data_1kug-assembly-2_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 ? -5.117 37.400 14.327 1.0 24.85 ? 3 GLN A N 1 3 . A ATOM 2 C CA . GLN A 1 3 ? -4.630 35.987 14.445 1.0 23.16 ? 3 GLN A CA 1 3 . A ATOM 3 C C . GLN A 1 3 ? -5.692 35.066 13.850 1.0 21.6 ? 3 GLN A C 1 3 . A ATOM 4 O O . GLN A 1 3 ? -6.877 35.140 14.204 1.0 22.03 ? 3 GLN A O 1 3 . A ATOM 5 C CB . GLN A 1 3 ? -4.395 35.613 15.919 1.0 25.04 ? 3 GLN A CB 1 3 . A ATOM 6 C CG . GLN A 1 3 ? -3.618 34.324 16.133 1.0 27.62 ? 3 GLN A CG 1 3 . A ATOM 7 C CD . GLN A 1 3 ? -2.107 34.541 16.237 1.0 28.62 ? 3 GLN A CD 1 3 . A ATOM 8 O OE1 . GLN A 1 3 ? -1.314 33.948 15.487 1.0 29.88 ? 3 GLN A OE1 1 3 . A ATOM 9 N NE2 . GLN A 1 3 ? -1.702 35.385 17.179 1.0 29.15 ? 3 GLN A NE2 1 3 . A ATOM 10 N N . ARG A 1 4 ? -5.264 34.184 12.957 1.0 18.38 ? 4 ARG A N 1 4 . A ATOM 11 C CA . ARG A 1 4 ? -6.183 33.257 12.323 1.0 15.7 ? 4 ARG A CA 1 4 . A ATOM 12 C C . ARG A 1 4 ? -6.746 32.194 13.260 1.0 14.39 ? 4 ARG A C 1 4 . A ATOM 13 O O . ARG A 1 4 ? -7.892 31.769 13.114 1.0 15.1 ? 4 ARG A O 1 4 . A ATOM 14 C CB . ARG A 1 4 ? -5.490 32.592 11.142 1.0 14.42 ? 4 ARG A CB 1 4 . A ATOM 15 C CG . ARG A 1 4 ? -6.236 31.402 10.586 1.0 14.5 ? 4 ARG A CG 1 4 . A ATOM 16 C CD . ARG A 1 4 ? -5.589 30.875 9.330 1.0 14.24 ? 4 ARG A CD 1 4 . A ATOM 17 N NE . ARG A 1 4 ? -6.325 29.702 8.863 1.0 14.75 ? 4 ARG A NE 1 4 . A ATOM 18 C CZ . ARG A 1 4 ? -6.030 29.002 7.777 1.0 13.75 ? 4 ARG A CZ 1 4 . A ATOM 19 N NH1 . ARG A 1 4 ? -5.006 29.362 7.007 1.0 15.06 ? 4 ARG A NH1 1 4 . A ATOM 20 N NH2 . ARG A 1 4 ? -6.730 27.902 7.505 1.0 14.42 ? 4 ARG A NH2 1 4 . A ATOM 21 N N . PHE A 1 5 ? -5.956 31.764 14.242 1.0 11.86 ? 5 PHE A N 1 5 . A ATOM 22 C CA . PHE A 1 5 ? -6.384 30.730 15.165 1.0 11.14 ? 5 PHE A CA 1 5 . A ATOM 23 C C . PHE A 1 5 ? -6.542 31.211 16.594 1.0 10.7 ? 5 PHE A C 1 5 . A ATOM 24 O O . PHE A 1 5 ? -5.840 32.101 17.022 1.0 10.62 ? 5 PHE A O 1 5 . A ATOM 25 C CB . PHE A 1 5 ? -5.346 29.578 15.149 1.0 9.79 ? 5 PHE A CB 1 5 . A ATOM 26 C CG . PHE A 1 5 ? -5.255 28.878 13.827 1.0 8.4 ? 5 PHE A CG 1 5 . A ATOM 27 C CD1 . PHE A 1 5 ? -4.181 29.088 12.974 1.0 9.21 ? 5 PHE A CD1 1 5 . A ATOM 28 C CD2 . PHE A 1 5 ? -6.281 28.044 13.418 1.0 8.88 ? 5 PHE A CD2 1 5 . A ATOM 29 C CE1 . PHE A 1 5 ? -4.130 28.472 11.731 1.0 8.69 ? 5 PHE A CE1 1 5 . A ATOM 30 C CE2 . PHE A 1 5 ? -6.231 27.433 12.187 1.0 9.07 ? 5 PHE A CE2 1 5 . A ATOM 31 C CZ . PHE A 1 5 ? -5.147 27.654 11.350 1.0 8.86 ? 5 PHE A CZ 1 5 . A ATOM 32 N N . PRO A 1 6 ? -7.464 30.602 17.345 1.0 11.9 ? 6 PRO A N 1 6 . A ATOM 33 C CA . PRO A 1 6 ? -7.710 30.948 18.750 1.0 12.23 ? 6 PRO A CA 1 6 . A ATOM 34 C C . PRO A 1 6 ? -6.513 30.420 19.566 1.0 12.04 ? 6 PRO A C 1 6 . A ATOM 35 O O . PRO A 1 6 ? -5.823 29.484 19.137 1.0 12.46 ? 6 PRO A O 1 6 . A ATOM 36 C CB . PRO A 1 6 ? -9.004 30.213 19.063 1.0 12.4 ? 6 PRO A CB 1 6 . A ATOM 37 C CG . PRO A 1 6 ? -8.872 28.979 18.228 1.0 12.36 ? 6 PRO A CG 1 6 . A ATOM 38 C CD . PRO A 1 6 ? -8.359 29.516 16.911 1.0 12.08 ? 6 PRO A CD 1 6 . A ATOM 39 N N . GLN A 1 7 ? -6.256 31.015 20.719 1.0 10.79 ? 7 GLN A N 1 7 . A ATOM 40 C CA . GLN A 1 7 ? -5.119 30.628 21.558 1.0 9.76 ? 7 GLN A CA 1 7 . A ATOM 41 C C . GLN A 1 7 ? -5.206 29.196 22.050 1.0 9.22 ? 7 GLN A C 1 7 . A ATOM 42 O O . GLN A 1 7 ? -6.264 28.739 22.509 1.0 9.6 ? 7 GLN A O 1 7 . A ATOM 43 C CB . GLN A 1 7 ? -5.066 31.531 22.799 1.0 10.05 ? 7 GLN A CB 1 7 . A ATOM 44 C CG . GLN A 1 7 ? -3.868 31.249 23.702 1.0 12.43 ? 7 GLN A CG 1 7 . A ATOM 45 C CD . GLN A 1 7 ? -2.577 31.763 23.093 1.0 13.15 ? 7 GLN A CD 1 7 . A ATOM 46 O OE1 . GLN A 1 7 ? -2.428 32.952 22.843 1.0 14.73 ? 7 GLN A OE1 1 7 . A ATOM 47 N NE2 . GLN A 1 7 ? -1.638 30.863 22.832 1.0 13.01 ? 7 GLN A NE2 1 7 . A ATOM 48 N N . ARG A 1 8 ? -4.088 28.478 21.908 1.0 7.83 ? 8 ARG A N 1 8 . A ATOM 49 C CA . ARG A 1 8 ? -3.996 27.130 22.471 1.0 7.8 ? 8 ARG A CA 1 8 . A ATOM 50 C C . ARG A 1 8 ? -2.637 27.041 23.157 1.0 7.16 ? 8 ARG A C 1 8 . A ATOM 51 O O . ARG A 1 8 ? -1.764 27.911 23.001 1.0 7.39 ? 8 ARG A O 1 8 . A ATOM 52 C CB . ARG A 1 8 ? -4.157 26.034 21.409 1.0 9.11 ? 8 ARG A CB 1 8 . A ATOM 53 C CG . ARG A 1 8 ? -5.551 25.972 20.816 1.0 9.07 ? 8 ARG A CG 1 8 . A ATOM 54 C CD . ARG A 1 8 ? -6.525 25.406 21.827 1.0 9.62 ? 8 ARG A CD 1 8 . A ATOM 55 N NE . ARG A 1 8 ? -7.856 25.106 21.274 1.0 10.97 ? 8 ARG A NE 1 8 . A ATOM 56 C CZ . ARG A 1 8 ? -8.820 25.998 21.071 1.0 11.7 ? 8 ARG A CZ 1 8 . A ATOM 57 N NH1 . ARG A 1 8 ? -9.983 25.584 20.585 1.0 13.09 ? 8 ARG A NH1 1 8 . A ATOM 58 N NH2 . ARG A 1 8 ? -8.628 27.280 21.350 1.0 13.45 ? 8 ARG A NH2 1 8 . A ATOM 59 N N . TYR A 1 9 ? -2.455 25.961 23.882 1.0 7.65 ? 9 TYR A N 1 9 . A ATOM 60 C CA . TYR A 1 9 ? -1.238 25.738 24.640 1.0 7.86 ? 