 ? 21 TYR A N 1 21 . A ATOM 154 C CA . TYR A 1 21 ? 23.477 10.030 26.235 1.0 15.55 ? 21 TYR A CA 1 21 . A ATOM 155 C C . TYR A 1 21 ? 24.944 9.761 25.948 1.0 15.88 ? 21 TYR A C 1 21 . A ATOM 156 O O . TYR A 1 21 ? 25.792 10.653 26.055 1.0 16.14 ? 21 TYR A O 1 21 . A ATOM 157 C CB . TYR A 1 21 ? 23.035 9.306 27.507 1.0 15.94 ? 21 TYR A CB 1 21 . A ATOM 158 C CG . TYR A 1 21 ? 23.862 9.617 28.747 1.0 18.09 ? 21 TYR A CG 1 21 . A ATOM 159 C CD1 . TYR A 1 21 ? 23.727 10.827 29.419 1.0 18.7 ? 21 TYR A CD1 1 21 . A ATOM 160 C CD2 . TYR A 1 21 ? 24.759 8.673 29.262 1.0 18.77 ? 21 TYR A CD2 1 21 . A ATOM 161 C CE1 . TYR A 1 21 ? 24.469 11.093 30.597 1.0 20.21 ? 21 TYR A CE1 1 21 . A ATOM 162 C CE2 . TYR A 1 21 ? 25.492 8.930 30.426 1.0 19.14 ? 21 TYR A CE2 1 21 . A ATOM 163 C CZ . TYR A 1 21 ? 25.336 10.137 31.082 1.0 20.01 ? 21 TYR A CZ 1 21 . A ATOM 164 O OH . TYR A 1 21 ? 26.031 10.393 32.261 1.0 21.44 ? 21 TYR A OH 1 21 . A ATOM 165 N N . THR A 1 22 ? 25.225 8.531 25.529 1.0 15.78 ? 22 THR A N 1 22 . A ATOM 166 C CA . THR A 1 22 ? 26.572 8.095 25.173 1.0 16.21 ? 22 THR A CA 1 22 . A ATOM 167 C C . THR A 1 22 ? 27.128 8.896 24.000 1.0 16.12 ? 22 THR A C 1 22 . A ATOM 168 O O . THR A 1 22 ? 28.295 9.304 24.004 1.0 16.41 ? 22 THR A O 1 22 . A ATOM 169 C CB . THR A 1 22 ? 26.541 6.587 24.822 1.0 17.34 ? 22 THR A CB 1 22 . A ATOM 170 O OG1 . THR A 1 22 ? 26.107 5.872 25.978 1.0 17.76 ? 22 THR A OG1 1 22 . A ATOM 171 C CG2 . THR A 1 22 ? 27.930 6.083 24.397 1.0 18.52 ? 22 THR A CG2 1 22 . A ATOM 172 N N . LYS A 1 23 ? 26.289 9.123 22.988 1.0 15.14 ? 23 LYS A N 1 23 . A ATOM 173 C CA . LYS A 1 23 ? 26.679 9.866 21.801 1.0 14.51 ? 23 LYS A CA 1 23 . A ATOM 174 C C . LYS A 1 23 ? 27.213 11.236 22.179 1.0 14.86 ? 23 LYS A C 1 23 . A ATOM 175 O O . LYS A 1 23 ? 28.189 11.687 21.615 1.0 16.16 ? 23 LYS A O 1 23 . A ATOM 176 C CB . LYS A 1 23 ? 25.476 10.021 20.853 1.0 13.26 ? 23 LYS A CB 1 23 . A ATOM 177 C CG . LYS A 1 23 ? 25.747 10.861 19.616 1.0 12.05 ? 23 LYS A CG 1 23 . A ATOM 178 C CD . LYS A 1 23 ? 24.509 10.878 18.692 1.0 13.5 ? 23 LYS A CD 1 23 . A ATOM 179 C CE . LYS A 1 23 ? 24.705 11.864 17.556 1.0 14.24 ? 23 LYS A CE 1 23 . A ATOM 180 N NZ . LYS A 1 23 ? 23.519 11.871 16.663 1.0 16.76 ? 23 LYS A NZ 1 23 . A ATOM 181 N N . TYR A 1 24 ? 26.550 11.894 23.118 1.0 16.12 ? 24 TYR A N 1 24 . A ATOM 182 C CA . TYR A 1 24 ? 26.973 13.216 23.547 1.0 17.04 ? 24 TYR A CA 1 24 . A ATOM 183 C C . TYR A 1 24 ? 27.928 13.194 24.745 1.0 18.69 ? 24 TYR A C 1 24 . A ATOM 184 O O . TYR A 1 24 ? 27.860 14.049 25.620 1.0 18.28 ? 24 TYR A O 1 24 . A ATOM 185 C CB . TYR A 1 24 ? 25.742 14.096 23.826 1.0 16.83 ? 24 TYR A CB 1 24 . A ATOM 186 C CG . TYR A 1 24 ? 25.058 14.493 22.528 1.0 16.66 ? 24 TYR A CG 1 24 . A ATOM 187 C CD1 . TYR A 1 24 ? 25.495 15.596 21.801 1.0 17.18 ? 24 TYR A CD1 1 24 . A ATOM 188 C CD2 . TYR A 1 24 ? 24.086 13.675 21.956 1.0 15.82 ? 24 TYR A CD2 1 24 . A ATOM 189 C CE1 . TYR A 1 24 ? 24.996 15.878 20.526 1.0 16.55 ? 24 TYR A CE1 1 24 . A ATOM 190 C CE2 . TYR A 1 24 ? 23.586 13.934 20.688 1.0 15.5 ? 24 TYR A CE2 1 24 . A ATOM 191 C CZ . TYR A 1 24 ? 24.036 15.030 19.971 1.0 16.12 ? 24 TYR A CZ 1 24 . A ATOM 192 O OH . TYR A 1 24 ? 23.562 15.264 18.695 1.0 15.76 ? 24 TYR A OH 1 24 . A ATOM 193 N N . SER A 1 25 ? 28.825 12.216 24.728 1.0 19.49 ? 25 SER A N 1 25 . A ATOM 194 C CA . SER A 1 25 ? 29.835 12.044 25.768 1.0 20.71 ? 25 SER A CA 1 25 . A ATOM 195 C C . SER A 1 25 ? 29.356 11.997 27.209 1.0 20.43 ? 25 SER A C 1 25 . A ATOM 196 O O . SER A 1 25 ? 30.071 12.435 28.126 1.0 19.57 ? 25 SER A O 1 25 . A ATOM 197 C CB . SER A 1 25 ? 30.900 13.113 25.589 1.0 22.24 ? 25 SER A CB 1 25 . A ATOM 198 O OG . SER A 1 25 ? 31.518 12.913 24.327 1.0 24.46 ? 25 SER A OG 1 25 . A ATOM 199 N N . SER A 1 26 ? 28.162 11.439 27.411 1.0 19.73 ? 26 SER A N 1 26 . A ATOM 200 C CA . SER A 1 26 ? 27.579 11.284 28.734 1.0 20.22 ? 26 SER A CA 1 26 . A ATOM 201 C C . SER A 1 26 ? 27.571 12.600 29.498 1.0 20.66 ? 26 SER A C 1 26 . A ATOM 202 O O . SER A 1 26 ? 27.681 12.616 30.732 1.0 20.52 ? 26 SER A O 1 26 . A ATOM 203 C CB . SER A 1 26 ? 28.372 10.222 29.509 1.0 20.33 ? 26 SER A CB 1 26 . A ATOM 204 O OG . SER A 1 26 ? 28.464 9.034 28.736 1.0 21.19 ? 26 SER A OG 1 26 . A ATOM 205 N N . ASN A 1 27 ? 27.429 13.695 28.749 1.0 20.74 ? 27 ASN A N 1 27 . A ATOM 206 C CA . ASN A 1 27 ? 27.438 15.055 29.285 1.0 21.21 ? 27 ASN A CA 1 27 . A ATOM 207 C C . ASN A 1 27 ? 26.010 15.605 29.402 1.0 20.95 ? 27 ASN A C 1 27 . A ATOM 208 O O . ASN A 1 27 ? 25.437 16.080 28.413 1.0 20.46 ? 27 ASN A O 1 27 . A ATOM 209 C CB . ASN A 1 27 ? 28.287 15.938 28.362 1.0 22.7 ? 27 ASN A CB 1 27 . A ATOM 210 C CG . ASN A 1 27 ? 28.483 17.350 28.879 1.0 24.42 ? 27 ASN A CG 1 27 . A ATOM 211 O OD1 . ASN A 1 27 ? 29.427 18.033 28.471 1.0 27.43 ? 27 ASN A OD1 1 27 . A ATOM 212 N ND2 . ASN A 1 27 ? 27.600 17.800 29.748 1.0 23.91 ? 27 ASN A ND2 1 27 . A ATOM 213 N N . PHE A 1 28 ? 25.459 15.529 30.605 1.0 20.5 ? 28 PHE A N 1 28 . A ATOM 214 C CA . PHE A 1 28 ? 24.114 16.019 30.874 1.0 21.1 ? 28 PHE A CA 1 28 . A ATOM 215 C C . PHE A 1 28 ? 23.925 17.484 30.468 1.0 20.84 ? 28 PHE A C 1 28 . A ATOM 216 O O . PHE A 1 28 ? 22.926 17.830 29.855 1.0 18.81 ? 28 PHE A O 1 28 . A ATOM 217 C CB . PHE A 1 28 ? 23.762 15.855 32.358 1.0 22.72 ? 28 PHE A CB 1 28 . A ATOM 218 C CG . PHE A 1 28 ? 22.384 16.337 32.699 1.0 24.36 ? 28 PHE A CG 1 28 . A ATOM 219 C CD1 . PHE A 1 28 ? 21.268 15.547 32.424 1.0 25.1 ? 28 PHE A CD1 1 28 . A ATOM 220 C CD2 . PHE A 1 28 ? 22.192 17.614 33.235 1.0 24.95 ? 28 PHE A CD2 1 28 . A ATOM 221 C CE1 . PHE A 1 28 ? 19.980 16.017 32.669 1.0 25.38 ? 28 PHE A CE1 1 28 . A ATOM 222 C CE2 . PHE A 1 28 ? 20.909 18.100 33.487 1.0 25.42 ? 28 PHE A CE2 1 28 . A ATOM 223 C CZ . PHE A 1 28 ? 19.798 17.302 33.203 1.0 25.48 ? 28 PHE A CZ 1 28 . A ATOM 224 N N . LYS A 1 29 ? 24.880 18.351 30.784 1.0 20.61 ? 29 LYS A N 1 29 . A ATOM 225 C CA . LYS A 1 29 ? 24.730 19.764 30.428 1.0 20.9 ? 29 LYS A CA 1 29 . A ATOM 226 C C . LYS A 1 29 ? 24.544 20.004 28.935 1.0 19.75 ? 29 LYS A C 1 29 . A ATOM 227 O O . LYS A 1 29 ? 23.652 20.764 28.508 1.0 18.43 ? 29 LYS A O 1 29 . A ATOM 228 C CB . LYS A 1 29 ? 25.948 20.571 30.882 1.0 23.7 ? 29 LYS A CB 1 29 . A ATOM 229 C CG . LYS A 1 29 ? 26.153 20.551 32.357 1.0 27.63 ? 29 LYS A CG 1 29 . A ATOM 230 C CD . LYS A 1 29 ? 24.942 21.045 33.103 1.0 30.41 ? 29 LYS A CD 1 29 . A ATOM 231 C CE . LYS A 1 29 ? 25.203 20.910 34.585 1.0 32.03 ? 29 LYS A CE 1 29 . A ATOM 232 N NZ . LYS A 1 29 ? 25.556 19.487 34.925 1.0 33.63 ? 29 LYS A NZ 1 29 . A ATOM 233 N N . LYS A 1 30 ? 25.419 19.374 28.164 1.0 18.17 ? 30 LYS A N 1 30 . A ATOM 234 C CA . LYS A 1 30 ? 25.416 19.485 26.725 1.0 17.05 ? 30 LYS A CA 1 30 . A ATOM 235 C C . LYS A 1 30 ? 24.080 18.950 26.198 1.0 15.52 ? 30 LYS A C 1 30 . A ATOM 236 O O . LYS A 1 30 ? 23.494 19.528 25.301 1.0 14.73 ? 30 LYS A O 1 30 . A ATOM 237 C CB . LYS A 1 30 ? 26.582 18.676 26.145 1.0 19.65 ? 30 LYS A CB 1 30 . A ATOM 238 C CG . LYS A 1 30 ? 26.675 18.670 24.640 1.0 22.79 ? 30 LYS A CG 1 30 . A ATOM 239 C CD . LYS A 1 30 ? 27.840 17.800 24.142 1.0 25.76 ? 30 LYS A CD 1 30 . A ATOM 240 C CE . LYS A 1 30 ? 29.192 18.383 24.520 1.0 27.64 ? 30 LYS A CE 1 30 . A ATOM 241 N NZ . LYS A 1 30 ? 30.298 17.661 23.845 1.0 29.21 ? 30 LYS A NZ 1 30 . A ATOM 242 N N . ILE A 1 31 ? 23.632 17.828 26.739 1.0 14.46 ? 31 ILE A N 1 31 . A ATOM 243 C CA . ILE A 1 31 ? 22.349 17.250 26.301 1.0 13.32 ? 31 ILE A CA 1 31 . A ATOM 244 C C . ILE A 1 31 ? 21.186 18.190 26.620 1.0 12.81 ? 31 ILE A C 1 31 . A ATOM 245 O O . ILE A 1 31 ? 20.319 18.446 25.765 1.0 12.14 ? 31 ILE A O 1 31 . A ATOM 246 C CB . ILE A 1 31 ? 22.100 15.915 26.978 1.0 14.26 ? 31 ILE A CB 1 31 . A ATOM 247 C CG1 . ILE A 1 31 ? 23.154 14.921 26.492 1.0 15.69 ? 31 ILE A CG1 1 31 . A ATOM 248 C CG2 . ILE A 1 31 ? 20.676 15.417 26.690 1.0 14.05 ? 31 ILE A CG2 1 31 . A ATOM 249 C CD1 . ILE A 1 31 ? 23.224 13.631 27.311 1.0 16.86 ? 31 ILE A CD1 1 31 . A ATOM 250 N N . ARG A 1 32 ? 21.174 18.733 27.832 1.0 11.94 ? 32 ARG A N 1 32 . A ATOM 251 C CA . ARG A 1 32 ? 20.087 19.626 28.225 1.0 12.65 ? 32 ARG A CA 1 32 . A ATOM 252 C C . ARG A 1 32 ? 20.057 20.859 27.331 1.0 12.01 ? 32 ARG A C 1 32 . A ATOM 253 O O . ARG A 1 32 ? 18.984 21.284 26.898 1.0 11.37 ? 32 ARG A O 1 32 . A ATOM 254 C CB . ARG A 1 32 ? 20.224 20.004 29.711 1.0 13.61 ? 32 ARG A CB 1 32 . A ATOM 255 C CG . ARG A 1 32 ? 19.018 20.789 30.249 1.0 17.45 ? 32 ARG A CG 1 32 . A ATOM 256 C CD . ARG A 1 32 ? 19.154 21.096 31.727 1.0 21.38 ? 32 ARG A CD 1 32 . A ATOM 257 N NE . ARG A 1 32 ? 20.408 21.793 31.972 1.0 26.29 ? 32 ARG A NE 1 32 . A ATOM 258 C CZ . ARG A 1 32 ? 20.762 22.310 33.143 1.0 29.22 ? 32 ARG A CZ 1 32 . A ATOM 259 N NH1 . ARG A 1 32 ? 19.943 22.217 34.185 1.0 30.69 ? 32 ARG A NH1 1 32 . A ATOM 260 N NH2 . ARG A 1 32 ? 21.954 22.888 33.271 1.0 31.01 ? 32 ARG A NH2 1 32 . A ATOM 261 N N . LYS A 1 33 ? 21.225 21.417 26.994 1.0 11.98 ? 33 LYS A N 1 33 . A ATOM 262 C CA . LYS A 1 33 ? 21.306 22.581 26.109 1.0 11.91 ? 33 LYS A CA 1 33 . A ATOM 263 C C . LYS A 1 33 ? 20.739 22.244 24.730 1.0 11.72 ? 33 LYS A C 1 33 . A ATOM 264 O O . LYS A 1 33 ? 19.980 23.042 24.146 1.0 10.72 ? 33 LYS A O 1 33 . A ATOM 265 C CB . LYS A 1 33 ? 22.762 23.025 25.917 1.0 15.64 ? 33 LYS A CB 1 33 . A ATOM 266 C CG . LYS A 1 33 ? 22.951 24.180 24.955 1.0 20.86 ? 33 LYS A CG 1 33 . A ATOM 267 C CD . LYS A 1 33 ? 24.398 24.266 24.467 1.0 24.84 ? 33 LYS A CD 1 33 . A ATOM 268 C CE . LYS A 1 33 ? 24.586 25.307 23.366 1.0 26.15 ? 33 LYS A CE 1 33 . A ATOM 269 N NZ . LYS A 1 33 ? 24.146 26.687 23.732 1.0 29.69 ? 33 LYS A NZ 1 33 . A ATOM 270 N N . ARG A 1 34 ? 21.112 21.072 24.219 1.0 10.53 ? 34 ARG A N 1 34 . A ATOM 271 C CA . ARG A 1 34 ? 20.629 20.654 22.913 1.0 10.56 ? 34 ARG A CA 1 34 . A ATOM 272 C C . ARG A 1 34 ? 19.107 20.489 22.927 1.0 8.92 ? 34 ARG A C 1 34 . A ATOM 273 O O . ARG A 1 34 ? 18.432 20.960 22.006 1.0 9.13 ? 34 ARG A O 1 34 . A ATOM 274 C CB . ARG A 1 34 ? 21.306 19.342 22.477 1.0 11.43 ? 34 ARG A CB 1 34 . A ATOM 275 C CG . ARG A 1 34 ? 20.914 18.970 21.026 1.0 12.86 ? 34 ARG A CG 1 34 . A ATOM 276 C CD . ARG A 1 34 ? 21.648 17.728 20.559 1.0 14.66 ? 34 ARG A CD 1 34 . A ATOM 277 N NE . ARG A 1 34 ? 21.238 17.267 19.229 1.0 14.41 ? 34 ARG A NE 1 34 . A ATOM 278 C CZ . ARG A 1 34 ? 21.744 17.679 18.067 1.0 13.86 ? 34 ARG A CZ 1 34 . A ATOM 279 N NH1 . ARG A 1 34 ? 22.702 18.607 18.014 1.0 14.26 ? 34 ARG A NH1 1 34 . A ATOM 280 N NH2 . ARG A 1 34 ? 21.323 17.094 16.937 1.0 13.8 ? 34 ARG A NH2 1 34 . A ATOM 281 N N . VAL A 1 35 ? 18.577 19.840 23.953 1.0 8.31 ? 35 VAL A N 1 35 . A ATOM 282 C CA . VAL A 1 35 ? 17.120 19.673 24.058 1.0 7.96 ? 35 VAL A CA 1 35 . A ATOM 283 C C . VAL A 1 35 ? 16.401 21.000 24.148 1.0 8.02 ? 35 VAL A C 1 35 . A ATOM 284 O O . VAL A 1 35 ? 15.352 21.207 23.505 1.0 8.38 ? 35 VAL A O 1 35 . A ATOM 285 C CB . VAL A 1 35 ? 16.765 18.794 25.265 1.0 8.71 ? 35 VAL A CB 1 35 . A ATOM 286 C CG1 . VAL A 1 35 ? 15.273 18.780 25.505 1.0 10.48 ? 35 VAL A CG1 1 35 . A ATOM 287 C CG2 . VAL A 1 35 ? 17.283 17.371 24.959 1.0 9.35 ? 35 VAL A CG2 1 35 . A ATOM 288 N N . HIS A 1 36 ? 16.927 21.925 24.954 1.0 8.37 ? 36 HIS A N 1 36 . A ATOM 289 C CA . HIS A 1 36 ? 16.304 23.248 25.017 1.0 7.57 ? 36 HIS A CA 1 36 . A ATOM 290 C C . HIS A 1 36 ? 16.313 23.944 23.640 1.0 8.14 ? 36 HIS A C 1 36 . A ATOM 291 O O . HIS A 1 36 ? 15.305 24.570 23.239 1.0 8.4 ? 36 HIS A O 1 36 . A ATOM 292 C CB . HIS A 1 36 ? 17.017 24.131 26.053 1.0 7.31 ? 36 HIS A CB 1 36 . A ATOM 293 C CG . HIS A 1 36 ? 16.544 23.915 27.458 1.0 7.95 ? 36 HIS A CG 1 36 . A ATOM 294 N ND1 . HIS A 1 36 ? 16.057 24.943 28.242 1.0 8.89 ? 36 HIS A ND1 1 36 . A ATOM 295 C CD2 . HIS A 1 36 ? 16.451 22.794 28.210 1.0 9.29 ? 36 HIS A CD2 1 36 . A ATOM 296 C CE1 . HIS A 1 36 ? 15.680 24.459 29.416 1.0 9.36 ? 36 HIS A CE1 1 36 . A ATOM 297 N NE2 . HIS A 1 36 ? 15.909 23.155 29.422 1.0 10.33 ? 36 HIS A NE2 1 36 . A ATOM 298 N N . GLN A 1 37 ? 17.414 23.831 22.882 1.0 8.02 ? 37 GLN A N 1 37 . A ATOM 299 C CA . GLN A 1 37 ? 17.452 24.452 21.573 1.0 8.72 ? 37 GLN A CA 1 37 . A ATOM 300 C C . GLN A 1 37 ? 16.404 23.823 20.640 1.0 7.93 ? 37 GLN A C 1 37 . A ATOM 301 O O . GLN A 1 37 ? 15.809 24.507 19.820 1.0 8.92 ? 37 GLN A O 1 37 . A ATOM 302 C CB . GLN A 1 37 ? 18.856 24.337 20.940 1.0 9.93 ? 37 GLN A CB 1 37 . A ATOM 303 C CG . GLN A 1 37 ? 19.017 25.352 19.809 1.0 13.36 ? 37 GLN A CG 1 37 . A ATOM 304 C CD . GLN A 1 37 ? 20.292 25.220 19.023 1.0 14.44 ? 37 GLN A CD 1 37 . A ATOM 305 O OE1 . GLN A 1 37 ? 20.284 25.307 17.797 1.0 14.34 ? 37 GLN A OE1 1 37 . A ATOM 306 N NE2 . GLN A 1 37 ? 21.406 25.025 19.726 1.0 16.03 ? 37 GLN A NE2 1 37 . A ATOM 307 N N . MET A 1 38 ? 16.182 22.528 20.795 1.0 8.87 ? 38 MET A N 1 38 . A ATOM 308 C CA . MET A 1 38 ? 15.154 21.862 20.008 1.0 8.77 ? 38 MET A CA 1 38 . A ATOM 309 C C . MET A 1 38 ? 13.785 22.416 20.372 1.0 8.05 ? 38 MET A C 1 38 . A ATOM 310 O O . MET A 1 38 ? 12.991 22.774 19.505 1.0 7.99 ? 38 MET A O 1 38 . A ATOM 311 C CB . MET A 1 38 ? 15.169 20.370 20.271 1.0 9.36 ? 38 MET A CB 1 38 . A ATOM 312 C CG . MET A 1 38 ? 16.468 19.747 19.879 1.0 14.04 ? 38 MET A CG 1 38 . A ATOM 313 S SD . MET A 1 38 ? 16.556 18.039 20.426 1.0 17.95 ? 38 MET A SD 1 38 . A ATOM 314 C CE . MET A 1 38 ? 17.502 17.372 19.111 1.0 19.07 ? 38 MET A CE 1 38 . A ATOM 315 N N . VAL A 1 39 ? 13.500 22.513 21.662 1.0 6.63 ? 39 VAL A N 1 39 . A ATOM 316 C CA . VAL A 1 39 ? 12.207 23.023 22.100 1.0 8.05 ? 39 VAL A CA 1 39 . A ATOM 317 C C . VAL A 1 39 ? 11.980 24.463 21.617 1.0 7.0 ? 39 VAL A C 1 39 . A ATOM 318 O O . VAL A 1 39 ? 10.891 24.827 21.172 1.0 7.88 ? 39 VAL A O 1 39 . A ATOM 319 C CB . VAL A 1 39 ? 12.075 22.911 23.634 1.0 7.95 ? 39 VAL A CB 1 39 . A ATOM 320 C CG1 . VAL A 1 39 ? 10.788 23.620 24.097 1.0 9.83 ? 39 VAL A CG1 1 39 . A ATOM 321 C CG2 . VAL A 1 39 ? 11.993 21.447 24.023 1.0 10.18 ? 39 VAL A CG2 1 39 . A ATOM 322 N N . SER A 1 40 ? 13.022 25.295 21.678 1.0 6.99 ? 40 SER A N 1 40 . A ATOM 323 C CA . SER A 1 40 ? 12.884 26.664 21.215 1.0 7.14 ? 40 SER A CA 1 40 . A ATOM 324 C C . SER A 1 40 ? 12.491 26.668 19.735 1.0 7.03 ? 40 SER A C 1 40 . A ATOM 325 O O . SER A 1 40 ? 11.696 27.487 19.307 1.0 7.81 ? 40 SER A O 1 40 . A ATOM 326 C CB . SER A 1 40 ? 14.183 27.464 21.403 1.0 8.63 ? 40 SER A CB 1 40 . A ATOM 327 O OG . SER A 1 40 ? 14.460 27.564 22.787 1.0 11.99 ? 40 SER A OG 1 40 . A ATOM 328 N N . ASN A 1 41 ? 13.032 25.724 18.956 1.0 7.03 ? 41 ASN A N 1 41 . A ATOM 329 C CA . ASN A 1 41 ? 12.653 25.656 17.551 1.0 6.71 ? 41 ASN A CA 1 41 . A ATOM 330 C C . ASN A 1 41 ? 11.215 25.138 17.374 1.0 5.9 ? 41 ASN A C 1 41 . A ATOM 331 O O . ASN A 1 41 ? 10.495 25.634 16.514 1.0 6.47 ? 41 ASN A O 1 41 . A ATOM 332 C CB . ASN A 1 41 ? 13.656 24.757 16.785 1.0 6.72 ? 41 ASN A CB 1 41 . A ATOM 333 C CG . ASN A 1 41 ? 14.881 25.527 16.343 1.0 6.12 ? 41 ASN A CG 1 41 . A ATOM 334 O OD1 . ASN A 1 41 ? 14.805 26.398 15.460 1.0 7.91 ? 41 ASN A OD1 1 41 . A ATOM 335 N ND2 . ASN A 1 41 ? 16.012 25.231 16.960 1.0 8.46 ? 41 ASN A ND2 1 41 . A ATOM 336 N N . ILE A 1 42 ? 10.829 24.125 18.139 1.0 6.32 ? 42 ILE A N 1 42 . A ATOM 337 C CA . ILE A 1 42 ? 9.445 23.624 18.046 1.0 6.2 ? 42 ILE A CA 1 42 . A ATOM 338 C C . ILE A 1 42 ? 8.501 24.764 18.408 1.0 7.52 ? 42 ILE A C 1 42 . A ATOM 339 O O . ILE A 1 42 ? 7.506 24.966 17.731 1.0 7.6 ? 42 ILE A O 1 42 . A ATOM 340 C CB . ILE A 1 42 ? 9.232 22.433 18.994 1.0 5.87 ? 42 ILE A CB 1 42 . A ATOM 341 C CG1 . ILE A 1 42 ? 10.174 21.295 18.624 1.0 7.56 ? 42 ILE A CG1 1 42 . A ATOM 342 C CG2 . ILE A 1 42 ? 7.751 21.992 18.951 1.0 7.19 ? 42 ILE A CG2 1 42 . A ATOM 343 C CD1 . ILE A 1 42 ? 10.227 20.226 19.714 1.0 7.79 ? 42 ILE A CD1 1 42 . A ATOM 344 N N . ASN A 1 43 ? 8.823 25.523 19.457 1.0 6.18 ? 43 ASN A N 1 43 . A ATOM 345 C CA . ASN A 1 43 ? 7.984 26.652 19.860 1.0 7.5 ? 43 ASN A CA 1 43 . A ATOM 346 C C . ASN A 1 43 ? 7.861 27.673 18.714 1.0 7.73 ? 43 ASN A C 1 43 . A ATOM 347 O O . ASN A 1 43 ? 6.786 28.155 18.419 1.0 7.83 ? 43 ASN A O 1 43 . A ATOM 348 C CB . ASN A 1 43 ? 8.579 27.332 21.092 1.0 8.23 ? 43 ASN A CB 1 43 . A ATOM 349 C CG . ASN A 1 43 ? 7.707 28.433 21.608 1.0 10.56 ? 43 ASN A CG 1 43 . A ATOM 350 O OD1 . ASN A 1 43 ? 6.612 28.191 22.090 1.0 9.95 ? 43 ASN A OD1 1 43 . A ATOM 351 N ND2 . ASN A 1 43 ? 8.170 29.682 21.426 1.0 11.17 ? 43 ASN A ND2 1 43 . A ATOM 352 N N . GLU A 1 44 ? 8.975 27.978 18.057 1.0 6.9 ? 44 GLU A N 1 44 . A ATOM 353 C CA . GLU A 1 44 ? 8.953 28.930 16.948 1.0 7.04 ? 44 GLU A CA 1 44 . A ATOM 354 C C . GLU A 1 44 ? 8.069 28.435 15.813 1.0 7.51 ? 44 GLU A C 1 44 . A ATOM 355 O O . GLU A 1 44 ? 7.288 29.182 15.255 1.0 8.56 ? 44 GLU A O 1 44 . A ATOM 356 C CB . GLU A 1 44 ? 10.398 29.183 16.467 1.0 8.33 ? 44 GLU A CB 1 44 . A ATOM 357 C CG . GLU A 1 44 ? 10.512 29.921 15.126 1.0 9.05 ? 44 GLU A CG 1 44 . A ATOM 358 C CD . GLU A 1 44 ? 9.872 31.295 15.145 1.0 8.98 ? 44 GLU A CD 1 44 . A ATOM 359 O OE1 . GLU A 1 44 ? 9.599 31.853 16.237 1.0 9.14 ? 44 GLU A OE1 1 44 . A ATOM 360 O OE2 . GLU A 1 44 ? 9.663 31.815 14.025 1.0 11.05 ? 44 GLU A OE2 1 44 . A ATOM 361 N N . MET A 1 45 ? 8.208 27.158 15.487 1.0 8.05 ? 45 MET A N 1 45 . A ATOM 362 C CA . MET A 1 45 ? 7.416 26.590 14.398 1.0 7.89 ? 45 MET A CA 1 45 . A ATOM 363 C C . MET A 1 45 ? 5.938 26.538 14.718 1.0 7.83 ? 45 MET A C 1 45 . A ATOM 364 O O . MET A 1 45 ? 5.136 26.596 13.809 1.0 8.52 ? 45 MET A O 1 45 . A ATOM 365 C CB . MET A 1 45 ? 7.954 25.215 14.036 1.0 7.55 ? 45 MET A CB 1 45 . A ATOM 366 C CG . MET A 1 45 ? 9.260 25.310 13.247 1.0 8.18 ? 45 MET A CG 1 45 . A ATOM 367 S SD . MET A 1 45 ? 9.960 23.718 12.733 1.0 9.04 ? 45 MET A SD 1 45 . A ATOM 368 C CE . MET A 1 45 ? 11.120 23.402 14.118 1.0 8.05 ? 45 MET A CE 1 45 . A ATOM 369 N N . CYS A 1 46 ? 5.565 26.438 15.998 1.0 7.27 ? 46 CYS A N 1 46 . A ATOM 370 C CA . CYS A 1 46 ? 4.153 26.407 16.335 1.0 8.75 ? 46 CYS A CA 1 46 . A ATOM 371 C C . CYS A 1 46 ? 3.544 27.787 16.551 1.0 8.77 ? 46 CYS A C 1 46 . A ATOM 372 O O . CYS A 1 46 ? 2.345 27.894 16.774 1.0 9.35 ? 46 CYS A O 1 46 . A ATOM 373 C CB . CYS A 1 46 ? 3.921 25.562 17.587 1.0 7.86 ? 46 CYS A CB 1 46 . A ATOM 374 S SG . CYS A 1 46 ? 4.226 23.781 17.281 1.0 8.98 ? 46 CYS A SG 1 46 . A ATOM 375 N N . ARG A 1 47 ? 4.368 28.837 16.494 1.0 11.01 ? 47 ARG A N 1 47 . A ATOM 376 C CA . ARG A 1 47 ? 3.875 30.198 16.710 1.0 12.69 ? 47 ARG A CA 1 47 . A ATOM 377 C C . ARG A 1 47 ? 2.715 30.532 15.779 1.0 12.57 ? 47 ARG A C 1 47 . A ATOM 378 O O . ARG A 1 47 ? 1.714 31.068 16.234 1.0 13.28 ? 47 ARG A O 1 47 . A ATOM 379 C CB . ARG A 1 47 ? 5.054 31.196 16.587 1.0 14.46 ? 47 ARG A CB 1 47 . A ATOM 380 C CG . ARG A 1 47 ? 4.805 32.646 17.007 1.0 16.87 ? 47 ARG A CG 1 47 . A ATOM 381 C CD . ARG A 1 47 ? 6.184 33.343 17.154 1.0 15.42 ? 47 ARG A CD 1 47 . A ATOM 382 N NE . ARG A 1 47 ? 7.048 33.195 15.965 1.0 17.37 ? 47 ARG A NE 1 47 . A ATOM 383 C CZ . ARG A 1 47 ? 6.998 33.998 14.896 1.0 16.55 ? 47 ARG A CZ 1 47 . A ATOM 384 N NH1 . ARG A 1 47 ? 6.122 35.003 14.848 1.0 16.07 ? 47 ARG A NH1 1 47 . A ATOM 385 N NH2 . ARG A 1 47 ? 7.850 33.835 13.904 1.0 16.39 ? 47 ARG A NH2 1 47 . A ATOM 386 N N . PRO A 1 48 ? 2.791 30.176 14.471 1.0 12.63 ? 48 PRO A N 1 48 . A ATOM 387 C CA . PRO A 1 48 ? 1.647 30.510 13.629 1.0 13.01 ? 48 PRO A CA 1 48 . A ATOM 388 C C . PRO A 1 48 ? 0.370 29.690 13.904 1.0 12.8 ? 48 PRO A C 1 48 . A ATOM 389 O O . PRO A 1 48 ? -0.708 29.977 13.343 1.0 14.2 ? 48 PRO A O 1 48 . A ATOM 390 C CB . PRO A 1 48 ? 2.184 30.304 12.193 1.0 13.12 ? 48 PRO A CB 1 48 . A ATOM 391 C CG . PRO A 1 48 ? 3.644 30.463 12.336 1.0 13.42 ? 48 PRO A CG 1 48 . A ATOM 392 C CD . PRO A 1 48 ? 3.956 29.785 13.654 1.0 12.95 ? 48 PRO A CD 1 48 . A ATOM 393 N N . LEU A 1 49 ? 0.472 28.623 14.711 1.0 11.23 ? 49 LEU A N 1 49 . A ATOM 394 C CA . LEU A 1 49 ? -0.701 27.827 15.069 1.0 11.57 ? 49 LEU A CA 1 49 . A ATOM 395 C C . LEU A 1 49 ? -1.258 28.306 16.410 1.0 10.66 ? 49 LEU A C 1 49 . A ATOM 396 O O . LEU A 1 49 ? -2.266 27.795 16.874 1.0 10.9 ? 49 LEU A O 1 49 . A ATOM 397 C CB . LEU A 1 49 ? -0.343 26.331 15.198 1.0 10.89 ? 49 LEU A CB 1 49 . A ATOM 398 C CG . LEU A 1 49 ? 0.225 25.599 13.964 1.0 11.13 ? 49 LEU A CG 1 49 . A ATOM 399 C CD1 . LEU A 1 49 ? 0.414 24.105 14.296 1.0 9.54 ? 49 LEU A CD1 1 49 . A ATOM 400 C CD2 . LEU A 1 49 ? -0.712 25.781 12.752 1.0 12.53 ? 49 LEU A CD2 1 49 . A ATOM 401 N N . ASN A 1 50 ? -0.590 29.292 17.002 1.0 10.71 ? 50 ASN A N 1 50 . A ATOM 402 C CA . ASN A 1 50 ? -0.955 29.858 18.300 1.0 10.89 ? 50 ASN A CA 1 50 . A ATOM 403 C C . ASN A 1 50 ? -0.905 28.801 19.403 1.0 11.42 ? 