9 TYR A CA 1 9 . A ATOM 61 C C . TYR A 1 9 ? -0.834 24.279 24.569 1.0 9.14 ? 9 TYR A C 1 9 . A ATOM 62 O O . TYR A 1 9 ? -1.686 23.409 24.701 1.0 11.8 ? 9 TYR A O 1 9 . A ATOM 63 C CB . TYR A 1 9 ? -1.445 26.062 26.117 1.0 9.89 ? 9 TYR A CB 1 9 . A ATOM 64 C CG . TYR A 1 9 ? -2.058 27.407 26.375 1.0 9.51 ? 9 TYR A CG 1 9 . A ATOM 65 C CD1 . TYR A 1 9 ? -3.438 27.573 26.337 1.0 11.11 ? 9 TYR A CD1 1 9 . A ATOM 66 C CD2 . TYR A 1 9 ? -1.258 28.512 26.646 1.0 10.66 ? 9 TYR A CD2 1 9 . A ATOM 67 C CE1 . TYR A 1 9 ? -4.015 28.823 26.569 1.0 11.29 ? 9 TYR A CE1 1 9 . A ATOM 68 C CE2 . TYR A 1 9 ? -1.830 29.768 26.881 1.0 11.15 ? 9 TYR A CE2 1 9 . A ATOM 69 C CZ . TYR A 1 9 ? -3.200 29.897 26.841 1.0 12.11 ? 9 TYR A CZ 1 9 . A ATOM 70 O OH . TYR A 1 9 ? -3.762 31.115 27.135 1.0 14.84 ? 9 TYR A OH 1 9 . A ATOM 71 N N . ILE A 1 10 ? 0.442 24.002 24.367 1.0 8.13 ? 10 ILE A N 1 10 . A ATOM 72 C CA . ILE A 1 10 ? 0.880 22.606 24.426 1.0 7.96 ? 10 ILE A CA 1 10 . A ATOM 73 C C . ILE A 1 10 ? 2.018 22.524 25.430 1.0 7.54 ? 10 ILE A C 1 10 . A ATOM 74 O O . ILE A 1 10 ? 3.069 23.147 25.255 1.0 7.64 ? 10 ILE A O 1 10 . A ATOM 75 C CB . ILE A 1 10 ? 1.350 22.040 23.061 1.0 7.74 ? 10 ILE A CB 1 10 . A ATOM 76 C CG1 . ILE A 1 10 ? 0.160 21.963 22.083 1.0 9.61 ? 10 ILE A CG1 1 10 . A ATOM 77 C CG2 . ILE A 1 10 ? 1.979 20.654 23.265 1.0 8.57 ? 10 ILE A CG2 1 10 . A ATOM 78 C CD1 . ILE A 1 10 ? 0.531 21.602 20.657 1.0 9.54 ? 10 ILE A CD1 1 10 . A ATOM 79 N N . GLU A 1 11 ? 1.769 21.786 26.503 1.0 7.35 ? 11 GLU A N 1 11 . A ATOM 80 C CA . GLU A 1 11 ? 2.755 21.565 27.557 1.0 8.07 ? 11 GLU A CA 1 11 . A ATOM 81 C C . GLU A 1 11 ? 3.493 20.286 27.217 1.0 7.11 ? 11 GLU A C 1 11 . A ATOM 82 O O . GLU A 1 11 ? 2.939 19.182 27.312 1.0 7.7 ? 11 GLU A O 1 11 . A ATOM 83 C CB . GLU A 1 11 ? 2.076 21.440 28.905 1.0 12.08 ? 11 GLU A CB 1 11 . A ATOM 84 C CG . GLU A 1 11 ? 1.719 22.777 29.461 1.0 18.78 ? 11 GLU A CG 1 11 . A ATOM 85 C CD . GLU A 1 11 ? 0.307 23.137 29.204 1.0 21.67 ? 11 GLU A CD 1 11 . A ATOM 86 O OE1 . GLU A 1 11 ? 0.019 23.770 28.160 1.0 25.55 ? 11 GLU A OE1 1 11 . A ATOM 87 O OE2 . GLU A 1 11 ? -0.524 22.773 30.062 1.0 23.76 ? 11 GLU A OE2 1 11 . A ATOM 88 N N . LEU A 1 12 ? 4.742 20.436 26.810 1.0 6.19 ? 12 LEU A N 1 12 . A ATOM 89 C CA . LEU A 1 12 ? 5.529 19.308 26.347 1.0 5.84 ? 12 LEU A CA 1 12 . A ATOM 90 C C . LEU A 1 12 ? 6.369 18.616 27.355 1.0 5.91 ? 12 LEU A C 1 12 . A ATOM 91 O O . LEU A 1 12 ? 6.912 19.246 28.266 1.0 8.08 ? 12 LEU A O 1 12 . A ATOM 92 C CB . LEU A 1 12 ? 6.529 19.771 25.283 1.0 8.01 ? 12 LEU A CB 1 12 . A ATOM 93 C CG . LEU A 1 12 ? 6.132 20.270 23.928 1.0 9.53 ? 12 LEU A CG 1 12 . A ATOM 94 C CD1 . LEU A 1 12 ? 7.406 20.679 23.202 1.0 9.92 ? 12 LEU A CD1 1 12 . A ATOM 95 C CD2 . LEU A 1 12 ? 5.467 19.151 23.162 1.0 10.11 ? 12 LEU A CD2 1 12 . A ATOM 96 N N . ALA A 1 13 ? 6.450 17.301 27.250 1.0 5.43 ? 13 ALA A N 1 13 . A ATOM 97 C CA . ALA A 1 13 ? 7.453 16.558 28.000 1.0 5.13 ? 13 ALA A CA 1 13 . A ATOM 98 C C . ALA A 1 13 ? 8.439 16.036 26.945 1.0 5.1 ? 13 ALA A C 1 13 . A ATOM 99 O O . ALA A 1 13 ? 8.042 15.582 25.855 1.0 6.52 ? 13 ALA A O 1 13 . A ATOM 100 C CB . ALA A 1 13 ? 6.858 15.390 28.762 1.0 6.77 ? 13 ALA A CB 1 13 . A ATOM 101 N N . ILE A 1 14 ? 9.721 16.163 27.234 1.0 5.38 ? 14 ILE A N 1 14 . A ATOM 102 C CA . ILE A 1 14 ? 10.762 15.630 26.350 1.0 6.35 ? 14 ILE A CA 1 14 . A ATOM 103 C C . ILE A 1 14 ? 11.536 14.627 27.172 1.0 6.7 ? 14 ILE A C 1 14 . A ATOM 104 O O . ILE A 1 14 ? 11.952 14.918 28.306 1.0 6.57 ? 14 ILE A O 1 14 . A ATOM 105 C CB . ILE A 1 14 ? 11.741 16.742 25.859 1.0 7.15 ? 14 ILE A CB 1 14 . A ATOM 106 C CG1 . ILE A 1 14 ? 11.005 17.801 25.012 1.0 7.95 ? 14 ILE A CG1 1 14 . A ATOM 107 C CG2 . ILE A 1 14 ? 12.883 16.075 25.093 1.0 8.23 ? 14 ILE A CG2 1 14 . A ATOM 108 C CD1 . ILE A 1 14 ? 10.254 17.264 23.803 1.0 10.84 ? 14 ILE A CD1 1 14 . A ATOM 109 N N . VAL A 1 15 ? 11.715 13.435 26.615 1.0 6.18 ? 15 VAL A N 1 15 . A ATOM 110 C CA . VAL A 1 15 ? 12.463 12.366 27.268 1.0 6.42 ? 15 VAL A CA 1 15 . A ATOM 111 C C . VAL A 1 15 ? 13.704 12.098 26.439 1.0 5.89 ? 15 VAL A C 1 15 . A ATOM 112 O O . VAL A 1 15 ? 13.579 11.918 25.215 1.0 7.24 ? 15 VAL A O 1 15 . A ATOM 113 C CB . VAL A 1 15 ? 11.581 11.095 27.367 1.0 7.2 ? 15 VAL A CB 1 15 . A ATOM 114 C CG1 . VAL A 1 15 ? 12.372 9.975 28.039 1.0 8.71 ? 15 VAL A CG1 1 15 . A ATOM 115 C CG2 . VAL A 1 15 ? 10.265 11.427 28.086 1.0 8.72 ? 15 VAL A CG2 1 15 . A ATOM 116 N N . VAL A 1 16 ? 14.880 12.094 27.066 1.0 6.23 ? 16 VAL A N 1 16 . A ATOM 117 C CA . VAL A 1 16 ? 16.140 11.873 26.344 1.0 6.58 ? 16 VAL A CA 1 16 . A ATOM 118 C C . VAL A 1 16 ? 16.581 10.490 26.756 1.0 6.07 ? 16 VAL A C 1 16 . A ATOM 119 O O . VAL A 1 16 ? 16.759 10.229 27.949 1.0 7.46 ? 16 VAL A O 1 16 . A ATOM 120 C CB . VAL A 1 16 ? 17.183 12.945 26.732 1.0 5.81 ? 16 VAL A CB 1 16 . A ATOM 121 C CG1 . VAL A 1 16 ? 18.557 12.617 26.108 1.0 8.41 ? 16 VAL A CG1 1 16 . A ATOM 122 C CG2 . VAL A 1 16 ? 16.700 14.322 26.268 1.0 8.05 ? 16 VAL A CG2 1 16 . A ATOM 123 N N . ASP A 1 17 ? 16.740 9.596 25.790 1.0 6.26 ? 17 ASP A N 1 17 . A ATOM 124 C CA . ASP A 1 17 ? 17.083 8.227 26.160 1.0 7.84 ? 17 ASP A CA 1 17 . A ATOM 125 C C . ASP A 1 17 ? 18.548 8.048 26.532 1.0 7.43 ? 17 ASP A C 1 17 . A ATOM 126 O O . ASP A 1 17 ? 19.346 8.968 26.432 1.0 7.55 ? 17 ASP A O 1 17 . A ATOM 127 C CB . ASP A 1 17 ? 16.585 7.258 25.068 1.0 7.39 ? 17 ASP A CB 1 17 . A ATOM 128 C CG . ASP A 1 17 ? 17.502 7.149 23.867 1.0 6.85 ? 17 ASP A CG 1 17 . A ATOM 129 O OD1 . ASP A 1 17 ? 17.205 6.254 23.079 1.0 8.57 ? 17 ASP A OD1 1 17 . A ATOM 130 O OD2 . ASP A 1 17 ? 18.448 7.915 23.704 1.0 8.41 ? 17 ASP A OD2 1 17 . A ATOM 131 N N . HIS A 1 18 ? 18.898 6.846 26.994 1.0 8.39 ? 18 HIS A N 1 18 . A ATOM 132 C CA . HIS A 1 18 ? 20.248 6.615 27.446 1.0 9.17 ? 18 HIS A CA 1 18 . A ATOM 133 C C . HIS A 1 18 ? 21.311 6.718 26.362 1.0 8.82 ? 18 HIS A C 1 18 . A ATOM 134 O O . HIS A 1 18 ? 22.407 7.199 26.636 1.0 10.13 ? 18 HIS A O 1 18 . A ATOM 135 C CB . HIS A 1 18 ? 20.322 5.271 28.174 1.0 11.22 ? 18 HIS A CB 1 18 . A ATOM 136 C CG . HIS A 1 18 ? 21.581 5.104 28.968 1.0 14.01 ? 18 HIS A CG 1 18 . A ATOM 137 N ND1 . HIS A 1 18 ? 21.856 5.869 30.084 1.0 15.48 ? 18 HIS A ND1 1 18 . A ATOM 138 C CD2 . HIS A 1 18 ? 22.665 4.314 28.774 1.0 15.64 ? 18 HIS A CD2 1 18 . A ATOM 139 C CE1 . HIS A 1 18 ? 23.060 5.559 30.537 1.0 16.68 ? 18 HIS A CE1 1 18 . A ATOM 140 N NE2 . HIS A 1 18 ? 23.572 4.621 29.761 1.0 15.9 ? 18 HIS A NE2 1 18 . A ATOM 141 N N . GLY A 1 19 ? 20.971 6.345 25.133 1.0 8.87 ? 19 GLY A N 1 19 . A ATOM 142 C CA . GLY A 1 19 ? 21.953 6.444 24.061 1.0 9.49 ? 19 GLY A CA 1 19 . A ATOM 143 C C . GLY A 1 19 ? 22.249 7.913 23.769 1.0 9.7 ? 19 GLY A C 1 19 . A ATOM 144 O O . GLY A 1 19 ? 23.393 8.298 23.515 1.0 9.8 ? 19 GLY A O 1 19 . A ATOM 145 N N . MET A 1 20 ? 21.225 8.758 23.823 1.0 9.74 ? 20 MET A N 1 20 . A ATOM 146 C CA . MET A 1 20 ? 21.493 10.172 23.549 1.0 10.42 ? 20 MET A CA 1 20 . A ATOM 147 C C . MET A 1 20 ? 22.288 10.764 24.728 1.0 10.42 ? 20 MET A C 1 20 . A ATOM 148 O O . MET A 1 20 ? 23.171 11.587 24.526 1.0 10.16 ? 20 MET A O 1 20 . A ATOM 149 C CB . MET A 1 20 ? 20.177 10.931 23.266 1.0 11.57 ? 20 MET A CB 1 20 . A ATOM 150 C CG . MET A 1 20 ? 20.391 12.425 22.976 1.0 13.31 ? 20 MET A CG 1 20 . A ATOM 151 S SD . MET A 1 20 ? 18.892 13.158 22.256 1.0 14.59 ? 20 MET A SD 1 20 . A ATOM 152 C CE . MET A 1 20 ? 19.379 14.944 22.212 1.0 16.85 ? 20 MET A CE 1 20 . A ATOM 153 N N . TYR A 1 21 ? 21.986 10.324 25.949 1.0 10.9 ? 21 TYR A N 1 21 . A ATOM 154 C CA . TYR A 1 21 ? 22.714 10.797 27.127 1.0 11.75 ? 21 TYR A CA 1 21 . A ATOM 155 C C . TYR A 1 21 ? 24.218 10.513 26.928 1.0 12.15 ? 21 TYR A C 1 21 . A ATOM 156 O O . TYR A 1 21 ? 25.040 11.395 27.129 1.0 13.46 ? 21 TYR A O 1 21 . A ATOM 157 C CB . TYR A 1 21 ? 22.202 10.072 28.379 1.0 12.72 ? 21 TYR A CB 1 21 . A ATOM 158 C CG . TYR A 1 21 ? 22.950 10.386 29.663 1.0 14.98 ? 21 TYR A CG 1 21 . A ATOM 159 C CD1 . TYR A 1 21 ? 22.828 11.620 30.259 1.0 15.91 ? 21 TYR A CD1 1 21 . A ATOM 160 C CD2 . TYR A 1 21 ? 23.748 9.424 30.281 1.0 16.93 ? 21 TYR A CD2 1 21 . A ATOM 161 C CE1 . TYR A 1 21 ? 23.465 11.905 31.446 1.0 17.25 ? 21 TYR A CE1 1 21 . A ATOM 162 C CE2 . TYR A 1 21 ? 24.392 9.696 31.472 1.0 17.14 ? 21 TYR A CE2 1 21 . A ATOM 163 C CZ . TYR A 1 21 ? 24.240 10.938 32.053 1.0 18.27 ? 21 TYR A CZ 1 21 . A ATOM 164 O OH . TYR A 1 21 ? 24.796 11.226 33.294 1.0 20.93 ? 21 TYR A OH 1 21 . A ATOM 165 N N . THR A 1 22 ? 24.543 9.297 26.499 1.0 12.03 ? 22 THR A N 1 22 . A ATOM 166 C CA . THR A 1 22 ? 25.927 8.868 26.274 1.0 13.31 ? 22 THR A CA 1 22 . A ATOM 167 C C . THR A 1 22 ? 26.565 9.638 25.118 1.0 12.55 ? 22 THR A C 1 22 . A ATOM 168 O O . THR A 1 22 ? 27.748 10.015 25.170 1.0 12.33 ? 22 THR A O 1 22 . A ATOM 169 C CB . THR A 1 22 ? 25.962 7.349 25.996 1.0 14.07 ? 22 THR A CB 1 22 . A ATOM 170 O OG1 . THR A 1 22 ? 25.383 6.673 27.122 1.0 16.66 ? 22 THR A OG1 1 22 . A ATOM 171 C CG2 . THR A 1 22 ? 27.411 6.860 25.797 1.0 15.97 ? 22 THR A CG2 1 22 . A ATOM 172 N N . LYS A 1 23 ? 25.787 9.887 24.070 1.0 12.03 ? 23 LYS A N 1 23 . A ATOM 173 C CA . LYS A 1 23 ? 26.262 10.633 22.902 1.0 12.21 ? 23 LYS A CA 1 23 . A ATOM 174 C C . LYS A 1 23 ? 26.744 12.034 23.304 1.0 12.44 ? 23 LYS A C 1 23 . A ATOM 175 O O . LYS A 1 23 ? 27.723 12.545 22.757 1.0 12.72 ? 23 LYS A O 1 23 . A ATOM 176 C CB . LYS A 1 23 ? 25.124 10.762 21.868 1.0 11.07 ? 23 LYS A CB 1 23 . A ATOM 177 C CG . LYS A 1 23 ? 25.391 11.713 20.703 1.0 10.06 ? 23 LYS A CG 1 23 . A ATOM 178 C CD . LYS A 1 23 ? 