50 ASN A C 1 50 . A ATOM 404 O O . ASN A 1 50 ? -1.762 28.749 20.276 1.0 10.8 ? 50 ASN A O 1 50 . A ATOM 405 C CB . ASN A 1 50 ? -2.349 30.521 18.263 1.0 11.51 ? 50 ASN A CB 1 50 . A ATOM 406 C CG . ASN A 1 50 ? -2.492 31.598 19.320 1.0 13.37 ? 50 ASN A CG 1 50 . A ATOM 407 O OD1 . ASN A 1 50 ? -1.518 31.964 19.997 1.0 12.93 ? 50 ASN A OD1 1 50 . A ATOM 408 N ND2 . ASN A 1 50 ? -3.713 32.126 19.467 1.0 12.38 ? 50 ASN A ND2 1 50 . A ATOM 409 N N . ILE A 1 51 ? 0.143 27.975 19.375 1.0 11.09 ? 51 ILE A N 1 51 . A ATOM 410 C CA . ILE A 1 51 ? 0.303 26.941 20.397 1.0 10.53 ? 51 ILE A CA 1 51 . A ATOM 411 C C . ILE A 1 51 ? 1.589 27.273 21.122 1.0 9.92 ? 51 ILE A C 1 51 . A ATOM 412 O O . ILE A 1 51 ? 2.636 27.331 20.502 1.0 12.02 ? 51 ILE A O 1 51 . A ATOM 413 C CB . ILE A 1 51 ? 0.478 25.506 19.811 1.0 11.39 ? 51 ILE A CB 1 51 . A ATOM 414 C CG1 . ILE A 1 51 ? -0.725 25.111 18.945 1.0 10.85 ? 51 ILE A CG1 1 51 . A ATOM 415 C CG2 . ILE A 1 51 ? 0.612 24.489 20.976 1.0 11.62 ? 51 ILE A CG2 1 51 . A ATOM 416 C CD1 . ILE A 1 51 ? -0.489 23.784 18.161 1.0 12.57 ? 51 ILE A CD1 1 51 . A ATOM 417 N N . ALA A 1 52 ? 1.510 27.503 22.434 1.0 9.89 ? 52 ALA A N 1 52 . A ATOM 418 C CA . ALA A 1 52 ? 2.697 27.798 23.231 1.0 9.29 ? 52 ALA A CA 1 52 . A ATOM 419 C C . ALA A 1 52 ? 3.281 26.440 23.664 1.0 9.26 ? 52 ALA A C 1 52 . A ATOM 420 O O . ALA A 1 52 ? 2.600 25.620 24.274 1.0 9.57 ? 52 ALA A O 1 52 . A ATOM 421 C CB . ALA A 1 52 ? 2.320 28.659 24.479 1.0 10.37 ? 52 ALA A CB 1 52 . A ATOM 422 N N . ILE A 1 53 ? 4.552 26.223 23.337 1.0 9.03 ? 53 ILE A N 1 53 . A ATOM 423 C CA . ILE A 1 53 ? 5.223 24.965 23.630 1.0 9.31 ? 53 ILE A CA 1 53 . A ATOM 424 C C . ILE A 1 53 ? 6.178 25.129 24.806 1.0 10.0 ? 53 ILE A C 1 53 . A ATOM 425 O O . ILE A 1 53 ? 7.024 26.025 24.779 1.0 11.49 ? 53 ILE A O 1 53 . A ATOM 426 C CB . ILE A 1 53 ? 6.075 24.526 22.411 1.0 8.49 ? 53 ILE A CB 1 53 . A ATOM 427 C CG1 . ILE A 1 53 ? 5.221 24.402 21.149 1.0 9.22 ? 53 ILE A CG1 1 53 . A ATOM 428 C CG2 . ILE A 1 53 ? 6.732 23.186 22.680 1.0 10.72 ? 53 ILE A CG2 1 53 . A ATOM 429 C CD1 . ILE A 1 53 ? 4.227 23.174 21.172 1.0 11.02 ? 53 ILE A CD1 1 53 . A ATOM 430 N N . THR A 1 54 ? 6.043 24.293 25.832 1.0 9.57 ? 54 THR A N 1 54 . A ATOM 431 C CA . THR A 1 54 ? 6.972 24.334 26.970 1.0 10.22 ? 54 THR A CA 1 54 . A ATOM 432 C C . THR A 1 54 ? 7.531 22.964 27.252 1.0 10.09 ? 54 THR A C 1 54 . A ATOM 433 O O . THR A 1 54 ? 6.957 21.929 26.857 1.0 10.74 ? 54 THR A O 1 54 . A ATOM 434 C CB . THR A 1 54 ? 6.270 24.826 28.234 1.0 10.31 ? 54 THR A CB 1 54 . A ATOM 435 O OG1 . THR A 1 54 ? 5.047 24.081 28.433 1.0 11.44 ? 54 THR A OG1 1 54 . A ATOM 436 C CG2 . THR A 1 54 ? 5.978 26.326 28.095 1.0 12.06 ? 54 THR A CG2 1 54 . A ATOM 437 N N . LEU A 1 55 ? 8.710 22.947 27.869 1.0 8.32 ? 55 LEU A N 1 55 . A ATOM 438 C CA . LEU A 1 55 ? 9.342 21.719 28.270 1.0 9.07 ? 55 LEU A CA 1 55 . A ATOM 439 C C . LEU A 1 55 ? 9.003 21.521 29.726 1.0 9.49 ? 55 LEU A C 1 55 . A ATOM 440 O O . LEU A 1 55 ? 9.598 22.150 30.624 1.0 10.34 ? 55 LEU A O 1 55 . A ATOM 441 C CB . LEU A 1 55 ? 10.857 21.828 28.124 1.0 9.44 ? 55 LEU A CB 1 55 . A ATOM 442 C CG . LEU A 1 55 ? 11.615 20.587 28.578 1.0 11.19 ? 55 LEU A CG 1 55 . A ATOM 443 C CD1 . LEU A 1 55 ? 11.241 19.363 27.708 1.0 11.36 ? 55 LEU A CD1 1 55 . A ATOM 444 C CD2 . LEU A 1 55 ? 13.116 20.889 28.473 1.0 12.89 ? 55 LEU A CD2 1 55 . A ATOM 445 N N . ALA A 1 56 ? 8.040 20.648 29.970 1.0 9.37 ? 56 ALA A N 1 56 . A ATOM 446 C CA . ALA A 1 56 ? 7.617 20.312 31.315 1.0 9.9 ? 56 ALA A CA 1 56 . A ATOM 447 C C . ALA A 1 56 ? 8.569 19.362 32.024 1.0 10.73 ? 56 ALA A C 1 56 . A ATOM 448 O O . ALA A 1 56 ? 8.752 19.428 33.261 1.0 11.3 ? 56 ALA A O 1 56 . A ATOM 449 C CB . ALA A 1 56 ? 6.204 19.685 31.252 1.0 11.34 ? 56 ALA A CB 1 56 . A ATOM 450 N N . LEU A 1 57 ? 9.207 18.482 31.275 1.0 10.77 ? 57 LEU A N 1 57 . A ATOM 451 C CA . LEU A 1 57 ? 10.049 17.484 31.910 1.0 12.13 ? 57 LEU A CA 1 57 . A ATOM 452 C C . LEU A 1 57 ? 11.112 16.980 30.967 1.0 11.65 ? 57 LEU A C 1 57 . A ATOM 453 O O . LEU A 1 57 ? 10.838 16.748 29.799 1.0 11.32 ? 57 LEU A O 1 57 . A ATOM 454 C CB . LEU A 1 57 ? 9.171 16.304 32.335 1.0 14.15 ? 57 LEU A CB 1 57 . A ATOM 455 C CG . LEU A 1 57 ? 9.781 15.047 32.949 1.0 16.38 ? 57 LEU A CG 1 57 . A ATOM 456 C CD1 . LEU A 1 57 ? 10.462 15.376 34.292 1.0 19.07 ? 57 LEU A CD1 1 57 . A ATOM 457 C CD2 . LEU A 1 57 ? 8.670 14.033 33.144 1.0 18.13 ? 57 LEU A CD2 1 57 . A ATOM 458 N N . LEU A 1 58 ? 12.333 16.848 31.466 1.0 12.47 ? 58 LEU A N 1 58 . A ATOM 459 C CA . LEU A 1 58 ? 13.427 16.283 30.688 1.0 11.9 ? 58 LEU A CA 1 58 . A ATOM 460 C C . LEU A 1 58 ? 13.947 15.090 31.449 1.0 12.74 ? 58 LEU A C 1 58 . A ATOM 461 O O . LEU A 1 58 ? 14.325 15.204 32.620 1.0 13.78 ? 58 LEU A O 1 58 . A ATOM 462 C CB . LEU A 1 58 ? 14.578 17.261 30.473 1.0 12.04 ? 58 LEU A CB 1 58 . A ATOM 463 C CG . LEU A 1 58 ? 15.879 16.653 29.926 1.0 12.78 ? 58 LEU A CG 1 58 . A ATOM 464 C CD1 . LEU A 1 58 ? 15.695 16.038 28.513 1.0 13.0 ? 58 LEU A CD1 1 58 . A ATOM 465 C CD2 . LEU A 1 58 ? 16.942 17.756 29.900 1.0 13.58 ? 58 LEU A CD2 1 58 . A ATOM 466 N N . ASP A 1 59 ? 13.969 13.935 30.803 1.0 12.81 ? 59 ASP A N 1 59 . A ATOM 467 C CA . ASP A 1 59 ? 14.477 12.738 31.460 1.0 13.39 ? 59 ASP A CA 1 59 . A ATOM 468 C C . ASP A 1 59 ? 15.611 12.192 30.611 1.0 13.82 ? 59 ASP A C 1 59 . A ATOM 469 O O . ASP A 1 59 ? 15.393 11.874 29.446 1.0 13.08 ? 59 ASP A O 1 59 . A ATOM 470 C CB . ASP A 1 59 ? 13.361 11.682 31.596 1.0 15.25 ? 59 ASP A CB 1 59 . A ATOM 471 C CG . ASP A 1 59 ? 13.806 10.468 32.397 1.0 18.24 ? 59 ASP A CG 1 59 . A ATOM 472 O OD1 . ASP A 1 59 ? 14.793 10.614 33.149 1.0 21.1 ? 59 ASP A OD1 1 59 . A ATOM 473 O OD2 . ASP A 1 59 ? 13.182 9.382 32.304 1.0 19.83 ? 59 ASP A OD2 1 59 . A ATOM 474 N N . VAL A 1 60 ? 16.810 12.099 31.171 1.0 13.24 ? 60 VAL A N 1 60 . A ATOM 475 C CA . VAL A 1 60 ? 17.973 11.574 30.452 1.0 13.33 ? 60 VAL A CA 1 60 . A ATOM 476 C C . VAL A 1 60 ? 18.318 10.225 31.055 1.0 14.54 ? 60 VAL A C 1 60 . A ATOM 477 O O . VAL A 1 60 ? 18.586 10.132 32.272 1.0 14.8 ? 60 VAL A O 1 60 . A ATOM 478 C CB . VAL A 1 60 ? 19.162 12.567 30.570 1.0 13.02 ? 60 VAL A CB 1 60 . A ATOM 479 C CG1 . VAL A 1 60 ? 20.404 12.041 29.846 1.0 14.3 ? 60 VAL A CG1 1 60 . A ATOM 480 C CG2 . VAL A 1 60 ? 18.761 13.899 29.984 1.0 13.65 ? 60 VAL A CG2 1 60 . A ATOM 481 N N . TRP A 1 61 ? 18.281 9.168 30.233 1.0 13.8 ? 61 TRP A N 1 61 . A ATOM 482 C CA . TRP A 1 61 ? 18.569 7.816 30.706 1.0 14.05 ? 61 TRP A CA 1 61 . A ATOM 483 C C . TRP A 1 61 ? 20.069 7.615 30.762 1.0 15.43 ? 61 TRP A C 1 61 . A ATOM 484 O O . TRP A 1 61 ? 20.689 7.032 29.877 1.0 15.25 ? 61 TRP A O 1 61 . A ATOM 485 C CB . TRP A 1 61 ? 17.877 6.789 29.799 1.0 12.8 ? 61 TRP A CB 1 61 . A ATOM 486 C CG . TRP A 1 61 ? 16.389 6.829 29.881 1.0 11.94 ? 61 TRP A CG 1 61 . A ATOM 487 C CD1 . TRP A 1 61 ? 15.607 7.525 30.784 1.0 12.1 ? 61 TRP A CD1 1 61 . A ATOM 488 C CD2 . TRP A 1 61 ? 15.483 6.104 29.059 1.0 11.46 ? 61 TRP A CD2 1 61 . A ATOM 489 N NE1 . TRP A 1 61 ? 14.280 7.261 30.568 1.0 12.13 ? 61 TRP A NE1 1 61 . A ATOM 490 C CE2 . TRP A 1 61 ? 14.171 6.390 29.514 1.0 11.43 ? 61 TRP A CE2 1 61 . A ATOM 491 C CE3 . TRP A 1 61 ? 15.651 5.239 27.974 1.0 11.08 ? 61 TRP A CE3 1 61 . A ATOM 492 C CZ2 . TRP A 1 61 ? 13.028 5.838 28.916 1.0 11.77 ? 61 TRP A CZ2 1 61 . A ATOM 493 C CZ3 . TRP A 1 61 ? 14.528 4.690 27.384 1.0 11.05 ? 61 TRP A CZ3 1 61 . A ATOM 494 C CH2 . TRP A 1 61 ? 13.235 4.990 27.850 1.0 11.6 ? 61 TRP A CH2 1 61 . A ATOM 495 N N . SER A 1 62 ? 20.650 8.138 31.838 1.0 16.43 ? 62 SER A N 1 62 . A ATOM 496 C CA . SER A 1 62 ? 22.094 8.122 32.031 1.0 18.43 ? 62 SER A CA 1 62 . A ATOM 497 C C . SER A 1 62 ? 22.694 6.791 32.451 1.0 19.53 ? 62 SER A C 1 62 . A ATOM 498 O O . SER A 1 62 ? 23.910 6.632 32.411 1.0 20.53 ? 62 SER A O 1 62 . A ATOM 499 C CB . SER A 1 62 ? 22.473 9.190 33.064 1.0 19.38 ? 62 SER A CB 1 62 . A ATOM 500 O OG . SER A 1 62 ? 21.626 9.092 34.201 1.0 21.77 ? 62 SER A OG 1 62 . A ATOM 501 N N . GLU A 1 63 ? 21.859 5.841 32.847 1.0 20.3 ? 63 GLU A N 1 63 . A ATOM 502 C CA . GLU A 1 63 ? 22.387 4.543 33.274 1.0 21.67 ? 63 GLU A CA 1 63 . A ATOM 503 C C . GLU A 1 63 ? 22.103 3.409 32.287 1.0 20.9 ? 63 GLU A C 1 63 . A ATOM 504 O O . GLU A 1 63 ? 23.012 2.682 31.876 1.0 20.86 ? 63 GLU A O 1 63 . A ATOM 505 C CB . GLU A 1 63 ? 21.829 4.207 34.662 1.0 23.76 ? 63 GLU A CB 1 63 . A ATOM 506 C CG . GLU A 1 63 ? 22.195 5.256 35.710 1.0 29.06 ? 63 GLU A CG 1 63 . A ATOM 507 C CD . GLU A 1 63 ? 21.554 5.010 37.068 1.0 31.27 ? 63 GLU A CD 1 63 . A ATOM 508 O OE1 . GLU A 1 63 ? 21.808 5.805 37.999 1.0 33.85 ? 63 GLU A OE1 1 63 . A ATOM 509 O OE2 . GLU A 1 63 ? 20.789 4.029 37.210 1.0 33.47 ? 63 GLU A OE2 1 63 . A ATOM 510 N N . LYS A 1 64 ? 20.849 3.290 31.877 1.0 19.82 ? 64 LYS A N 1 64 . A ATOM 511 C CA . LYS A 1 64 ? 20.435 2.248 30.946 1.0 19.73 ? 64 LYS A CA 1 64 . A ATOM 512 C C . LYS A 1 64 ? 19.077 2.612 30.357 1.0 18.19 ? 64 LYS A C 1 64 . A ATOM 513 O O . LYS A 1 64 ? 18.364 3.473 30.880 1.0 18.36 ? 64 LYS A O 1 64 . A ATOM 514 C CB . LYS A 1 64 ? 20.296 0.912 31.696 1.0 21.59 ? 64 LYS A CB 1 64 . A ATOM 515 C CG . LYS A 1 64 ? 19.095 0.893 32.647 1.0 24.01 ? 64 LYS A CG 1 64 . A ATOM 516 C CD . LYS A 1 64 ? 19.053 -0.385 33.483 1.0 26.72 ? 64 LYS A CD 1 64 . A ATOM 517 C CE . LYS A 1 64 ? 17.645 -0.738 33.891 1.0 28.54 ? 64 LYS A CE 1 64 . A ATOM 518 N NZ . LYS A 1 64 ? 17.629 -2.015 34.672 1.0 30.21 ? 64 LYS A NZ 1 64 . A ATOM 519 N N . ASP A 1 65 ? 18.727 1.954 29.260 1.0 16.87 ? 65 ASP A N 1 65 . A ATOM 520 C CA . ASP A 1 65 ? 17.436 2.149 28.630 1.0 17.02 ? 65 ASP A CA 1 65 . A ATOM 521 C C . ASP A 1 65 ? 16.372 1.423 29.439 1.0 16.66 ? 65 ASP A C 1 65 . A ATOM 522 O O . ASP A 1 65 ? 16.572 0.284 29.875 1.0 18.26 ? 65 ASP A O 1 65 . A ATOM 523 C CB . ASP A 1 65 ? 17.445 1.594 27.204 1.0 15.93 ? 65 ASP A CB 1 65 . A ATOM 524 C CG . ASP A 1 65 ? 18.174 2.498 26.241 1.0 17.44 ? 65 ASP A CG 1 65 . A ATOM 525 O OD1 . ASP A 1 65 ? 18.591 2.012 25.178 1.0 16.18 ? 65 ASP A OD1 1 65 . A ATOM 526 O OD2 . ASP A 1 65 ? 18.319 3.704 26.538 1.0 16.11 ? 65 ASP A OD2 1 65 . A ATOM 527 N N . PHE A 1 66 ? 15.243 2.078 29.636 1.0 16.19 ? 66 PHE A N 1 66 . A ATOM 528 C CA . PHE A 1 66 ? 14.148 1.501 30.398 1.0 16.55 ? 66 PHE A CA 1 66 . A ATOM 529 C C . PHE A 1 66 ? 13.154 0.744 29.548 1.0 16.39 ? 66 PHE A C 1 66 . A ATOM 530 O O . PHE A 1 66 ? 12.206 0.143 30.073 1.0 17.68 ? 66 PHE A O 1 66 . A ATOM 531 C CB . PHE A 1 66 ? 13.481 2.594 31.245 1.0 17.89 ? 66 PHE A CB 1 66 . A ATOM 532 C CG . PHE A 1 66 ? 14.359 3.070 32.364 1.0 18.82 ? 66 PHE A CG 1 66 . A ATOM 533 C CD1 . PHE A 1 66 ? 14.856 4.366 32.384 1.0 19.98 ? 66 PHE A CD1 1 66 . A ATOM 534 C CD2 . PHE A 1 66 ? 14.740 2.190 33.370 1.0 21.06 ? 66 PHE A CD2 1 66 . A ATOM 535 C CE1 . PHE A 1 66 ? 15.728 4.793 33.390 1.0 21.23 ? 66 PHE A CE1 1 66 . A ATOM 536 C CE2 . PHE A 1 66 ? 15.614 2.602 34.391 1.0 21.46 ? 66 PHE A CE2 1 66 . A ATOM 537 C CZ . PHE A 1 66 ? 16.108 3.901 34.399 1.0 21.82 ? 66 PHE A CZ 1 66 . A ATOM 538 N N . ILE A 1 67 ? 13.344 0.830 28.226 1.0 15.04 ? 67 ILE A N 1 67 . A ATOM 539 C CA . ILE A 1 67 ? 12.544 0.061 27.286 1.0 14.98 ? 67 ILE A CA 1 67 . A ATOM 540 C C . ILE A 1 67 ? 13.539 -0.429 26.243 1.0 14.65 ? 67 ILE A C 1 67 . A ATOM 541 O O . ILE A 1 67 ? 14.655 0.075 26.176 1.0 14.37 ? 67 ILE A O 1 67 . A ATOM 542 C CB . ILE A 1 67 ? 11.430 0.885 26.572 1.0 15.07 ? 67 ILE A CB 1 67 . A ATOM 543 C CG1 . ILE A 1 67 ? 12.047 1.926 25.641 1.0 14.29 ? 67 ILE A CG1 1 67 . A ATOM 544 C CG2 . ILE A 1 67 ? 10.522 1.537 27.585 1.0 16.24 ? 67 ILE A CG2 1 67 . A ATOM 545 C CD1 . ILE A 1 67 ? 10.984 2.710 24.893 1.0 15.28 ? 67 ILE A CD1 1 67 . A ATOM 546 N N . THR A 1 68 ? 13.130 -1.412 25.442 1.0 15.74 ? 68 THR A N 1 68 . A ATOM 547 C CA . THR A 1 68 ? 13.991 -1.901 24.387 1.0 16.38 ? 68 THR A CA 1 68 . A ATOM 548 C C . THR A 1 68 ? 13.837 -0.955 23.187 1.0 14.15 ? 68 THR A C 1 68 . A ATOM 549 O O . THR A 1 68 ? 12.885 -1.087 22.429 1.0 14.16 ? 68 THR A O 1 68 . A ATOM 550 C CB . THR A 1 68 ? 13.571 -3.346 23.984 1.0 18.28 ? 68 THR A CB 1 68 . A ATOM 551 O OG1 . THR A 1 68 ? 13.559 -4.163 25.162 1.0 20.89 ? 68 THR A OG1 1 68 . A ATOM 552 C CG2 . THR A 1 68 ? 14.535 -3.949 22.969 1.0 20.83 ? 68 THR A CG2 1 68 . A ATOM 553 N N . VAL A 1 69 ? 14.783 -0.021 23.010 1.0 13.89 ? 69 VAL A N 1 69 . A ATOM 554 C CA . VAL A 1 69 ? 14.727 0.925 21.879 1.0 12.44 ? 69 VAL A CA 1 69 . A ATOM 555 C C . VAL A 1 69 ? 15.267 0.210 20.657 1.0 12.81 ? 69 VAL A C 1 69 . A ATOM 556 O O . VAL A 1 69 ? 16.461 0.207 20.361 1.0 13.98 ? 69 VAL A O 1 69 . A ATOM 557 C CB . VAL A 1 69 ? 15.550 2.196 22.136 1.0 12.02 ? 69 VAL A CB 1 69 . A ATOM 558 C CG1 . VAL A 1 69 ? 15.265 3.255 21.028 1.0 11.03 ? 69 VAL A CG1 1 69 . A ATOM 559 C CG2 . VAL A 1 69 ? 15.115 2.794 23.530 1.0 12.54 ? 69 VAL A CG2 1 69 . A ATOM 560 N N . GLN A 1 70 ? 14.355 -0.347 19.897 1.0 11.31 ? 70 GLN A N 1 70 . A ATOM 561 C CA . GLN A 1 70 ? 14.727 -1.207 18.773 1.0 10.83 ? 70 GLN A CA 1 70 . A ATOM 562 C C . GLN A 1 70 ? 14.558 -0.621 17.399 1.0 11.2 ? 70 GLN A C 1 70 . A ATOM 563 O O . GLN A 1 70 ? 14.032 0.464 17.242 1.0 11.02 ? 70 GLN A O 1 70 . A ATOM 564 C CB . GLN A 1 70 ? 13.926 -2.493 18.896 1.0 11.89 ? 70 GLN A CB 1 70 . A ATOM 565 C CG . GLN A 1 70 ? 12.444 -2.264 18.994 1.0 12.1 ? 70 GLN A CG 1 70 . A ATOM 566 C CD . GLN A 1 70 ? 11.745 -3.537 19.430 1.0 13.08 ? 70 GLN A CD 1 70 . A ATOM 567 O OE1 . GLN A 1 70 ? 11.431 -4.385 18.602 1.0 12.7 ? 70 GLN A OE1 1 70 . A ATOM 568 N NE2 . GLN A 1 70 ? 11.524 -3.683 20.729 1.0 13.62 ? 70 GLN A NE2 1 70 . A ATOM 569 N N . ALA A 1 71 ? 14.914 -1.396 16.378 1.0 11.48 ? 71 ALA A N 1 71 . A ATOM 570 C CA . ALA A 1 71 ? 14.873 -0.884 15.012 1.0 12.01 ? 71 ALA A CA 1 71 . A ATOM 571 C C . ALA A 1 71 ? 13.496 -0.510 14.488 1.0 11.68 ? 71 ALA A C 1 71 . A ATOM 572 O O . ALA A 1 71 ? 13.371 0.450 13.731 1.0 12.24 ? 71 ALA A O 1 71 . A ATOM 573 C CB . ALA A 1 71 ? 15.528 -1.877 14.073 1.0 12.4 ? 71 ALA A CB 1 71 . A ATOM 574 N N . ASP A 1 72 ? 12.457 -1.253 14.835 1.0 11.59 ? 72 ASP A N 1 72 . A ATOM 575 C CA . ASP A 1 72 ? 11.119 -0.885 14.332 1.0 11.5 ? 72 ASP A CA 1 72 . A ATOM 576 C C . ASP A 1 72 ? 10.590 0.306 15.143 1.0 10.41 ? 72 ASP A C 1 72 . A ATOM 577 O O . ASP A 1 72 ? 10.331 0.180 16.344 1.0 10.24 ? 72 ASP A O 1 72 . A ATOM 578 C CB . ASP A 1 72 ? 10.132 -2.071 14.429 1.0 12.07 ? 72 ASP A CB 1 72 . A ATOM 579 C CG . ASP A 1 72 ? 8.790 -1.782 13.744 1.0 13.55 ? 72 ASP A CG 1 72 . A ATOM 580 O OD1 . ASP A 1 72 ? 8.779 -1.645 12.506 1.0 15.76 ? 72 ASP A OD1 1 72 . A ATOM 581 O OD2 . ASP A 1 72 ? 7.750 -1.670 14.437 1.0 15.34 ? 72 ASP A OD2 1 72 . A ATOM 582 N N . ALA A 1 73 ? 10.430 1.456 14.481 1.0 9.8 ? 73 ALA A N 1 73 . A ATOM 583 C CA . ALA A 1 73 ? 9.990 2.665 15.179 1.0 9.55 ? 73 ALA A CA 1 73 . A ATOM 584 C C . ALA A 1 73 ? 8.591 2.506 15.760 1.0 9.81 ? 73 ALA A C 1 73 . A ATOM 585 O O . ALA A 1 73 ? 8.356 2.872 16.907 1.0 10.07 ? 73 ALA A O 1 73 . A ATOM 586 C CB . ALA A 1 73 ? 10.058 3.880 14.251 1.0 10.29 ? 73 ALA A CB 1 73 . A ATOM 587 N N . PRO A 1 74 ? 7.641 1.943 14.998 1.0 10.93 ? 74 PRO A N 1 74 . A ATOM 588 C CA . PRO A 1 74 ? 6.313 1.803 15.615 1.0 11.35 ? 74 PRO A CA 1 74 . A ATOM 589 C C . PRO A 1 74 ? 6.350 0.922 16.888 1.0 11.16 ? 74 PRO A C 1 74 . A ATOM 590 O O . PRO A 1 74 ? 5.667 1.205 17.869 1.0 10.44 ? 74 PRO A O 1 74 . A ATOM 591 C CB . PRO A 1 74 ? 5.479 1.171 14.505 1.0 12.44 ? 74 PRO A CB 1 74 . A ATOM 592 C CG . PRO A 1 74 ? 6.130 1.735 13.242 1.0 11.95 ? 74 PRO A CG 1 74 . A ATOM 593 C CD . PRO A 1 74 ? 7.614 1.664 13.549 1.0 11.67 ? 74 PRO A CD 1 74 . A ATOM 594 N N . THR A 1 75 ? 7.131 -0.156 16.861 1.0 10.82 ? 75 THR A N 1 75 . A ATOM 595 C CA . THR A 1 75 ? 7.219 -1.017 18.044 1.0 10.72 ? 75 THR A CA 1 75 . A ATOM 596 C C . THR A 1 75 ? 7.825 -0.246 19.216 1.0 10.42 ? 75 THR A C 1 75 . A ATOM 597 O O . THR A 1 75 ? 7.355 -0.336 20.345 1.0 10.12 ? 75 THR A O 1 75 . A ATOM 598 C CB . THR A 1 75 ? 8.043 -2.308 17.766 1.0 11.28 ? 75 THR A CB 1 75 . A ATOM 599 O OG1 . THR A 1 75 ? 7.416 -3.014 16.670 1.0 12.69 ? 75 THR A OG1 1 75 . A ATOM 600 C CG2 . THR A 1 75 ? 8.071 -3.216 19.010 1.0 11.82 ? 75 THR A CG2 1 75 . A ATOM 601 N N . THR A 1 76 ? 8.898 0.490 18.944 1.0 9.15 ? 76 THR A N 1 76 . A ATOM 602 C CA . THR A 1 76 ? 9.516 1.315 19.962 1.0 8.57 ? 76 THR A CA 1 76 . A ATOM 603 C C . THR A 1 76 ? 8.533 2.344 20.512 1.0 8.74 ? 76 THR A C 1 76 . A ATOM 604 O O . THR A 1 76 ? 8.531 2.605 21.726 1.0 8.62 ? 76 THR A O 1 76 . A ATOM 605 C CB . THR A 1 76 ? 10.760 1.979 19.382 1.0 9.29 ? 76 THR A CB 1 76 . A ATOM 606 O OG1 . THR A 1 76 ? 11.702 0.954 19.054 1.0 10.33 ? 76 THR A OG1 1 76 . A ATOM 607 C CG2 . THR A 1 76 ? 11.377 2.913 20.403 1.0 9.07 ? 76 THR A CG2 1 76 . A ATOM 608 N N . ALA A 1 77 ? 7.732 2.935 19.635 1.0 8.02 ? 77 ALA A N 1 77 . A ATOM 609 C CA . ALA A 1 77 ? 6.737 3.926 20.053 1.0 9.0 ? 77 ALA A CA 1 77 . A ATOM 610 C C . ALA A 1 77 ? 5.713 3.327 20.998 1.0 9.45 ? 77 ALA A C 1 77 . A ATOM 611 O O . ALA A 1 77 ? 5.335 3.959 21.986 1.0 10.43 ? 77 ALA A O 1 77 . A ATOM 612 C CB . ALA A 1 77 ? 6.045 4.519 18.841 1.0 8.5 ? 77 ALA A CB 1 77 . A ATOM 613 N N . GLY A 1 78 ? 5.270 2.104 20.719 1.0 10.24 ? 78 GLY A N 1 78 . A ATOM 614 C CA . GLY A 1 78 ? 4.305 1.468 21.601 1.0 10.74 ? 78 GLY A CA 1 78 . A ATOM 615 C C . GLY A 1 78 ? 4.915 1.186 22.980 1.0 11.07 ? 78 GLY A C 1 78 . A ATOM 616 O O . GLY A 1 78 ? 4.260 1.374 24.006 1.0 11.86 ? 78 GLY A O 1 78 . A ATOM 617 N N . LEU A 1 79 ? 6.159 0.718 23.006 1.0 10.67 ? 79 LEU A N 1 79 . A ATOM 618 C CA . LEU A 1 79 ? 6.820 0.448 24.291 1.0 11.74 ? 79 LEU A CA 1 79 . A ATOM 619 C C . LEU A 1 79 ? 7.032 1.754 25.036 1.0 11.63 ? 79 LEU A C 1 79 . A ATOM 620 O O . LEU A 1 79 ? 6.918 1.818 26.266 1.0 11.2 ? 79 LEU A O 1 79 . A ATOM 621 C CB . LEU A 1 79 ? 8.172 -0.232 24.080 1.0 12.24 ? 79 LEU A CB 1 79 . A ATOM 622 C CG . LEU A 1 79 ? 8.025 -1.616 23.448 1.0 14.53 ? 79 LEU A CG 1 79 . A ATOM 623 C CD1 . LEU A 1 79 ? 9.422 -2.120 23.137 1.0 13.95 ? 79 LEU A CD1 1 79 . A ATOM 624 C CD2 . LEU A 1 79 ? 7.272 -2.601 24.387 1.0 14.67 ? 79 LEU A CD2 1 79 . A ATOM 625 N N . PHE A 1 80 ? 7.317 2.804 24.282 1.0 11.23 ? 80 PHE A N 1 80 . A ATOM 626 C CA . PHE A 1 80 ? 7.528 4.107 24.909 1.0 10.87 ? 80 PHE A CA 1 80 . A ATOM 627 C C . PHE A 1 80 ? 6.227 4.680 25.442 1.0 11.58 ? 80 PHE A C 1 80 . A ATOM 628 O O . PHE A 1 80 ? 6.219 5.303 26.534 1.0 11.91 ? 80 PHE A O 1 80 . A ATOM 629 C CB . PHE A 1 80 ? 8.208 5.071 23.905 1.0 9.34 ? 80 PHE A CB 1 80 . A ATOM 630 C CG . PHE A 1 80 ? 8.484 6.434 24.471 1.0 9.01 ? 80 PHE A CG 1 80 . A ATOM 631 C CD1 . PHE A 1 80 ? 9.390 6.588 25.540 1.0 8.94 ? 80 PHE A CD1 1 80 . A ATOM 632 C CD2 . PHE A 1 80 ? 7.830 7.556 23.986 1.0 9.8 ? 80 PHE A CD2 1 80 . A ATOM 633 C CE1 . PHE A 1 80 ? 9.628 7.852 26.112 1.0 10.21 ? 80 PHE A CE1 1 80 . A ATOM 634 C CE2 . PHE A 1 80 ? 8.052 8.834 24.552 1.0 10.51 ? 80 PHE A CE2 1 80 . A ATOM 635 C CZ . PHE A 1 80 ? 8.954 8.978 25.620 1.0 9.35 ? 80 PHE A CZ 1 80 . A ATOM 636 N N . GLY A 1 81 ? 5.138 4.483 24.712 1.0 11.33 ? 81 GLY A N 1 81 . A ATOM 637 C CA . GLY A 1 81 ? 3.862 4.995 25.191 1.0 11.44 ? 81 GLY A CA 1 81 . A ATOM 638 C C . GLY A 1 81 ? 3.477 4.285 26.479 1.0 12.76 ? 81 GLY A C 1 81 . A ATOM 639 O O . GLY A 1 81 ? 2.929 4.883 27.396 1.0 12.35 ? 81 GLY A O 1 81 . A ATOM 640 N N . ASP A 1 82 ? 3.762 2.989 26.550 1.0 13.83 ? 82 ASP A N 1 82 . A ATOM 641 C CA . ASP A 1 82 ? 3.435 2.233 27.758 1.0 15.83 ? 82 ASP A CA 1 82 . A ATOM 642 C C . ASP A 1 82 ? 4.214 2.763 28.946 1.0 15.36 ? 82 ASP A C 1 82 . A ATOM 643 O O . ASP A 1 82 ? 3.648 3.003 30.024 1.0 15.55 ? 82 ASP A O 1 82 . A ATOM 644 C CB . ASP A 1 82 ? 3.791 0.756 27.566 1.0 17.14 ? 82 ASP A CB 1 82 . A ATOM 645 C CG . ASP A 1 82 ? 2.768 0.004 26.725 1.0 20.22 ? 82 ASP A CG 1 82 . A ATOM 646 O OD1 . ASP A 1 82 ? 3.105 -1.122 26.298 1.0 22.31 ? 82 ASP A OD1 1 82 . A ATOM 647 O OD2 . ASP A 1 82 ? 1.647 0.509 26.489 1.0 20.52 ? 82 ASP A OD2 1 82 . A ATOM 648 N N . TRP A 1 83 ? 5.515 2.924 28.762 1.0 14.89 ? 83 TRP A N 1 83 . A ATOM 649 C CA . TRP A 1 83 ? 6.386 3.406 29.833 1.0 15.78 ? 83 TRP A CA 1 83 . A ATOM 650 C C . TRP A 1 83 ? 6.002 4.846 30.208 1.0 15.91 ? 83 TRP A C 1 83 . A ATOM 651 O O . TRP A 1 83 ? 6.037 5.225 31.384 1.0 15.44 ? 83 TRP A O 1 83 . A ATOM 652 C CB . TRP A 1 83 ? 7.856 3.319 29.383 1.0 16.78 ? 83 TRP A CB 1 83 . A ATOM 653 C CG . TRP A 1 83 ? 8.821 3.821 30.405 1.0 17.78 ? 83 TRP A CG 1 83 . A ATOM 654 C CD1 . TRP A 1 83 ? 9.335 3.136 31.475 1.0 18.35 ? 83 TRP A CD1 1 83 . A ATOM 655 C CD2 . TRP A 1 83 ? 