24.239 11.634 19.674 1.0 10.53 ? 23 LYS A CD 1 23 . A ATOM 179 C CE . LYS A 1 23 ? 24.442 12.622 18.554 1.0 10.6 ? 23 LYS A CE 1 23 . A ATOM 180 N NZ . LYS A 1 23 ? 23.232 12.643 17.632 1.0 11.21 ? 23 LYS A NZ 1 23 . A ATOM 181 N N . TYR A 1 24 ? 26.037 12.652 24.247 1.0 12.64 ? 24 TYR A N 1 24 . A ATOM 182 C CA . TYR A 1 24 ? 26.394 13.998 24.686 1.0 13.8 ? 24 TYR A CA 1 24 . A ATOM 183 C C . TYR A 1 24 ? 27.256 13.983 25.931 1.0 15.01 ? 24 TYR A C 1 24 . A ATOM 184 O O . TYR A 1 24 ? 27.081 14.794 26.856 1.0 15.35 ? 24 TYR A O 1 24 . A ATOM 185 C CB . TYR A 1 24 ? 25.115 14.832 24.893 1.0 14.08 ? 24 TYR A CB 1 24 . A ATOM 186 C CG . TYR A 1 24 ? 24.520 15.239 23.562 1.0 13.19 ? 24 TYR A CG 1 24 . A ATOM 187 C CD1 . TYR A 1 24 ? 25.036 16.321 22.849 1.0 14.58 ? 24 TYR A CD1 1 24 . A ATOM 188 C CD2 . TYR A 1 24 ? 23.549 14.445 22.937 1.0 12.88 ? 24 TYR A CD2 1 24 . A ATOM 189 C CE1 . TYR A 1 24 ? 24.617 16.596 21.548 1.0 15.15 ? 24 TYR A CE1 1 24 . A ATOM 190 C CE2 . TYR A 1 24 ? 23.121 14.721 21.633 1.0 12.08 ? 24 TYR A CE2 1 24 . A ATOM 191 C CZ . TYR A 1 24 ? 23.656 15.789 20.952 1.0 13.34 ? 24 TYR A CZ 1 24 . A ATOM 192 O OH . TYR A 1 24 ? 23.251 16.097 19.669 1.0 15.06 ? 24 TYR A OH 1 24 . A ATOM 193 N N . SER A 1 25 ? 28.180 13.024 25.968 1.0 15.29 ? 25 SER A N 1 25 . A ATOM 194 C CA . SER A 1 25 ? 29.118 12.895 27.093 1.0 16.67 ? 25 SER A CA 1 25 . A ATOM 195 C C . SER A 1 25 ? 28.532 12.778 28.492 1.0 16.08 ? 25 SER A C 1 25 . A ATOM 196 O O . SER A 1 25 ? 29.154 13.239 29.464 1.0 16.33 ? 25 SER A O 1 25 . A ATOM 197 C CB . SER A 1 25 ? 30.059 14.075 27.078 1.0 17.95 ? 25 SER A CB 1 25 . A ATOM 198 O OG . SER A 1 25 ? 30.621 14.199 25.798 1.0 20.66 ? 25 SER A OG 1 25 . A ATOM 199 N N . SER A 1 26 ? 27.348 12.185 28.607 1.0 15.33 ? 26 SER A N 1 26 . A ATOM 200 C CA . SER A 1 26 ? 26.703 12.019 29.900 1.0 15.51 ? 26 SER A CA 1 26 . A ATOM 201 C C . SER A 1 26 ? 26.654 13.346 30.640 1.0 15.95 ? 26 SER A C 1 26 . A ATOM 202 O O . SER A 1 26 ? 26.721 13.360 31.863 1.0 17.0 ? 26 SER A O 1 26 . A ATOM 203 C CB . SER A 1 26 ? 27.490 10.990 30.726 1.0 15.77 ? 26 SER A CB 1 26 . A ATOM 204 O OG . SER A 1 26 ? 27.590 9.785 29.983 1.0 17.28 ? 26 SER A OG 1 26 . A ATOM 205 N N . ASN A 1 27 ? 26.491 14.445 29.899 1.0 15.33 ? 27 ASN A N 1 27 . A ATOM 206 C CA . ASN A 1 27 ? 26.488 15.799 30.470 1.0 15.88 ? 27 ASN A CA 1 27 . A ATOM 207 C C . ASN A 1 27 ? 25.062 16.362 30.506 1.0 15.39 ? 27 ASN A C 1 27 . A ATOM 208 O O . ASN A 1 27 ? 24.557 16.843 29.495 1.0 14.63 ? 27 ASN A O 1 27 . A ATOM 209 C CB . ASN A 1 27 ? 27.435 16.662 29.607 1.0 16.61 ? 27 ASN A CB 1 27 . A ATOM 210 C CG . ASN A 1 27 ? 27.610 18.095 30.105 1.0 18.69 ? 27 ASN A CG 1 27 . A ATOM 211 O OD1 . ASN A 1 27 ? 28.607 18.756 29.763 1.0 22.08 ? 27 ASN A OD1 1 27 . A ATOM 212 N ND2 . ASN A 1 27 ? 26.665 18.590 30.868 1.0 16.67 ? 27 ASN A ND2 1 27 . A ATOM 213 N N . PHE A 1 28 ? 24.420 16.292 31.665 1.0 15.54 ? 28 PHE A N 1 28 . A ATOM 214 C CA . PHE A 1 28 ? 23.052 16.795 31.810 1.0 15.58 ? 28 PHE A CA 1 28 . A ATOM 215 C C . PHE A 1 28 ? 22.876 18.255 31.386 1.0 16.05 ? 28 PHE A C 1 28 . A ATOM 216 O O . PHE A 1 28 ? 21.932 18.581 30.668 1.0 15.68 ? 28 PHE A O 1 28 . A ATOM 217 C CB . PHE A 1 28 ? 22.564 16.623 33.254 1.0 17.15 ? 28 PHE A CB 1 28 . A ATOM 218 C CG . PHE A 1 28 ? 21.181 17.164 33.487 1.0 17.79 ? 28 PHE A CG 1 28 . A ATOM 219 C CD1 . PHE A 1 28 ? 20.043 16.402 33.182 1.0 18.01 ? 28 PHE A CD1 1 28 . A ATOM 220 C CD2 . PHE A 1 28 ? 21.014 18.470 33.940 1.0 17.89 ? 28 PHE A CD2 1 28 . A ATOM 221 C CE1 . PHE A 1 28 ? 18.743 16.957 33.325 1.0 18.27 ? 28 PHE A CE1 1 28 . A ATOM 222 C CE2 . PHE A 1 28 ? 19.742 19.029 34.084 1.0 18.51 ? 28 PHE A CE2 1 28 . A ATOM 223 C CZ . PHE A 1 28 ? 18.604 18.274 33.775 1.0 18.01 ? 28 PHE A CZ 1 28 . A ATOM 224 N N . LYS A 1 29 ? 23.762 19.138 31.834 1.0 15.97 ? 29 LYS A N 1 29 . A ATOM 225 C CA . LYS A 1 29 ? 23.673 20.560 31.491 1.0 16.81 ? 29 LYS A CA 1 29 . A ATOM 226 C C . LYS A 1 29 ? 23.667 20.772 29.996 1.0 15.38 ? 29 LYS A C 1 29 . A ATOM 227 O O . LYS A 1 29 ? 22.856 21.538 29.487 1.0 13.9 ? 29 LYS A O 1 29 . A ATOM 228 C CB . LYS A 1 29 ? 24.849 21.333 32.093 1.0 18.81 ? 29 LYS A CB 1 29 . A ATOM 229 C CG . LYS A 1 29 ? 24.951 21.199 33.585 1.0 22.39 ? 29 LYS A CG 1 29 . A ATOM 230 C CD . LYS A 1 29 ? 23.735 21.733 34.297 1.0 25.38 ? 29 LYS A CD 1 29 . A ATOM 231 C CE . LYS A 1 29 ? 23.833 21.453 35.802 1.0 26.98 ? 29 LYS A CE 1 29 . A ATOM 232 N NZ . LYS A 1 29 ? 22.646 21.965 36.541 1.0 29.48 ? 29 LYS A NZ 1 29 . A ATOM 233 N N . LYS A 1 30 ? 24.571 20.094 29.290 1.0 14.47 ? 30 LYS A N 1 30 . A ATOM 234 C CA . LYS A 1 30 ? 24.644 20.233 27.841 1.0 13.99 ? 30 LYS A CA 1 30 . A ATOM 235 C C . LYS A 1 30 ? 23.374 19.709 27.167 1.0 11.98 ? 