9.348 5.139 30.480 1.0 18.09 ? 83 TRP A CD2 1 83 . A ATOM 656 N NE1 . TRP A 1 83 ? 10.156 3.962 32.214 1.0 19.02 ? 83 TRP A NE1 1 83 . A ATOM 657 C CE2 . TRP A 1 83 ? 10.181 5.198 31.623 1.0 18.27 ? 83 TRP A CE2 1 83 . A ATOM 658 C CE3 . TRP A 1 83 ? 9.198 6.287 29.694 1.0 17.91 ? 83 TRP A CE3 1 83 . A ATOM 659 C CZ2 . TRP A 1 83 ? 10.853 6.352 31.991 1.0 19.31 ? 83 TRP A CZ2 1 83 . A ATOM 660 C CZ3 . TRP A 1 83 ? 9.867 7.436 30.057 1.0 18.92 ? 83 TRP A CZ3 1 83 . A ATOM 661 C CH2 . TRP A 1 83 ? 10.690 7.465 31.203 1.0 18.66 ? 83 TRP A CH2 1 83 . A ATOM 662 N N . ARG A 1 84 ? 5.634 5.644 29.212 1.0 15.13 ? 84 ARG A N 1 84 . A ATOM 663 C CA . ARG A 1 84 ? 5.223 7.025 29.442 1.0 15.11 ? 84 ARG A CA 1 84 . A ATOM 664 C C . ARG A 1 84 ? 4.000 7.104 30.352 1.0 15.59 ? 84 ARG A C 1 84 . A ATOM 665 O O . ARG A 1 84 ? 3.938 7.915 31.292 1.0 15.51 ? 84 ARG A O 1 84 . A ATOM 666 C CB . ARG A 1 84 ? 4.898 7.708 28.123 1.0 15.17 ? 84 ARG A CB 1 84 . A ATOM 667 C CG . ARG A 1 84 ? 4.601 9.178 28.289 1.0 15.3 ? 84 ARG A CG 1 84 . A ATOM 668 C CD . ARG A 1 84 ? 3.193 9.475 27.955 1.0 14.74 ? 84 ARG A CD 1 84 . A ATOM 669 N NE . ARG A 1 84 ? 2.911 10.885 28.128 1.0 13.74 ? 84 ARG A NE 1 84 . A ATOM 670 C CZ . ARG A 1 84 ? 1.769 11.448 27.781 1.0 14.09 ? 84 ARG A CZ 1 84 . A ATOM 671 N NH1 . ARG A 1 84 ? 0.825 10.709 27.237 1.0 13.22 ? 84 ARG A NH1 1 84 . A ATOM 672 N NH2 . ARG A 1 84 ? 1.566 12.740 28.010 1.0 11.24 ? 84 ARG A NH2 1 84 . A ATOM 673 N N . GLU A 1 85 ? 3.022 6.260 30.064 1.0 14.63 ? 85 GLU A N 1 85 . A ATOM 674 C CA . GLU A 1 85 ? 1.801 6.214 30.845 1.0 15.79 ? 85 GLU A CA 1 85 . A ATOM 675 C C . GLU A 1 85 ? 2.061 5.680 32.257 1.0 16.11 ? 85 GLU A C 1 85 . A ATOM 676 O O . GLU A 1 85 ? 1.598 6.259 33.245 1.0 16.6 ? 85 GLU A O 1 85 . A ATOM 677 C CB . GLU A 1 85 ? 0.781 5.293 30.148 1.0 15.98 ? 85 GLU A CB 1 85 . A ATOM 678 C CG . GLU A 1 85 ? -0.507 5.122 30.975 1.0 18.01 ? 85 GLU A CG 1 85 . A ATOM 679 C CD . GLU A 1 85 ? -1.580 4.318 30.278 1.0 19.83 ? 85 GLU A CD 1 85 . A ATOM 680 O OE1 . GLU A 1 85 ? -1.338 3.792 29.170 1.0 21.46 ? 85 GLU A OE1 1 85 . A ATOM 681 O OE2 . GLU A 1 85 ? -2.680 4.229 30.870 1.0 20.84 ? 85 GLU A OE2 1 85 . A ATOM 682 N N . ARG A 1 86 ? 2.825 4.599 32.348 1.0 16.38 ? 86 ARG A N 1 86 . A ATOM 683 C CA . ARG A 1 86 ? 3.066 3.955 33.634 1.0 18.2 ? 86 ARG A CA 1 86 . A ATOM 684 C C . ARG A 1 86 ? 4.109 4.590 34.520 1.0 17.52 ? 86 ARG A C 1 86 . A ATOM 685 O O . ARG A 1 86 ? 4.025 4.493 35.747 1.0 18.2 ? 86 ARG A O 1 86 . A ATOM 686 C CB . ARG A 1 86 ? 3.423 2.484 33.405 1.0 19.94 ? 86 ARG A CB 1 86 . A ATOM 687 C CG . ARG A 1 86 ? 2.309 1.746 32.697 1.0 24.16 ? 86 ARG A CG 1 86 . A ATOM 688 C CD . ARG A 1 86 ? 2.780 0.523 31.943 1.0 26.8 ? 86 ARG A CD 1 86 . A ATOM 689 N NE . ARG A 1 86 ? 1.798 0.145 30.923 1.0 29.69 ? 86 ARG A NE 1 86 . A ATOM 690 C CZ . ARG A 1 86 ? 1.877 -0.952 30.173 1.0 31.06 ? 86 ARG A CZ 1 86 . A ATOM 691 N NH1 . ARG A 1 86 ? 2.886 -1.791 30.326 1.0 32.5 ? 86 ARG A NH1 1 86 . A ATOM 692 N NH2 . ARG A 1 86 ? 0.956 -1.193 29.253 1.0 32.12 ? 86 ARG A NH2 1 86 . A ATOM 693 N N . VAL A 1 87 ? 5.080 5.255 33.920 1.0 16.91 ? 87 VAL A N 1 87 . A ATOM 694 C CA . VAL A 1 87 ? 6.147 5.847 34.704 1.0 16.42 ? 87 VAL A CA 1 87 . A ATOM 695 C C . VAL A 1 87 ? 6.299 7.357 34.549 1.0 16.32 ? 87 VAL A C 1 87 . A ATOM 696 O O . VAL A 1 87 ? 6.246 8.102 35.521 1.0 15.83 ? 87 VAL A O 1 87 . A ATOM 697 C CB . VAL A 1 87 ? 7.507 5.170 34.359 1.0 16.67 ? 87 VAL A CB 1 87 . A ATOM 698 C CG1 . VAL A 1 87 ? 8.642 5.865 35.112 1.0 17.2 ? 87 VAL A CG1 1 87 . A ATOM 699 C CG2 . VAL A 1 87 ? 7.450 3.678 34.698 1.0 17.24 ? 87 VAL A CG2 1 87 . A ATOM 700 N N . LEU A 1 88 ? 6.493 7.829 33.324 1.0 15.45 ? 88 LEU A N 1 88 . A ATOM 701 C CA . LEU A 1 88 ? 6.718 9.261 33.127 1.0 16.31 ? 88 LEU A CA 1 88 . A ATOM 702 C C . LEU A 1 88 ? 5.590 10.203 33.586 1.0 15.94 ? 88 LEU A C 1 88 . A ATOM 703 O O . LEU A 1 88 ? 5.842 11.252 34.214 1.0 15.69 ? 88 LEU A O 1 88 . A ATOM 704 C CB . LEU A 1 88 ? 7.077 9.492 31.647 1.0 16.37 ? 88 LEU A CB 1 88 . A ATOM 705 C CG . LEU A 1 88 ? 7.805 10.803 31.332 1.0 18.02 ? 88 LEU A CG 1 88 . A ATOM 706 C CD1 . LEU A 1 88 ? 9.213 10.794 31.953 1.0 19.61 ? 88 LEU A CD1 1 88 . A ATOM 707 C CD2 . LEU A 1 88 ? 7.917 10.935 29.827 1.0 18.69 ? 88 LEU A CD2 1 88 . A ATOM 708 N N . LEU A 1 89 ? 4.343 9.844 33.299 1.0 15.54 ? 89 LEU A N 1 89 . A ATOM 709 C CA . LEU A 1 89 ? 3.232 10.671 33.702 1.0 16.56 ? 89 LEU A CA 1 89 . A ATOM 710 C C . LEU A 1 89 ? 3.094 10.728 35.205 1.0 17.79 ? 89 LEU A C 1 89 . A ATOM 711 O O . LEU A 1 89 ? 2.512 11.673 35.724 1.0 18.04 ? 89 LEU A O 1 89 . A ATOM 712 C CB . LEU A 1 89 ? 1.920 10.183 33.079 1.0 15.82 ? 89 LEU A CB 1 89 . A ATOM 713 C CG . LEU A 1 89 ? 1.625 10.793 31.706 1.0 15.31 ? 89 LEU A CG 1 89 . A ATOM 714 C CD1 . LEU A 1 89 ? 0.418 10.103 31.080 1.0 16.11 ? 89 LEU A CD1 1 89 . A ATOM 715 C CD2 . LEU A 1 89 ? 1.329 12.298 31.873 1.0 16.15 ? 89 LEU A CD2 1 89 . A ATOM 716 N N . LYS A 1 90 ? 3.634 9.729 35.901 1.0 19.14 ? 90 LYS A N 1 90 . A ATOM 717 C CA . LYS A 1 90 ? 3.561 9.709 37.355 1.0 20.56 ? 90 LYS A CA 1 90 . A ATOM 718 C C . LYS A 1 90 ? 4.584 10.656 37.957 1.0 20.28 ? 90 LYS A C 1 90 . A ATOM 719 O O . LYS A 1 90 ? 4.417 11.108 39.101 1.0 21.0 ? 90 LYS A O 1 90 . A ATOM 720 C CB . LYS A 1 90 ? 3.796 8.293 37.893 1.0 22.57 ? 90 LYS A CB 1 90 . A ATOM 721 C CG . LYS A 1 90 ? 2.789 7.259 37.383 1.0 25.84 ? 90 LYS A CG 1 90 . A ATOM 722 C CD . LYS A 1 90 ? 1.352 7.722 37.579 1.0 27.38 ? 90 LYS A CD 1 90 . A ATOM 723 C CE . LYS A 1 90 ? 0.316 6.657 37.181 1.0 29.04 ? 90 LYS A CE 1 90 . A ATOM 724 N NZ . LYS A 1 90 ? 0.238 6.439 35.702 1.0 30.27 ? 90 LYS A NZ 1 90 . A ATOM 725 N N . LYS A 1 91 ? 5.648 10.960 37.216 1.0 19.77 ? 91 LYS A N 1 91 . A ATOM 726 C CA . LYS A 1 91 ? 6.677 11.865 37.726 1.0 19.74 ? 91 LYS A CA 1 91 . A ATOM 727 C C . LYS A 1 91 ? 6.227 13.321 37.634 1.0 18.99 ? 91 LYS A C 1 91 . A ATOM 728 O O . LYS A 1 91 ? 6.439 14.102 38.563 1.0 19.34 ? 91 LYS A O 1 91 . A ATOM 729 C CB . LYS A 1 91 ? 7.977 11.667 36.965 1.0 21.04 ? 91 LYS A CB 1 91 . A ATOM 730 C CG . LYS A 1 91 ? 8.433 10.199 36.938 1.0 24.21 ? 91 LYS A CG 1 91 . A ATOM 731 C CD . LYS A 1 91 ? 9.942 10.070 36.841 1.0 27.33 ? 91 LYS A CD 1 91 . A ATOM 732 C CE . LYS A 1 91 ? 10.474 10.657 35.561 1.0 27.47 ? 91 LYS A CE 1 91 . A ATOM 733 N NZ . LYS A 1 91 ? 11.943 10.402 35.378 1.0 30.5 ? 91 LYS A NZ 1 91 . A ATOM 734 N N . LYS A 1 92 ? 5.608 13.683 36.508 1.0 16.98 ? 92 LYS A N 1 92 . A ATOM 735 C CA . LYS A 1 92 ? 5.094 15.031 36.309 1.0 15.27 ? 92 LYS A CA 1 92 . A ATOM 736 C C . LYS A 1 92 ? 4.111 14.994 35.158 1.0 15.4 ? 92 LYS A C 1 92 . A ATOM 737 O O . LYS A 1 92 ? 4.389 14.384 34.128 1.0 15.56 ? 92 LYS A O 1 92 . A ATOM 738 C CB . LYS A 1 92 ? 6.221 15.995 35.966 1.0 14.12 ? 92 LYS A CB 1 92 . A ATOM 739 C CG . LYS A 1 92 ? 5.824 17.451 36.069 1.0 14.36 ? 92 LYS A CG 1 92 . A ATOM 740 C CD . LYS A 1 92 ? 7.011 18.378 35.772 1.0 13.71 ? 92 LYS A CD 1 92 . A ATOM 741 C CE . LYS A 1 92 ? 6.574 19.840 35.852 1.0 14.01 ? 92 LYS A CE 1 92 . A ATOM 742 N NZ . LYS A 1 92 ? 7.679 20.804 35.560 1.0 13.36 ? 92 LYS A NZ 1 92 . A ATOM 743 N N . ASN A 1 93 ? 2.967 15.631 35.326 1.0 14.83 ? 93 ASN A N 1 93 . A ATOM 744 C CA . ASN A 1 93 ? 1.994 15.653 34.244 1.0 15.31 ? 93 ASN A CA 1 93 . A ATOM 745 C C . ASN A 1 93 ? 2.504 16.484 33.053 1.0 13.35 ? 93 ASN A C 1 93 . A ATOM 746 O O . ASN A 1 93 ? 3.205 17.489 33.224 1.0 13.62 ? 93 ASN A O 1 93 . A ATOM 747 C CB . ASN A 1 93 ? 0.658 16.196 34.722 1.0 18.41 ? 93 ASN A CB 1 93 . A ATOM 748 C CG . ASN A 1 93 ? -0.416 16.057 33.663 1.0 20.84 ? 93 ASN A CG 1 93 . A ATOM 749 O OD1 . ASN A 1 93 ? -0.607 14.980 33.108 1.0 23.38 ? 93 ASN A OD1 1 93 . A ATOM 750 N ND2 . ASN A 1 93 ? -1.119 17.139 33.380 1.0 24.2 ? 93 ASN A ND2 1 93 . A ATOM 751 N N . HIS A 1 94 ? 2.134 16.048 31.857 1.0 11.93 ? 94 HIS A N 1 94 . A ATOM 752 C CA . HIS A 1 94 ? 2.515 16.702 30.622 1.0 10.3 ? 94 HIS A CA 1 94 . A ATOM 753 C C . HIS A 1 94 ? 1.576 16.159 29.559 1.0 10.34 ? 94 HIS A C 1 94 . A ATOM 754 O O . HIS A 1 94 ? 0.908 15.136 29.777 1.0 9.46 ? 94 HIS A O 1 94 . A ATOM 755 C CB . HIS A 1 94 ? 3.987 16.413 30.305 1.0 10.99 ? 94 HIS A CB 1 94 . A ATOM 756 C CG . HIS A 1 94 ? 4.296 14.958 30.146 1.0 10.75 ? 94 HIS A CG 1 94 . A ATOM 757 N ND1 . HIS A 1 94 ? 4.548 14.126 31.215 1.0 10.38 ? 94 HIS A ND1 1 94 . A ATOM 758 C CD2 . HIS A 1 94 ? 4.348 14.182 29.038 1.0 10.75 ? 94 HIS A CD2 1 94 . A ATOM 759 C CE1 . HIS A 1 94 ? 4.739 12.895 30.770 1.0 10.51 ? 94 HIS A CE1 1 94 . A ATOM 760 N NE2 . HIS A 1 94 ? 4.626 12.903 29.456 1.0 9.83 ? 94 HIS A NE2 1 94 . A ATOM 761 N N . ASP A 1 95 ? 1.573 16.796 28.400 1.0 9.02 ? 95 ASP A N 1 95 . A ATOM 762 C CA . ASP A 1 95 ? 0.603 16.484 27.353 1.0 9.2 ? 95 ASP A CA 1 95 . A ATOM 763 C C . ASP A 1 95 ? 1.073 15.565 26.265 1.0 8.69 ? 95 ASP A C 1 95 . A ATOM 764 O O . ASP A 1 95 ? 0.243 14.913 25.659 1.0 9.62 ? 95 ASP A O 1 95 . A ATOM 765 C CB . ASP A 1 95 ? 0.182 17.796 26.681 1.0 9.37 ? 95 ASP A CB 1 95 . A ATOM 766 C CG . ASP A 1 95 ? -0.363 18.807 27.681 1.0 11.31 ? 95 ASP A CG 1 95 . A ATOM 767 O OD1 . ASP A 1 95 ? -0.099 20.018 27.499 1.0 11.62 ? 95 ASP A OD1 1 95 . A ATOM 768 O OD2 . ASP A 1 95 ? -1.058 18.381 28.637 1.0 12.26 ? 95 ASP A OD2 1 95 . A ATOM 769 N N . HIS A 1 96 ? 2.377 15.546 26.018 1.0 8.1 ? 96 HIS A N 1 96 . A ATOM 770 C CA . HIS A 1 96 ? 2.936 14.788 24.905 1.0 7.74 ? 96 HIS A CA 1 96 . A ATOM 771 C C . HIS A 1 96 ? 4.369 14.524 25.236 1.0 7.17 ? 96 HIS A C 1 96 . A ATOM 772 O O . HIS A 1 96 ? 5.059 15.398 25.796 1.0 8.61 ? 96 HIS A O 1 96 . A ATOM 773 C CB . HIS A 1 96 ? 2.886 15.651 23.630 1.0 7.69 ? 96 HIS A CB 1 96 . A ATOM 774 C CG . HIS A 1 96 ? 3.342 14.961 22.378 1.0 7.44 ? 96 HIS A CG 1 96 . A ATOM 775 N ND1 . HIS A 1 96 ? 4.585 15.139 21.805 1.0 9.1 ? 96 HIS A ND1 1 96 . A ATOM 776 C CD2 . HIS A 1 96 ? 2.684 14.091 21.578 1.0 4.83 ? 96 HIS A CD2 1 96 . A ATOM 777 C CE1 . HIS A 1 96 ? 4.671 14.407 20.694 1.0 5.12 ? 96 HIS A CE1 1 96 . A ATOM 778 N NE2 . HIS A 1 96 ? 3.526 13.767 20.540 1.0 8.68 ? 96 HIS A NE2 1 96 . A ATOM 779 N N . ALA A 1 97 ? 4.831 13.331 24.901 1.0 7.26 ? 97 ALA A N 1 97 . A ATOM 780 C CA . ALA A 1 97 ? 6.243 12.989 25.174 1.0 7.07 ? 97 ALA A CA 1 97 . A ATOM 781 C C . ALA A 1 97 ? 6.934 12.473 23.923 1.0 6.0 ? 97 ALA A C 1 97 . A ATOM 782 O O . ALA A 1 97 ? 6.335 11.699 23.161 1.0 8.55 ? 97 ALA A O 1 97 . A ATOM 783 C CB . ALA A 1 97 ? 6.364 11.885 26.281 1.0 7.04 ? 97 ALA A CB 1 97 . A ATOM 784 N N . GLN A 1 98 ? 8.187 12.863 23.728 1.0 7.07 ? 98 GLN A N 1 98 . A ATOM 785 C CA . GLN A 1 98 ? 8.959 12.354 22.608 1.0 6.83 ? 98 GLN A CA 1 98 . A ATOM 786 C C . GLN A 1 98 ? 10.245 11.709 23.134 1.0 7.27 ? 98 GLN A C 1 98 . A ATOM 787 O O . GLN A 1 98 ? 10.922 12.223 24.061 1.0 7.89 ? 98 GLN A O 1 98 . A ATOM 788 C CB . GLN A 1 98 ? 9.338 13.480 21.605 1.0 8.01 ? 98 GLN A CB 1 98 . A ATOM 789 C CG . GLN A 1 98 ? 8.106 14.201 21.107 1.0 7.34 ? 98 GLN A CG 1 98 . A ATOM 790 C CD . GLN A 1 98 ? 8.303 14.846 19.758 1.0 8.91 ? 98 GLN A CD 1 98 . A ATOM 791 O OE1 . GLN A 1 98 ? 9.434 15.084 19.324 1.0 8.67 ? 98 GLN A OE1 1 98 . A ATOM 792 N NE2 . GLN A 1 98 ? 7.199 15.187 19.118 1.0 8.16 ? 98 GLN A NE2 1 98 . A ATOM 793 N N . LEU A 1 99 ? 10.585 10.570 22.556 1.0 7.57 ? 99 LEU A N 1 99 . A ATOM 794 C CA . LEU A 1 99 ? 11.811 9.864 22.877 1.0 8.99 ? 99 LEU A CA 1 99 . A ATOM 795 C C . LEU A 1 99 ? 12.820 10.207 21.794 1.0 8.26 ? 99 LEU A C 1 99 . A ATOM 796 O O . LEU A 1 99 ? 12.533 10.030 20.599 1.0 8.94 ? 99 LEU A O 1 99 . A ATOM 797 C CB . LEU A 1 99 ? 11.587 8.349 22.823 1.0 9.11 ? 99 LEU A CB 1 99 . A ATOM 798 C CG . LEU A 1 99 ? 12.842 7.489 23.013 1.0 10.35 ? 99 LEU A CG 1 99 . A ATOM 799 C CD1 . LEU A 1 99 ? 13.346 7.598 24.465 1.0 11.19 ? 99 LEU A CD1 1 99 . A ATOM 800 C CD2 . LEU A 1 99 ? 12.462 6.024 22.707 1.0 11.95 ? 99 LEU A CD2 1 99 . A ATOM 801 N N . LEU A 1 100 ? 13.976 10.717 22.186 1.0 8.12 ? 100 LEU A N 1 100 . A ATOM 802 C CA . LEU A 1 100 ? 15.054 11.051 21.269 1.0 8.86 ? 100 LEU A CA 1 100 . A ATOM 803 C C . LEU A 1 100 ? 16.087 9.940 21.393 1.0 9.05 ? 100 LEU A C 1 100 . A ATOM 804 O O . LEU A 1 100 ? 16.482 9.570 22.504 1.0 9.51 ? 100 LEU A O 1 100 . A ATOM 805 C CB . LEU A 1 100 ? 15.675 12.395 21.652 1.0 9.85 ? 100 LEU A CB 1 100 . A ATOM 806 C CG . LEU A 1 100 ? 14.908 13.619 21.188 1.0 12.3 ? 100 LEU A CG 1 100 . A ATOM 807 C CD1 . LEU A 1 100 ? 15.482 14.887 21.811 1.0 13.72 ? 100 LEU A CD1 1 100 . A ATOM 808 C CD2 . LEU A 1 100 ? 15.015 13.696 19.669 1.0 13.03 ? 100 LEU A CD2 1 100 . A ATOM 809 N N . THR A 1 101 ? 16.577 9.450 20.260 1.0 8.47 ? 101 THR A N 1 101 . A ATOM 810 C CA . THR A 1 101 ? 17.512 8.325 20.269 1.0 9.28 ? 101 THR A CA 1 101 . A ATOM 811 C C . THR A 1 101 ? 18.482 8.384 19.118 1.0 9.23 ? 101 THR A C 1 101 . A ATOM 812 O O . THR A 1 101 ? 18.228 9.075 18.131 1.0 9.52 ? 101 THR A O 1 101 . A ATOM 813 C CB . THR A 1 101 ? 16.671 6.999 20.163 1.0 9.82 ? 101 THR A CB 1 101 . A ATOM 814 O OG1 . THR A 1 101 ? 17.553 5.870 20.154 1.0 10.46 ? 101 THR A OG1 1 101 . A ATOM 815 C CG2 . THR A 1 101 ? 15.850 6.963 18.848 1.0 11.01 ? 101 THR A CG2 1 101 . A ATOM 816 N N . ASP A 1 102 ? 19.587 7.663 19.231 1.0 9.34 ? 102 ASP A N 1 102 . A ATOM 817 C CA . ASP A 1 102 ? 20.521 7.578 18.111 1.0 9.64 ? 102 ASP A CA 1 102 . A ATOM 818 C C . ASP A 1 102 ? 20.335 6.261 17.341 1.0 8.98 ? 102 ASP A C 1 102 . A ATOM 819 O O . ASP A 1 102 ? 21.108 5.957 16.424 1.0 10.15 ? 102 ASP A O 1 102 . A ATOM 820 C CB . ASP A 1 102 ? 21.975 7.683 18.596 1.0 12.53 ? 102 ASP A CB 1 102 . A ATOM 821 C CG . ASP A 1 102 ? 22.472 6.437 19.333 1.0 15.42 ? 102 ASP A CG 1 102 . A ATOM 822 O OD1 . ASP A 1 102 ? 21.694 5.759 20.024 1.0 16.71 ? 102 ASP A OD1 1 102 . A ATOM 823 O OD2 . ASP A 1 102 ? 23.698 6.123 19.250 1.0 19.73 ? 102 ASP A OD2 1 102 . A ATOM 824 N N . THR A 1 103 ? 19.263 5.536 17.672 1.0 8.41 ? 103 THR A N 1 103 . A ATOM 825 C CA . THR A 1 103 ? 18.983 4.235 17.032 1.0 8.56 ? 103 THR A CA 1 103 . A ATOM 826 C C . THR A 1 103 ? 18.831 4.379 15.545 1.0 8.78 ? 103 THR A C 1 103 . A ATOM 827 O O . THR A 1 103 ? 18.165 5.297 15.059 1.0 8.52 ? 103 THR A O 1 103 . A ATOM 828 C CB . THR A 1 103 ? 17.690 3.633 17.611 1.0 9.12 ? 103 THR A CB 1 103 . A ATOM 829 O OG1 . THR A 1 103 ? 17.881 3.421 19.004 1.0 9.32 ? 103 THR A OG1 1 103 . A ATOM 830 C CG2 . THR A 1 103 ? 17.334 2.293 16.936 1.0 8.8 ? 103 THR A CG2 1 103 . A ATOM 831 N N . ASN A 1 104 ? 19.444 3.448 14.814 1.0 9.13 ? 104 ASN A N 1 104 . A ATOM 832 C CA . ASN A 1 104 ? 19.301 3.444 13.362 1.0 11.06 ? 104 ASN A CA 1 104 . A ATOM 833 C C . ASN A 1 104 ? 18.013 2.677 13.049 1.0 10.89 ? 104 ASN A C 1 104 . A ATOM 834 O O . ASN A 1 104 ? 18.020 1.485 12.726 1.0 10.08 ? 104 ASN A O 1 104 . A ATOM 835 C CB . ASN A 1 104 ? 20.551 2.775 12.753 1.0 11.24 ? 104 ASN A CB 1 104 . A ATOM 836 C CG . ASN A 1 104 ? 20.624 2.915 11.264 1.0 13.05 ? 104 ASN A CG 1 104 . A ATOM 837 O OD1 . ASN A 1 104 ? 21.582 2.432 10.620 1.0 16.5 ? 104 ASN A OD1 1 104 . A ATOM 838 N ND2 . ASN A 1 104 ? 19.643 3.578 10.692 1.0 12.62 ? 104 ASN A ND2 1 104 . A ATOM 839 N N . PHE A 1 105 ? 16.891 3.388 13.130 1.0 9.19 ? 105 PHE A N 1 105 . A ATOM 840 C CA . PHE A 1 105 ? 15.593 2.792 12.876 1.0 9.81 ? 105 PHE A CA 1 105 . A ATOM 841 C C . PHE A 1 105 ? 15.532 2.215 11.477 1.0 10.39 ? 105 PHE A C 1 105 . A ATOM 842 O O . PHE A 1 105 ? 16.103 2.750 10.526 1.0 10.09 ? 105 PHE A O 1 105 . A ATOM 843 C CB . PHE A 1 105 ? 14.467 3.818 13.005 1.0 10.15 ? 105 PHE A CB 1 105 . A ATOM 844 C CG . PHE A 1 105 ? 14.191 4.277 14.423 1.0 10.27 ? 105 PHE A CG 1 105 . A ATOM 845 C CD1 . PHE A 1 105 ? 14.041 5.641 14.682 1.0 11.14 ? 105 PHE A CD1 1 105 . A ATOM 846 C CD2 . PHE A 1 105 ? 13.948 3.368 15.443 1.0 10.97 ? 105 PHE A CD2 1 105 . A ATOM 847 C CE1 . PHE A 1 105 ? 13.629 6.087 15.946 1.0 9.95 ? 105 PHE A CE1 1 105 . A ATOM 848 C CE2 . PHE A 1 105 ? 13.537 3.814 16.708 1.0 9.9 ? 105 PHE A CE2 1 105 . A ATOM 849 C CZ . PHE A 1 105 ? 13.380 5.162 16.936 1.0 10.72 ? 105 PHE A CZ 1 105 . A ATOM 850 N N . ALA A 1 106 ? 14.778 1.132 11.394 1.0 10.66 ? 106 ALA A N 1 106 . A ATOM 851 C CA . ALA A 1 106 ? 14.560 0.404 10.159 1.0 11.26 ? 106 ALA A CA 1 106 . A ATOM 852 C C . ALA A 1 106 ? 13.858 1.299 9.131 1.0 12.68 ? 106 ALA A C 1 106 . A ATOM 853 O O . ALA A 1 106 ? 13.157 2.269 9.471 1.0 11.2 ? 106 ALA A O 1 106 . A ATOM 854 C CB . ALA A 1 106 ? 13.703 -0.782 10.443 1.0 11.55 ? 106 ALA A CB 1 106 . A ATOM 855 N N . ARG A 1 107 ? 14.048 0.929 7.881 1.0 13.13 ? 107 ARG A N 1 107 . A ATOM 856 C CA . ARG A 1 107 ? 13.426 1.600 6.746 1.0 14.26 ? 107 ARG A CA 1 107 . A ATOM 857 C C . ARG A 1 107 ? 13.813 3.047 6.603 1.0 14.14 ? 107 ARG A C 1 107 . A ATOM 858 O O . ARG A 1 107 ? 13.060 3.842 6.048 1.0 14.9 ? 107 ARG A O 1 107 . A ATOM 859 C CB . ARG A 1 107 ? 11.919 1.409 6.855 1.0 16.87 ? 107 ARG A CB 1 107 . A ATOM 860 C CG . ARG A 1 107 ? 11.563 -0.070 7.005 1.0 22.38 ? 107 ARG A CG 1 107 . A ATOM 861 C CD . ARG A 1 107 ? 10.309 -0.451 6.254 1.0 26.87 ? 107 ARG A CD 1 107 . A ATOM 862 N NE . ARG A 1 107 ? 9.210 0.482 6.454 1.0 30.88 ? 107 ARG A NE 1 107 . A ATOM 863 C CZ . ARG A 1 107 ? 8.011 0.354 5.890 1.0 32.18 ? 107 ARG A CZ 1 107 . A ATOM 864 N NH1 . ARG A 1 107 ? 7.761 -0.671 5.087 1.0 34.06 ? 107 ARG A NH1 1 107 . A ATOM 865 N NH2 . ARG A 1 107 ? 7.057 1.242 6.133 1.0 32.91 ? 107 ARG A NH2 1 107 . A ATOM 866 N N . ASN A 1 108 ? 15.012 3.373 7.073 1.0 12.87 ? 108 ASN A N 1 108 . A ATOM 867 C CA . ASN A 1 108 ? 15.569 4.703 7.007 1.0 13.58 ? 108 ASN A CA 1 108 . A ATOM 868 C C . ASN A 1 108 ? 14.642 5.680 7.682 1.0 12.49 ? 108 ASN A C 1 108 . A ATOM 869 O O . ASN A 1 108 ? 14.506 6.822 7.252 1.0 13.02 ? 108 ASN A O 1 108 . A ATOM 870 C CB . ASN A 1 108 ? 15.788 5.101 5.551 1.0 15.59 ? 108 ASN A CB 1 108 . A ATOM 871 C CG . ASN A 1 108 ? 16.934 6.025 5.395 1.0 18.35 ? 108 ASN A CG 1 108 . A ATOM 872 O OD1 . ASN A 1 108 ? 17.875 6.001 6.194 1.0 19.81 ? 108 ASN A OD1 1 108 . A ATOM 873 N ND2 . ASN A 1 108 ? 16.905 6.833 4.337 1.0 20.04 ? 108 ASN A ND2 1 108 . A ATOM 874 N N . THR A 1 109 ? 14.033 5.229 8.769 1.0 10.3 ? 109 THR A N 1 109 . A ATOM 875 C CA . THR A 1 109 ? 13.078 6.065 9.516 1.0 9.19 ? 109 THR A CA 1 109 . A ATOM 876 C C . THR A 1 109 ? 13.773 6.999 10.486 1.0 8.83 ? 109 THR A C 1 109 . A ATOM 877 O O . THR A 1 109 ? 14.705 6.588 11.197 1.0 9.19 ? 109 THR A O 1 109 . A ATOM 878 C CB . THR A 1 109 ? 12.085 5.175 10.291 1.0 9.29 ? 109 THR A CB 1 109 . A ATOM 879 O OG1 . THR A 1 109 ? 11.343 4.397 9.340 1.0 10.43 ? 109 THR A OG1 1 109 . A ATOM 880 C CG2 . THR A 1 109 ? 11.116 5.990 11.163 1.0 9.14 ? 109 THR A CG2 1 109 . A ATOM 881 N N . ILE A 1 110 ? 13.366 8.275 10.456 1.0 8.13 ? 110 ILE A N 1 110 . A ATOM 882 C CA . ILE A 1 110 ? 13.941 9.285 11.329 1.0 7.86 ? 110 ILE A CA 1 110 . A ATOM 883 C C . ILE A 1 110 ? 12.936 9.771 12.378 1.0 7.88 ? 110 ILE A C 1 110 . A ATOM 884 O O . ILE A 1 110 ? 13.321 10.469 13.290 1.0 8.48 ? 110 ILE A O 1 110 . A ATOM 885 C CB . ILE A 1 110 ? 14.493 10.509 10.531 1.0 7.89 ? 110 ILE A CB 1 110 . A ATOM 886 C CG1 . ILE A 1 110 ? 13.400 11.156 9.685 1.0 7.73 ? 110 ILE A CG1 1 110 . A ATOM 887 C CG2 . ILE A 1 110 ? 15.693 10.052 9.634 1.0 9.29 ? 110 ILE A CG2 1 110 . A ATOM 888 C CD1 . ILE A 1 110 ? 13.898 12.497 9.035 1.0 10.63 ? 110 ILE A CD1 1 110 . A ATOM 889 N N . GLY A 1 111 ? 11.669 9.376 12.249 1.0 6.41 ? 111 GLY A N 1 111 . A ATOM 890 C CA . GLY A 1 111 ? 10.647 9.780 13.214 1.0 7.38 ? 111 GLY A CA 1 111 . A ATOM 891 C C . GLY A 1 111 ? 9.352 9.039 12.994 1.0 7.36 ? 111 GLY A C 1 111 . A ATOM 892 O O . GLY A 1 111 ? 9.074 8.620 11.875 1.0 7.79 ? 111 GLY A O 1 111 . A ATOM 893 N N . TRP A 1 112 ? 8.525 8.955 14.024 1.0 7.4 ? 112 TRP A N 1 112 . A ATOM 894 C CA . TRP A 1 112 ? 7.259 8.239 13.909 1.0 7.69 ? 112 TRP A CA 1 112 . A ATOM 895 C C . TRP A 1 112 ? 6.374 8.654 15.077 1.0 7.71 ? 112 TRP A C 1 112 . A ATOM 896 O O . TRP A 1 112 ? 6.861 8.867 16.185 1.0 8.28 ? 112 TRP A O 1 112 . A ATOM 897 C CB . TRP A 1 112 ? 7.520 6.713 13.957 1.0 8.11 ? 112 TRP A CB 1 112 . A ATOM 898 C CG . TRP A 1 112 ? 6.329 5.900 13.529 1.0 9.73 ? 112 TRP A CG 1 112 . A ATOM 899 C CD1 . TRP A 1 112 ? 6.071 5.456 12.260 1.0 11.2 ? 112 TRP A CD1 1 112 . A ATOM 900 C CD2 . TRP A 1 112 ? 5.234 5.471 14.338 1.0 9.85 ? 112 TRP A CD2 1 112 . A ATOM 901 N NE1 . TRP A 1 112 ? 4.878 4.774 12.238 1.0 11.96 ? 112 TRP A NE1 1 112 . A ATOM 902 C CE2 . TRP A 1 112 ? 4.343 4.765 13.497 1.0 11.13 ? 112 TRP A CE2 1 112 . A ATOM 903 C CE3 . TRP A 1 112 ? 4.910 5.617 15.695 1.0 8.46 ? 