30 LYS A C 1 30 . A ATOM 236 O O . LYS A 1 30 ? 22.896 20.319 26.227 1.0 12.53 ? 30 LYS A O 1 30 . A ATOM 237 C CB . LYS A 1 30 ? 25.861 19.499 27.276 1.0 16.89 ? 30 LYS A CB 1 30 . A ATOM 238 C CG . LYS A 1 30 ? 26.004 19.704 25.780 1.0 19.72 ? 30 LYS A CG 1 30 . A ATOM 239 C CD . LYS A 1 30 ? 27.045 18.792 25.151 1.0 23.78 ? 30 LYS A CD 1 30 . A ATOM 240 C CE . LYS A 1 30 ? 28.432 19.056 25.685 1.0 24.99 ? 30 LYS A CE 1 30 . A ATOM 241 N NZ . LYS A 1 30 ? 29.422 18.174 24.970 1.0 26.89 ? 30 LYS A NZ 1 30 . A ATOM 242 N N . ILE A 1 31 ? 22.849 18.594 27.654 1.0 10.45 ? 31 ILE A N 1 31 . A ATOM 243 C CA . ILE A 1 31 ? 21.621 17.994 27.105 1.0 9.61 ? 31 ILE A CA 1 31 . A ATOM 244 C C . ILE A 1 31 ? 20.442 18.942 27.364 1.0 9.33 ? 31 ILE A C 1 31 . A ATOM 245 O O . ILE A 1 31 ? 19.628 19.205 26.481 1.0 8.3 ? 31 ILE A O 1 31 . A ATOM 246 C CB . ILE A 1 31 ? 21.353 16.642 27.770 1.0 10.39 ? 31 ILE A CB 1 31 . A ATOM 247 C CG1 . ILE A 1 31 ? 22.450 15.657 27.330 1.0 11.29 ? 31 ILE A CG1 1 31 . A ATOM 248 C CG2 . ILE A 1 31 ? 19.972 16.133 27.414 1.0 10.78 ? 31 ILE A CG2 1 31 . A ATOM 249 C CD1 . ILE A 1 31 ? 22.443 14.385 28.068 1.0 13.12 ? 31 ILE A CD1 1 31 . A ATOM 250 N N . ARG A 1 32 ? 20.352 19.486 28.568 1.0 9.28 ? 32 ARG A N 1 32 . A ATOM 251 C CA . ARG A 1 32 ? 19.254 20.417 28.879 1.0 9.87 ? 32 ARG A CA 1 32 . A ATOM 252 C C . ARG A 1 32 ? 19.312 21.641 27.959 1.0 9.33 ? 32 ARG A C 1 32 . A ATOM 253 O O . ARG A 1 32 ? 18.283 22.119 27.449 1.0 8.48 ? 32 ARG A O 1 32 . A ATOM 254 C CB . ARG A 1 32 ? 19.347 20.893 30.334 1.0 11.24 ? 32 ARG A CB 1 32 . A ATOM 255 C CG . ARG A 1 32 ? 18.152 21.785 30.742 1.0 12.7 ? 32 ARG A CG 1 32 . A ATOM 256 C CD . ARG A 1 32 ? 18.199 22.118 32.241 1.0 17.68 ? 32 ARG A CD 1 32 . A ATOM 257 N NE . ARG A 1 32 ? 19.377 22.888 32.571 1.0 21.26 ? 32 ARG A NE 1 32 . A ATOM 258 C CZ . ARG A 1 32 ? 19.766 23.150 33.815 1.0 23.99 ? 32 ARG A CZ 1 32 . A ATOM 259 N NH1 . ARG A 1 32 ? 19.050 22.688 34.840 1.0 25.49 ? 32 ARG A NH1 1 32 . A ATOM 260 N NH2 . ARG A 1 32 ? 20.861 23.880 34.030 1.0 24.84 ? 32 ARG A NH2 1 32 . A ATOM 261 N N . LYS A 1 33 ? 20.497 22.181 27.746 1.0 8.94 ? 33 LYS A N 1 33 . A ATOM 262 C CA . LYS A 1 33 ? 20.617 23.337 26.873 1.0 10.22 ? 33 LYS A CA 1 33 . A ATOM 263 C C . LYS A 1 33 ? 20.125 22.990 25.462 1.0 9.08 ? 33 LYS A C 1 33 . A ATOM 264 O O . LYS A 1 33 ? 19.399 23.759 24.851 1.0 9.61 ? 33 LYS A O 1 33 . A ATOM 265 C CB . LYS A 1 33 ? 22.078 23.818 26.790 1.0 11.94 ? 33 LYS A CB 1 33 . A ATOM 266 C CG . LYS A 1 33 ? 22.272 25.041 25.922 1.0 17.49 ? 33 LYS A CG 1 33 . A ATOM 267 C CD . LYS A 1 33 ? 23.743 25.384 25.707 1.0 21.33 ? 33 LYS A CD 1 33 . A ATOM 268 C CE . LYS A 1 33 ? 23.852 26.662 24.892 1.0 23.5 ? 33 LYS A CE 1 33 . A ATOM 269 N NZ . LYS A 1 33 ? 23.314 27.871 25.619 1.0 26.83 ? 33 LYS A NZ 1 33 . A ATOM 270 N N . ARG A 1 34 ? 20.557 21.852 24.916 1.0 7.97 ? 34 ARG A N 1 34 . A ATOM 271 C CA . ARG A 1 34 ? 20.131 21.465 23.571 1.0 7.28 ? 34 ARG A CA 1 34 . A ATOM 272 C C . ARG A 1 34 ? 18.606 21.306 23.499 1.0 6.97 ? 34 ARG A C 1 34 . A ATOM 273 O O . ARG A 1 34 ? 17.977 21.753 22.525 1.0 7.96 ? 34 ARG A O 1 34 . A ATOM 274 C CB . ARG A 1 34 ? 20.786 20.139 23.194 1.0 9.27 ? 34 ARG A CB 1 34 . A ATOM 275 C CG . ARG A 1 34 ? 20.477 19.715 21.751 1.0 10.19 ? 34 ARG A CG 1 34 . A ATOM 276 C CD . ARG A 1 34 ? 21.319 18.510 21.339 1.0 12.21 ? 34 ARG A CD 1 34 . A ATOM 277 N NE . ARG A 1 34 ? 20.990 18.048 19.992 1.0 12.73 ? 34 ARG A NE 1 34 . A ATOM 278 C CZ . ARG A 1 34 ? 21.539 18.502 18.867 1.0 11.65 ? 34 ARG A CZ 1 34 . A ATOM 279 N NH1 . ARG A 1 34 ? 22.468 19.463 18.881 1.0 13.12 ? 34 ARG A NH1 1 34 . A ATOM 280 N NH2 . ARG A 1 34 ? 21.195 17.938 17.714 1.0 11.18 ? 34 ARG A NH2 1 34 . A ATOM 281 N N . VAL A 1 35 ? 18.022 20.678 24.522 1.0 6.37 ? 35 VAL A N 1 35 . A ATOM 282 C CA . VAL A 1 35 ? 16.566 20.495 24.537 1.0 6.52 ? 35 VAL A CA 1 35 . A ATOM 283 C C . VAL A 1 35 ? 15.876 21.855 24.621 1.0 5.92 ? 35 VAL A C 1 35 . A ATOM 284 O O . VAL A 1 35 ? 14.886 22.093 23.923 1.0 6.57 ? 35 VAL A O 1 35 . A ATOM 285 C CB . VAL A 1 35 ? 16.117 19.571 25.684 1.0 6.12 ? 35 VAL A CB 1 35 . A ATOM 286 C CG1 . VAL A 1 35 ? 14.604 19.565 25.769 1.0 8.54 ? 35 VAL A CG1 1 35 . A ATOM 287 C CG2 . VAL A 1 35 ? 16.667 18.171 25.452 1.0 9.28 ? 35 VAL A CG2 1 35 . A ATOM 288 N N . HIS A 1 36 ? 16.378 22.776 25.443 1.0 4.8 ? 36 HIS A N 1 36 . A ATOM 289 C CA . HIS A 1 36 ? 15.742 24.092 25.482 1.0 4.94 ? 36 HIS A CA 1 36 . A ATOM 290 C C . HIS A 1 36 ? 15.793 24.773 24.115 1.0 5.45 ? 36 HIS A C 1 36 . A ATOM 291 O O . HIS A 1 36 ? 14.831 25.414 23.718 1.0 5.4 ? 36 HIS A O 1 36 . A ATOM 292 C CB . HIS A 1 36 ? 16.394 24.988 26.553 1.0 5.72 ? 36 HIS A CB 1 36 . A ATOM 293 C CG . HIS A 1 36 ? 