112 TRP A CE3 1 112 . A ATOM 904 C CZ2 . TRP A 1 112 ? 3.161 4.204 13.973 1.0 11.5 ? 112 TRP A CZ2 1 112 . A ATOM 905 C CZ3 . TRP A 1 112 ? 3.725 5.062 16.169 1.0 9.67 ? 112 TRP A CZ3 1 112 . A ATOM 906 C CH2 . TRP A 1 112 ? 2.868 4.358 15.307 1.0 10.28 ? 112 TRP A CH2 1 112 . A ATOM 907 N N . ALA A 1 113 ? 5.066 8.767 14.837 1.0 7.79 ? 113 ALA A N 1 113 . A ATOM 908 C CA . ALA A 1 113 ? 4.135 9.107 15.910 1.0 7.92 ? 113 ALA A CA 1 113 . A ATOM 909 C C . ALA A 1 113 ? 2.745 8.598 15.548 1.0 8.68 ? 113 ALA A C 1 113 . A ATOM 910 O O . ALA A 1 113 ? 2.473 8.265 14.407 1.0 9.54 ? 113 ALA A O 1 113 . A ATOM 911 C CB . ALA A 1 113 ? 4.076 10.611 16.089 1.0 8.38 ? 113 ALA A CB 1 113 . A ATOM 912 N N . TYR A 1 114 ? 1.891 8.509 16.542 1.0 8.6 ? 114 TYR A N 1 114 . A ATOM 913 C CA . TYR A 1 114 ? 0.514 8.114 16.318 1.0 8.81 ? 114 TYR A CA 1 114 . A ATOM 914 C C . TYR A 1 114 ? -0.230 9.348 15.768 1.0 9.31 ? 114 TYR A C 1 114 . A ATOM 915 O O . TYR A 1 114 ? 0.017 10.497 16.200 1.0 9.17 ? 114 TYR A O 1 114 . A ATOM 916 C CB . TYR A 1 114 ? -0.117 7.697 17.640 1.0 9.12 ? 114 TYR A CB 1 114 . A ATOM 917 C CG . TYR A 1 114 ? 0.517 6.477 18.226 1.0 10.31 ? 114 TYR A CG 1 114 . A ATOM 918 C CD1 . TYR A 1 114 ? 0.185 5.206 17.752 1.0 10.25 ? 114 TYR A CD1 1 114 . A ATOM 919 C CD2 . TYR A 1 114 ? 1.484 6.578 19.227 1.0 10.08 ? 114 TYR A CD2 1 114 . A ATOM 920 C CE1 . TYR A 1 114 ? 0.800 4.060 18.271 1.0 10.53 ? 114 TYR A CE1 1 114 . A ATOM 921 C CE2 . TYR A 1 114 ? 2.126 5.439 19.736 1.0 10.03 ? 114 TYR A CE2 1 114 . A ATOM 922 C CZ . TYR A 1 114 ? 1.767 4.181 19.251 1.0 10.84 ? 114 TYR A CZ 1 114 . A ATOM 923 O OH . TYR A 1 114 ? 2.419 3.100 19.763 1.0 12.86 ? 114 TYR A OH 1 114 . A ATOM 924 N N . VAL A 1 115 ? -1.160 9.133 14.854 1.0 9.03 ? 115 VAL A N 1 115 . A ATOM 925 C CA . VAL A 1 115 ? -1.911 10.242 14.299 1.0 10.41 ? 115 VAL A CA 1 115 . A ATOM 926 C C . VAL A 1 115 ? -3.138 10.658 15.131 1.0 10.07 ? 115 VAL A C 1 115 . A ATOM 927 O O . VAL A 1 115 ? -4.016 9.826 15.478 1.0 11.68 ? 115 VAL A O 1 115 . A ATOM 928 C CB . VAL A 1 115 ? -2.377 9.921 12.837 1.0 11.18 ? 115 VAL A CB 1 115 . A ATOM 929 C CG1 . VAL A 1 115 ? -3.234 11.067 12.274 1.0 12.59 ? 115 VAL A CG1 1 115 . A ATOM 930 C CG2 . VAL A 1 115 ? -1.167 9.703 11.954 1.0 12.52 ? 115 VAL A CG2 1 115 . A ATOM 931 N N . GLY A 1 116 ? -3.178 11.943 15.468 1.0 10.21 ? 116 GLY A N 1 116 . A ATOM 932 C CA . GLY A 1 116 ? -4.334 12.530 16.135 1.0 10.8 ? 116 GLY A CA 1 116 . A ATOM 933 C C . GLY A 1 116 ? -4.646 12.113 17.541 1.0 11.21 ? 116 GLY A C 1 116 . A ATOM 934 O O . GLY A 1 116 ? -5.790 12.239 17.981 1.0 13.24 ? 116 GLY A O 1 116 . A ATOM 935 N N . ARG A 1 117 ? -3.637 11.651 18.251 1.0 10.64 ? 117 ARG A N 1 117 . A ATOM 936 C CA . ARG A 1 117 ? -3.832 11.202 19.607 1.0 10.89 ? 117 ARG A CA 1 117 . A ATOM 937 C C . ARG A 1 117 ? -3.272 12.119 20.691 1.0 9.35 ? 117 ARG A C 1 117 . A ATOM 938 O O . ARG A 1 117 ? -3.030 11.688 21.801 1.0 9.98 ? 117 ARG A O 1 117 . A ATOM 939 C CB . ARG A 1 117 ? -3.257 9.800 19.752 1.0 12.83 ? 117 ARG A CB 1 117 . A ATOM 940 C CG . ARG A 1 117 ? -4.011 8.741 18.954 1.0 16.44 ? 117 ARG A CG 1 117 . A ATOM 941 C CD . ARG A 1 117 ? -5.427 8.501 19.504 1.0 21.64 ? 117 ARG A CD 1 117 . A ATOM 942 N NE . ARG A 1 117 ? -5.872 7.156 19.147 1.0 26.87 ? 117 ARG A NE 1 117 . A ATOM 943 C CZ . ARG A 1 117 ? -6.220 6.224 20.026 1.0 26.98 ? 117 ARG A CZ 1 117 . A ATOM 944 N NH1 . ARG A 1 117 ? -6.186 6.476 21.327 1.0 28.85 ? 117 ARG A NH1 1 117 . A ATOM 945 N NH2 . ARG A 1 117 ? -6.595 5.025 19.599 1.0 30.14 ? 117 ARG A NH2 1 117 . A ATOM 946 N N . MET A 1 118 ? -3.067 13.381 20.370 1.0 9.68 ? 118 MET A N 1 118 . A ATOM 947 C CA . MET A 1 118 ? -2.622 14.351 21.366 1.0 9.63 ? 118 MET A CA 1 118 . A ATOM 948 C C . MET A 1 118 ? -3.489 14.254 22.627 1.0 9.97 ? 118 MET A C 1 118 . A ATOM 949 O O . MET A 1 118 ? -4.744 14.159 22.556 1.0 10.81 ? 118 MET A O 1 118 . A ATOM 950 C CB . MET A 1 118 ? -2.713 15.763 20.760 1.0 9.73 ? 118 MET A CB 1 118 . A ATOM 951 C CG . MET A 1 118 ? -2.422 16.921 21.728 1.0 10.22 ? 118 MET A CG 1 118 . A ATOM 952 S SD . MET A 1 118 ? -0.785 16.849 22.489 1.0 9.94 ? 118 MET A SD 1 118 . A ATOM 953 C CE . MET A 1 118 ? 0.244 16.806 20.993 1.0 9.77 ? 118 MET A CE 1 118 . A ATOM 954 N N . CYS A 1 119 ? -2.789 14.245 23.758 1.0 9.28 ? 119 CYS A N 1 119 . A ATOM 955 C CA . CYS A 1 119 ? -3.343 14.151 25.117 1.0 10.87 ? 119 CYS A CA 1 119 . A ATOM 956 C C . CYS A 1 119 ? -3.598 12.734 25.609 1.0 11.23 ? 119 CYS A C 1 119 . A ATOM 957 O O . CYS A 1 119 ? -3.699 12.530 26.831 1.0 12.66 ? 119 CYS A O 1 119 . A ATOM 958 C CB . CYS A 1 119 ? -4.639 14.958 25.269 1.0 11.92 ? 119 CYS A CB 1 119 . A ATOM 959 S SG . CYS A 1 119 ? -4.417 16.750 25.088 1.0 14.36 ? 119 CYS A SG 1 119 . A ATOM 960 N N . ASP A 1 120 ? -3.683 11.768 24.699 1.0 12.31 ? 120 ASP A N 1 120 . A ATOM 961 C CA . ASP A 1 120 ? -3.908 10.396 25.142 1.0 12.57 ? 120 ASP A CA 1 120 . A ATOM 962 C C . ASP A 1 120 ? -2.776 9.913 26.049 1.0 12.46 ? 120 ASP A C 1 120 . A ATOM 963 O O . ASP A 1 120 ? -1.602 10.136 25.761 1.0 12.18 ? 120 ASP A O 1 120 . A ATOM 964 C CB . ASP A 1 120 ? -4.036 9.459 23.960 1.0 14.3 ? 120 ASP A CB 1 120 . A ATOM 965 C CG . ASP A 1 120 ? -4.509 8.071 24.385 1.0 16.07 ? 120 ASP A CG 1 120 . A ATOM 966 O OD1 . ASP A 1 120 ? -3.683 7.215 24.749 1.0 15.81 ? 120 ASP A OD1 1 120 . A ATOM 967 O OD2 . ASP A 1 120 ? -5.743 7.871 24.377 1.0 18.75 ? 120 ASP A OD2 1 120 . A ATOM 968 N N . GLU A 1 121 ? -3.113 9.249 27.152 1.0 12.56 ? 121 GLU A N 1 121 . A ATOM 969 C CA . GLU A 1 121 ? -2.088 8.815 28.077 1.0 13.61 ? 121 GLU A CA 1 121 . A ATOM 970 C C . GLU A 1 121 ? -1.036 7.903 27.469 1.0 13.27 ? 121 GLU A C 1 121 . A ATOM 971 O O . GLU A 1 121 ? 0.125 7.982 27.828 1.0 13.81 ? 121 GLU A O 1 121 . A ATOM 972 C CB . GLU A 1 121 ? -2.726 8.156 29.322 1.0 16.61 ? 121 GLU A CB 1 121 . A ATOM 973 C CG . GLU A 1 121 ? -3.543 9.118 30.161 1.0 21.53 ? 121 GLU A CG 1 121 . A ATOM 974 C CD . GLU A 1 121 ? -3.942 8.536 31.510 1.0 24.64 ? 121 GLU A CD 1 121 . A ATOM 975 O OE1 . GLU A 1 121 ? -4.407 7.374 31.550 1.0 26.42 ? 121 GLU A OE1 1 121 . A ATOM 976 O OE2 . GLU A 1 121 ? -3.801 9.250 32.517 1.0 26.47 ? 121 GLU A OE2 1 121 . A ATOM 977 N N . LYS A 1 122 ? -1.432 7.058 26.534 1.0 12.02 ? 122 LYS A N 1 122 . A ATOM 978 C CA . LYS A 1 122 ? -0.487 6.152 25.913 1.0 13.04 ? 122 LYS A CA 1 122 . A ATOM 979 C C . LYS A 1 122 ? -0.051 6.587 24.523 1.0 12.08 ? 122 LYS A C 1 122 . A ATOM 980 O O . LYS A 1 122 ? 1.106 6.377 24.153 1.0 13.37 ? 122 LYS A O 1 122 . A ATOM 981 C CB . LYS A 1 122 ? -1.093 4.757 25.776 1.0 15.32 ? 122 LYS A CB 1 122 . A ATOM 982 C CG . LYS A 1 122 ? -0.243 3.798 24.911 1.0 17.64 ? 122 LYS A CG 1 122 . A ATOM 983 C CD . LYS A 1 122 ? -0.807 2.379 24.971 1.0 21.25 ? 122 LYS A CD 1 122 . A ATOM 984 C CE . LYS A 1 122 ? -0.278 1.476 23.847 1.0 22.03 ? 122 LYS A CE 1 122 . A ATOM 985 N NZ . LYS A 1 122 ? 1.196 1.262 23.853 1.0 22.5 ? 122 LYS A NZ 1 122 . A ATOM 986 N N . TYR A 1 123 ? -0.952 7.218 23.773 1.0 11.26 ? 123 TYR A N 1 123 . A ATOM 987 C CA . TYR A 1 123 ? -0.648 7.537 22.381 1.0 10.4 ? 123 TYR A CA 1 123 . A ATOM 988 C C . TYR A 1 123 ? -0.197 8.949 22.063 1.0 8.51 ? 123 TYR A C 1 123 . A ATOM 989 O O . TYR A 1 123 ? 0.038 9.270 20.896 1.0 8.78 ? 123 TYR A O 1 123 . A ATOM 990 C CB . TYR A 1 123 ? -1.851 7.153 21.514 1.0 11.89 ? 123 TYR A CB 1 123 . A ATOM 991 C CG . TYR A 1 123 ? -2.111 5.668 21.574 1.0 14.08 ? 123 TYR A CG 1 123 . A ATOM 992 C CD1 . TYR A 1 123 ? -3.253 5.173 22.192 1.0 15.41 ? 123 TYR A CD1 1 123 . A ATOM 993 C CD2 . TYR A 1 123 ? -1.208 4.772 21.029 1.0 14.5 ? 123 TYR A CD2 1 123 . A ATOM 994 C CE1 . TYR A 1 123 ? -3.487 3.786 22.261 1.0 17.52 ? 123 TYR A CE1 1 123 . A ATOM 995 C CE2 . TYR A 1 123 ? -1.428 3.388 21.094 1.0 16.58 ? 123 TYR A CE2 1 123 . A ATOM 996 C CZ . TYR A 1 123 ? -2.569 2.922 21.710 1.0 17.3 ? 123 TYR A CZ 1 123 . A ATOM 997 O OH . TYR A 1 123 ? -2.821 1.561 21.769 1.0 20.0 ? 123 TYR A OH 1 123 . A ATOM 998 N N . SER A 1 124 ? -0.089 9.791 23.082 1.0 8.67 ? 124 SER A N 1 124 . A ATOM 999 C CA . SER A 1 124 ? 0.412 11.155 22.819 1.0 8.04 ? 124 SER A CA 1 124 . A ATOM 1000 C C . SER A 1 124 ? 1.939 11.096 22.900 1.0 8.09 ? 124 SER A C 1 124 . A ATOM 1001 O O . SER A 1 124 ? 2.562 11.675 23.799 1.0 7.34 ? 124 SER A O 1 124 . A ATOM 1002 C CB . SER A 1 124 ? -0.117 12.139 23.860 1.0 8.92 ? 124 SER A CB 1 124 . A ATOM 1003 O OG . SER A 1 124 ? 0.115 13.474 23.379 1.0 8.66 ? 124 SER A OG 1 124 . A ATOM 1004 N N . VAL A 1 125 ? 2.540 10.375 21.950 1.0 7.09 ? 125 VAL A N 1 125 . A ATOM 1005 C CA . VAL A 1 125 ? 3.996 10.204 21.946 1.0 7.46 ? 125 VAL A CA 1 125 . A ATOM 1006 C C . VAL A 1 125 ? 4.515 10.131 20.514 1.0 7.38 ? 125 VAL A C 1 125 . A ATOM 1007 O O . VAL A 1 125 ? 3.764 9.903 19.547 1.0 8.48 ? 125 VAL A O 1 125 . A ATOM 1008 C CB . VAL A 1 125 ? 4.481 8.872 22.682 1.0 8.2 ? 125 VAL A CB 1 125 . A ATOM 1009 C CG1 . VAL A 1 125 ? 4.078 8.899 24.148 1.0 7.81 ? 125 VAL A CG1 1 125 . A ATOM 1010 C CG2 . VAL A 1 125 ? 3.891 7.601 21.993 1.0 8.46 ? 125 VAL A CG2 1 125 . A ATOM 1011 N N . ALA A 1 126 ? 5.817 10.344 20.403 1.0 7.75 ? 126 ALA A N 1 126 . A ATOM 1012 C CA . ALA A 1 126 ? 6.543 10.226 19.144 1.0 7.39 ? 126 ALA A CA 1 126 . A ATOM 1013 C C . ALA A 1 126 ? 7.929 9.717 19.503 1.0 7.4 ? 126 ALA A C 1 126 . A ATOM 1014 O O . ALA A 1 126 ? 8.381 9.849 20.648 1.0 8.01 ? 126 ALA A O 1 126 . A ATOM 1015 C CB . ALA A 1 126 ? 6.679 11.584 18.436 1.0 8.32 ? 126 ALA A CB 1 126 . A ATOM 1016 N N . VAL A 1 127 ? 8.581 9.102 18.513 1.0 7.47 ? 127 VAL A N 1 127 . A ATOM 1017 C CA . VAL A 1 127 ? 9.963 8.650 18.650 1.0 7.04 ? 127 VAL A CA 1 127 . A ATOM 1018 C C . VAL A 1 127 ? 10.716 9.334 17.508 1.0 7.89 ? 127 VAL A C 1 127 . A ATOM 1019 O O . VAL A 1 127 ? 10.252 9.398 16.364 1.0 7.53 ? 127 VAL A O 1 127 . A ATOM 1020 C CB . VAL A 1 127 ? 10.140 7.105 18.602 1.0 8.2 ? 127 VAL A CB 1 127 . A ATOM 1021 C CG1 . VAL A 1 127 ? 9.314 6.487 19.751 1.0 8.26 ? 127 VAL A CG1 1 127 . A ATOM 1022 C CG2 . VAL A 1 127 ? 9.704 6.484 17.269 1.0 9.07 ? 127 VAL A CG2 1 127 . A ATOM 1023 N N . VAL A 1 128 ? 11.856 9.905 17.841 1.0 7.18 ? 128 VAL A N 1 128 . A ATOM 1024 C CA . VAL A 1 128 ? 12.645 10.683 16.880 1.0 7.34 ? 128 VAL A CA 1 128 . A ATOM 1025 C C . VAL A 1 128 ? 14.121 10.363 16.952 1.0 6.82 ? 128 VAL A C 1 128 . A ATOM 1026 O O . VAL A 1 128 ? 14.710 10.308 18.028 1.0 7.44 ? 128 VAL A O 1 128 . A ATOM 1027 C CB . VAL A 1 128 ? 12.466 12.186 17.175 1.0 6.62 ? 128 VAL A CB 1 128 . A ATOM 1028 C CG1 . VAL A 1 128 ? 13.336 13.024 16.257 1.0 7.75 ? 128 VAL A CG1 1 128 . A ATOM 1029 C CG2 . VAL A 1 128 ? 10.995 12.566 17.009 1.0 9.33 ? 128 VAL A CG2 1 128 . A ATOM 1030 N N . LYS A 1 129 ? 14.710 10.132 15.787 1.0 6.96 ? 129 LYS A N 1 129 . A ATOM 1031 C CA . LYS A 1 129 ? 16.134 9.864 15.711 1.0 6.35 ? 129 LYS A CA 1 129 . A ATOM 1032 C C . LYS A 1 129 ? 16.900 11.193 15.674 1.0 7.63 ? 129 LYS A C 1 129 . A ATOM 1033 O O . LYS A 1 129 ? 16.510 12.120 14.965 1.0 7.64 ? 129 LYS A O 1 129 . A ATOM 1034 C CB . LYS A 1 129 ? 16.417 9.050 14.424 1.0 7.97 ? 129 LYS A CB 1 129 . A ATOM 1035 C CG . LYS A 1 129 ? 17.887 8.637 14.237 1.0 8.5 ? 129 LYS A CG 1 129 . A ATOM 1036 C CD . LYS A 1 129 ? 18.074 7.939 12.881 1.0 9.94 ? 129 LYS A CD 1 129 . A ATOM 1037 C CE . LYS A 1 129 ? 19.458 7.321 12.737 1.0 11.51 ? 129 LYS A CE 1 129 . A ATOM 1038 N NZ . LYS A 1 129 ? 19.659 6.744 11.369 1.0 12.0 ? 129 LYS A NZ 1 129 . A ATOM 1039 N N . ASP A 1 130 ? 17.967 11.298 16.461 1.0 7.96 ? 130 ASP A N 1 130 . A ATOM 1040 C CA . ASP A 1 130 ? 18.838 12.489 16.471 1.0 8.87 ? 130 ASP A CA 1 130 . A ATOM 1041 C C . ASP A 1 130 ? 19.719 12.273 15.232 1.0 9.23 ? 130 ASP A C 1 130 . A ATOM 1042 O O . ASP A 1 130 ? 20.932 11.939 15.318 1.0 10.74 ? 130 ASP A O 1 130 . A ATOM 1043 C CB . ASP A 1 130 ? 19.663 12.444 17.754 1.0 10.28 ? 130 ASP A CB 1 130 . A ATOM 1044 C CG . ASP A 1 130 ? 20.486 13.671 17.948 1.0 11.1 ? 130 ASP A CG 1 130 . A ATOM 1045 O OD1 . ASP A 1 130 ? 21.730 13.531 18.132 1.0 12.35 ? 130 ASP A OD1 1 130 . A ATOM 1046 O OD2 . ASP A 1 130 ? 19.922 14.776 17.902 1.0 11.37 ? 130 ASP A OD2 1 130 . A ATOM 1047 N N . HIS A 1 131 ? 19.107 12.526 14.070 1.0 8.84 ? 131 HIS A N 1 131 . A ATOM 1048 C CA . HIS A 1 131 ? 19.681 12.177 12.769 1.0 9.5 ? 131 HIS A CA 1 131 . A ATOM 1049 C C . HIS A 1 131 ? 20.497 13.206 12.025 1.0 10.37 ? 131 HIS A C 1 131 . A ATOM 1050 O O . HIS A 1 131 ? 20.818 13.016 10.841 1.0 11.37 ? 131 HIS A O 1 131 . A ATOM 1051 C CB . HIS A 1 131 ? 18.525 11.649 11.880 1.0 8.82 ? 131 HIS A CB 1 131 . A ATOM 1052 C CG . HIS A 1 131 ? 17.571 12.716 11.447 1.0 8.55 ? 131 HIS A CG 1 131 . A ATOM 1053 N ND1 . HIS A 1 131 ? 17.804 13.509 10.333 1.0 8.51 ? 131 HIS A ND1 1 131 . A ATOM 1054 C CD2 . HIS A 1 131 ? 16.439 13.183 12.021 1.0 10.26 ? 131 HIS A CD2 1 131 . A ATOM 1055 C CE1 . HIS A 1 131 ? 16.850 14.430 10.261 1.0 9.96 ? 131 HIS A CE1 1 131 . A ATOM 1056 N NE2 . HIS A 1 131 ? 16.017 14.252 11.270 1.0 10.21 ? 131 HIS A NE2 1 131 . A ATOM 1057 N N . SER A 1 132 ? 20.845 14.292 12.693 1.0 10.14 ? 132 SER A N 1 132 . A ATOM 1058 C CA . SER A 1 132 ? 21.645 15.351 12.055 1.0 11.63 ? 132 SER A CA 1 132 . A ATOM 1059 C C . SER A 1 132 ? 22.374 16.112 13.134 1.0 12.28 ? 132 SER A C 1 132 . A ATOM 1060 O O . SER A 1 132 ? 21.877 16.218 14.267 1.0 12.15 ? 132 SER A O 1 132 . A ATOM 1061 C CB . SER A 1 132 ? 20.717 16.344 11.311 1.0 11.47 ? 132 SER A CB 1 132 . A ATOM 1062 O OG . SER A 1 132 ? 21.465 17.396 10.714 1.0 12.54 ? 132 SER A OG 1 132 . A ATOM 1063 N N . SER A 1 133 ? 23.551 16.645 12.798 1.0 12.91 ? 133 SER A N 1 133 . A ATOM 1064 C CA . SER A 1 133 ? 24.267 17.467 13.759 1.0 13.99 ? 133 SER A CA 1 133 . A ATOM 1065 C C . SER A 1 133 ? 23.501 18.802 13.836 1.0 14.07 ? 133 SER A C 1 133 . A ATOM 1066 O O . SER A 1 133 ? 23.578 19.498 14.868 1.0 15.07 ? 133 SER A O 1 133 . A ATOM 1067 C CB . SER A 1 133 ? 25.722 17.715 13.323 1.0 14.76 ? 133 SER A CB 1 133 . A ATOM 1068 O OG . SER A 1 133 ? 25.801 18.256 12.027 1.0 15.44 ? 133 SER A OG 1 133 . A ATOM 1069 N N . LYS A 1 134 ? 22.749 19.126 12.769 1.0 13.34 ? 134 LYS A N 1 134 . A ATOM 1070 C CA . LYS A 1 134 ? 21.978 20.372 12.721 1.0 13.05 ? 134 LYS A CA 1 134 . A ATOM 1071 C C . LYS A 1 134 ? 20.759 20.282 13.626 1.0 11.49 ? 134 LYS A C 1 134 . A ATOM 1072 O O . LYS A 1 134 ? 19.859 19.481 13.399 1.0 11.37 ? 134 LYS A O 1 134 . A ATOM 1073 C CB . LYS A 1 134 ? 21.510 20.687 11.303 1.0 15.17 ? 134 LYS A CB 1 134 . A ATOM 1074 C CG . LYS A 1 134 ? 22.631 20.980 10.311 1.0 18.75 ? 134 LYS A CG 1 134 . A ATOM 1075 C CD . LYS A 1 134 ? 22.039 21.353 8.947 1.0 22.06 ? 134 LYS A CD 1 134 . A ATOM 1076 C CE . LYS A 1 134 ? 23.139 21.706 7.955 1.0 24.74 ? 134 LYS A CE 1 134 . A ATOM 1077 N NZ . LYS A 1 134 ? 23.874 20.472 7.602 1.0 26.95 ? 134 LYS A NZ 1 134 . A ATOM 1078 N N . VAL A 1 135 ? 20.753 21.085 14.680 1.0 9.7 ? 135 VAL A N 1 135 . A ATOM 1079 C CA . VAL A 1 135 ? 19.640 21.067 15.613 1.0 9.07 ? 135 VAL A CA 1 135 . A ATOM 1080 C C . VAL A 1 135 ? 18.304 21.261 14.909 1.0 8.7 ? 135 VAL A C 1 135 . A ATOM 1081 O O . VAL A 1 135 ? 17.355 20.572 15.223 1.0 8.39 ? 135 VAL A O 1 135 . A ATOM 1082 C CB . VAL A 1 135 ? 19.787 22.144 16.705 1.0 9.96 ? 135 VAL A CB 1 135 . A ATOM 1083 C CG1 . VAL A 1 135 ? 18.506 22.277 17.495 1.0 11.19 ? 135 VAL A CG1 1 135 . A ATOM 1084 C CG2 . VAL A 1 135 ? 20.946 21.786 17.628 1.0 11.82 ? 135 VAL A CG2 1 135 . A ATOM 1085 N N . PHE A 1 136 ? 18.225 22.196 13.978 1.0 8.12 ? 136 PHE A N 1 136 . A ATOM 1086 C CA . PHE A 1 136 ? 16.963 22.422 13.292 1.0 6.82 ? 136 PHE A CA 1 136 . A ATOM 1087 C C . PHE A 1 136 ? 16.414 21.220 12.587 1.0 7.7 ? 136 PHE A C 1 136 . A ATOM 1088 O O . PHE A 1 136 ? 15.202 21.003 12.604 1.0 7.08 ? 136 PHE A O 1 136 . A ATOM 1089 C CB . PHE A 1 136 ? 17.094 23.587 12.298 1.0 8.83 ? 136 PHE A CB 1 136 . A ATOM 1090 C CG . PHE A 1 136 ? 15.808 23.857 11.548 1.0 8.52 ? 136 PHE A CG 1 136 . A ATOM 1091 C CD1 . PHE A 1 136 ? 14.737 24.541 12.158 1.0 9.35 ? 136 PHE A CD1 1 136 . A ATOM 1092 C CD2 . PHE A 1 136 ? 15.616 23.333 10.272 1.0 9.28 ? 136 PHE A CD2 1 136 . A ATOM 1093 C CE1 . PHE A 1 136 ? 13.501 24.684 11.470 1.0 10.06 ? 136 PHE A CE1 1 136 . A ATOM 1094 C CE2 . PHE A 1 136 ? 14.376 23.481 9.612 1.0 10.11 ? 136 PHE A CE2 1 136 . A ATOM 1095 C CZ . PHE A 1 136 ? 13.350 24.145 10.201 1.0 9.91 ? 136 PHE A CZ 1 136 . A ATOM 1096 N N . MET A 1 137 ? 17.290 20.437 11.952 1.0 7.15 ? 137 MET A N 1 137 . A ATOM 1097 C CA . MET A 1 137 ? 16.807 19.247 11.243 1.0 7.86 ? 137 MET A CA 1 137 . A ATOM 1098 C C . MET A 1 137 ? 16.162 18.229 12.184 1.0 7.84 ? 137 MET A C 1 137 . A ATOM 1099 O O . MET A 1 137 ? 15.178 17.564 11.810 1.0 8.21 ? 137 MET A O 1 137 . A ATOM 1100 C CB . MET A 1 137 ? 17.951 18.635 10.434 1.0 9.83 ? 137 MET A CB 1 137 . A ATOM 1101 C CG . MET A 1 137 ? 18.416 19.589 9.294 1.0 12.48 ? 137 MET A CG 1 137 . A ATOM 1102 S SD . MET A 1 137 ? 17.044 19.930 8.094 1.0 19.32 ? 137 MET A SD 1 137 . A ATOM 1103 C CE . MET A 1 137 ? 17.144 18.477 7.510 1.0 17.18 ? 137 MET A CE 1 137 . A ATOM 1104 N N . VAL A 1 138 ? 16.662 18.126 13.404 1.0 6.59 ? 138 VAL A N 1 138 . A ATOM 1105 C CA . VAL A 1 138 ? 16.050 17.219 14.347 1.0 7.09 ? 138 VAL A CA 1 138 . A ATOM 1106 C C . VAL A 1 138 ? 14.779 17.861 14.891 1.0 6.67 ? 138 VAL A C 1 138 . A ATOM 1107 O O . VAL A 1 138 ? 13.751 17.223 15.012 1.0 7.16 ? 138 VAL A O 1 138 . A ATOM 1108 C CB . VAL A 1 138 ? 17.017 16.852 15.477 1.0 6.98 ? 138 VAL A CB 1 138 . A ATOM 1109 C CG1 . VAL A 1 138 ? 16.350 15.822 16.412 1.0 8.45 ? 138 VAL A CG1 1 138 . A ATOM 1110 C CG2 . VAL A 1 138 ? 18.269 16.177 14.843 1.0 8.58 ? 138 VAL A CG2 1 138 . A ATOM 1111 N N . ALA A 1 139 ? 14.852 19.152 15.198 1.0 6.53 ? 139 ALA A N 1 139 . A ATOM 1112 C CA . ALA A 1 139 ? 13.679 19.833 15.713 1.0 6.52 ? 139 ALA A CA 1 139 . A ATOM 1113 C C . ALA A 1 139 ? 12.511 19.832 14.750 1.0 5.75 ? 139 ALA A C 1 139 . A ATOM 1114 O O . ALA A 1 139 ? 11.357 19.724 15.199 1.0 6.0 ? 139 ALA A O 1 139 . A ATOM 1115 C CB . ALA A 1 139 ? 14.017 21.299 16.092 1.0 6.84 ? 139 ALA A CB 1 139 . A ATOM 1116 N N . VAL A 1 140 ? 12.771 19.994 13.451 1.0 6.87 ? 140 VAL A N 1 140 . A ATOM 1117 C CA . VAL A 1 140 ? 11.645 19.987 12.530 1.0 6.88 ? 140 VAL A CA 1 140 . A ATOM 1118 C C . VAL A 1 140 ? 11.064 18.568 12.418 1.0 6.31 ? 140 VAL A C 1 140 . A ATOM 1119 O O . VAL A 1 140 ? 9.886 18.404 12.074 1.0 6.02 ? 140 VAL A O 1 140 . A ATOM 1120 C CB . VAL A 1 140 ? 12.071 20.605 11.148 1.0 6.79 ? 140 VAL A CB 1 140 . A ATOM 1121 C CG1 . VAL A 1 140 ? 13.018 19.692 10.388 1.0 7.52 ? 140 VAL A CG1 1 140 . A ATOM 1122 C CG2 . VAL A 1 140 ? 10.839 20.972 10.335 1.0 7.71 ? 140 VAL A CG2 1 140 . A ATOM 1123 N N . THR A 1 141 ? 11.874 17.547 12.697 1.0 6.42 ? 141 THR A N 1 141 . A ATOM 1124 C CA . THR A 1 141 ? 11.392 16.162 12.676 1.0 5.86 ? 141 THR A CA 1 141 . A ATOM 1125 C C . THR A 1 141 ? 10.467 15.983 13.901 1.0 5.33 ? 141 THR A C 1 141 . A ATOM 1126 O O . THR A 1 141 ? 9.372 15.413 13.800 1.0 5.54 ? 141 THR A O 1 141 . A ATOM 1127 C CB . THR A 1 141 ? 12.576 15.181 12.739 1.0 5.39 ? 141 THR A CB 1 141 . A ATOM 1128 O OG1 . THR A 1 141 ? 13.397 15.411 11.579 1.0 7.77 ? 141 THR A OG1 1 141 . A ATOM 1129 C CG2 . THR A 1 141 ? 12.072 13.750 12.732 1.0 6.22 ? 141 THR A CG2 1 141 . A ATOM 1130 N N . MET A 1 142 ? 10.896 16.495 15.060 1.0 6.08 ? 142 MET A N 1 142 . A ATOM 1131 C CA . MET A 1 142 ? 10.057 16.467 16.249 1.0 6.15 ? 142 MET A CA 1 142 . A ATOM 1132 C C . MET A 1 142 ? 8.735 17.204 15.991 1.0 5.85 ? 142 MET A C 1 142 . A ATOM 1133 O O . MET A 1 142 ? 7.656 16.746 16.420 1.0 6.34 ? 142 MET A O 1 142 . A ATOM 1134 C CB . MET A 1 142 ? 10.775 17.154 17.435 1.0 6.86 ? 142 MET A CB 1 142 . A ATOM 1135 C CG . MET A 1 142 ? 12.013 16.367 17.851 1.0 6.8 ? 142 MET A CG 1 142 . A ATOM 1136 S SD . MET A 1 142 ? 13.047 17.290 19.013 1.0 8.61 ? 142 MET A SD 1 142 . A ATOM 1137 C CE . MET A 1 142 ? 12.189 17.077 20.490 1.0 10.01 ? 142 MET A CE 1 142 . A ATOM 1138 N N . THR A 1 143 ? 8.809 18.309 15.256 1.0 6.4 ? 143 THR A N 1 143 . A ATOM 1139 C CA . THR A 1 143 ? 7.615 19.124 14.978 1.0 5.42 ? 143 THR A CA 1 143 . A ATOM 1140 C C . THR A 1 143 ? 6.691 18.398 13.997 1.0 5.8 ? 143 THR A C 1 143 . A ATOM 1141 O O . THR A 1 143 ? 5.479 18.436 14.180 1.0 5.97 ? 143 THR A O 1 143 . A ATOM 1142 C CB . THR A 1 143 ? 7.999 20.523 14.453 1.0 6.02 ? 143 THR A CB 1 143 . A ATOM 1143 O OG1 . THR A 1 143 ? 8.844 21.160 15.432 1.0 6.68 ? 143 THR A OG1 1 143 . A ATOM 1144 C CG2 . THR A 1 143 ? 6.762 21.411 14.299 1.0 6.55 ? 143 THR A CG2 1 143 . A ATOM 1145 N N . HIS A 1 144 ? 7.272 17.717 13.005 1.0 5.03 ? 144 HIS A N 1 144 . A ATOM 1146 C CA . HIS A 1 144 ? 6.513 16.929 12.026 1.0 5.81 ? 144 HIS A CA 1 144 . A ATOM 1147 C C . HIS A 1 144 ? 5.751 15.840 12.782 1.0 5.63 ? 144 HIS A C 1 144 . A ATOM 1148 O O . HIS A 1 144 ? 4.551 15.624 12.528 1.0 5.81 ? 144 HIS A O 1 144 . A ATOM 1149 C CB . HIS A 1 144 ? 7.500 16.324 11.028 1.0 5.83 ? 144 HIS A CB 1 144 . A ATOM 1150 C CG . HIS A 1 144 ? 6.870 15.412 10.015 1.0 5.29 ? 144 HIS A CG 1 144 . A ATOM 1151 N ND1 . HIS A 1 144 ? 6.625 15.811 8.716 1.0 6.07 ? 144 HIS A ND1 1 144 . A ATOM 1152 C CD2 . HIS A 1 144 ? 6.488 14.111 10.090 1.0 5.93 ? 144 HIS A CD2 1 144 . A ATOM 1153 C CE1 . HIS A 1 144 ? 6.102 14.800 8.036 1.0 5.25 ? 144 HIS A CE1 1 144 . A ATOM 1154 N NE2 . HIS A 1 144 ? 6.015 13.745 8.840 1.0 4.96 ? 144 HIS A NE2 1 144 . A ATOM 1155 N N . GLU A 1 145 ? 6.415 15.143 13.721 1.0 4.81 ? 145 GLU A N 1 145 . A ATOM 1156 C CA . GLU A 1 145 ? 5.705 14.100 14.471 1.0 5.9 ? 145 GLU A CA 1 145 . A ATOM 1157 C C . GLU A 1 145 ? 4.626 14.690 15.398 1.0 5.62 ? 145 GLU A C 1 145 . A ATOM 1158 O O . GLU A 1 145 ? 3.520 14.144 15.529 1.0 6.17 ? 145 GLU A O 1 145 . A ATOM 1159 C CB . GLU A 1 145 ? 6.710 13.223 15.237 1.0 6.6 ? 145 GLU A CB 1 145 . A ATOM 1160 C CG . GLU A 1 145 ? 7.811 12.578 14.354 1.0 6.27 ? 145 GLU A CG 1 145 . A ATOM 1161 C CD . GLU A 1 145 ? 7.314 11.823 13.134 1.0 5.16 ? 145 GLU A CD 1 145 . A ATOM 1162 O OE1 . GLU A 1 145 ? 8.121 11.701 12.163 1.0 6.61 ? 145 GLU A OE1 1 145 . A ATOM 1163 O OE2 . GLU A 1 145 ? 6.143 11.382 13.121 1.0 7.52 ? 145 GLU A OE2 1 145 . A ATOM 1164 N N . LEU A 1 146 ? 4.917 15.838 16.008 1.0 5.36 ? 146 LEU A N 1 146 . A ATOM 1165 C CA . LEU A 1 146 ? 3.935 16.519 16.821 1.0 7.41 ? 146 LEU A CA 1 146 . A ATOM 1166 C C . LEU A 1 146 ? 2.720 16.846 15.932 1.0 6.75 ? 146 LEU A C 1 146 . A ATOM 1167 O O . LEU A 1 146 ? 1.559 16.701 16.358 1.0 7.63 ? 146 LEU A O 1 146 . A ATOM 1168 C CB . LEU A 1 146 ? 4.564 17.823 17.387 1.0 6.27 ? 146 LEU A CB 1 146 . A ATOM 1169 C CG . LEU A 1 146 ? 3.639 18.658 18.264 1.0 8.53 ? 146 LEU A CG 1 146 . A ATOM 1170 C CD1 . LEU A 1 146 ? 3.286 17.859 19.516 1.0 10.3 ? 146 LEU A CD1 1 146 . A ATOM 1171 C CD2 . LEU A 1 146 ? 4.392 19.946 18.677 1.0 10.39 ? 146 LEU A CD2 1 146 . A ATOM 1172 N N . GLY A 1 147 ? 2.982 17.280 14.701 1.0 6.28 ? 147 GLY A N 1 147 . A ATOM 1173 C CA . GLY A 1 147 ? 1.911 17.631 13.761 1.0 6.87 ? 147 GLY A CA 1 147 . A ATOM 1174 C C . GLY A 1 147 ? 1.034 16.416 13.489 1.0 6.55 ? 147 GLY A C 1 147 . A ATOM 1175 O O . GLY A 1 147 ? -0.212 16.501 13.499 1.0 7.09 ? 147 GLY A O 1 147 . A ATOM 1176 N N . HIS A 1 148 ? 1.646 15.264 13.240 1.0 6.5 ? 148 HIS A N 1 148 . A ATOM 1177 C CA . HIS A 1 148 ? 0.824 14.053 13.080 1.0 7.63 ? 148 HIS A CA 1 148 . A ATOM 1178 C C . HIS A 1 148 ? -0.008 13.827 14.321 1.0 7.51 ? 148 HIS A C 1 148 . A ATOM 1179 O O . HIS A 1 148 ? -1.193 13.506 14.218 1.0 8.99 ? 148 HIS A O 1 148 . A ATOM 1180 C CB . HIS A 1 148 ? 1.715 12.810 12.881 1.0 6.81 ? 148 HIS A CB 1 148 . A ATOM 1181 C CG . HIS A 1 148 ? 2.241 12.636 11.487 1.0 6.39 ? 148 HIS A CG 1 148 . A ATOM 1182 N ND1 . HIS A 1 148 ? 1.440 12.680 10.363 1.0 7.17 ? 148 HIS A ND1 1 148 . A ATOM 1183 C CD2 . HIS A 1 148 ? 3.477 12.305 11.045 1.0 6.5 ? 148 HIS A CD2 1 148 . A ATOM 1184 C CE1 . HIS A 1 148 ? 2.157 12.369 9.295 1.0 7.12 ? 148 HIS A CE1 1 148 . A ATOM 1185 N NE2 . HIS A 1 148 ? 3.401 12.129 9.679 1.0 7.26 ? 148 HIS A NE2 1 148 . A ATOM 1186 N N . ASN A 1 149 ? 0.557 14.020 15.508 1.0 7.56 ? 149 ASN A N 1 149 . A ATOM 1187 C CA . ASN A 1 149 ? -0.218 13.747 16.730 1.0 8.06 ? 149 ASN A CA 1 149 . A ATOM 1188 C C . ASN A 1 149 ? -1.373 14.741 16.913 1.0 8.19 ? 149 ASN A C 1 149 . A ATOM 1189 O O . ASN A 1 149 ? -2.335 14.459 17.660 1.0 9.36 ? 149 ASN A O 1 149 . A ATOM 1190 C CB . ASN A 1 149 ? 0.741 13.745 17.927 1.0 6.92 ? 149 ASN A CB 1 149 . A ATOM 1191 C CG . ASN A 1 149 ? 0.277 12.880 19.074 1.0 7.18 ? 149 ASN A CG 1 149 . A ATOM 1192 O OD1 . ASN A 1 149 ? 0.216 13.350 20.200 1.0 8.01 ? 149 ASN A OD1 1 149 . A ATOM 1193 N ND2 . ASN A 1 149 ? -0.020 11.584 18.807 1.0 8.6 ? 149 ASN A ND2 1 149 . A ATOM 1194 N N . LEU A 1 150 ? -1.278 15.892 16.242 1.0 7.65 ? 150 LEU A N 1 150 . A ATOM 1195 C CA . LEU A 1 150 ? -2.333 16.920 16.222 1.0 8.37 ? 150 LEU A CA 1 150 . A ATOM 1196 C C . LEU A 1 150 ? -3.285 16.708 15.046 1.0 8.84 ? 150 LEU A C 1 150 . A ATOM 1197 O O . LEU A 1 150 ? -3.979 17.656 14.634 1.0 9.61 ? 150 LEU A O 1 150 . A ATOM 1198 C CB . LEU A 1 150 ? -1.685 18.317 16.115 1.0 7.82 ? 150 LEU A CB 1 150 . A ATOM 1199 C CG . LEU A 1 150 ? -0.979 18.781 17.393 1.0 8.13 ? 150 LEU A CG 1 150 . A ATOM 1200 C CD1 . LEU A 1 150 ? -0.121 20.039 17.097 1.0 9.61 ? 150 LEU A CD1 1 150 . A ATOM 1201 C CD2 . LEU A 1 150 ? -2.021 19.065 18.499 1.0 9.02 ? 150 LEU A CD2 1 150 . A ATOM 1202 N N . GLY A 1 151 ? -3.288 15.498 14.468 1.0 8.87 ? 151 GLY A N 1 151 . A ATOM 1203 C CA . GLY A 1 151 ? -4.193 15.205 13.356 1.0 9.0 ? 151 GLY A CA 1 151 . A ATOM 1204 C C . GLY A 1 151 ? -3.812 15.569 11.944 1.0 8.62 ? 151 GLY A C 1 151 . A ATOM 1205 O O . GLY A 1 151 ? -4.640 15.516 11.027 1.0 9.49 ? 151 GLY A O 1 151 . A ATOM 1206 N N . MET A 1 152 ? -2.557 15.923 11.735 1.0 8.38 ? 152 MET A N 1 152 . A ATOM 1207 C CA . MET A 1 152 ? -2.105 16.301 10.395 1.0 8.03 ? 152 MET A CA 1 152 . A ATOM 1208 C C . MET A 1 152 ? -1.583 15.100 9.603 1.0 8.52 ? 152 MET A C 1 152 . A ATOM 1209 O O . MET A 1 152 ? -0.931 14.224 10.151 1.0 10.19 ? 152 MET A O 1 152 . A ATOM 1210 C CB . MET A 1 152 ? -0.933 17.313 10.496 1.0 7.21 ? 152 MET A CB 1 152 . A ATOM 1211 C CG . MET A 1 152 ? -1.317 18.597 11.219 1.0 7.38 ? 152 MET A CG 1 152 . A ATOM 1212 S SD . MET A 1 152 ? 0.150 19.635 11.327 1.0 7.73 ? 152 MET A SD 1 152 . A ATOM 1213 C CE . MET A 1 152 ? -0.491 21.059 12.175 1.0 10.7 ? 152 MET A CE 1 152 . A ATOM 1214 N N . GLU A 1 153 ? -1.909 15.054 8.311 1.0 9.24 ? 153 GLU A N 1 153 . A ATOM 1215 C CA . GLU A 1 153 ? -1.361 14.054 7.407 1.0 9.09 ? 153 GLU A CA 1 153 . A ATOM 1216 C C . GLU A 1 153 ? -0.324 14.793 6.587 1.0 8.42 ? 153 GLU A C 1 153 . A ATOM 1217 O O . GLU A 1 153 ? -0.115 16.014 6.744 1.0 9.03 ? 153 GLU A O 1 153 . A ATOM 1218 C CB . GLU A 1 153 ? -2.436 13.518 6.456 1.0 10.7 ? 153 GLU A CB 1 153 . A ATOM 1219 C CG . GLU A 1 153 ? -3.601 12.857 7.161 1.0 15.73 ? 153 GLU A CG 1 153 . A ATOM 1220 C CD . GLU A 1 153 ? -3.234 11.606 7.895 1.0 19.65 ? 153 GLU A CD 1 153 . A ATOM 1221 O OE1 . GLU A 1 153 ? -2.229 10.961 7.529 1.0 22.95 ? 153 GLU A OE1 1 153 . A ATOM 1222 O OE2 . GLU A 1 153 ? -3.968 11.234 8.850 1.0 22.3 ? 153 GLU A OE2 1 153 . A ATOM 1223 N N . HIS A 1 154 ? 0.352 14.094 5.685 1.0 7.96 ? 154 HIS A N 1 154 . A ATOM 1224 C CA . HIS A 1 154 ? 1.323 14.772 4.848 1.0 7.62 ? 154 HIS A CA 1 154 . A ATOM 1225 C C . HIS A 1 154 ? 0.682 15.742 3.866 1.0 7.7 ? 154 HIS A C 1 154 . A ATOM 1226 O O . HIS A 1 154 ? -0.470 15.580 3.426 1.0 9.53 ? 154 HIS A O 1 154 . A ATOM 1227 C CB . HIS A 1 154 ? 2.129 13.774 4.021 1.0 7.61 ? 154 HIS A CB 1 154 . A ATOM 1228 C CG . HIS A 1 154 ? 3.003 12.908 4.851 1.0 8.26 ? 154 HIS A CG 1 154 . A ATOM 1229 N ND1 . HIS A 1 154 ? 3.553 11.729 4.391 1.0 9.02 ? 154 HIS A ND1 1 154 . A ATOM 1230 C CD2 . HIS A 1 154 ? 3.468 13.088 6.107 1.0 8.77 ? 154 HIS A CD2 1 154 . A ATOM 1231 C CE1 . HIS A 1 154 ? 4.327 11.228 5.338 1.0 8.7 ? 154 HIS A CE1 1 154 . A ATOM 1232 N NE2 . HIS A 1 154 ? 4.294 12.032 6.392 1.0 8.12 ? 154 HIS A NE2 1 154 . A ATOM 1233 N N . ASP A 1 155 ? 1.446 16.760 3.542 1.0 7.39 ? 155 ASP A N 1 155 . A ATOM 1234 C CA . ASP A 1 155 ? 1.018 17.735 2.538 1.0 7.56 ? 155 ASP A CA 1 155 . A ATOM 1235 C C . ASP A 1 155 ? 0.738 17.005 1.218 1.0 8.07 ? 155 ASP A C 1 155 . A ATOM 1236 O O . ASP A 1 155 ? 1.446 16.050 0.836 1.0 9.16 ? 155 ASP A O 1 155 . A ATOM 1237 C CB . ASP A 1 155 ? 2.131 18.762 2.381 1.0 7.72 ? 155 ASP A CB 1 155 . A ATOM 1238 C CG . ASP A 1 155 ? 2.203 19.717 3.557 1.0 7.58 ? 155 ASP A CG 1 155 . A ATOM 1239 O OD1 . ASP A 1 155 ? 1.213 19.849 4.286 1.0 8.36 ? 155 ASP A OD1 1 155 . A ATOM 1240 O OD2 . ASP A 1 155 ? 3.270 20.332 3.733 1.0 9.1 ? 155 ASP A OD2 1 155 . A ATOM 1241 N N . ASP A 1 156 ? -0.262 17.496 0.488 1.0 7.87 ? 156 ASP A N 1 156 . A ATOM 1242 C CA . ASP A 1 156 ? -0.668 16.907 -0.798 1.0 7.59 ? 156 ASP A CA 1 156 . A ATOM 1243 C C . ASP A 1 156 ? -0.776 18.092 -1.752 1.0 8.21 ? 156 ASP A C 1 156 . A ATOM 1244 O O . ASP A 1 156 ? -1.436 19.080 -1.425 1.0 7.82 ? 156 ASP A O 1 156 . A ATOM 1245 C CB . ASP A 1 156 ? -2.032 16.191 -0.603 1.0 8.06 ? 156 ASP A CB 1 156 . A ATOM 1246 C CG . ASP A 1 156 ? -2.616 15.646 -1.915 1.0 8.92 ? 156 ASP A CG 1 156 . A ATOM 1247 O OD1 . ASP A 1 156 ? -3.184 16.461 -2.644 1.0 9.22 ? 156 ASP A OD1 1 156 . A ATOM 1248 O OD2 . ASP A 1 156 ? -2.520 14.438 -2.187 1.0 8.15 ? 156 ASP A OD2 1 156 . A ATOM 1249 N N . LYS A 1 157 ? -0.126 17.993 -2.906 1.0 8.26 ? 157 LYS A N 1 157 . A ATOM 1250 C CA . LYS A 1 157 ? -0.115 19.082 -3.881 1.0 9.08 ? 157 LYS A CA 1 157 . A ATOM 1251 C C . LYS A 1 157 ? -1.487 19.495 -4.381 1.0 9.15 ? 157 LYS A C 1 157 . A ATOM 1252 O O . LYS A 1 157 ? -1.666 20.670 -4.733 1.0 10.0 ? 157 LYS A O 1 157 . A ATOM 1253 C CB . LYS A 1 157 ? 0.788 18.741 -5.050 1.0 10.29 ? 157 LYS A CB 1 157 . A ATOM 1254 C CG . LYS A 1 157 ? 2.266 18.694 -4.670 1.0 13.62 ? 157 LYS A CG 1 157 . A ATOM 1255 C CD . LYS A 1 157 ? 2.691 20.047 -4.086 1.0 17.96 ? 157 LYS A CD 1 157 . A ATOM 1256 C CE . LYS A 1 157 ? 3.126 20.948 -5.181 1.0 21.97 ? 157 LYS A CE 1 157 . A ATOM 1257 N NZ . LYS A 1 157 ? 4.518 20.572 -5.582 1.0 25.07 ? 157 LYS A NZ 1 157 . A ATOM 1258 N N . ASP A 1 158 ? -2.453 18.587 -4.416 1.0 8.84 ? 158 ASP A N 1 158 . A ATOM 1259 C CA . ASP A 1 158 ? -3.777 19.015 -4.863 1.0 8.81 ? 158 ASP A CA 1 158 . A ATOM 1260 C C . ASP A 1 158 ? -4.429 19.899 -3.837 1.0 9.32 ? 158 ASP A C 1 158 . A ATOM 1261 O O . ASP A 1 158 ? -5.215 20.781 -4.173 1.0 10.8 ? 158 ASP A O 1 158 . A ATOM 1262 C CB . ASP A 1 158 ? -4.666 17.804 -5.145 1.0 9.05 ? 158 ASP A CB 1 158 . A ATOM 1263 C CG . ASP A 1 158 ? -4.157 16.993 -6.308 1.0 10.32 ? 158 ASP A CG 1 158 . A ATOM 1264 O OD1 . ASP A 1 158 ? -4.068 17.594 -7.414 1.0 12.13 ? 158 ASP A OD1 1 158 . A ATOM 1265 O OD2 . ASP A 1 158 ? -3.833 15.780 -6.115 1.0 8.74 ? 158 ASP A OD2 1 158 . A ATOM 1266 N N . LYS A 1 159 ? -4.087 19.701 -2.575 1.0 8.19 ? 159 LYS A N 1 159 . A ATOM 1267 C CA . LYS A 1 159 ? -4.700 20.478 -1.485 1.0 9.3 ? 159 LYS A CA 1 159 . A ATOM 1268 C C . LYS A 1 159 ? -3.975 21.759 -1.136 1.0 9.05 ? 159 LYS A C 1 159 . A ATOM 1269 O O . LYS A 1 159 ? -4.608 22.743 -0.702 1.0 10.1 ? 159 LYS A O 1 159 . A ATOM 1270 C CB . LYS A 1 159 ? -4.876 19.603 -0.238 1.0 9.59 ? 159 LYS A CB 1 159 . A ATOM 1271 C CG . LYS A 1 159 ? -5.860 18.443 -0.428 1.0 11.05 ? 159 LYS A CG 1 159 . A ATOM 1272 C CD . LYS A 1 159 ? -5.859 17.430 0.750 1.0 15.22 ? 159 LYS A CD 1 159 . A ATOM 1273 C CE . LYS A 1 159 ? -7.128 17.533 1.594 1.0 19.96 ? 159 LYS A CE 1 159 . A ATOM 1274 N NZ . LYS A 1 159 ? -7.074 18.683 2.566 1.0 21.48 ? 159 LYS A NZ 1 159 . A ATOM 1275 N N . CYS A 1 160 ? -2.667 21.770 -1.309 1.0 8.3 ? 160 CYS A N 1 160 . A ATOM 1276 C CA . CYS A 1 160 ? -1.895 22.980 -1.002 1.0 9.33 ? 160 CYS A CA 1 160 . A ATOM 1277 C C . CYS A 1 160 ? -0.589 22.922 -1.784 1.0 9.48 ? 160 CYS A C 1 160 . A ATOM 1278 O O . CYS A 1 160 ? -0.111 21.854 -2.129 1.0 8.46 ? 160 CYS A O 1 160 . A ATOM 1279 C CB . CYS A 1 160 ? -1.652 23.128 0.530 1.0 8.75 ? 160 CYS A CB 1 160 . A ATOM 1280 S SG . CYS A 1 160 ? -0.620 21.819 1.272 1.0 12.68 ? 160 CYS A SG 1 160 . A ATOM 1281 N N . LYS A 1 161 ? -0.012 24.081 -2.069 1.0 10.37 ? 161 LYS A N 1 161 . A ATOM 1282 C CA . LYS A 1 161 ? 1.183 24.126 -2.887 1.0 11.1 ? 161 LYS A CA 1 161 . A ATOM 1283 C C . LYS A 1 161 ? 2.561 24.128 -2.265 1.0 11.61 ? 161 LYS A C 1 161 . A ATOM 1284 O O . LYS A 1 161 ? 3.543 23.950 -2.971 1.0 12.66 ? 161 LYS A O 1 161 . A ATOM 1285 C CB . LYS A 1 161 ? 1.047 25.290 -3.889 1.0 12.75 ? 161 LYS A CB 1 161 . A ATOM 1286 C CG . LYS A 1 161 ? -0.235 25.202 -4.729 1.0 13.68 ? 161 LYS A CG 1 161 . A ATOM 1287 C CD . LYS A 1 161 ? -0.449 23.815 -5.387 1.0 13.77 ? 161 LYS A CD 1 161 . A ATOM 1288 C CE . LYS A 1 161 ? -1.710 23.871 -6.325 1.0 13.97 ? 161 LYS A CE 1 161 . A ATOM 1289 N NZ . LYS A 1 161 ? -2.074 22.470 -6.859 1.0 12.58 ? 161 LYS A NZ 1 161 . A ATOM 1290 N N . CYS A 1 162 ? 2.647 24.237 -0.945 1.0 11.25 ? 162 CYS A N 1 162 . A ATOM 1291 C CA . CYS A 1 162 ? 3.956 24.272 -0.312 1.0 12.35 ? 162 CYS A CA 1 162 . A ATOM 1292 C C . CYS A 1 162 ? 4.783 23.036 -0.583 1.0 13.14 ? 162 CYS A C 1 162 . A ATOM 1293 O O . CYS A 1 162 ? 4.294 21.914 -0.426 1.0 13.59 ? 162 CYS A O 1 162 . A ATOM 1294 C CB . CYS A 1 162 ? 3.799 24.452 1.185 1.0 11.65 ? 162 CYS A CB 1 162 . A ATOM 1295 S SG . CYS A 1 162 ? 5.421 24.782 1.920 1.0 11.67 ? 162 CYS A SG 1 162 . A ATOM 1296 N N . ASP A 1 163 ? 6.048 23.233 -0.960 1.0 13.73 ? 163 ASP A N 1 163 . A ATOM 1297 C CA . ASP A 1 163 ? 6.897 22.096 -1.282 1.0 15.89 ? 163 ASP A CA 1 163 . A ATOM 1298 C C . ASP A 1 163 ? 7.826 21.615 -0.195 1.0 14.83 ? 163 ASP A C 1 163 . A ATOM 1299 O O . ASP A 1 163 ? 8.207 20.446 -0.191 1.0 16.37 ? 163 ASP A O 1 163 . A ATOM 1300 C CB . ASP A 1 163 ? 7.741 22.399 -2.523 1.0 19.48 ? 163 ASP A CB 1 163 . A ATOM 1301 C CG . ASP A 1 163 ? 7.263 21.657 -3.740 1.0 23.92 ? 163 ASP A CG 1 163 . A ATOM 1302 O OD1 . ASP A 1 163 ? 7.434 20.409 -3.808 1.0 27.75 ? 163 ASP A OD1 1 163 . A ATOM 1303 O OD2 . ASP A 1 163 ? 6.716 22.322 -4.630 1.0 27.23 ? 163 ASP A OD2 1 163 . A ATOM 1304 N N . THR A 1 164 ? 8.150 22.501 0.735 1.0 13.29 ? 164 THR A N 1 164 . A ATOM 1305 C CA . THR A 1 164 ? 9.102 22.167 1.791 1.0 13.04 ? 164 THR A CA 1 164 . A ATOM 1306 C C . THR A 1 164 ? 8.615 22.470 3.197 1.0 12.48 ? 164 THR A C 1 164 . A ATOM 1307 O O . THR A 1 164 ? 9.415 22.729 4.113 1.0 12.11 ? 164 THR A O 1 164 . A ATOM 1308 C CB . THR A 1 164 ? 10.425 22.939 1.563 1.0 14.34 ? 164 THR A CB 1 164 . A ATOM 1309 O OG1 . THR A 1 164 ? 10.162 24.341 1.618 1.0 17.04 ? 164 THR A OG1 1 164 . A ATOM 1310 C CG2 . THR A 1 164 ? 11.026 22.578 0.202 1.0 15.21 ? 164 THR A CG2 1 164 . A ATOM 1311 N N . CYS A 1 165 ? 7.302 22.464 3.371 1.0 9.72 ? 165 CYS A N 1 165 . A ATOM 1312 C CA . CYS A 1 165 ? 6.716 22.740 4.667 1.0 8.02 ? 165 CYS A CA 1 165 . A ATOM 1313 C C . CYS A 1 165 ? 6.903 21.571 5.627 1.0 7.71 ? 165 CYS A C 1 165 . A ATOM 1314 O O . CYS A 1 165 ? 7.286 20.470 5.242 1.0 8.54 ? 165 CYS A O 1 165 . A ATOM 1315 C CB . CYS A 1 165 ? 5.240 23.128 4.514 1.0 7.5 ? 165 CYS A CB 1 165 . A ATOM 1316 S SG . CYS A 1 165 ? 5.056 24.859 3.911 1.0 9.07 ? 165 CYS A SG 1 165 . A ATOM 1317 N N . ILE A 1 166 ? 6.643 21.833 6.903 1.0 7.7 ? 166 ILE A N 1 166 . A ATOM 1318 C CA . ILE A 1 166 ? 6.872 20.834 7.955 1.0 7.35 ? 166 ILE A CA 1 166 . A ATOM 1319 C C . ILE A 1 166 ? 6.280 19.457 7.690 1.0 7.22 ? 166 ILE A C 1 166 . A ATOM 1320 O O . ILE A 1 166 ? 6.983 18.464 7.892 1.0 7.43 ? 166 ILE A O 1 166 . A ATOM 1321 C CB . ILE A 1 166 ? 6.383 21.394 9.319 1.0 7.17 ? 166 ILE A CB 1 166 . A ATOM 1322 C CG1 . ILE A 1 166 ? 7.260 22.620 9.699 1.0 8.29 ? 166 ILE A CG1 1 166 . A ATOM 1323 C CG2 . ILE A 1 166 ? 6.453 20.321 10.435 1.0 8.33 ? 166 ILE A CG2 1 166 . A ATOM 1324 C CD1 . ILE A 1 166 ? 6.691 23.422 10.854 1.0 8.04 ? 166 ILE A CD1 1 166 . A ATOM 1325 N N . MET A 1 167 ? 5.047 19.390 7.191 1.0 6.61 ? 167 MET A N 1 167 . A ATOM 1326 C CA . MET A 1 167 ? 4.447 18.095 6.906 1.0 6.32 ? 167 MET A CA 1 167 . A ATOM 1327 C C . MET A 1 167 ? 4.682 17.556 5.492 1.0 7.48 ? 167 MET A C 1 167 . A ATOM 1328 O O . MET A 1 167 ? 3.881 16.738 5.019 1.0 8.4 ? 167 MET A O 1 167 . A ATOM 1329 C CB . MET A 1 167 ? 2.940 18.079 7.221 1.0 5.57 ? 167 MET A CB 1 167 . A ATOM 1330 C CG . MET A 1 167 ? 2.572 18.499 8.651 1.0 6.36 ? 167 MET A CG 1 167 . A ATOM 1331 S SD . MET A 1 167 ? 3.469 17.495 9.921 1.0 7.3 ? 167 MET A SD 1 167 . A ATOM 1332 C CE . MET A 1 167 ? 2.849 15.850 9.577 1.0 7.8 ? 167 MET A CE 1 167 . A ATOM 1333 N N . SER A 1 168 ? 5.754 18.027 4.830 1.0 7.37 ? 168 SER A N 1 168 . A ATOM 1334 C CA . SER A 1 168 ? 6.118 17.455 3.536 1.0 8.22 ? 168 SER A CA 1 168 . A ATOM 1335 C C . SER A 1 168 ? 6.304 15.932 3.746 1.0 8.75 ? 168 SER A C 1 168 . A ATOM 1336 O O . SER A 1 168 ? 6.745 15.459 4.809 1.0 8.66 ? 168 SER A O 1 168 . A ATOM 1337 C CB . SER A 1 168 ? 7.398 18.113 3.020 1.0 10.86 ? 168 SER A CB 1 168 . A ATOM 1338 O OG . SER A 1 168 ? 7.853 17.424 1.880 1.0 17.41 ? 168 SER A OG 1 168 . A ATOM 1339 N N . ALA A 1 169 ? 5.984 15.144 2.727 1.0 9.12 ? 169 ALA A N 1 169 . A ATOM 1340 C CA . ALA A 1 169 ? 6.092 13.693 2.850 1.0 9.34 ? 169 ALA A CA 1 169 . A ATOM 1341 C C . ALA A 1 169 ? 7.514 13.234 3.174 1.0 9.75 ? 169 ALA A C 1 169 . A ATOM 1342 O O . ALA A 1 169 ? 7.697 12.206 3.810 1.0 10.94 ? 169 ALA A O 1 169 . A ATOM 1343 C CB . ALA A 1 169 ? 5.599 13.038 1.539 1.0 10.12 ? 169 ALA A CB 1 169 . A ATOM 1344 N N . VAL A 1 170 ? 8.506 13.997 2.733 1.0 10.38 ? 170 VAL A N 1 170 . A ATOM 1345 C CA . VAL A 1 170 ? 9.904 13.675 2.982 1.0 10.4 ? 170 VAL A CA 1 170 . A ATOM 1346 C C . VAL A 1 170 ? 10.643 14.962 3.364 1.0 9.22 ? 170 VAL A C 1 170 . A ATOM 1347 O O . VAL A 1 170 ? 10.383 16.020 2.819 1.0 10.27 ? 170 VAL A O 1 170 . A ATOM 1348 C CB . VAL A 1 170 ? 10.557 13.087 1.722 1.0 11.6 ? 170 VAL A CB 1 170 . A ATOM 1349 C CG1 . VAL A 1 170 ? 11.945 12.550 2.063 1.0 11.77 ? 170 VAL A CG1 1 170 . A ATOM 1350 C CG2 . VAL A 1 170 ? 9.630 12.024 1.114 1.0 14.65 ? 170 VAL A CG2 1 170 . A ATOM 1351 N N . ILE A 1 171 ? 11.535 14.858 4.326 1.0 8.24 ? 171 ILE A N 1 171 . A ATOM 1352 C CA . ILE A 1 171 ? 12.347 15.996 4.768 1.0 8.9 ? 171 ILE A CA 1 171 . A ATOM 1353 C C . ILE A 1 171 ? 13.355 16.315 3.651 1.0 10.51 ? 171 ILE A C 1 171 . A ATOM 1354 O O . ILE A 1 171 ? 13.628 15.470 2.801 1.0 11.69 ? 171 ILE A O 1 171 . A ATOM 1355 C CB . ILE A 1 171 ? 13.099 15.597 6.077 1.0 8.45 ? 171 ILE A CB 1 171 . A ATOM 1356 C CG1 . ILE A 1 171 ? 13.681 16.844 6.766 1.0 9.69 ? 171 ILE A CG1 1 171 . A ATOM 1357 C CG2 . ILE A 1 171 ? 14.265 14.644 5.759 1.0 9.81 ? 171 ILE A CG2 1 171 . A ATOM 1358 C CD1 . ILE A 1 171 ? 14.309 16.517 8.138 1.0 9.62 ? 171 ILE A CD1 1 171 . A ATOM 1359 N N . SER A 1 172 ? 13.872 17.545 3.628 1.0 11.7 ? 172 SER A N 1 172 . A ATOM 1360 C CA . SER A 1 172 ? 14.897 17.869 2.645 1.0 14.89 ? 172 SER A CA 1 172 . A ATOM 1361 C C . SER A 1 172 ? 15.862 18.875 3.232 1.0 16.16 ? 172 SER A C 1 172 . A ATOM 1362 O O . SER A 1 172 ? 15.606 19.472 4.271 1.0 14.61 ? 172 SER A O 1 172 . A ATOM 1363 C CB . SER A 1 172 ? 14.298 18.444 1.372 1.0 15.86 ? 172 SER A CB 1 172 . A ATOM 1364 O OG . SER A 1 172 ? 14.104 19.837 1.500 1.0 16.38 ? 172 SER A OG 1 172 . A ATOM 1365 N N . ASP A 1 173 ? 16.994 19.045 2.553 1.0 18.46 ? 173 ASP A N 1 173 . A ATOM 1366 C CA . ASP A 1 173 ? 18.014 19.983 2.973 1.0 20.87 ? 173 ASP A CA 1 173 . A ATOM 1367 C C . ASP A 1 173 ? 17.475 21.412 3.059 1.0 19.6 ? 173 ASP A C 1 173 . A ATOM 1368 O O . ASP A 1 173 ? 17.963 22.209 3.847 1.0 21.29 ? 173 ASP A O 1 173 . A ATOM 1369 C CB . ASP A 1 173 ? 19.187 19.944 1.974 1.0 24.33 ? 173 ASP A CB 1 173 . A ATOM 1370 C CG . ASP A 1 173 ? 19.924 18.611 1.979 1.0 27.9 ? 173 ASP A CG 1 173 . A ATOM 1371 O OD1 . ASP A 1 173 ? 19.272 17.546 1.886 1.0 29.89 ? 173 ASP A OD1 1 173 . A ATOM 1372 O OD2 . ASP A 1 173 ? 21.172 18.619 2.067 1.0 29.42 ? 173 ASP A OD2 1 173 . A ATOM 1373 N N . LYS A 1 174 ? 16.489 21.724 2.230 1.0 18.26 ? 174 LYS A N 1 174 . A ATOM 1374 C CA . LYS A 1 174 ? 15.868 23.051 2.180 1.0 17.97 ? 174 LYS A CA 1 174 . A ATOM 1375 C C . LYS A 1 174 ? 14.609 23.138 3.043 1.0 15.87 ? 174 LYS A C 1 174 . A ATOM 1376 O O . LYS A 1 174 ? 13.786 24.026 2.865 1.0 17.0 ? 174 LYS A O 1 174 . A ATOM 1377 C CB . LYS A 1 174 ? 15.516 23.384 0.724 1.0 19.6 ? 174 LYS A CB 1 174 . A ATOM 1378 C CG . LYS A 1 174 ? 16.742 23.667 -0.169 1.0 23.46 ? 174 LYS A CG 1 174 . A ATOM 1379 C CD . LYS A 1 174 ? 17.603 24.752 0.471 1.0 26.75 ? 174 LYS A CD 1 174 . A ATOM 1380 C CE . LYS A 1 174 ? 18.611 25.386 -0.487 1.0 28.97 ? 174 LYS A CE 1 174 . A ATOM 1381 N NZ . LYS A 1 174 ? 19.251 26.598 0.140 1.0 30.42 ? 174 LYS A NZ 1 174 . A ATOM 1382 N N . GLN A 1 175 ? 14.482 22.226 3.994 1.0 13.47 ? 175 GLN A N 1 175 . A ATOM 1383 C CA . GLN A 1 175 ? 13.287 22.194 4.852 1.0 12.25 ? 175 GLN A CA 1 175 . A ATOM 1384 C C . GLN A 1 175 ? 12.921 23.550 5.433 1.0 11.98 ? 175 GLN A C 1 175 . A ATOM 1385 O O . GLN A 1 175 ? 13.756 24.260 6.017 1.0 12.34 ? 175 GLN A O 1 175 . A ATOM 1386 C CB . GLN A 1 175 ? 13.509 21.193 5.998 1.0 11.11 ? 