15.886 24.707 27.936 1.0 5.46 ? 36 HIS A CG 1 36 . A ATOM 294 N ND1 . HIS A 1 36 ? 15.407 25.702 28.766 1.0 7.2 ? 36 HIS A ND1 1 36 . A ATOM 295 C CD2 . HIS A 1 36 ? 15.731 23.547 28.610 1.0 6.97 ? 36 HIS A CD2 1 36 . A ATOM 296 C CE1 . HIS A 1 36 ? 14.983 25.163 29.894 1.0 6.95 ? 36 HIS A CE1 1 36 . A ATOM 297 N NE2 . HIS A 1 36 ? 15.168 23.854 29.826 1.0 7.78 ? 36 HIS A NE2 1 36 . A ATOM 298 N N . GLN A 1 37 ? 16.930 24.649 23.417 1.0 5.73 ? 37 GLN A N 1 37 . A ATOM 299 C CA . GLN A 1 37 ? 17.036 25.277 22.098 1.0 6.89 ? 37 GLN A CA 1 37 . A ATOM 300 C C . GLN A 1 37 ? 16.042 24.672 21.116 1.0 6.19 ? 37 GLN A C 1 37 . A ATOM 301 O O . GLN A 1 37 ? 15.492 25.385 20.259 1.0 6.35 ? 37 GLN A O 1 37 . A ATOM 302 C CB . GLN A 1 37 ? 18.455 25.171 21.544 1.0 8.58 ? 37 GLN A CB 1 37 . A ATOM 303 C CG . GLN A 1 37 ? 18.666 26.055 20.313 1.0 12.5 ? 37 GLN A CG 1 37 . A ATOM 304 C CD . GLN A 1 37 ? 20.054 26.007 19.718 1.0 13.66 ? 37 GLN A CD 1 37 . A ATOM 305 O OE1 . GLN A 1 37 ? 20.233 26.190 18.489 1.0 11.79 ? 37 GLN A OE1 1 37 . A ATOM 306 N NE2 . GLN A 1 37 ? 21.068 25.794 20.594 1.0 15.73 ? 37 GLN A NE2 1 37 . A ATOM 307 N N . MET A 1 38 ? 15.796 23.365 21.242 1.0 5.77 ? 38 MET A N 1 38 . A ATOM 308 C CA . MET A 1 38 ? 14.803 22.724 20.389 1.0 5.79 ? 38 MET A CA 1 38 . A ATOM 309 C C . MET A 1 38 ? 13.426 23.290 20.696 1.0 4.67 ? 38 MET A C 1 38 . A ATOM 310 O O . MET A 1 38 ? 12.672 23.652 19.789 1.0 5.01 ? 38 MET A O 1 38 . A ATOM 311 C CB . MET A 1 38 ? 14.803 21.226 20.619 1.0 8.14 ? 38 MET A CB 1 38 . A ATOM 312 C CG . MET A 1 38 ? 16.094 20.606 20.232 1.0 12.31 ? 38 MET A CG 1 38 . A ATOM 313 S SD . MET A 1 38 ? 16.226 18.918 20.806 1.0 16.55 ? 38 MET A SD 1 38 . A ATOM 314 C CE . MET A 1 38 ? 17.557 18.315 19.694 1.0 17.45 ? 38 MET A CE 1 38 . A ATOM 315 N N . VAL A 1 39 ? 13.099 23.397 21.981 1.0 5.11 ? 39 VAL A N 1 39 . A ATOM 316 C CA . VAL A 1 39 ? 11.793 23.948 22.367 1.0 4.79 ? 39 VAL A CA 1 39 . A ATOM 317 C C . VAL A 1 39 ? 11.621 25.373 21.866 1.0 4.98 ? 39 VAL A C 1 39 . A ATOM 318 O O . VAL A 1 39 ? 10.549 25.734 21.409 1.0 4.97 ? 39 VAL A O 1 39 . A ATOM 319 C CB . VAL A 1 39 ? 11.569 23.843 23.906 1.0 6.23 ? 39 VAL A CB 1 39 . A ATOM 320 C CG1 . VAL A 1 39 ? 10.259 24.577 24.329 1.0 7.68 ? 39 VAL A CG1 1 39 . A ATOM 321 C CG2 . VAL A 1 39 ? 11.498 22.346 24.299 1.0 8.26 ? 39 VAL A CG2 1 39 . A ATOM 322 N N . SER A 1 40 ? 12.676 26.188 21.941 1.0 4.36 ? 40 SER A N 1 40 . A ATOM 323 C CA . SER A 1 40 ? 12.559 27.580 21.485 1.0 4.82 ? 40 SER A CA 1 40 . A ATOM 324 C C . SER A 1 40 ? 12.222 27.597 19.997 1.0 4.35 ? 40 SER A C 1 40 . A ATOM 325 O O . SER A 1 40 ? 11.458 28.414 19.531 1.0 4.7 ? 40 SER A O 1 40 . A ATOM 326 C CB . SER A 1 40 ? 13.882 28.324 21.753 1.0 6.65 ? 40 SER A CB 1 40 . A ATOM 327 O OG . SER A 1 40 ? 14.145 28.395 23.151 1.0 11.82 ? 40 SER A OG 1 40 . A ATOM 328 N N . ASN A 1 41 ? 12.825 26.685 19.239 1.0 4.12 ? 41 ASN A N 1 41 . A ATOM 329 C CA . ASN A 1 41 ? 12.519 26.576 17.810 1.0 3.55 ? 41 ASN A CA 1 41 . A ATOM 330 C C . ASN A 1 41 ? 11.086 26.068 17.544 1.0 3.78 ? 41 ASN A C 1 41 . A ATOM 331 O O . ASN A 1 41 ? 10.401 26.583 16.669 1.0 3.63 ? 41 ASN A O 1 41 . A ATOM 332 C CB . ASN A 1 41 ? 13.541 25.666 17.126 1.0 4.13 ? 41 ASN A CB 1 41 . A ATOM 333 C CG . ASN A 1 41 ? 14.790 26.424 16.767 1.0 4.51 ? 41 ASN A CG 1 41 . A ATOM 334 O OD1 . ASN A 1 41 ? 14.758 27.277 15.872 1.0 6.41 ? 41 ASN A OD1 1 41 . A ATOM 335 N ND2 . ASN A 1 41 ? 15.902 26.127 17.446 1.0 5.67 ? 41 ASN A ND2 1 41 . A ATOM 336 N N . ILE A 1 42 ? 10.618 25.103 18.324 1.0 3.59 ? 42 ILE A N 1 42 . A ATOM 337 C CA . ILE A 1 42 ? 9.251 24.583 18.152 1.0 3.83 ? 42 ILE A CA 1 42 . A ATOM 338 C C . ILE A 1 42 ? 8.269 25.718 18.470 1.0 4.13 ? 42 ILE A C 1 42 . A ATOM 339 O O . ILE A 1 42 ? 7.305 25.949 17.745 1.0 4.7 ? 42 ILE A O 1 42 . A ATOM 340 C CB . ILE A 1 42 ? 8.993 23.380 19.087 1.0 4.47 ? 42 ILE A CB 1 42 . A ATOM 341 C CG1 . ILE A 1 42 ? 9.936 22.213 18.743 1.0 5.16 ? 42 ILE A CG1 1 42 . A ATOM 342 C CG2 . ILE A 1 42 ? 7.546 22.928 18.942 1.0 4.85 ? 42 ILE A CG2 1 42 . A ATOM 343 C CD1 . ILE A 1 42 ? 9.964 21.122 19.774 1.0 6.82 ? 42 ILE A CD1 1 42 . A ATOM 344 N N . ASN A 1 43 ? 8.535 26.444 19.545 1.0 3.98 ? 43 ASN A N 1 43 . A ATOM 345 C CA . ASN A 1 43 ? 7.662 27.544 19.882 1.0 4.7 ? 43 ASN A CA 1 43 . A ATOM 346 C C . ASN A 1 43 ? 7.600 28.591 18.743 1.0 3.75 ? 43 ASN A C 1 43 . A ATOM 347 O O . ASN A 1 43 ? 6.521 29.050 18.374 1.0 5.36 ? 43 ASN A O 1 43 . A ATOM 348 C CB . ASN A 1 43 ? 8.165 28.193 21.155 1.0 6.36 ? 43 ASN A CB 1 43 . A ATOM 349 C CG . ASN A 1 43 ? 7.282 29.278 21.594 1.0 9.39 ? 43 ASN A CG 1 43 . A ATOM 350 O OD1 . ASN A 1 43 ? 6.184 29.019 22.086 1.0 10.78 ? 43 ASN A OD1 1 43 . A ATOM 351 N ND2 . ASN A 1 43 ? 7.715 30.532 21.372 1.0 10.24 ? 