175 GLN A CB 1 175 . A ATOM 1387 C CG . GLN A 1 175 ? 12.262 20.861 6.756 1.0 12.43 ? 175 GLN A CG 1 175 . A ATOM 1388 C CD . GLN A 1 175 ? 11.287 20.155 5.877 1.0 12.34 ? 175 GLN A CD 1 175 . A ATOM 1389 O OE1 . GLN A 1 175 ? 11.659 19.308 5.072 1.0 10.89 ? 175 GLN A OE1 1 175 . A ATOM 1390 N NE2 . GLN A 1 175 ? 9.998 20.512 6.020 1.0 16.27 ? 175 GLN A NE2 1 175 . A ATOM 1391 N N . SER A 1 176 ? 11.648 23.899 5.260 1.0 11.31 ? 176 SER A N 1 176 . A ATOM 1392 C CA . SER A 1 176 ? 11.095 25.136 5.750 1.0 11.1 ? 176 SER A CA 1 176 . A ATOM 1393 C C . SER A 1 176 ? 10.608 24.967 7.189 1.0 10.75 ? 176 SER A C 1 176 . A ATOM 1394 O O . SER A 1 176 ? 10.301 23.848 7.597 1.0 11.1 ? 176 SER A O 1 176 . A ATOM 1395 C CB . SER A 1 176 ? 9.893 25.494 4.856 1.0 13.07 ? 176 SER A CB 1 176 . A ATOM 1396 O OG . SER A 1 176 ? 9.125 26.533 5.397 1.0 14.77 ? 176 SER A OG 1 176 . A ATOM 1397 N N . LYS A 1 177 ? 10.528 26.060 7.933 1.0 9.01 ? 177 LYS A N 1 177 . A ATOM 1398 C CA . LYS A 1 177 ? 10.008 26.044 9.293 1.0 9.2 ? 177 LYS A CA 1 177 . A ATOM 1399 C C . LYS A 1 177 ? 8.520 26.339 9.329 1.0 8.08 ? 177 LYS A C 1 177 . A ATOM 1400 O O . LYS A 1 177 ? 7.961 26.507 10.408 1.0 9.15 ? 177 LYS A O 1 177 . A ATOM 1401 C CB . LYS A 1 177 ? 10.710 27.073 10.172 1.0 9.67 ? 177 LYS A CB 1 177 . A ATOM 1402 C CG . LYS A 1 177 ? 10.384 28.537 9.810 1.0 9.82 ? 177 LYS A CG 1 177 . A ATOM 1403 C CD . LYS A 1 177 ? 11.040 29.427 10.847 1.0 12.23 ? 177 LYS A CD 1 177 . A ATOM 1404 C CE . LYS A 1 177 ? 10.861 30.897 10.490 1.0 13.14 ? 177 LYS A CE 1 177 . A ATOM 1405 N NZ . LYS A 1 177 ? 11.317 31.744 11.651 1.0 12.19 ? 177 LYS A NZ 1 177 . A ATOM 1406 N N . LEU A 1 178 ? 7.885 26.404 8.158 1.0 7.56 ? 178 LEU A N 1 178 . A ATOM 1407 C CA . LEU A 1 178 ? 6.450 26.720 8.105 1.0 7.73 ? 178 LEU A CA 1 178 . A ATOM 1408 C C . LEU A 1 178 ? 5.511 25.533 7.899 1.0 7.29 ? 178 LEU A C 1 178 . A ATOM 1409 O O . LEU A 1 178 ? 5.849 24.576 7.234 1.0 7.81 ? 178 LEU A O 1 178 . A ATOM 1410 C CB . LEU A 1 178 ? 6.179 27.676 6.931 1.0 8.0 ? 178 LEU A CB 1 178 . A ATOM 1411 C CG . LEU A 1 178 ? 6.927 29.012 6.953 1.0 9.07 ? 178 LEU A CG 1 178 . A ATOM 1412 C CD1 . LEU A 1 178 ? 6.593 29.796 5.657 1.0 10.01 ? 178 LEU A CD1 1 178 . A ATOM 1413 C CD2 . LEU A 1 178 ? 6.484 29.818 8.196 1.0 9.83 ? 178 LEU A CD2 1 178 . A ATOM 1414 N N . PHE A 1 179 ? 4.324 25.644 8.496 1.0 7.59 ? 179 PHE A N 1 179 . A ATOM 1415 C CA . PHE A 1 179 ? 3.262 24.680 8.243 1.0 7.17 ? 179 PHE A CA 1 179 . A ATOM 1416 C C . PHE A 1 179 ? 2.499 25.183 7.022 1.0 8.22 ? 179 PHE A C 1 179 . A ATOM 1417 O O . PHE A 1 179 ? 2.211 26.403 6.882 1.0 9.11 ? 179 PHE A O 1 179 . A ATOM 1418 C CB . PHE A 1 179 ? 2.298 24.631 9.408 1.0 7.5 ? 179 PHE A CB 1 179 . A ATOM 1419 C CG . PHE A 1 179 ? 2.776 23.831 10.568 1.0 7.25 ? 179 PHE A CG 1 179 . A ATOM 1420 C CD1 . PHE A 1 179 ? 2.806 22.436 10.520 1.0 7.32 ? 179 PHE A CD1 1 179 . A ATOM 1421 C CD2 . PHE A 1 179 ? 3.160 24.489 11.737 1.0 7.64 ? 179 PHE A CD2 1 179 . A ATOM 1422 C CE1 . PHE A 1 179 ? 3.203 21.698 11.621 1.0 8.41 ? 179 PHE A CE1 1 179 . A ATOM 1423 C CE2 . PHE A 1 179 ? 3.572 23.763 12.854 1.0 8.19 ? 179 PHE A CE2 1 179 . A ATOM 1424 C CZ . PHE A 1 179 ? 3.593 22.347 12.794 1.0 8.21 ? 179 PHE A CZ 1 179 . A ATOM 1425 N N . SER A 1 180 ? 2.176 24.248 6.132 1.0 8.06 ? 180 SER A N 1 180 . A ATOM 1426 C CA . SER A 1 180 ? 1.394 24.533 4.923 1.0 7.48 ? 180 SER A CA 1 180 . A ATOM 1427 C C . SER A 1 180 ? -0.077 24.808 5.250 1.0 7.77 ? 180 SER A C 1 180 . A ATOM 1428 O O . SER A 1 180 ? -0.545 24.617 6.383 1.0 7.84 ? 180 SER A O 1 180 . A ATOM 1429 C CB . SER A 1 180 ? 1.380 23.318 4.022 1.0 6.82 ? 180 SER A CB 1 180 . A ATOM 1430 O OG . SER A 1 180 ? 0.545 22.328 4.652 1.0 6.55 ? 180 SER A OG 1 180 . A ATOM 1431 N N . ASP A 1 181 ? -0.826 25.214 4.221 1.0 7.8 ? 181 ASP A N 1 181 . A ATOM 1432 C CA . ASP A 1 181 ? -2.262 25.409 4.427 1.0 9.35 ? 181 ASP A CA 1 181 . A ATOM 1433 C C . ASP A 1 181 ? -2.949 24.050 4.641 1.0 8.6 ? 181 ASP A C 1 181 . A ATOM 1434 O O . ASP A 1 181 ? -3.983 23.983 5.300 1.0 9.23 ? 181 ASP A O 1 181 . A ATOM 1435 C CB . ASP A 1 181 ? -2.919 26.113 3.234 1.0 10.98 ? 181 ASP A CB 1 181 . A ATOM 1436 C CG . ASP A 1 181 ? -4.422 26.318 3.444 1.0 14.98 ? 181 ASP A CG 1 181 . A ATOM 1437 O OD1 . ASP A 1 181 ? -4.779 27.054 4.376 1.0 17.61 ? 181 ASP A OD1 1 181 . A ATOM 1438 O OD2 . ASP A 1 181 ? -5.250 25.743 2.699 1.0 16.6 ? 181 ASP A OD2 1 181 . A ATOM 1439 N N . CYS A 1 182 ? -2.381 22.976 4.062 1.0 8.78 ? 182 CYS A N 1 182 . A ATOM 1440 C CA . CYS A 1 182 ? -2.921 21.624 4.288 1.0 8.39 ? 182 CYS A CA 1 182 . A ATOM 1441 C C . CYS A 1 182 ? -2.879 21.356 5.789 1.0 7.73 ? 182 CYS A C 1 182 . A ATOM 1442 O O . CYS A 1 182 ? -3.839 20.885 6.400 1.0 8.75 ? 182 CYS A O 1 182 . A ATOM 1443 C CB . CYS A 1 182 ? -2.030 20.563 3.652 1.0 10.36 ? 182 CYS A CB 1 182 . A ATOM 1444 S SG . CYS A 1 182 ? -1.998 20.357 1.832 1.0 14.68 ? 182 CYS A SG 1 182 . A ATOM 1445 N N . SER A 1 183 ? -1.736 21.668 6.392 1.0 6.65 ? 183 SER A N 1 183 . A ATOM 1446 C CA . SER A 1 183 ? -1.525 21.413 7.816 1.0 7.32 ? 183 SER A CA 1 183 . A ATOM 1447 C C . SER A 1 183 ? -2.414 22.246 8.708 1.0 7.27 ? 183 SER A C 1 183 . A ATOM 1448 O O . SER A 1 183 ? -2.970 21.748 9.662 1.0 8.09 ? 183 SER A O 1 183 . A ATOM 1449 C CB . SER A 1 183 ? -0.080 21.695 8.186 1.0 6.47 ? 183 SER A CB 1 183 . A ATOM 1450 O OG . SER A 1 183 ? 0.757 20.781 7.522 1.0 8.62 ? 183 SER A OG 1 183 . A ATOM 1451 N N . LYS A 1 184 ? -2.532 23.523 8.386 1.0 7.45 ? 184 LYS A N 1 184 . A ATOM 1452 C CA . LYS A 1 184 ? -3.403 24.375 9.171 1.0 7.87 ? 184 LYS A CA 1 184 . A ATOM 1453 C C . LYS A 1 184 ? -4.877 23.894 9.058 1.0 7.81 ? 184 LYS A C 1 184 . A ATOM 1454 O O . LYS A 1 184 ? -5.613 23.880 10.052 1.0 8.49 ? 184 LYS A O 1 184 . A ATOM 1455 C CB . LYS A 1 184 ? -3.225 25.830 8.720 1.0 8.44 ? 184 LYS A CB 1 184 . A ATOM 1456 C CG . LYS A 1 184 ? -1.804 26.363 9.026 1.0 9.45 ? 184 LYS A CG 1 184 . A ATOM 1457 C CD . LYS A 1 184 ? -1.630 27.783 8.530 1.0 11.32 ? 184 LYS A CD 1 184 . A ATOM 1458 C CE . LYS A 1 184 ? -0.199 28.208 8.712 1.0 13.06 ? 184 LYS A CE 1 184 . A ATOM 1459 N NZ . LYS A 1 184 ? -0.045 29.616 8.255 1.0 15.41 ? 184 LYS A NZ 1 184 . A ATOM 1460 N N . ASP A 1 185 ? -5.271 23.465 7.861 1.0 8.13 ? 185 ASP A N 1 185 . A ATOM 1461 C CA . ASP A 1 185 ? -6.641 22.974 7.676 1.0 9.17 ? 185 ASP A CA 1 185 . A ATOM 1462 C C . ASP A 1 185 ? -6.840 21.681 8.502 1.0 9.13 ? 185 ASP A C 1 185 . A ATOM 1463 O O . ASP A 1 185 ? -7.883 21.484 9.117 1.0 9.9 ? 185 ASP A O 1 185 . A ATOM 1464 C CB . ASP A 1 185 ? -6.909 22.738 6.180 1.0 9.97 ? 185 ASP A CB 1 185 . A ATOM 1465 C CG . ASP A 1 185 ? -7.088 24.047 5.375 1.0 11.69 ? 185 ASP A CG 1 185 . A ATOM 1466 O OD1 . ASP A 1 185 ? -6.988 25.149 5.920 1.0 13.98 ? 185 ASP A OD1 1 185 . A ATOM 1467 O OD2 . ASP A 1 185 ? -7.331 23.952 4.162 1.0 12.27 ? 185 ASP A OD2 1 185 . A ATOM 1468 N N . TYR A 1 186 ? -5.857 20.783 8.526 1.0 8.15 ? 186 TYR A N 1 186 . A ATOM 1469 C CA . TYR A 1 186 ? -5.989 19.588 9.365 1.0 9.05 ? 186 TYR A CA 1 186 . A ATOM 1470 C C . TYR A 1 186 ? -6.085 19.962 10.846 1.0 9.09 ? 186 TYR A C 1 186 . A ATOM 1471 O O . TYR A 1 186 ? -6.802 19.319 11.587 1.0 9.59 ? 186 TYR A O 1 186 . A ATOM 1472 C CB . TYR A 1 186 ? -4.771 18.681 9.211 1.0 8.89 ? 186 TYR A CB 1 186 . A ATOM 1473 C CG . TYR A 1 186 ? -4.762 17.813 7.978 1.0 8.48 ? 186 TYR A CG 1 186 . A ATOM 1474 C CD1 . TYR A 1 186 ? -3.692 17.851 7.116 1.0 8.05 ? 186 TYR A CD1 1 186 . A ATOM 1475 C CD2 . TYR A 1 186 ? -5.825 16.946 7.701 1.0 9.42 ? 186 TYR A CD2 1 186 . A ATOM 1476 C CE1 . TYR A 1 186 ? -3.657 17.034 5.954 1.0 8.99 ? 186 TYR A CE1 1 186 . A ATOM 1477 C CE2 . TYR A 1 186 ? -5.806 16.131 6.543 1.0 10.2 ? 186 TYR A CE2 1 186 . A ATOM 1478 C CZ . TYR A 1 186 ? -4.719 16.192 5.694 1.0 10.22 ? 186 TYR A CZ 1 186 . A ATOM 1479 O OH . TYR A 1 186 ? -4.677 15.365 4.586 1.0 12.89 ? 186 TYR A OH 1 186 . A ATOM 1480 N N . TYR A 1 187 ? -5.319 20.965 11.269 1.0 8.86 ? 187 TYR A N 1 187 . A ATOM 1481 C CA . TYR A 1 187 ? -5.355 21.371 12.676 1.0 8.85 ? 187 TYR A CA 1 187 . A ATOM 1482 C C . TYR A 1 187 ? -6.752 21.954 13.000 1.0 9.91 ? 187 TYR A C 1 187 . A ATOM 1483 O O . TYR A 1 187 ? -7.287 21.690 14.067 1.0 10.14 ? 187 TYR A O 1 187 . A ATOM 1484 C CB . TYR A 1 187 ? -4.217 22.368 12.956 1.0 9.16 ? 187 TYR A CB 1 187 . A ATOM 1485 C CG . TYR A 1 187 ? -4.153 22.814 14.403 1.0 9.31 ? 187 TYR A CG 1 187 . A ATOM 1486 C CD1 . TYR A 1 187 ? -4.088 21.880 15.430 1.0 9.18 ? 187 TYR A CD1 1 187 . A ATOM 1487 C CD2 . TYR A 1 187 ? -4.147 24.159 14.730 1.0 9.55 ? 187 TYR A CD2 1 187 . A ATOM 1488 C CE1 . TYR A 1 187 ? -4.014 22.282 16.776 1.0 8.46 ? 187 TYR A CE1 1 187 . A ATOM 1489 C CE2 . TYR A 1 187 ? -4.076 24.574 16.053 1.0 9.0 ? 187 TYR A CE2 1 187 . A ATOM 1490 C CZ . TYR A 1 187 ? -4.010 23.634 17.070 1.0 9.57 ? 187 TYR A CZ 1 187 . A ATOM 1491 O OH . TYR A 1 187 ? -3.960 24.015 18.400 1.0 9.9 ? 187 TYR A OH 1 187 . A ATOM 1492 N N . GLN A 1 188 ? -7.315 22.736 12.092 1.0 10.2 ? 188 GLN A N 1 188 . A ATOM 1493 C CA . GLN A 1 188 ? -8.663 23.277 12.312 1.0 11.7 ? 188 GLN A CA 1 188 . A ATOM 1494 C C . GLN A 1 188 ? -9.639 22.113 12.478 1.0 11.88 ? 188 GLN A C 1 188 . A ATOM 1495 O O . GLN A 1 188 ? -10.462 22.113 13.388 1.0 11.15 ? 188 GLN A O 1 188 . A ATOM 1496 C CB . GLN A 1 188 ? -9.104 24.158 11.147 1.0 13.09 ? 188 GLN A CB 1 188 . A ATOM 1497 C CG . GLN A 1 188 ? -10.510 24.713 11.360 1.0 17.12 ? 188 GLN A CG 1 188 . A ATOM 1498 C CD . GLN A 1 188 ? -10.616 25.509 12.646 1.0 18.37 ? 188 GLN A CD 1 188 . A ATOM 1499 O OE1 . GLN A 1 188 ? -11.323 25.125 13.596 1.0 23.03 ? 188 GLN A OE1 1 188 . A ATOM 1500 N NE2 . GLN A 1 188 ? -9.902 26.599 12.705 1.0 17.83 ? 188 GLN A NE2 1 188 . A ATOM 1501 N N . THR A 1 189 ? -9.534 21.107 11.615 1.0 11.94 ? 189 THR A N 1 189 . A ATOM 1502 C CA . THR A 1 189 ? -10.393 19.938 11.723 1.0 12.05 ? 189 THR A CA 1 189 . A ATOM 1503 C C . THR A 1 189 ? -10.209 19.243 13.074 1.0 12.71 ? 189 THR A C 1 189 . A ATOM 1504 O O . THR A 1 189 ? -11.178 18.804 13.680 1.0 13.89 ? 189 THR A O 1 189 . A ATOM 1505 C CB . THR A 1 189 ? -10.099 18.967 10.557 1.0 12.29 ? 189 THR A CB 1 189 . A ATOM 1506 O OG1 . THR A 1 189 ? -10.466 19.608 9.331 1.0 14.24 ? 189 THR A OG1 1 189 . A ATOM 1507 C CG2 . THR A 1 189 ? -10.907 17.666 10.686 1.0 14.28 ? 189 THR A CG2 1 189 . A ATOM 1508 N N . PHE A 1 190 ? -8.964 19.125 13.538 1.0 11.64 ? 190 PHE A N 1 190 . A ATOM 1509 C CA . PHE A 1 190 ? -8.683 18.519 14.823 1.0 12.11 ? 190 PHE A CA 1 190 . A ATOM 1510 C C . PHE A 1 190 ? -9.309 19.321 15.972 1.0 12.3 ? 190 PHE A C 1 190 . A ATOM 1511 O O . PHE A 1 190 ? -9.887 18.740 16.881 1.0 12.46 ? 190 PHE A O 1 190 . A ATOM 1512 C CB . PHE A 1 190 ? -7.167 18.416 14.991 1.0 11.14 ? 190 PHE A CB 1 190 . A ATOM 1513 C CG . PHE A 1 190 ? -6.736 17.715 16.245 1.0 11.98 ? 190 PHE A CG 1 190 . A ATOM 1514 C CD1 . PHE A 1 190 ? -6.886 16.344 16.376 1.0 12.39 ? 190 PHE A CD1 1 190 . A ATOM 1515 C CD2 . PHE A 1 190 ? -6.175 18.443 17.286 1.0 13.13 ? 190 PHE A CD2 1 190 . A ATOM 1516 C CE1 . PHE A 1 190 ? -6.487 15.685 17.536 1.0 13.98 ? 190 PHE A CE1 1 190 . A ATOM 1517 C CE2 . PHE A 1 190 ? -5.763 17.791 18.461 1.0 14.14 ? 190 PHE A CE2 1 190 . A ATOM 1518 C CZ . PHE A 1 190 ? -5.927 16.412 18.571 1.0 14.29 ? 190 PHE A CZ 1 190 . A ATOM 1519 N N . LEU A 1 191 ? -9.174 20.643 15.957 1.0 12.35 ? 191 LEU A N 1 191 . A ATOM 1520 C CA . LEU A 1 191 ? -9.764 21.467 17.016 1.0 14.23 ? 191 LEU A CA 1 191 . A ATOM 1521 C C . LEU A 1 191 ? -11.285 21.402 16.997 1.0 15.53 ? 191 LEU A C 1 191 . A ATOM 1522 O O . LEU A 1 191 ? -11.915 21.444 18.054 1.0 16.37 ? 191 LEU A O 1 191 . A ATOM 1523 C CB . LEU A 1 191 ? -9.317 22.920 16.890 1.0 13.81 ? 191 LEU A CB 1 191 . A ATOM 1524 C CG . LEU A 1 191 ? -7.847 23.197 17.218 1.0 13.72 ? 191 LEU A CG 1 191 . A ATOM 1525 C CD1 . LEU A 1 191 ? -7.620 24.689 17.112 1.0 14.76 ? 191 LEU A CD1 1 191 . A ATOM 1526 C CD2 . LEU A 1 191 ? -7.497 22.700 18.606 1.0 15.19 ? 191 LEU A CD2 1 191 . A ATOM 1527 N N . THR A 1 192 ? -11.871 21.264 15.817 1.0 16.18 ? 192 THR A N 1 192 . A ATOM 1528 C CA . THR A 1 192 ? -13.322 21.196 15.713 1.0 18.24 ? 192 THR A CA 1 192 . A ATOM 1529 C C . THR A 1 192 ? -13.875 19.832 16.111 1.0 18.77 ? 192 THR A C 1 192 . A ATOM 1530 O O . THR A 1 192 ? -14.860 19.755 16.856 1.0 20.4 ? 192 THR A O 1 192 . A ATOM 1531 C CB . THR A 1 192 ? -13.782 21.481 14.279 1.0 18.2 ? 192 THR A CB 1 192 . A ATOM 1532 O OG1 . THR A 1 192 ? -13.380 22.803 13.900 1.0 19.28 ? 192 THR A OG1 1 192 . A ATOM 1533 C CG2 . THR A 1 192 ? -15.313 21.348 14.169 1.0 19.07 ? 192 THR A CG2 1 192 . A ATOM 1534 N N . ASN A 1 193 ? -13.241 18.762 15.647 1.0 19.05 ? 193 ASN A N 1 193 . A ATOM 1535 C CA . ASN A 1 193 ? -13.757 17.418 15.928 1.0 19.64 ? 193 ASN A CA 1 193 . A ATOM 1536 C C . ASN A 1 193 ? -13.244 16.674 17.159 1.0 19.88 ? 193 ASN A C 1 193 . A ATOM 1537 O O . ASN A 1 193 ? -13.968 15.858 17.728 1.0 20.76 ? 193 ASN A O 1 193 . A ATOM 1538 C CB . ASN A 1 193 ? -13.561 16.514 14.717 1.0 20.7 ? 193 ASN A CB 1 193 . A ATOM 1539 C CG . ASN A 1 193 ? -14.252 17.039 13.468 1.0 21.32 ? 193 ASN A CG 1 193 . A ATOM 1540 O OD1 . ASN A 1 193 ? -15.190 17.841 13.544 1.0 22.95 ? 193 ASN A OD1 1 193 . A ATOM 1541 N ND2 . ASN A 1 193 ? -13.800 16.582 12.322 1.0 22.14 ? 193 ASN A ND2 1 193 . A ATOM 1542 N N . ASP A 1 194 ? -11.999 16.921 17.557 1.0 19.13 ? 194 ASP A N 1 194 . A ATOM 1543 C CA . ASP A 1 194 ? -11.416 16.232 18.703 1.0 20.0 ? 194 ASP A CA 1 194 . A ATOM 1544 C C . ASP A 1 194 ? -11.316 17.192 19.885 1.0 19.35 ? 194 ASP A C 1 194 . A ATOM 1545 O O . ASP A 1 194 ? -11.785 16.879 20.966 1.0 19.16 ? 194 ASP A O 1 194 . A ATOM 1546 C CB . ASP A 1 194 ? -10.034 15.666 18.319 1.0 21.31 ? 194 ASP A CB 1 194 . A ATOM 1547 C CG . ASP A 1 194 ? -9.480 14.664 19.345 1.0 23.5 ? 194 ASP A CG 1 194 . A ATOM 1548 O OD1 . ASP A 1 194 ? -9.044 13.558 18.936 1.0 24.57 ? 194 ASP A OD1 1 194 . A ATOM 1549 O OD2 . ASP A 1 194 ? -9.451 14.975 20.556 1.0 24.2 ? 194 ASP A OD2 1 194 . A ATOM 1550 N N . ASN A 1 195 ? -10.697 18.352 19.676 1.0 19.47 ? 195 ASN A N 1 195 . A ATOM 1551 C CA . ASN A 1 195 ? -10.552 19.381 20.702 1.0 18.93 ? 195 ASN A CA 1 195 . A ATOM 1552 C C . ASN A 1 195 ? -10.187 18.815 22.072 1.0 18.64 ? 195 ASN A C 1 195 . A ATOM 1553 O O . ASN A 1 195 ? -10.901 19.004 23.056 1.0 18.58 ? 195 ASN A O 1 195 . A ATOM 1554 C CB . ASN A 1 195 ? -11.851 20.183 20.779 1.0 20.39 ? 195 ASN A CB 1 195 . A ATOM 1555 C CG . ASN A 1 195 ? -11.696 21.472 21.535 1.0 21.69 ? 195 ASN A CG 1 195 . A ATOM 1556 O OD1 . ASN A 1 195 ? -10.639 22.093 21.508 1.0 22.1 ? 195 ASN A OD1 1 195 . A ATOM 1557 N ND2 . ASN A 1 195 ? -12.764 21.906 22.190 1.0 23.06 ? 195 ASN A ND2 1 195 . A ATOM 1558 N N . PRO A 1 196 ? -9.045 18.134 22.162 1.0 17.9 ? 196 PRO A N 1 196 . A ATOM 1559 C CA . PRO A 1 196 ? -8.616 17.545 23.437 1.0 17.26 ? 196 PRO A CA 1 196 . A ATOM 1560 C C . PRO A 1 196 ? -8.465 18.569 24.555 1.0 17.36 ? 196 PRO A C 1 196 . A ATOM 1561 O O . PRO A 1 196 ? -7.940 19.659 24.360 1.0 15.76 ? 196 PRO A O 1 196 . A ATOM 1562 C CB . PRO A 1 196 ? -7.297 16.859 23.074 1.0 18.25 ? 196 PRO A CB 1 196 . A ATOM 1563 C CG . PRO A 1 196 ? -6.788 17.683 21.972 1.0 17.5 ? 196 PRO A CG 1 196 . A ATOM 1564 C CD . PRO A 1 196 ? -8.009 17.973 21.133 1.0 18.24 ? 196 PRO A CD 1 196 . A ATOM 1565 N N . GLN A 1 197 ? -8.925 18.213 25.743 1.0 17.3 ? 197 GLN A N 1 197 . A ATOM 1566 C CA . GLN A 1 197 ? -8.880 19.146 26.846 1.0 18.13 ? 197 GLN A CA 1 197 . A ATOM 1567 C C . GLN A 1 197 ? -7.524 19.512 27.426 1.0 17.06 ? 197 GLN A C 1 197 . A ATOM 1568 O O . GLN A 1 197 ? -7.351 20.631 27.924 1.0 17.2 ? 197 GLN A O 1 197 . A ATOM 1569 C CB . GLN A 1 197 ? -9.776 18.634 27.982 1.0 21.34 ? 197 GLN A CB 1 197 . A ATOM 1570 C CG . GLN A 1 197 ? -9.736 19.451 29.270 1.0 26.13 ? 197 GLN A CG 1 197 . A ATOM 1571 C CD . GLN A 1 197 ? -10.460 20.769 29.147 1.0 28.22 ? 197 GLN A CD 1 197 . A ATOM 1572 O OE1 . GLN A 1 197 ? -11.558 20.842 28.569 1.0 30.5 ? 197 GLN A OE1 1 197 . A ATOM 1573 N NE2 . GLN A 1 197 ? -9.863 21.822 29.700 1.0 29.74 ? 197 GLN A NE2 1 197 . A ATOM 1574 N N . CYS A 1 198 ? -6.542 18.620 27.350 1.0 15.89 ? 198 CYS A N 1 198 . A ATOM 1575 C CA . CYS A 1 198 ? -5.268 18.931 27.990 1.0 15.37 ? 198 CYS A CA 1 198 . A ATOM 1576 C C . CYS A 1 198 ? -4.510 20.107 27.425 1.0 15.44 ? 198 CYS A C 1 198 . A ATOM 1577 O O . CYS A 1 198 ? -3.747 20.753 28.150 1.0 15.93 ? 198 CYS A O 1 198 . A ATOM 1578 C CB . CYS A 1 198 ? -4.363 17.685 28.039 1.0 15.5 ? 198 CYS A CB 1 198 . A ATOM 1579 S SG . CYS A 1 198 ? -3.239 17.321 26.645 1.0 16.32 ? 198 CYS A SG 1 198 . A ATOM 1580 N N . ILE A 1 199 ? -4.715 20.388 26.146 1.0 14.26 ? 199 ILE A N 1 199 . A ATOM 1581 C CA . ILE A 1 199 ? -4.002 21.505 25.547 1.0 14.1 ? 199 ILE A CA 1 199 . A ATOM 1582 C C . ILE A 1 199 ? -4.769 22.812 25.668 1.0 14.85 ? 199 ILE A C 1 199 . A ATOM 1583 O O . ILE A 1 199 ? -4.334 23.839 25.176 1.0 12.77 ? 199 ILE A O 1 199 . A ATOM 1584 C CB . ILE A 1 199 ? -3.645 21.221 24.076 1.0 14.11 ? 199 ILE A CB 1 199 . A ATOM 1585 C CG1 . ILE A 1 199 ? -4.908 20.991 23.256 1.0 14.55 ? 199 ILE A CG1 1 199 . A ATOM 1586 C CG2 . ILE A 1 199 ? -2.704 19.978 24.003 1.0 14.74 ? 199 ILE A CG2 1 199 . A ATOM 1587 C CD1 . ILE A 1 199 ? -4.670 20.936 21.747 1.0 15.57 ? 199 ILE A CD1 1 199 . A ATOM 1588 N N . LEU A 1 200 ? -5.893 22.778 26.364 1.0 17.13 ? 200 LEU A N 1 200 . A ATOM 1589 C CA . LEU A 1 200 ? -6.651 24.005 26.578 1.0 20.31 ? 200 LEU A CA 1 200 . A ATOM 1590 C C . LEU A 1 200 ? -6.117 24.617 27.858 1.0 22.22 ? 200 LEU A C 1 200 . A ATOM 1591 O O . LEU A 1 200 ? -6.262 25.811 28.089 1.0 23.49 ? 200 LEU A O 1 200 . A ATOM 1592 C CB . LEU A 1 200 ? -8.149 23.693 26.732 1.0 21.75 ? 200 LEU A CB 1 200 . A ATOM 1593 C CG . LEU A 1 200 ? -8.929 23.839 25.421 1.0 23.43 ? 200 LEU A CG 1 200 . A ATOM 1594 C CD1 . LEU A 1 200 ? -9.929 22.700 25.186 1.0 26.0 ? 200 LEU A CD1 1 200 . A ATOM 1595 C CD2 . LEU A 1 200 ? -9.635 25.176 25.469 1.0 25.41 ? 200 LEU A CD2 1 200 . A ATOM 1596 N N . ASN A 1 201 ? -5.458 23.779 28.654 1.0 23.59 ? 201 ASN A N 1 201 . A ATOM 1597 C CA . ASN A 1 201 ? -4.905 24.165 29.950 1.0 24.95 ? 201 ASN A CA 1 201 . A ATOM 1598 C C . ASN A 1 201 ? -3.506 24.780 29.948 1.0 24.73 ? 201 ASN A C 1 201 . A ATOM 1599 O O . ASN A 1 201 ? -2.533 24.123 29.614 1.0 24.13 ? 201 ASN A O 1 201 . A ATOM 1600 C CB . ASN A 1 201 ? -4.898 22.951 30.875 1.0 26.61 ? 201 ASN A CB 1 201 . A ATOM 1601 C CG . ASN A 1 201 ? -6.277 22.321 31.029 1.0 28.47 ? 201 ASN A CG 1 201 . A ATOM 1602 O OD1 . ASN A 1 201 ? -7.294 23.025 31.109 1.0 29.66 ? 201 ASN A OD1 1 201 . A ATOM 1603 N ND2 . ASN A 1 201 ? -6.315 20.996 31.088 1.0 28.89 ? 201 ASN A ND2 1 201 . A ATOM 1604 N N . ALA A 1 202 ? -3.415 26.046 30.326 1.0 24.33 ? 202 ALA A N 1 202 . A ATOM 1605 C CA . ALA A 1 202 ? -2.118 26.706 30.410 1.0 24.45 ? 202 ALA A CA 1 202 . A ATOM 1606 C C . ALA A 1 202 ? -1.375 26.137 31.626 1.0 23.88 ? 202 ALA A C 1 202 . A ATOM 1607 O O . ALA A 1 202 ? -1.996 25.657 32.583 1.0 23.81 ? 202 ALA A O 1 202 . A ATOM 1608 C CB . ALA A 1 202 ? -2.321 28.186 30.561 1.0 24.7 ? 202 ALA A CB 1 202 . A ATOM 1609 N N . PRO A 1 203 ? -0.036 26.158 31.603 1.0 23.07 ? 203 PRO A N 1 203 . A ATOM 1610 C CA . PRO A 1 203 ? 0.724 25.629 32.744 1.0 22.73 ? 203 PRO A CA 1 203 . A ATOM 1611 C C . PRO A 1 203 ? 0.447 26.424 34.023 1.0 22.6 ? 203 PRO A C 1 203 . A ATOM 1612 O O . PRO A 1 203 ? 0.246 27.658 33.914 1.0 22.09 ? 203 PRO A O 1 203 . A ATOM 1613 C CB . PRO A 1 203 ? 2.171 25.765 32.290 1.0 23.06 ? 203 PRO A CB 1 203 . A ATOM 1614 C CG . PRO A 1 203 ? 2.062 25.656 30.752 1.0 22.5 ? 203 PRO A CG 1 203 . A ATOM 1615 C CD . PRO A 1 203 ? 0.855 26.514 30.481 1.0 22.66 ? 203 PRO A CD 1 203 . A ATOM 1616 O OXT . PRO A 1 203 ? 0.456 25.800 35.097 1.0 20.94 ? 203 PRO A OXT 1 203 . A HETATM 1617 N N . PCA B 2 1 ? 14.466 8.947 3.574 1.0 16.79 ? 251 PCA B N 1 1 . B HETATM 1618 C CA . PCA B 2 1 ? 14.234 9.157 5.014 1.0 14.54 ? 251 PCA B CA 1 1 . B HETATM 1619 C CB . PCA B 2 1 ? 14.762 10.540 5.375 1.0 15.77 ? 251 PCA B CB 1 1 . B HETATM 1620 C CG . PCA B 2 1 ? 14.968 11.206 4.072 1.0 16.14 ? 251 PCA B CG 1 1 . B HETATM 1621 C CD . PCA B 2 1 ? 14.805 10.124 3.049 1.0 17.21 ? 251 PCA B CD 1 1 . B HETATM 1622 O OE . PCA B 2 1 ? 14.981 10.306 1.832 1.0 19.27 ? 251 PCA B OE 1 1 . B HETATM 1623 C C . PCA B 2 1 ? 12.731 9.111 5.197 1.0 14.13 ? 251 PCA B C 1 1 . B HETATM 1624 O O . PCA B 2 1 ? 12.011 9.810 4.496 1.0 13.74 ? 251 PCA B O 1 1 . B ATOM 1625 N N . LYS B 2 2 ? 12.250 8.304 6.138 1.0 11.96 ? 252 LYS B N 1 2 . B ATOM 1626 C CA . LYS B 2 2 ? 10.827 8.210 6.391 1.0 11.55 ? 252 LYS B CA 1 2 . B ATOM 1627 C C . LYS B 2 2 ? 10.510 8.911 7.695 1.0 10.93 ? 252 LYS B C 1 2 . B ATOM 1628 O O . LYS B 2 2 ? 11.190 8.732 8.700 1.0 9.61 ? 252 LYS B O 1 2 . B ATOM 1629 C CB . LYS B 2 2 ? 10.346 6.739 6.471 1.0 12.53 ? 252 LYS B CB 1 2 . B ATOM 1630 C CG . LYS B 2 2 ? 10.451 5.929 5.168 1.0 15.88 ? 252 LYS B CG 1 2 . B ATOM 1631 C CD . LYS B 2 2 ? 9.791 4.547 5.353 1.0 18.57 ? 252 LYS B CD 1 2 . B ATOM 1632 C CE . LYS B 2 2 ? 10.004 3.689 4.093 1.0 20.9 ? 252 LYS B CE 1 2 . B ATOM 1633 N NZ . LYS B 2 2 ? 11.462 3.657 3.752 1.0 22.0 ? 252 LYS B NZ 1 2 . B ATOM 1634 N N . TRP B 2 3 ? 9.474 9.737 7.678 1.0 8.65 ? 253 TRP B N 1 3 . B ATOM 1635 C CA . TRP B 2 3 ? 9.023 10.440 8.900 1.0 8.22 ? 253 TRP B CA 1 3 . B ATOM 1636 C C . TRP B 2 3 ? 7.494 10.666 8.911 1.0 8.4 ? 253 TRP B C 1 3 . B ATOM 1637 O O . TRP B 2 3 ? 6.919 11.010 9.943 1.0 8.0 ? 253 TRP B O 1 3 . B ATOM 1638 C CB . TRP B 2 3 ? 9.759 11.787 9.059 1.0 7.17 ? 253 TRP B CB 1 3 . B ATOM 1639 C CG . TRP B 2 3 ? 9.431 12.917 8.085 1.0 7.06 ? 253 TRP B CG 1 3 . B ATOM 1640 C CD1 . TRP B 2 3 ? 8.708 12.848 6.926 1.0 6.6 ? 253 TRP B CD1 1 3 . B ATOM 1641 C CD2 . TRP B 2 3 ? 9.854 14.276 8.215 1.0 6.72 ? 253 TRP B CD2 1 3 . B ATOM 1642 N NE1 . TRP B 2 3 ? 8.661 14.094 6.328 1.0 7.36 ? 253 TRP B NE1 1 3 . B ATOM 1643 C CE2 . TRP B 2 3 ? 9.355 14.985 7.100 1.0 7.16 ? 253 TRP B CE2 1 3 . B ATOM 1644 C CE3 . TRP B 2 3 ? 10.610 14.963 9.178 1.0 7.54 ? 253 TRP B CE3 1 3 . B ATOM 1645 C CZ2 . TRP B 2 3 ? 9.575 16.362 6.920 1.0 7.33 ? 253 TRP B CZ2 1 3 . B ATOM 1646 C CZ3 . TRP B 2 3 ? 10.838 16.331 9.013 1.0 8.46 ? 253 TRP B CZ3 1 3 . B ATOM 1647 C CH2 . TRP B 2 3 ? 10.318 17.027 7.889 1.0 7.67 ? 253 TRP B CH2 1 3 . B ATOM 1648 O OXT . TRP B 2 3 ? 6.858 10.545 7.822 1.0 8.44 ? 253 TRP B OXT 1 3 . B HETATM 1649 CD CD . CD C 3 . ? 5.131 11.666 8.380 1.0 9.06 ? 801 CD C CD 1 801 . A HETATM 1650 CD CD . CD D 3 . ? 15.976 27.162 27.780 1.0 10.22 ? 802 CD D CD 1 802 . A HETATM 1651 CD CD . CD E 3 . ? -7.259 26.180 3.658 1.0 16.05 ? 803 CD E CD 1 803 . A HETATM 1652 CD CD . CD F 3 . ? 26.610 3.041 29.228 1.0 34.74 ? 804 CD F CD 1 804 . A HETATM 1653 CD CD . CD G 3 . ? -0.969 33.263 21.691 1.0 30.16 ? 805 CD G CD 1 805 . A HETATM 1654 CD CD . CD H 3 . ? -8.526 12.956 21.015 1.0 30.18 ? 806 CD H CD 1 806 . A HETATM 1655 CD CD . CD I 3 . ? 0.241 27.764 36.334 1.0 41.24 ? 807 CD I CD 1 807 . A HETATM 1656 CD CD . CD J 3 . ? 19.348 13.237 8.727 1.0 14.91 ? 808 CD J CD 1 808 . A HETATM 1657 CD CD . CD K 3 . ? -0.387 27.862 0.581 1.0 31.65 ? 809 CD K CD 1 809 . A HETATM 1658 CD CD . CD L 3 . ? -4.172 3.137 29.767 1.0 31.57 ? 810 CD L CD 1 810 . A HETATM 1659 O O . HOH M 4 . ? 22.804 23.135 14.522 1.0 20.2 ? 301 HOH M O 1 301 . A HETATM 1660 O O . HOH M 4 . ? 20.420 23.866 13.086 1.0 10.82 ? 302 HOH M O 1 302 . A HETATM 1661 O O . HOH M 4 . ? 20.824 24.715 10.245 1.0 23.48 ? 303 HOH M O 1 303 . A HETATM 1662 O O . HOH M 4 . ? 12.137 -4.101 15.971 1.0 9.8 ? 304 HOH M O 1 304 . A HETATM 1663 O O . HOH M 4 . ? 11.004 1.804 11.556 1.0 13.1 ? 305 HOH M O 1 305 . A HETATM 1664 O O . HOH M 4 . ? 20.528 25.347 6.636 1.0 26.76 ? 306 HOH M O 1 306 . A HETATM 1665 O O . HOH M 4 . ? 12.175 28.221 6.695 1.0 19.66 ? 307 HOH M O 1 307 . A HETATM 1666 O O . HOH M 4 . ? 13.271 30.387 7.808 1.0 18.7 ? 308 HOH M O 1 308 . A HETATM 1667 O O . HOH M 4 . ? 21.328 1.326 25.398 1.0 28.26 ? 309 HOH M O 1 309 . A HETATM 1668 O O . HOH M 4 . ? 10.059 -0.863 10.281 1.0 24.17 ? 310 HOH M O 1 310 . A HETATM 1669 O O . HOH M 4 . ? 13.456 -3.267 8.071 1.0 14.49 ? 311 HOH M O 1 311 . A HETATM 1670 O O . HOH M 4 . ? 16.186 -0.889 7.371 1.0 9.31 ? 312 HOH M O 1 312 . A HETATM 1671 O O . HOH M 4 . ? 7.945 15.475 -0.159 1.0 24.17 ? 313 HOH M O 1 313 . A HETATM 1672 O O . HOH M 4 . ? 19.556 -0.545 11.712 1.0 14.32 ? 314 HOH M O 1 314 . A HETATM 1673 O O . HOH M 4 . ? 4.470 29.298 19.772 1.0 14.79 ? 315 HOH M O 1 315 . A HETATM 1674 O O . HOH M 4 . ? -10.445 28.312 22.751 1.0 32.17 ? 316 HOH M O 1 316 . A HETATM 1675 O O . HOH M 4 . ? 6.235 32.379 20.700 1.0 23.58 ? 317 HOH M O 1 317 . A HETATM 1676 O O . HOH M 4 . ? 5.360 32.462 23.268 1.0 18.12 ? 318 HOH M O 1 318 . A HETATM 1677 O O . HOH M 4 . ? -8.138 21.601 22.123 1.0 17.08 ? 319 HOH M O 1 319 . A HETATM 1678 O O . HOH M 4 . ? -3.041 34.644 21.416 1.0 29.2 ? 320 HOH M O 1 320 . A HETATM 1679 O O . HOH M 4 . ? 0.809 31.596 21.935 1.0 21.7 ? 321 HOH M O 1 321 . A HETATM 1680 O O . HOH M 4 . ? 19.974 -2.700 8.260 1.0 13.26 ? 322 HOH M O 1 322 . A HETATM 1681 O O . HOH M 4 . ? 2.916 28.093 28.152 1.0 18.31 ? 323 HOH M O 1 323 . A HETATM 1682 O O . HOH M 4 . ? -6.544 6.189 26.116 1.0 14.39 ? 324 HOH M O 1 324 . A HETATM 1683 O O . HOH M 4 . ? -1.272 12.591 28.496 1.0 16.76 ? 325 HOH M O 1 325 . A HETATM 1684 O O . HOH M 4 . ? 4.839 22.078 33.654 1.0 7.51 ? 326 HOH M O 1 326 . A HETATM 1685 O O . HOH M 4 . ? 15.389 21.390 31.736 1.0 18.37 ? 327 HOH M O 1 327 . A HETATM 1686 O O . HOH M 4 . ? 25.405 3.224 25.067 1.0 35.07 ? 328 HOH M O 1 328 . A HETATM 1687 O O . HOH M 4 . ? 18.927 5.421 32.968 1.0 19.85 ? 329 HOH M O 1 329 . A HETATM 1688 O O . HOH M 4 . ? 13.580 7.576 34.362 1.0 39.59 ? 330 HOH M O 1 330 . A HETATM 1689 O O . HOH M 4 . ? -6.925 33.154 26.685 1.0 47.28 ? 331 HOH M O 1 331 . A HETATM 1690 O O . HOH M 4 . ? 19.628 3.691 23.441 1.0 17.37 ? 332 HOH M O 1 332 . A HETATM 1691 O O . HOH M 4 . ? 21.064 3.296 20.945 1.0 19.83 ? 333 HOH M O 1 333 . A HETATM 1692 O O . HOH M 4 . ? 29.990 8.786 26.183 1.0 26.49 ? 334 HOH M O 1 334 . A HETATM 1693 O O . HOH M 4 . ? 1.626 13.243 38.039 1.0 41.23 ? 335 HOH M O 1 335 . A HETATM 1694 O O . HOH M 4 . ? 2.530 17.377 37.683 1.0 19.69 ? 336 HOH M O 1 336 . A HETATM 1695 O O . HOH M 4 . ? 4.088 18.209 39.694 1.0 25.58 ? 337 HOH M O 1 337 . A HETATM 1696 O O . HOH M 4 . ? 7.537 13.544 43.236 1.0 47.87 ? 338 HOH M O 1 338 . A HETATM 1697 O O . HOH M 4 . ? 6.287 16.480 39.793 1.0 32.16 ? 339 HOH M O 1 339 . A HETATM 1698 O O . HOH M 4 . ? 5.126 10.359 44.009 1.0 42.62 ? 340 HOH M O 1 340 . A HETATM 1699 O O . HOH M 4 . ? -1.902 16.464 30.308 1.0 29.59 ? 341 HOH M O 1 341 . A HETATM 1700 O O . HOH M 4 . ? -1.392 21.603 29.180 1.0 30.18 ? 342 HOH M O 1 342 . A HETATM 1701 O O . HOH M 4 . ? -2.162 19.668 30.022 1.0 16.54 ? 343 HOH M O 1 343 . A HETATM 1702 O O . HOH M 4 . ? 27.446 3.341 18.178 1.0 33.45 ? 344 HOH M O 1 344 . A HETATM 1703 O O . HOH M 4 . ? 24.183 13.587 14.633 1.0 33.97 ? 345 HOH M O 1 345 . A HETATM 1704 O O . HOH M 4 . ? 17.162 5.437 10.537 1.0 10.71 ? 346 HOH M O 1 346 . A HETATM 1705 O O . HOH M 4 . ? 17.433 1.941 8.357 1.0 13.8 ? 347 HOH M O 1 347 . A HETATM 1706 O O . HOH M 4 . ? -7.300 15.631 27.453 1.0 18.47 ? 348 HOH M O 1 348 . A HETATM 1707 O O . HOH M 4 . ? 12.374 -3.162 5.036 1.0 3.28 ? 349 HOH M O 1 349 . A HETATM 1708 O O . HOH M 4 . ? -1.441 15.546 -4.849 1.0 14.37 ? 350 HOH M O 1 350 . A HETATM 1709 O O . HOH M 4 . ? 14.280 19.941 34.214 1.0 31.57 ? 351 HOH M O 1 351 . A HETATM 1710 O O . HOH M 4 . ? 12.920 18.124 34.062 1.0 18.94 ? 352 HOH M O 1 352 . A HETATM 1711 O O . HOH M 4 . ? 24.724 21.048 23.357 1.0 32.41 ? 353 HOH M O 1 353 . A HETATM 1712 O O . HOH M 4 . ? 20.836 15.884 6.536 1.0 19.76 ? 354 HOH M O 1 354 . A HETATM 1713 O O . HOH M 4 . ? 19.347 11.041 8.603 1.0 22.25 ? 355 HOH M O 1 355 . A HETATM 1714 O O . HOH M 4 . ? 18.966 15.631 7.968 1.0 10.97 ? 356 HOH M O 1 356 . A HETATM 1715 O O . HOH M 4 . ? 17.922 12.477 6.908 1.0 25.47 ? 357 HOH M O 1 357 . A HETATM 1716 O O . HOH M 4 . ? 8.414 2.672 10.488 1.0 40.19 ? 358 HOH M O 1 358 . A HETATM 1717 O O . HOH M 4 . ? 5.293 20.717 1.865 1.0 9.63 ? 359 HOH M O 1 359 . A HETATM 1718 O O . HOH M 4 . ? 5.665 18.549 0.103 1.0 18.13 ? 360 HOH M O 1 360 . A HETATM 1719 O O . HOH M 4 . ? -7.255 16.550 11.253 1.0 12.9 ? 361 HOH M O 1 361 . A HETATM 1720 O O . HOH M 4 . ? -8.674 15.315 13.273 1.0 23.0 ? 362 HOH M O 1 362 . A HETATM 1721 O O . HOH M 4 . ? -2.772 16.844 2.676 1.0 14.25 ? 363 HOH M O 1 363 . A HETATM 1722 O O . HOH M 4 . ? 1.117 13.281 0.339 1.0 19.86 ? 364 HOH M O 1 364 . A HETATM 1723 O O . HOH M 4 . ? -1.207 11.853 3.080 1.0 43.55 ? 365 HOH M O 1 365 . A HETATM 1724 O O . HOH M 4 . ? -0.394 18.670 6.242 1.0 9.15 ? 366 HOH M O 1 366 . A HETATM 1725 O O . HOH M 4 . ? 0.264 11.203 6.102 1.0 15.55 ? 367 HOH M O 1 367 . A HETATM 1726 O O . HOH M 4 . ? -2.429 8.646 8.526 1.0 33.62 ? 368 HOH M O 1 368 . A HETATM 1727 O O . HOH M 4 . ? 3.123 21.456 6.343 1.0 7.22 ? 369 HOH M O 1 369 . A HETATM 1728 O O . HOH M 4 . ? 4.286 16.217 0.662 1.0 13.73 ? 370 HOH M O 1 370 . A HETATM 1729 O O . HOH M 4 . ? 1.353 15.163 -3.459 1.0 6.46 ? 371 HOH M O 1 371 . A HETATM 1730 O O . HOH M 4 . ? -8.797 16.426 3.504 1.0 30.53 ? 372 HOH M O 1 372 . A HETATM 1731 O O . HOH M 4 . ? -9.169 14.606 5.179 1.0 39.4 ? 373 HOH M O 1 373 . A HETATM 1732 O O . HOH M 4 . ? -13.939 12.251 7.207 1.0 50.84 ? 374 HOH M O 1 374 . A HETATM 1733 O O . HOH M 4 . ? -6.142 19.553 5.127 1.0 14.98 ? 375 HOH M O 1 375 . A HETATM 1734 O O . HOH M 4 . ? 2.036 20.406 -0.786 1.0 11.35 ? 376 HOH M O 1 376 . A HETATM 1735 O O . HOH M 4 . ? 6.175 24.421 -6.084 1.0 23.03 ? 377 HOH M O 1 377 . A HETATM 1736 O O . HOH M 4 . ? 7.963 24.654 -4.293 1.0 46.95 ? 378 HOH M O 1 378 . A HETATM 1737 O O . HOH M 4 . ? 0.848 -1.968 25.780 1.0 31.98 ? 379 HOH M O 1 379 . A HETATM 1738 O O . HOH M 4 . ? 6.512 0.097 31.020 1.0 36.66 ? 380 HOH M O 1 380 . A HETATM 1739 O O . HOH M 4 . ? -1.921 26.594 -1.002 1.0 9.0 ? 381 HOH M O 1 381 . A HETATM 1740 O O . HOH M 4 . ? 12.181 15.867 -0.274 1.0 28.25 ? 382 HOH M O 1 382 . A HETATM 1741 O O . HOH M 4 . ? 1.816 32.867 18.688 1.0 35.01 ? 383 HOH M O 1 383 . A HETATM 1742 O O . HOH M 4 . ? 5.840 27.919 11.527 1.0 10.88 ? 384 HOH M O 1 384 . A HETATM 1743 O O . HOH M 4 . ? 3.634 27.880 10.050 1.0 11.08 ? 385 HOH M O 1 385 . A HETATM 1744 O O . HOH M 4 . ? 2.599 30.226 8.628 1.0 15.5 ? 386 HOH M O 1 386 . A HETATM 1745 O O . HOH M 4 . ? 0.568 25.886 1.375 1.0 1.28 ? 387 HOH M O 1 387 . A HETATM 1746 O O . HOH M 4 . ? 11.610 19.760 2.279 1.0 22.7 ? 388 HOH M O 1 388 . A HETATM 1747 O O . HOH M 4 . ? 2.760 30.628 5.707 1.0 28.73 ? 389 HOH M O 1 389 . A HETATM 1748 O O . HOH M 4 . ? -10.223 22.566 7.742 1.0 19.02 ? 390 HOH M O 1 390 . A HETATM 1749 O O . HOH M 4 . ? -10.254 20.531 5.025 1.0 29.84 ? 391 HOH M O 1 391 . A HETATM 1750 O O . HOH M 4 . ? -5.707 22.238 2.299 1.0 23.36 ? 392 HOH M O 1 392 . A HETATM 1751 O O . HOH M 4 . ? -3.890 30.477 7.079 1.0 22.34 ? 393 HOH M O 1 393 . A HETATM 1752 O O . HOH M 4 . ? -10.856 13.785 9.864 1.0 42.15 ? 394 HOH M O 1 394 . A HETATM 1753 O O . HOH M 4 . ? -11.547 14.677 12.404 1.0 37.15 ? 395 HOH M O 1 395 . A HETATM 1754 O O . HOH M 4 . ? -9.668 28.699 14.498 1.0 25.75 ? 396 HOH M O 1 396 . A HETATM 1755 O O . HOH M 4 . ? -9.033 27.644 10.441 1.0 20.93 ? 397 HOH M O 1 397 . A HETATM 1756 O O . HOH M 4 . ? -13.924 22.486 33.181 1.0 46.14 ? 398 HOH M O 1 398 . A HETATM 1757 O O . HOH M 4 . ? -14.915 17.524 21.193 1.0 46.58 ? 399 HOH M O 1 399 . A HETATM 1758 O O . HOH M 4 . ? -13.129 24.111 18.944 1.0 41.29 ? 400 HOH M O 1 400 . A HETATM 1759 O O . HOH M 4 . ? 4.583 34.760 20.329 1.0 43.74 ? 401 HOH M O 1 401 . A HETATM 1760 O O . HOH M 4 . ? -2.936 33.678 11.683 1.0 40.13 ? 402 HOH M O 1 402 . A HETATM 1761 O O . HOH M 4 . ? -9.447 32.772 16.881 1.0 41.64 ? 403 HOH M O 1 403 . A HETATM 1762 O O . HOH M 4 . ? -11.792 26.442 16.966 1.0 36.46 ? 404 HOH M O 1 404 . A HETATM 1763 O O . HOH M 4 . ? -7.780 32.165 22.362 1.0 26.75 ? 405 HOH M O 1 405 . A HETATM 1764 O O . HOH M 4 . ? 2.851 25.338 27.171 1.0 12.08 ? 406 HOH M O 1 406 . A HETATM 1765 O O . HOH M 4 . ? 4.917 23.546 31.100 1.0 28.08 ? 407 HOH M O 1 407 . A HETATM 1766 O O . HOH M 4 . ? 5.355 26.191 32.169 1.0 20.01 ? 408 HOH M O 1 408 . A HETATM 1767 O O . HOH M 4 . ? 17.116 12.942 33.959 1.0 26.22 ? 409 HOH M O 1 409 . A HETATM 1768 O O . HOH M 4 . ? 25.438 5.754 21.186 1.0 19.42 ? 410 HOH M O 1 410 . A HETATM 1769 O O . HOH M 4 . ? 22.526 9.132 16.196 1.0 30.44 ? 411 HOH M O 1 411 . A HETATM 1770 O O . HOH M 4 . ? 21.218 0.741 28.038 1.0 24.7 ? 412 HOH M O 1 412 . A HETATM 1771 O O . HOH M 4 . ? 14.691 15.708 -1.323 1.0 29.12 ? 415 HOH M O 1 415 . A HETATM 1772 O O . HOH M 4 . ? 18.511 14.631 2.825 1.0 38.96 ? 416 HOH M O 1 416 . A HETATM 1773 O O . HOH M 4 . ? 4.712 9.182 11.719 1.0 23.37 ? 417 HOH M O 1 417 . A HETATM 1774 O O . HOH M 4 . ? 3.549 18.612 -1.852 1.0 33.07 ? 418 HOH M O 1 418 . A HETATM 1775 O O . HOH M 4 . ? -6.868 13.512 4.334 1.0 34.92 ? 419 HOH M O 1 419 . A HETATM 1776 O O . HOH M 4 . ? -1.589 6.305 13.808 1.0 18.97 ? 420 HOH M O 1 420 . A HETATM 1777 O O . HOH M 4 . ? 4.086 23.346 -5.654 1.0 43.12 ? 421 HOH M O 1 421 . A HETATM 1778 O O . HOH M 4 . ? 17.926 26.772 2.918 1.0 42.58 ? 422 HOH M O 1 422 . A HETATM 1779 O O . HOH M 4 . ? 18.975 -0.174 8.996 1.0 18.47 ? 423 HOH M O 1 423 . A HETATM 1780 O O . HOH M 4 . ? 23.807 20.591 19.525 1.0 29.87 ? 424 HOH M O 1 424 . A HETATM 1781 O O . HOH M 4 . ? 21.335 12.945 7.660 1.0 22.05 ? 425 HOH M O 1 425 . A HETATM 1782 O O . HOH M 4 . ? 23.678 0.563 29.760 1.0 28.75 ? 426 HOH M O 1 426 . A HETATM 1783 O O . HOH M 4 . ? 12.346 4.039 44.713 1.0 48.57 ? 427 HOH M O 1 427 . A HETATM 1784 O O . HOH M 4 . ? 25.487 -2.275 32.378 1.0 39.81 ? 428 HOH M O 1 428 . A HETATM 1785 O O . HOH M 4 . ? 16.577 19.481 33.618 1.0 37.6 ? 429 HOH M O 1 429 . A HETATM 1786 O O . HOH M 4 . ? 19.628 24.857 29.640 1.0 39.51 ? 430 HOH M O 1 430 . A HETATM 1787 O O . HOH M 4 . ? 9.745 22.537 33.347 1.0 20.33 ? 431 HOH M O 1 431 . A HETATM 1788 O O . HOH M 4 . ? -9.034 26.800 4.907 1.0 21.65 ? 432 HOH M O 1 432 . A HETATM 1789 O O . HOH M 4 . ? -9.982 25.342 7.348 1.0 19.17 ? 433 HOH M O 1 433 . A HETATM 1790 O O . HOH M 4 . ? -7.155 28.417 3.456 1.0 26.67 ? 434 HOH M O 1 434 . A HETATM 1791 O O . HOH M 4 . ? -8.681 19.109 6.925 1.0 19.82 ? 435 HOH M O 1 435 . A HETATM 1792 O O . HOH M 4 . ? -11.809 16.482 6.130 1.0 42.02 ? 436 HOH M O 1 436 . A HETATM 1793 O O . HOH M 4 . ? -2.865 31.436 14.740 1.0 13.56 ? 437 HOH M O 1 437 . A HETATM 1794 O O . HOH M 4 . ? -4.986 33.714 8.836 1.0 47.88 ? 438 HOH M O 1 438 . A HETATM 1795 O O . HOH M 4 . ? 0.075 34.369 23.421 1.0 30.24 ? 439 HOH M O 1 439 . A HETATM 1796 O O . HOH M 4 . ? -3.911 26.605 18.780 1.0 12.14 ? 440 HOH M O 1 440 . A HETATM 1797 O O . HOH M 4 . ? 2.656 32.290 25.253 1.0 40.22 ? 441 HOH M O 1 441 . A HETATM 1798 O O . HOH M 4 . ? -1.832 30.772 10.851 1.0 21.02 ? 442 HOH M O 1 442 . A HETATM 1799 O O . HOH M 4 . ? -7.353 10.516 21.504 1.0 41.32 ? 443 HOH M O 1 443 . A HETATM 1800 O O . HOH M 4 . ? -12.470 19.786 26.260 1.0 40.23 ? 444 HOH M O 1 444 . A HETATM 1801 O O . HOH M 4 . ? -10.357 15.780 26.204 1.0 33.9 ? 445 HOH M O 1 445 . A HETATM 1802 O O . HOH M 4 . ? -6.080 8.945 27.735 1.0 21.11 ? 446 HOH M O 1 446 . A HETATM 1803 O O . HOH M 4 . ? 1.427 0.736 15.667 1.0 42.16 ? 447 HOH M O 1 447 . A HETATM 1804 O O . HOH M 4 . ? 3.597 -1.991 23.219 1.0 39.18 ? 448 HOH M O 1 448 . A HETATM 1805 O O . HOH M 4 . ? -13.142 19.623 8.848 1.0 39.13 ? 449 HOH M O 1 449 . A HETATM 1806 O O . HOH M 4 . ? -5.874 13.072 10.121 1.0 29.64 ? 450 HOH M O 1 450 . A HETATM 1807 O O . HOH M 4 . ? 7.212 -0.514 27.699 1.0 20.2 ? 451 HOH M O 1 451 . A HETATM 1808 O O . HOH M 4 . ? 5.174 -2.026 21.016 1.0 19.88 ? 452 HOH M O 1 452 . A HETATM 1809 O O . HOH M 4 . ? 7.619 27.207 3.077 1.0 37.32 ? 453 HOH M O 1 453 . A HETATM 1810 O O . HOH M 4 . ? -4.414 3.089 27.406 1.0 33.14 ? 454 HOH M O 1 454 . A HETATM 1811 O O . HOH M 4 . ? -3.453 0.874 29.764 1.0 11.52 ? 455 HOH M O 1 455 . A HETATM 1812 O O . HOH M 4 . ? -5.346 4.835 29.620 1.0 29.01 ? 456 HOH M O 1 456 . A HETATM 1813 O O . HOH M 4 . ? 10.713 -2.814 26.639 1.0 32.54 ? 457 HOH M O 1 457 . A HETATM 1814 O O . HOH M 4 . ? 26.851 17.592 33.007 1.0 32.68 ? 458 HOH M O 1 458 . A HETATM 1815 O O . HOH M 4 . ? 18.598 25.388 31.750 1.0 36.82 ? 459 HOH M O 1 459 . A HETATM 1816 O O . HOH M 4 . ? 22.514 25.142 16.269 1.0 17.95 ? 460 HOH M O 1 460 . A HETATM 1817 O O . HOH M 4 . ? 24.788 15.634 10.253 1.0 27.07 ? 461 HOH M O 1 461 . A HETATM 1818 O O . HOH M 4 . ? 2.881 19.399 35.257 1.0 27.89 ? 462 HOH M O 1 462 . A HETATM 1819 O O . HOH M 4 . ? 23.270 2.608 24.160 1.0 23.74 ? 463 HOH M O 1 463 . A HETATM 1820 O O . HOH M 4 . ? 23.330 1.936 21.269 1.0 15.3 ? 464 HOH M O 1 464 . A HETATM 1821 O O . HOH M 4 . ? 23.141 -0.444 19.861 1.0 17.77 ? 465 HOH M O 1 465 . A HETATM 1822 O O . HOH M 4 . ? 25.896 -2.438 29.234 1.0 42.25 ? 466 HOH M O 1 466 . A HETATM 1823 O O . HOH M 4 . ? -0.005 35.816 5.165 1.0 40.1 ? 467 HOH M O 1 467 . A HETATM 1824 O O . HOH M 4 . ? 26.678 2.097 27.386 1.0 40.57 ? 468 HOH M O 1 468 . A HETATM 1825 O O . HOH M 4 . ? 27.600 2.181 22.685 1.0 24.64 ? 469 HOH M O 1 469 . A HETATM 1826 O O . HOH M 4 . ? 28.543 13.987 18.674 1.0 49.83 ? 470 HOH M O 1 470 . A HETATM 1827 O O . HOH M 4 . ? 31.137 9.158 22.494 1.0 49.75 ? 471 HOH M O 1 471 . A HETATM 1828 O O . HOH M 4 . ? 32.534 14.906 28.361 1.0 45.37 ? 472 HOH M O 1 472 . A HETATM 1829 O O . HOH M 4 . ? 16.394 16.232 33.886 1.0 33.97 ? 473 HOH M O 1 473 . A HETATM 1830 O O . HOH M 4 . ? 22.329 22.745 30.584 1.0 40.22 ? 474 HOH M O 1 474 . A HETATM 1831 O O . HOH M 4 . ? 18.042 27.212 33.829 1.0 40.23 ? 475 HOH M O 1 475 . A HETATM 1832 O O . HOH M 4 . ? 12.296 -1.011 32.848 1.0 44.66 ? 476 HOH M O 1 476 . A HETATM 1833 O O . HOH M 4 . ? 16.918 8.871 34.006 1.0 38.48 ? 477 HOH M O 1 477 . A HETATM 1834 O O . HOH M 4 . ? 17.318 -4.344 32.781 1.0 43.62 ? 478 HOH M O 1 478 . A HETATM 1835 O O . HOH M 4 . ? 7.231 4.704 38.781 1.0 44.91 ? 479 HOH M O 1 479 . A HETATM 1836 O O . HOH M 4 . ? 0.166 12.901 35.341 1.0 30.74 ? 480 HOH M O 1 480 . A HETATM 1837 O O . HOH M 4 . ? 0.478 11.496 42.821 1.0 43.52 ? 481 HOH M O 1 481 . A HETATM 1838 O O . HOH M 4 . ? 25.664 3.386 20.900 1.0 33.55 ? 482 HOH M O 1 482 . A HETATM 1839 O O . HOH M 4 . ? 29.232 10.671 14.932 1.0 47.09 ? 483 HOH M O 1 483 . A HETATM 1840 O O . HOH M 4 . ? 20.041 8.625 9.673 1.0 31.0 ? 484 HOH M O 1 484 . A HETATM 1841 O O . HOH M 4 . ? 22.295 5.616 12.117 1.0 22.69 ? 485 HOH M O 1 485 . A HETATM 1842 O O . HOH M 4 . ? 25.148 16.179 16.693 1.0 42.38 ? 486 HOH M O 1 486 . A HETATM 1843 O O . HOH M 4 . ? 21.915 10.698 6.256 1.0 45.72 ? 487 HOH M O 1 487 . A HETATM 1844 O O . HOH M 4 . ? 19.332 3.958 8.095 1.0 22.89 ? 488 HOH M O 1 488 . A HETATM 1845 O O . HOH M 4 . ? 27.185 18.116 17.286 1.0 44.13 ? 489 HOH M O 1 489 . A HETATM 1846 O O . HOH M 4 . ? 30.807 13.678 15.835 1.0 45.44 ? 490 HOH M O 1 490 . A HETATM 1847 O O . HOH M 4 . ? 11.230 -3.353 9.595 1.0 30.41 ? 491 HOH M O 1 491 . A HETATM 1848 O O . HOH M 4 . ? 7.449 11.241 -1.828 1.0 38.37 ? 492 HOH M O 1 492 . A HETATM 1849 O O . HOH M 4 . ? 7.791 7.400 9.737 1.0 11.96 ? 493 HOH M O 1 493 . A HETATM 1850 O O . HOH M 4 . ? 22.499 7.728 7.607 1.0 48.55 ? 494 HOH M O 1 494 . A HETATM 1851 O O . HOH M 4 . ? -8.567 15.365 9.233 1.0 32.01 ? 496 HOH M O 1 496 . A HETATM 1852 O O . HOH M 4 . ? -11.428 12.905 14.928 1.0 46.75 ? 497 HOH M O 1 497 . A HETATM 1853 O O . HOH M 4 . ? -10.723 27.424 27.399 1.0 45.33 ? 498 HOH M O 1 498 . A HETATM 1854 O O . HOH M 4 . ? -3.443 4.003 17.811 1.0 43.82 ? 499 HOH M O 1 499 . A HETATM 1855 O O . HOH M 4 . ? -15.079 17.748 23.565 1.0 47.95 ? 500 HOH M O 1 500 . A HETATM 1856 O O . HOH M 4 . ? 1.416 -1.069 21.985 1.0 37.68 ? 501 HOH M O 1 501 . A HETATM 1857 O O . HOH M 4 . ? 5.257 -2.336 27.422 1.0 41.54 ? 502 HOH M O 1 502 . A HETATM 1858 O O . HOH M 4 . ? 26.951 27.544 12.724 1.0 45.38 ? 503 HOH M O 1 503 . A HETATM 1859 O O . HOH M 4 . ? 2.495 11.033 1.789 1.0 25.7 ? 504 HOH M O 1 504 . A HETATM 1860 O O . HOH M 4 . ? 6.753 26.170 -1.364 1.0 34.88 ? 505 HOH M O 1 505 . A HETATM 1861 O O . HOH M 4 . ? 16.370 23.670 6.536 1.0 18.88 ? 506 HOH M O 1 506 . A HETATM 1862 O O . HOH M 4 . ? 1.762 30.472 27.675 1.0 35.5 ? 507 HOH M O 1 507 . A HETATM 1863 O O . HOH M 4 . ? -7.368 28.816 25.046 1.0 36.62 ? 508 HOH M O 1 508 . A HETATM 1864 O O . HOH M 4 . ? 9.512 6.747 38.863 1.0 40.64 ? 509 HOH M O 1 509 . A HETATM 1865 O O . HOH M 4 . ? -8.338 33.913 19.326 1.0 46.55 ? 510 HOH M O 1 510 . A HETATM 1866 O O . HOH M 4 . ? 28.051 6.845 20.480 1.0 34.34 ? 512 HOH M O 1 512 . A HETATM 1867 O O . HOH M 4 . ? 28.246 12.342 16.765 1.0 48.56 ? 513 HOH M O 1 513 . A HETATM 1868 O O . HOH M 4 . ? 11.585 20.602 34.662 1.0 34.24 ? 514 HOH M O 1 514 . A HETATM 1869 O O . HOH M 4 . ? 2.419 2.863 37.158 1.0 41.87 ? 