43 ASN A ND2 1 43 . A ATOM 352 N N . GLU A 1 44 ? 8.754 28.926 18.173 1.0 4.56 ? 44 GLU A N 1 44 . A ATOM 353 C CA . GLU A 1 44 ? 8.786 29.888 17.078 1.0 4.86 ? 44 GLU A CA 1 44 . A ATOM 354 C C . GLU A 1 44 ? 7.963 29.356 15.895 1.0 4.74 ? 44 GLU A C 1 44 . A ATOM 355 O O . GLU A 1 44 ? 7.185 30.098 15.255 1.0 5.8 ? 44 GLU A O 1 44 . A ATOM 356 C CB . GLU A 1 44 ? 10.229 30.121 16.640 1.0 5.08 ? 44 GLU A CB 1 44 . A ATOM 357 C CG . GLU A 1 44 ? 10.423 30.860 15.329 1.0 6.56 ? 44 GLU A CG 1 44 . A ATOM 358 C CD . GLU A 1 44 ? 9.875 32.264 15.322 1.0 7.86 ? 44 GLU A CD 1 44 . A ATOM 359 O OE1 . GLU A 1 44 ? 9.619 32.856 16.380 1.0 7.14 ? 44 GLU A OE1 1 44 . A ATOM 360 O OE2 . GLU A 1 44 ? 9.750 32.793 14.199 1.0 10.17 ? 44 GLU A OE2 1 44 . A ATOM 361 N N . MET A 1 45 ? 8.145 28.076 15.572 1.0 4.61 ? 45 MET A N 1 45 . A ATOM 362 C CA . MET A 1 45 ? 7.396 27.517 14.434 1.0 4.32 ? 45 MET A CA 1 45 . A ATOM 363 C C . MET A 1 45 ? 5.898 27.454 14.639 1.0 3.78 ? 45 MET A C 1 45 . A ATOM 364 O O . MET A 1 45 ? 5.127 27.499 13.677 1.0 5.05 ? 45 MET A O 1 45 . A ATOM 365 C CB . MET A 1 45 ? 7.947 26.147 14.051 1.0 5.21 ? 45 MET A CB 1 45 . A ATOM 366 C CG . MET A 1 45 ? 9.301 26.299 13.310 1.0 6.09 ? 45 MET A CG 1 45 . A ATOM 367 S SD . MET A 1 45 ? 10.029 24.720 12.794 1.0 6.69 ? 45 MET A SD 1 45 . A ATOM 368 C CE . MET A 1 45 ? 11.138 24.361 14.191 1.0 5.25 ? 45 MET A CE 1 45 . A ATOM 369 N N . CYS A 1 46 ? 5.487 27.369 15.896 1.0 4.77 ? 46 CYS A N 1 46 . A ATOM 370 C CA . CYS A 1 46 ? 4.065 27.331 16.191 1.0 5.84 ? 46 CYS A CA 1 46 . A ATOM 371 C C . CYS A 1 46 ? 3.420 28.707 16.369 1.0 5.94 ? 46 CYS A C 1 46 . A ATOM 372 O O . CYS A 1 46 ? 2.218 28.793 16.564 1.0 7.02 ? 46 CYS A O 1 46 . A ATOM 373 C CB . CYS A 1 46 ? 3.809 26.469 17.422 1.0 4.99 ? 46 CYS A CB 1 46 . A ATOM 374 S SG . CYS A 1 46 ? 4.095 24.704 17.115 1.0 6.84 ? 46 CYS A SG 1 46 . A ATOM 375 N N . ARG A 1 47 ? 4.189 29.781 16.252 1.0 7.22 ? 47 ARG A N 1 47 . A ATOM 376 C CA . ARG A 1 47 ? 3.558 31.081 16.449 1.0 8.88 ? 47 ARG A CA 1 47 . A ATOM 377 C C . ARG A 1 47 ? 2.421 31.385 15.486 1.0 8.98 ? 47 ARG A C 1 47 . A ATOM 378 O O . ARG A 1 47 ? 1.379 31.906 15.903 1.0 9.79 ? 47 ARG A O 1 47 . A ATOM 379 C CB . ARG A 1 47 ? 4.577 32.197 16.376 1.0 11.72 ? 47 ARG A CB 1 47 . A ATOM 380 C CG . ARG A 1 47 ? 5.511 32.246 17.506 1.0 13.69 ? 47 ARG A CG 1 47 . A ATOM 381 C CD . ARG A 1 47 ? 6.402 33.468 17.347 1.0 15.35 ? 47 ARG A CD 1 47 . A ATOM 382 N NE . ARG A 1 47 ? 6.813 33.626 15.956 1.0 18.06 ? 47 ARG A NE 1 47 . A ATOM 383 C CZ . ARG A 1 47 ? 7.588 34.604 15.535 1.0 17.49 ? 47 ARG A CZ 1 47 . A ATOM 384 N NH1 . ARG A 1 47 ? 8.028 35.476 16.415 1.0 15.51 ? 47 ARG A NH1 1 47 . A ATOM 385 N NH2 . ARG A 1 47 ? 7.890 34.733 14.234 1.0 18.21 ? 47 ARG A NH2 1 47 . A ATOM 386 N N . PRO A 1 48 ? 2.574 31.069 14.185 1.0 9.59 ? 48 PRO A N 1 48 . A ATOM 387 C CA . PRO A 1 48 ? 1.450 31.365 13.284 1.0 9.77 ? 48 PRO A CA 1 48 . A ATOM 388 C C . PRO A 1 48 ? 0.219 30.512 13.567 1.0 9.33 ? 48 PRO A C 1 48 . A ATOM 389 O O . PRO A 1 48 ? -0.850 30.778 13.018 1.0 11.01 ? 48 PRO A O 1 48 . A ATOM 390 C CB . PRO A 1 48 ? 2.024 31.087 11.888 1.0 9.96 ? 48 PRO A CB 1 48 . A ATOM 391 C CG . PRO A 1 48 ? 3.493 31.336 12.073 1.0 9.29 ? 48 PRO A CG 1 48 . A ATOM 392 C CD . PRO A 1 48 ? 3.793 30.716 13.425 1.0 9.59 ? 48 PRO A CD 1 48 . A ATOM 393 N N . LEU A 1 49 ? 0.336 29.452 14.383 1.0 8.46 ? 49 LEU A N 1 49 . A ATOM 394 C CA . LEU A 1 49 ? -0.824 28.645 14.728 1.0 8.55 ? 49 LEU A CA 1 49 . A ATOM 395 C C . LEU A 1 49 ? -1.456 29.124 16.042 1.0 7.12 ? 49 LEU A C 1 49 . A ATOM 396 O O . LEU A 1 49 ? -2.464 28.579 16.482 1.0 8.38 ? 49 LEU A O 1 49 . A ATOM 397 C CB . LEU A 1 49 ? -0.415 27.164 14.893 1.0 7.77 ? 49 LEU A CB 1 49 . A ATOM 398 C CG . LEU A 1 49 ? 0.216 26.503 13.648 1.0 7.98 ? 49 LEU A CG 1 49 . A ATOM 399 C CD1 . LEU A 1 49 ? 0.426 25.030 13.934 1.0 9.19 ? 49 LEU A CD1 1 49 . A ATOM 400 C CD2 . LEU A 1 49 ? -0.660 26.699 12.430 1.0 9.97 ? 49 LEU A CD2 1 49 . A ATOM 401 N N . ASN A 1 50 ? -0.809 30.121 16.651 1.0 7.61 ? 50 ASN A N 1 50 . A ATOM 402 C CA . ASN A 1 50 ? -1.223 30.662 17.945 1.0 7.76 ? 50 ASN A CA 1 50 . A ATOM 403 C C . ASN A 1 50 ? -1.228 29.590 19.052 1.0 8.27 ? 50 ASN A C 1 50 . A ATOM 404 O O . ASN A 1 50 ? -2.140 29.519 19.877 1.0 8.38 ? 50 ASN A O 1 50 . A ATOM 405 C CB . ASN A 1 50 ? -2.580 31.391 17.852 1.0 9.15 ? 50 ASN A CB 1 50 . A ATOM 406 C CG . ASN A 1 50 ? -2.742 32.451 18.936 1.0 9.82 ? 50 ASN A CG 1 50 . A ATOM 407 O OD1 . ASN A 1 50 ? -1.800 32.821 19.650 1.0 10.34 ? 50 ASN A OD1 1 50 . A ATOM 408 N ND2 . ASN A 1 50 ? -3.956 32.947 19.055 1.0 10.93 ? 50 ASN A ND2 1 50 . A ATOM 409 N N . ILE A 1 51 ? -0.202 28.723 19.018 1.0 7.94 ? 