515 HOH M O 1 515 . A HETATM 1870 O O . HOH M 4 . ? -17.757 18.561 7.162 1.0 48.68 ? 516 HOH M O 1 516 . A HETATM 1871 O O . HOH M 4 . ? -8.201 12.513 16.715 1.0 36.23 ? 517 HOH M O 1 517 . A HETATM 1872 O O . HOH M 4 . ? -13.983 14.869 9.614 1.0 51.07 ? 518 HOH M O 1 518 . A HETATM 1873 O O . HOH M 4 . ? -4.122 6.764 15.612 1.0 41.08 ? 519 HOH M O 1 519 . A HETATM 1874 O O . HOH M 4 . ? 3.958 -2.963 15.561 1.0 48.0 ? 520 HOH M O 1 520 . A HETATM 1875 O O . HOH M 4 . ? 1.442 4.741 10.370 1.0 42.29 ? 521 HOH M O 1 521 . A HETATM 1876 O O . HOH M 4 . ? 5.388 -2.470 13.263 1.0 33.36 ? 522 HOH M O 1 522 . A HETATM 1877 O O . HOH M 4 . ? 23.948 24.751 18.587 1.0 37.42 ? 523 HOH M O 1 523 . A HETATM 1878 O O . HOH M 4 . ? -7.241 13.178 14.089 1.0 34.34 ? 524 HOH M O 1 524 . A HETATM 1879 O O . HOH M 4 . ? -10.774 10.245 13.796 1.0 46.7 ? 525 HOH M O 1 525 . A HETATM 1880 O O . HOH M 4 . ? -15.446 19.994 20.624 1.0 41.55 ? 526 HOH M O 1 526 . A HETATM 1881 O O . HOH M 4 . ? -10.911 2.974 18.503 1.0 49.12 ? 527 HOH M O 1 527 . A HETATM 1882 O O . HOH M 4 . ? 3.897 5.350 8.775 1.0 29.68 ? 528 HOH M O 1 528 . A HETATM 1883 O O . HOH M 4 . ? -7.938 18.785 32.769 1.0 48.25 ? 529 HOH M O 1 529 . A HETATM 1884 O O . HOH M 4 . ? -13.394 20.016 5.786 1.0 43.24 ? 530 HOH M O 1 530 . A HETATM 1885 O O . HOH M 4 . ? 26.717 14.048 32.812 1.0 40.26 ? 531 HOH M O 1 531 . A HETATM 1886 O O . HOH M 4 . ? 24.561 10.366 36.132 1.0 49.77 ? 532 HOH M O 1 532 . A HETATM 1887 O O . HOH M 4 . ? 23.171 22.765 21.662 1.0 43.32 ? 533 HOH M O 1 533 . A HETATM 1888 O O . HOH M 4 . ? 20.030 23.914 38.074 1.0 37.47 ? 534 HOH M O 1 534 . A HETATM 1889 O O . HOH M 4 . ? 26.518 23.764 31.711 1.0 51.01 ? 535 HOH M O 1 535 . A HETATM 1890 O O . HOH M 4 . ? 31.414 23.155 28.125 1.0 45.6 ? 536 HOH M O 1 536 . A HETATM 1891 O O . HOH M 4 . ? 26.067 20.917 12.075 1.0 38.14 ? 537 HOH M O 1 537 . A HETATM 1892 O O . HOH M 4 . ? 27.102 14.794 10.921 1.0 50.79 ? 538 HOH M O 1 538 . A HETATM 1893 O O . HOH M 4 . ? 25.140 21.269 4.671 1.0 47.18 ? 539 HOH M O 1 539 . A HETATM 1894 O O . HOH M 4 . ? 19.914 17.511 4.351 1.0 34.46 ? 540 HOH M O 1 540 . A HETATM 1895 O O . HOH M 4 . ? 12.109 28.698 2.482 1.0 29.83 ? 541 HOH M O 1 541 . A HETATM 1896 O O . HOH M 4 . ? 12.463 26.045 1.844 1.0 28.33 ? 542 HOH M O 1 542 . A HETATM 1897 O O . HOH M 4 . ? 14.540 26.928 5.594 1.0 21.5 ? 543 HOH M O 1 543 . A HETATM 1898 O O . HOH M 4 . ? 23.864 25.043 10.296 1.0 37.14 ? 544 HOH M O 1 544 . A HETATM 1899 O O . HOH M 4 . ? -0.690 36.134 8.552 1.0 45.28 ? 545 HOH M O 1 545 . A HETATM 1900 O O . HOH M 4 . ? 10.549 28.905 4.604 1.0 28.49 ? 546 HOH M O 1 546 . A HETATM 1901 O O . HOH M 4 . ? -8.638 31.759 8.366 1.0 45.91 ? 547 HOH M O 1 547 . A HETATM 1902 O O . HOH M 4 . ? 8.390 9.861 4.806 1.0 15.57 ? 548 HOH M O 1 548 . A HETATM 1903 O O . HOH M 4 . ? 21.361 -1.773 32.833 1.0 41.79 ? 549 HOH M O 1 549 . A HETATM 1904 O O . HOH M 4 . ? 10.162 -1.443 30.191 1.0 44.25 ? 550 HOH M O 1 550 . A HETATM 1905 O O . HOH M 4 . ? 6.226 14.395 -2.218 1.0 31.33 ? 551 HOH M O 1 551 . A HETATM 1906 O O . HOH M 4 . ? 10.472 17.885 0.620 1.0 31.37 ? 552 HOH M O 1 552 . A HETATM 1907 O O . HOH M 4 . ? 7.955 17.893 -0.475 1.0 20.23 ? 553 HOH M O 1 553 . A HETATM 1908 O O . HOH M 4 . ? 0.548 21.559 -7.901 1.0 26.39 ? 554 HOH M O 1 554 . A HETATM 1909 O O . HOH M 4 . ? 1.947 27.932 -1.096 1.0 30.02 ? 555 HOH M O 1 555 . A HETATM 1910 O O . HOH M 4 . ? 0.707 28.976 2.739 1.0 31.96 ? 556 HOH M O 1 556 . A HETATM 1911 O O . HOH M 4 . ? -1.010 29.861 0.088 1.0 29.47 ? 557 HOH M O 1 557 . A HETATM 1912 O O . HOH M 4 . ? 25.751 8.391 16.126 1.0 32.84 ? 558 HOH M O 1 558 . A HETATM 1913 O O . HOH M 4 . ? 25.822 7.423 18.169 1.0 35.77 ? 559 HOH M O 1 559 . A HETATM 1914 O O . HOH M 4 . ? 26.176 3.152 35.373 1.0 40.9 ? 560 HOH M O 1 560 . A HETATM 1915 O O . HOH M 4 . ? 30.353 20.067 20.759 1.0 47.83 ? 561 HOH M O 1 561 . A HETATM 1916 O O . HOH M 4 . ? 18.438 24.368 6.836 1.0 16.86 ? 562 HOH M O 1 562 . A HETATM 1917 O O . HOH M 4 . ? 19.311 6.103 39.597 1.0 47.59 ? 563 HOH M O 1 563 . A HETATM 1918 O O . HOH M 4 . ? 31.093 14.241 30.244 1.0 39.84 ? 564 HOH M O 1 564 . A HETATM 1919 O O . HOH M 4 . ? 29.533 21.394 27.917 1.0 43.75 ? 565 HOH M O 1 565 . A HETATM 1920 O O . HOH M 4 . ? 13.397 13.449 35.046 1.0 42.6 ? 566 HOH M O 1 566 . A HETATM 1921 O O . HOH M 4 . ? 18.655 6.819 35.064 1.0 40.87 ? 567 HOH M O 1 567 . A HETATM 1922 O O . HOH M 4 . ? 12.568 20.758 32.190 1.0 42.41 ? 568 HOH M O 1 568 . A HETATM 1923 O O . HOH M 4 . ? 24.981 19.152 40.565 1.0 45.47 ? 569 HOH M O 1 569 . A HETATM 1924 O O . HOH M 4 . ? 24.442 12.343 33.999 1.0 45.7 ? 570 HOH M O 1 570 . A HETATM 1925 O O . HOH M 4 . ? 31.836 16.819 26.880 1.0 47.71 ? 571 HOH M O 1 571 . A HETATM 1926 O O . HOH M 4 . ? 31.651 14.650 35.109 1.0 45.21 ? 572 HOH M O 1 572 . A HETATM 1927 O O . HOH M 4 . ? 29.939 13.744 33.171 1.0 47.1 ? 573 HOH M O 1 573 . A HETATM 1928 O O . HOH M 4 . ? 24.431 2.889 39.163 1.0 48.19 ? 574 HOH M O 1 574 . A HETATM 1929 O O . HOH M 4 . ? 8.483 -1.926 2.906 1.0 42.13 ? 575 HOH M O 1 575 . A HETATM 1930 O O . HOH M 4 . ? 21.783 25.699 29.626 1.0 39.63 ? 576 HOH M O 1 576 . A HETATM 1931 O O . HOH M 4 . ? -3.526 5.965 11.741 1.0 44.45 ? 577 HOH M O 1 577 . A HETATM 1932 O O . HOH M 4 . ? -6.512 13.667 20.612 1.0 17.52 ? 578 HOH M O 1 578 . A HETATM 1933 O O . HOH M 4 . ? -15.131 19.964 10.304 1.0 43.74 ? 579 HOH M O 1 579 . A HETATM 1934 O O . HOH M 4 . ? -14.850 24.932 15.259 1.0 42.4 ? 580 HOH M O 1 580 . A HETATM 1935 O O . HOH M 4 . ? -10.991 35.513 19.688 1.0 48.27 ? 581 HOH M O 1 581 . A HETATM 1936 O O . HOH M 4 . ? -1.845 13.584 30.922 1.0 37.79 ? 582 HOH M O 1 582 . A HETATM 1937 O O . HOH M 4 . ? -2.064 -0.013 26.958 1.0 45.32 ? 583 HOH M O 1 583 . A HETATM 1938 O O . HOH M 4 . ? 1.181 -3.842 18.667 1.0 45.4 ? 584 HOH M O 1 584 . A HETATM 1939 O O . HOH M 4 . ? 2.761 0.952 18.138 1.0 35.63 ? 585 HOH M O 1 585 . A HETATM 1940 O O . HOH M 4 . ? -8.487 -3.237 13.450 1.0 46.85 ? 586 HOH M O 1 586 . A HETATM 1941 O O . HOH M 4 . ? -0.818 7.583 33.828 1.0 37.61 ? 587 HOH M O 1 587 . A HETATM 1942 O O . HOH M 4 . ? -12.686 30.159 18.747 1.0 46.55 ? 588 HOH M O 1 588 . A HETATM 1943 O O . HOH M 4 . ? -18.110 33.348 8.700 1.0 44.74 ? 589 HOH M O 1 589 . A HETATM 1944 O O . HOH M 4 . ? -8.637 30.156 6.519 1.0 45.86 ? 590 HOH M O 1 590 . A HETATM 1945 O O . HOH M 4 . ? -14.597 17.169 9.142 1.0 47.54 ? 591 HOH M O 1 591 . A HETATM 1946 O O . HOH M 4 . ? 27.639 5.529 30.655 1.0 42.01 ? 592 HOH M O 1 592 . A HETATM 1947 O O . HOH M 4 . ? 23.861 -0.553 33.909 1.0 39.3 ? 593 HOH M O 1 593 . A HETATM 1948 O O . HOH M 4 . ? 28.283 -0.119 31.271 1.0 41.74 ? 594 HOH M O 1 594 . A HETATM 1949 O O . HOH M 4 . ? -9.598 30.552 24.502 1.0 38.97 ? 595 HOH M O 1 595 . A HETATM 1950 O O . HOH M 4 . ? 2.700 14.146 40.026 1.0 43.59 ? 596 HOH M O 1 596 . A HETATM 1951 O O . HOH M 4 . ? -9.955 5.420 19.464 1.0 45.11 ? 597 HOH M O 1 597 . A HETATM 1952 O O . HOH M 4 . ? -4.317 0.661 13.878 1.0 47.59 ? 598 HOH M O 1 598 . A HETATM 1953 O O . HOH M 4 . ? -5.347 2.726 19.144 1.0 40.34 ? 599 HOH M O 1 599 . A HETATM 1954 O O . HOH M 4 . ? -11.142 14.490 22.751 1.0 43.02 ? 600 HOH M O 1 600 . A HETATM 1955 O O . HOH M 4 . ? -13.391 13.418 32.027 0.5 44.63 ? 601 HOH M O 1 601 . A HETATM 1956 O O . HOH M 4 . ? 11.343 2.662 34.813 1.0 40.85 ? 602 HOH M O 1 602 . A HETATM 1957 O O . HOH M 4 . ? 20.029 -1.096 40.418 1.0 46.75 ? 603 HOH M O 1 603 . A HETATM 1958 O O . HOH M 4 . ? 14.467 -2.114 32.632 1.0 46.67 ? 604 HOH M O 1 604 . A HETATM 1959 O O . HOH M 4 . ? 4.182 2.756 10.055 1.0 37.8 ? 605 HOH M O 1 605 . A HETATM 1960 O O . HOH M 4 . ? -19.510 20.185 18.783 1.0 46.21 ? 606 HOH M O 1 606 . A HETATM 1961 O O . HOH M 4 . ? -18.395 18.154 16.875 1.0 45.87 ? 607 HOH M O 1 607 . A HETATM 1962 O O . HOH M 4 . ? -10.522 26.523 29.729 1.0 42.37 ? 608 HOH M O 1 608 . A HETATM 1963 O O . HOH M 4 . ? 29.220 14.841 36.131 1.0 47.16 ? 609 HOH M O 1 609 . A HETATM 1964 O O . HOH M 4 . ? 1.023 36.421 26.156 1.0 47.62 ? 610 HOH M O 1 610 . A HETATM 1965 O O . HOH M 4 . ? 24.084 6.253 40.552 1.0 44.07 ? 611 HOH M O 1 611 . A HETATM 1966 O O . HOH M 4 . ? 23.890 7.099 38.152 1.0 44.8 ? 612 HOH M O 1 612 . A HETATM 1967 O O . HOH M 4 . ? 0.486 33.579 12.230 1.0 41.35 ? 613 HOH M O 1 613 . A HETATM 1968 O O . HOH M 4 . ? 11.522 22.453 -3.825 1.0 46.66 ? 614 HOH M O 1 614 . A HETATM 1969 O O . HOH M 4 . ? 25.687 26.559 14.567 1.0 45.91 ? 615 HOH M O 1 615 . A HETATM 1970 O O . HOH M 4 . ? 27.760 22.093 20.430 1.0 41.86 ? 616 HOH M O 1 616 . A HETATM 1971 O O . HOH M 4 . ? 29.391 25.490 24.730 1.0 42.94 ? 617 HOH M O 1 617 . A HETATM 1972 O O . HOH M 4 . ? 28.305 21.572 13.768 1.0 39.74 ? 618 HOH M O 1 618 . A HETATM 1973 O O . HOH M 4 . ? 24.942 23.399 13.035 1.0 38.05 ? 619 HOH M O 1 619 . A HETATM 1974 O O . HOH M 4 . ? -0.402 -4.438 20.579 1.0 40.74 ? 620 HOH M O 1 620 . A HETATM 1975 O O . HOH M 4 . ? 17.513 16.253 5.134 1.0 35.73 ? 621 HOH M O 1 621 . A HETATM 1976 O O . HOH M 4 . ? 8.311 25.749 0.488 1.0 30.87 ? 622 HOH M O 1 622 . A HETATM 1977 O O . HOH M 4 . ? 21.690 25.661 22.921 1.0 36.52 ? 623 HOH M O 1 623 . A HETATM 1978 O O . HOH M 4 . ? 22.533 16.844 8.344 1.0 35.34 ? 624 HOH M O 1 624 . A HETATM 1979 O O . HOH M 4 . ? 3.082 22.159 -7.690 1.0 33.95 ? 625 HOH M O 1 625 . A HETATM 1980 O O . HOH M 4 . ? 28.861 2.435 29.891 1.0 34.4 ? 626 HOH M O 1 626 . A HETATM 1981 O O . HOH M 4 . ? 21.712 4.285 40.052 1.0 36.49 ? 627 HOH M O 1 627 . A HETATM 1982 O O . HOH M 4 . ? 6.914 -1.449 10.637 1.0 37.61 ? 628 HOH M O 1 628 . A HETATM 1983 O O . HOH M 4 . ? 12.558 6.425 36.084 1.0 32.64 ? 629 HOH M O 1 629 . A HETATM 1984 O O . HOH M 4 . ? 15.086 9.552 35.193 1.0 20.57 ? 630 HOH M O 1 630 . A HETATM 1985 O O . HOH M 4 . ? -5.770 30.925 26.834 1.0 30.74 ? 631 HOH M O 1 631 . A HETATM 1986 O O . HOH M 4 . ? 8.157 17.736 40.791 1.0 30.9 ? 632 HOH M O 1 632 . A HETATM 1987 O O . HOH M 4 . ? -0.563 18.185 31.436 1.0 36.18 ? 633 HOH M O 1 633 . A HETATM 1988 O O . HOH M 4 . ? 21.017 14.507 4.801 1.0 33.68 ? 634 HOH M O 1 634 . A HETATM 1989 O O . HOH M 4 . ? 8.499 4.799 9.005 1.0 18.96 ? 635 HOH M O 1 635 . A HETATM 1990 O O . HOH M 4 . ? 6.404 5.359 6.984 1.0 31.86 ? 636 HOH M O 1 636 . A HETATM 1991 O O . HOH M 4 . ? 4.893 7.687 9.923 1.0 21.5 ? 637 HOH M O 1 637 . A HETATM 1992 O O . HOH M 4 . ? 3.942 16.375 -2.412 1.0 25.4 ? 638 HOH M O 1 638 . A HETATM 1993 O O . HOH M 4 . ? 2.320 13.291 -2.224 1.0 31.56 ? 639 HOH M O 1 639 . A HETATM 1994 O O . HOH M 4 . ? 7.260 -4.278 28.328 1.0 32.37 ? 640 HOH M O 1 640 . A HETATM 1995 O O . HOH M 4 . ? 0.140 34.478 20.008 1.0 31.1 ? 641 HOH M O 1 641 . A HETATM 1996 O O . HOH M 4 . ? 1.674 36.783 20.280 1.0 35.85 ? 642 HOH M O 1 642 . A HETATM 1997 O O . HOH M 4 . ? 2.864 35.465 15.973 1.0 32.61 ? 643 HOH M O 1 643 . A HETATM 1998 O O . HOH M 4 . ? 2.870 27.955 4.587 1.0 25.17 ? 644 HOH M O 1 644 . A HETATM 1999 O O . HOH M 4 . ? -1.592 32.163 12.710 1.0 24.15 ? 645 HOH M O 1 645 . A HETATM 2000 O O . HOH M 4 . ? 0.699 33.507 9.503 1.0 35.85 ? 646 HOH M O 1 646 . A HETATM 2001 O O . HOH M 4 . ? 4.273 31.060 21.572 1.0 32.59 ? 647 HOH M O 1 647 . A HETATM 2002 O O . HOH M 4 . ? -10.228 32.645 20.742 1.0 33.49 ? 648 HOH M O 1 648 . A HETATM 2003 O O . HOH M 4 . ? -14.616 33.126 18.758 1.0 38.07 ? 649 HOH M O 1 649 . A HETATM 2004 O O . HOH M 4 . ? -13.771 34.171 15.518 1.0 35.42 ? 650 HOH M O 1 650 . A HETATM 2005 O O . HOH M 4 . ? -15.786 32.554 16.253 1.0 37.01 ? 651 HOH M O 1 651 . A HETATM 2006 O O . HOH M 4 . ? -10.105 31.902 12.121 1.0 31.19 ? 652 HOH M O 1 652 . A HETATM 2007 O O . HOH M 4 . ? -9.334 34.517 13.197 1.0 34.35 ? 653 HOH M O 1 653 . A HETATM 2008 O O . HOH M 4 . ? -0.242 18.476 41.364 1.0 33.78 ? 654 HOH M O 1 654 . A HETATM 2009 O O . HOH M 4 . ? 20.876 10.943 20.035 1.0 34.01 ? 655 HOH M O 1 655 . A HETATM 2010 O O . HOH M 4 . ? 25.078 23.926 27.012 1.0 35.07 ? 656 HOH M O 1 656 . A HETATM 2011 O O . HOH M 4 . ? 26.975 24.951 27.925 1.0 36.08 ? 657 HOH M O 1 657 . A HETATM 2012 O O . HOH M 4 . ? 8.082 4.946 41.251 1.0 38.28 ? 658 HOH M O 1 658 . A HETATM 2013 O O . HOH M 4 . ? 8.949 5.234 43.422 1.0 39.28 ? 659 HOH M O 1 659 . A HETATM 2014 O O . HOH M 4 . ? 6.612 3.269 44.734 1.0 34.5 ? 660 HOH M O 1 660 . A HETATM 2015 O O . HOH M 4 . ? 11.575 3.803 40.206 1.0 33.11 ? 661 HOH M O 1 661 . A HETATM 2016 O O . HOH M 4 . ? 29.198 1.075 34.019 1.0 37.17 ? 662 HOH M O 1 662 . A HETATM 2017 O O . HOH M 4 . ? 16.163 26.119 32.926 1.0 29.94 ? 663 HOH M O 1 663 . A HETATM 2018 O O . HOH M 4 . ? 20.891 26.205 33.559 1.0 31.39 ? 664 HOH M O 1 664 . A HETATM 2019 O O . HOH M 4 . ? -1.540 12.467 -0.451 1.0 27.52 ? 665 HOH M O 1 665 . A HETATM 2020 O O . HOH M 4 . ? 25.754 22.601 36.839 1.0 35.56 ? 666 HOH M O 1 666 . A HETATM 2021 O O . HOH M 4 . ? 29.715 23.739 31.566 1.0 34.8 ? 667 HOH M O 1 667 . A HETATM 2022 O O . HOH M 4 . ? 29.957 24.974 27.494 1.0 37.55 ? 668 HOH M O 1 668 . A HETATM 2023 O O . HOH M 4 . ? 31.502 20.526 25.098 1.0 36.26 ? 669 HOH M O 1 669 . A HETATM 2024 O O . HOH M 4 . ? 36.400 16.698 26.770 1.0 32.1 ? 670 HOH M O 1 670 . A HETATM 2025 O O . HOH M 4 . ? 33.180 18.530 23.721 1.0 34.91 ? 671 HOH M O 1 671 . A HETATM 2026 O O . HOH M 4 . ? 33.055 16.710 22.124 1.0 35.83 ? 672 HOH M O 1 672 . A HETATM 2027 O O . HOH M 4 . ? 26.022 24.174 16.427 1.0 33.17 ? 673 HOH M O 1 673 . A HETATM 2028 O O . HOH M 4 . ? 3.770 -4.695 23.419 1.0 33.95 ? 674 HOH M O 1 674 . A HETATM 2029 O O . HOH M 4 . ? -11.075 30.007 5.173 1.0 35.32 ? 675 HOH M O 1 675 . A HETATM 2030 O O . HOH M 4 . ? -9.087 34.163 6.458 1.0 35.68 ? 676 HOH M O 1 676 . A HETATM 2031 O O . HOH M 4 . ? -1.084 19.647 35.365 1.0 31.62 ? 677 HOH M O 1 677 . A HETATM 2032 O O . HOH M 4 . ? 0.687 21.453 33.686 1.0 29.72 ? 678 HOH M O 1 678 . A HETATM 2033 O O . HOH M 4 . ? -1.536 22.730 33.937 1.0 32.42 ? 679 HOH M O 1 679 . A HETATM 2034 O O . HOH M 4 . ? -4.433 8.512 10.004 1.0 34.67 ? 680 HOH M O 1 680 . A HETATM 2035 O O . HOH M 4 . ? -6.449 9.008 11.533 1.0 34.44 ? 681 HOH M O 1 681 . A HETATM 2036 O O . HOH M 4 . ? -1.121 3.778 14.292 1.0 31.85 ? 682 HOH M O 1 682 . A HETATM 2037 O O . HOH M 4 . ? -3.624 3.092 11.863 1.0 37.98 ? 683 HOH M O 1 683 . A HETATM 2038 O O . HOH M 4 . ? -5.268 6.257 7.917 1.0 35.6 ? 684 HOH M O 1 684 . A HETATM 2039 O O . HOH M 4 . ? 1.462 6.801 11.807 1.0 34.91 ? 685 HOH M O 1 685 . A HETATM 2040 O O . HOH M 4 . ? 1.936 9.459 11.919 1.0 24.49 ? 686 HOH M O 1 686 . A HETATM 2041 O O . HOH M 4 . ? 1.051 9.143 9.441 1.0 30.55 ? 687 HOH M O 1 687 . A HETATM 2042 O O . HOH M 4 . ? -16.132 14.553 15.702 1.0 36.47 ? 688 HOH M O 1 688 . A HETATM 2043 O O . HOH M 4 . ? -14.631 12.590 14.448 1.0 33.45 ? 689 HOH M O 1 689 . A HETATM 2044 O O . HOH M 4 . ? -15.175 12.705 12.212 1.0 36.63 ? 690 HOH M O 1 690 . A HETATM 2045 O O . HOH M 4 . ? -20.112 12.004 15.228 1.0 34.23 ? 691 HOH M O 1 691 . A HETATM 2046 O O . HOH M 4 . ? -17.156 7.566 10.733 1.0 36.23 ? 692 HOH M O 1 692 . A HETATM 2047 O O . HOH M 4 . ? -14.337 5.904 9.942 1.0 38.48 ? 693 HOH M O 1 693 . A HETATM 2048 O O . HOH M 4 . ? -12.976 5.386 12.060 1.0 35.1 ? 694 HOH M O 1 694 . A HETATM 2049 O O . HOH M 4 . ? -13.998 12.022 10.305 1.0 35.52 ? 695 HOH M O 1 695 . A HETATM 2050 O O . HOH M 4 . ? -12.779 9.819 11.398 1.0 39.27 ? 696 HOH M O 1 696 . A HETATM 2051 O O . HOH M 4 . ? -12.404 8.997 8.988 1.0 34.54 ? 697 HOH M O 1 697 . A HETATM 2052 O O . HOH M 4 . ? -14.800 8.523 8.054 1.0 35.05 ? 698 HOH M O 1 698 . A HETATM 2053 O O . HOH M 4 . ? -16.600 10.256 8.397 1.0 36.38 ? 699 HOH M O 1 699 . A HETATM 2054 O O . HOH M 4 . ? -18.498 10.072 6.947 1.0 34.89 ? 700 HOH M O 1 700 . A HETATM 2055 O O . HOH M 4 . ? -3.197 -1.702 23.941 1.0 35.31 ? 701 HOH M O 1 701 . A HETATM 2056 O O . HOH M 4 . ? -4.412 0.552 23.843 1.0 32.72 ? 702 HOH M O 1 702 . A HETATM 2057 O O . HOH M 4 . ? -1.480 1.448 31.347 1.0 32.39 ? 703 HOH M O 1 703 . A HETATM 2058 O O . HOH M 4 . ? 1.835 3.795 22.700 1.0 20.88 ? 704 HOH M O 1 704 . A HETATM 2059 O O . HOH M 4 . ? 2.839 15.457 42.123 1.0 34.57 ? 705 HOH M O 1 705 . A HETATM 2060 O O . HOH M 4 . ? 22.752 7.085 14.685 1.0 28.88 ? 706 HOH M O 1 706 . A HETATM 2061 O O . HOH M 4 . ? 22.011 9.871 11.674 1.0 29.53 ? 707 HOH M O 1 707 . A HETATM 2062 O O . HOH M 4 . ? 18.304 9.776 6.920 1.0 30.48 ? 708 HOH M O 1 708 . A HETATM 2063 O O . HOH M 4 . ? 6.264 35.979 16.938 1.0 31.8 ? 709 HOH M O 1 709 . A HETATM 2064 O O . HOH M 4 . ? 2.106 -1.066 19.532 1.0 33.19 ? 710 HOH M O 1 710 . A HETATM 2065 O O . HOH M 4 . ? 19.838 22.010 5.945 1.0 27.44 ? 711 HOH M O 1 711 . A HETATM 2066 O O . HOH M 4 . ? 18.749 22.984 8.678 1.0 31.31 ? 712 HOH M O 1 712 . A HETATM 2067 O O . HOH M 4 . ? -1.101 9.585 36.213 1.0 34.66 ? 713 HOH M O 1 713 . A HETATM 2068 O O . HOH M 4 . ? -0.531 9.082 39.073 1.0 34.25 ? 714 HOH M O 1 714 . A HETATM 2069 O O . HOH M 4 . ? -5.445 12.626 40.937 1.0 37.54 ? 715 HOH M O 1 715 . A HETATM 2070 O O . HOH M 4 . ? -0.179 17.764 38.664 1.0 32.76 ? 716 HOH M O 1 716 . A HETATM 2071 O O . HOH M 4 . ? -11.408 21.740 33.051 1.0 38.87 ? 717 HOH M O 1 717 . A HETATM 2072 O O . HOH M 4 . ? -12.933 21.414 35.665 1.0 36.64 ? 718 HOH M O 1 718 . A HETATM 2073 O O . HOH M 4 . ? 34.092 15.180 35.632 1.0 37.39 ? 719 HOH M O 1 719 . A HETATM 2074 O O . HOH M 4 . ? -14.136 22.014 28.540 1.0 35.75 ? 720 HOH M O 1 720 . A HETATM 2075 O O . HOH M 4 . ? -14.838 25.902 32.095 1.0 37.87 ? 721 HOH M O 1 721 . A HETATM 2076 O O . HOH M 4 . ? -10.945 24.836 33.792 1.0 35.79 ? 722 HOH M O 1 722 . A HETATM 2077 O O . HOH M 4 . ? -12.519 24.452 31.479 1.0 35.3 ? 723 HOH M O 1 723 . A HETATM 2078 O O . HOH M 4 . ? -14.507 24.003 30.051 1.0 37.0 ? 724 HOH M O 1 724 . A HETATM 2079 O O . HOH M 4 . ? -16.462 23.713 32.450 1.0 34.19 ? 725 HOH M O 1 725 . A HETATM 2080 O O . HOH M 4 . ? -18.023 24.324 30.238 1.0 37.3 ? 726 HOH M O 1 726 . A HETATM 2081 O O . HOH M 4 . ? -16.487 20.821 30.027 1.0 37.13 ? 727 HOH M O 1 727 . A HETATM 2082 O O . HOH M 4 . ? -23.063 28.336 24.240 1.0 34.23 ? 728 HOH M O 1 728 . A HETATM 2083 O O . HOH M 4 . ? -25.513 29.419 25.680 1.0 35.72 ? 729 HOH M O 1 729 . A HETATM 2084 O O . HOH M 4 . ? -21.021 24.264 27.878 1.0 35.07 ? 730 HOH M O 1 730 . A HETATM 2085 O O . HOH M 4 . ? -23.792 25.306 31.247 1.0 35.55 ? 731 HOH M O 1 731 . A HETATM 2086 O O . HOH M 4 . ? 21.847 22.495 37.104 1.0 34.24 ? 732 HOH M O 1 732 . A HETATM 2087 O O . HOH M 4 . ? 19.981 24.756 35.853 1.0 36.38 ? 733 HOH M O 1 733 . A HETATM 2088 O O . HOH M 4 . ? 25.626 11.891 6.175 1.0 35.51 ? 734 HOH M O 1 734 . A HETATM 2089 O O . HOH M 4 . ? 23.398 12.395 9.876 1.0 33.92 ? 735 HOH M O 1 735 . A HETATM 2090 O O . HOH M 4 . ? 22.290 25.980 -0.558 1.0 35.77 ? 736 HOH M O 1 736 . A HETATM 2091 O O . HOH M 4 . ? 25.634 25.601 -0.022 0.5 31.07 ? 737 HOH M O 1 737 . A HETATM 2092 O O . HOH M 4 . ? 23.191 21.145 3.228 1.0 32.11 ? 739 HOH M O 1 739 . A HETATM 2093 O O . HOH M 4 . ? 17.602 16.626 0.822 1.0 27.79 ? 740 HOH M O 1 740 . A HETATM 2094 O O . HOH M 4 . ? -0.872 28.948 5.035 1.0 26.13 ? 741 HOH M O 1 741 . A HETATM 2095 O O . HOH M 4 . ? -3.116 33.937 24.654 1.0 35.21 ? 742 HOH M O 1 742 . A HETATM 2096 O O . HOH M 4 . ? 27.850 19.070 38.990 1.0 33.16 ? 743 HOH M O 1 743 . A HETATM 2097 O O . HOH M 4 . ? 9.401 1.469 1.480 1.0 32.77 ? 744 HOH M O 1 744 . A HETATM 2098 O O . HOH M 4 . ? 7.480 2.941 1.348 1.0 37.02 ? 745 HOH M O 1 745 . A HETATM 2099 O O . HOH M 4 . ? 6.807 1.945 -0.779 1.0 39.37 ? 746 HOH M O 1 746 . A HETATM 2100 O O . HOH M 4 . ? 6.554 5.128 0.191 1.0 31.82 ? 747 HOH M O 1 747 . A HETATM 2101 O O . HOH M 4 . ? 13.131 -0.536 2.380 1.0 37.1 ? 748 HOH M O 1 748 . A HETATM 2102 O O . HOH M 4 . ? 11.034 -0.339 3.523 1.0 35.83 ? 749 HOH M O 1 749 . A HETATM 2103 O O . HOH M 4 . ? 3.048 11.533 -0.568 1.0 30.29 ? 750 HOH M O 1 750 . A HETATM 2104 O O . HOH M 4 . ? -8.959 -5.852 14.216 1.0 34.31 ? 751 HOH M O 1 751 . A HETATM 2105 O O . HOH M 4 . ? 16.006 3.884 42.686 1.0 36.45 ? 752 HOH M O 1 752 . A HETATM 2106 O O . HOH M 4 . ? 22.662 4.575 43.510 1.0 38.79 ? 753 HOH M O 1 753 . A HETATM 2107 O O . HOH M 4 . ? 12.978 24.229 -2.063 1.0 35.8 ? 754 HOH M O 1 754 . A HETATM 2108 O O . HOH M 4 . ? 13.483 20.489 -1.059 1.0 35.62 ? 755 HOH M O 1 755 . A HETATM 2109 O O . HOH N 4 . ? 6.254 8.179 5.992 1.0 19.65 ? 413 HOH N O 1 413 . B HETATM 2110 O O . HOH N 4 . ? 4.224 9.482 8.236 1.0 17.56 ? 414 HOH N O 1 414 . B HETATM 2111 O O . HOH N 4 . ? 11.685 12.269 5.784 1.0 9.53 ? 495 HOH N O 1 495 . B HETATM 2112 O O . HOH N 4 . ? 1.953 9.330 6.904 1.0 36.24 ? 511 HOH N O 1 511 . B #