51 ILE A N 1 51 . A ATOM 410 C CA . ILE A 1 51 ? -0.043 27.709 20.049 1.0 7.34 ? 51 ILE A CA 1 51 . A ATOM 411 C C . ILE A 1 51 ? 1.201 28.068 20.856 1.0 7.28 ? 51 ILE A C 1 51 . A ATOM 412 O O . ILE A 1 51 ? 2.297 28.193 20.306 1.0 7.95 ? 51 ILE A O 1 51 . A ATOM 413 C CB . ILE A 1 51 ? 0.183 26.278 19.490 1.0 6.85 ? 51 ILE A CB 1 51 . A ATOM 414 C CG1 . ILE A 1 51 ? -0.963 25.866 18.573 1.0 7.67 ? 51 ILE A CG1 1 51 . A ATOM 415 C CG2 . ILE A 1 51 ? 0.251 25.278 20.666 1.0 7.07 ? 51 ILE A CG2 1 51 . A ATOM 416 C CD1 . ILE A 1 51 ? -0.659 24.540 17.865 1.0 9.02 ? 51 ILE A CD1 1 51 . A ATOM 417 N N . ALA A 1 52 ? 1.020 28.282 22.158 1.0 6.54 ? 52 ALA A N 1 52 . A ATOM 418 C CA . ALA A 1 52 ? 2.156 28.599 23.038 1.0 6.99 ? 52 ALA A CA 1 52 . A ATOM 419 C C . ALA A 1 52 ? 2.729 27.269 23.500 1.0 6.62 ? 52 ALA A C 1 52 . A ATOM 420 O O . ALA A 1 52 ? 2.025 26.466 24.112 1.0 6.37 ? 52 ALA A O 1 52 . A ATOM 421 C CB . ALA A 1 52 ? 1.671 29.433 24.259 1.0 7.26 ? 52 ALA A CB 1 52 . A ATOM 422 N N . ILE A 1 53 ? 4.008 27.072 23.250 1.0 7.07 ? 53 ILE A N 1 53 . A ATOM 423 C CA . ILE A 1 53 ? 4.695 25.819 23.575 1.0 7.1 ? 53 ILE A CA 1 53 . A ATOM 424 C C . ILE A 1 53 ? 5.560 26.000 24.823 1.0 7.59 ? 53 ILE A C 1 53 . A ATOM 425 O O . ILE A 1 53 ? 6.344 26.953 24.900 1.0 9.24 ? 53 ILE A O 1 53 . A ATOM 426 C CB . ILE A 1 53 ? 5.646 25.418 22.391 1.0 7.79 ? 53 ILE A CB 1 53 . A ATOM 427 C CG1 . ILE A 1 53 ? 4.876 25.292 21.069 1.0 9.02 ? 53 ILE A CG1 1 53 . A ATOM 428 C CG2 . ILE A 1 53 ? 6.375 24.105 22.712 1.0 8.65 ? 53 ILE A CG2 1 53 . A ATOM 429 C CD1 . ILE A 1 53 ? 3.904 24.122 21.026 1.0 8.97 ? 53 ILE A CD1 1 53 . A ATOM 430 N N . THR A 1 54 ? 5.385 25.132 25.802 1.0 6.59 ? 54 THR A N 1 54 . A ATOM 431 C CA . THR A 1 54 ? 6.241 25.166 26.975 1.0 7.85 ? 54 THR A CA 1 54 . A ATOM 432 C C . THR A 1 54 ? 6.801 23.787 27.255 1.0 8.56 ? 54 THR A C 1 54 . A ATOM 433 O O . THR A 1 54 ? 6.202 22.770 26.851 1.0 9.49 ? 54 THR A O 1 54 . A ATOM 434 C CB . THR A 1 54 ? 5.508 25.651 28.241 1.0 9.13 ? 54 THR A CB 1 54 . A ATOM 435 O OG1 . THR A 1 54 ? 4.241 24.992 28.391 1.0 9.53 ? 54 THR A OG1 1 54 . A ATOM 436 C CG2 . THR A 1 54 ? 5.355 27.161 28.205 1.0 11.23 ? 54 THR A CG2 1 54 . A ATOM 437 N N . LEU A 1 55 ? 7.963 23.750 27.908 1.0 6.97 ? 55 LEU A N 1 55 . A ATOM 438 C CA . LEU A 1 55 ? 8.601 22.507 28.345 1.0 7.28 ? 55 LEU A CA 1 55 . A ATOM 439 C C . LEU A 1 55 ? 8.134 22.252 29.769 1.0 7.67 ? 55 LEU A C 1 55 . A ATOM 440 O O . LEU A 1 55 ? 8.656 22.843 30.713 1.0 9.2 ? 55 LEU A O 1 55 . A ATOM 441 C CB . LEU A 1 55 ? 10.135 22.646 28.294 1.0 7.56 ? 55 LEU A CB 1 55 . A ATOM 442 C CG . LEU A 1 55 ? 10.929 21.399 28.701 1.0 8.48 ? 55 LEU A CG 1 55 . A ATOM 443 C CD1 . LEU A 1 55 ? 10.580 20.257 27.766 1.0 9.78 ? 55 LEU A CD1 1 55 . A ATOM 444 C CD2 . LEU A 1 55 ? 12.410 21.698 28.648 1.0 9.93 ? 55 LEU A CD2 1 55 . A ATOM 445 N N . ALA A 1 56 ? 7.113 21.415 29.928 1.0 7.07 ? 56 ALA A N 1 56 . A ATOM 446 C CA . ALA A 1 56 ? 6.588 21.082 31.255 1.0 7.34 ? 56 ALA A CA 1 56 . A ATOM 447 C C . ALA A 1 56 ? 7.507 20.132 31.996 1.0 8.03 ? 56 ALA A C 1 56 . A ATOM 448 O O . ALA A 1 56 ? 7.577 20.161 33.216 1.0 8.91 ? 56 ALA A O 1 56 . A ATOM 449 C CB . ALA A 1 56 ? 5.203 20.431 31.112 1.0 8.82 ? 56 ALA A CB 1 56 . A ATOM 450 N N . LEU A 1 57 ? 8.203 19.266 31.275 1.0 8.29 ? 57 LEU A N 1 57 . A ATOM 451 C CA . LEU A 1 57 ? 9.025 18.254 31.895 1.0 9.22 ? 57 LEU A CA 1 57 . A ATOM 452 C C . LEU A 1 57 ? 10.143 17.761 31.017 1.0 8.83 ? 57 LEU A C 1 57 . A ATOM 453 O O . LEU A 1 57 ? 9.914 17.523 29.822 1.0 9.1 ? 57 LEU A O 1 57 . A ATOM 454 C CB . LEU A 1 57 ? 8.136 17.062 32.222 1.0 10.96 ? 57 LEU A CB 1 57 . A ATOM 455 C CG . LEU A 1 57 ? 8.652 15.841 32.945 1.0 13.57 ? 57 LEU A CG 1 57 . A ATOM 456 C CD1 . LEU A 1 57 ? 8.988 16.273 34.367 1.0 14.96 ? 57 LEU A CD1 1 57 . A ATOM 457 C CD2 . LEU A 1 57 ? 7.560 14.768 32.960 1.0 14.49 ? 57 LEU A CD2 1 57 . A ATOM 458 N N . LEU A 1 58 ? 11.340 17.615 31.579 1.0 8.55 ? 58 LEU A N 1 58 . A ATOM 459 C CA . LEU A 1 58 ? 12.503 17.059 30.871 1.0 8.84 ? 58 LEU A CA 1 58 . A ATOM 460 C C . LEU A 1 58 ? 12.920 15.856 31.696 1.0 9.37 ? 58 LEU A C 1 58 . A ATOM 461 O O . LEU A 1 58 ? 13.148 15.960 32.910 1.0 10.46 ? 58 LEU A O 1 58 . A ATOM 462 C CB . LEU A 1 58 ? 13.666 18.067 30.792 1.0 9.67 ? 58 LEU A CB 1 58 . A ATOM 463 C CG . LEU A 1 58 ? 15.000 17.462 30.356 1.0 10.08 ? 58 LEU A CG 1 58 . A ATOM 464 C CD1 . LEU A 1 58 ? 14.868 16.894 28.936 1.0 10.24 ? 58 LEU A CD1 1 58 . A ATOM 465 C CD2 . LEU A 1 58 ? 16.121 18.532 30.384 1.0 11.6 ? 58 LEU A CD2 1 58 . A ATOM 466 N N . ASP A 1 59 ? 12.976 14.694 31.076 1.0 8.0 ? 59 ASP A N 1 59 . A ATOM 467 C CA . ASP A 1 59 ? 13.381 13.482 31.771 1.0 7.84 ? 59 ASP A CA 1 59 . A ATOM 468 C C . ASP A 1 59 ? 14.540 12.902 30.991 1.0 8.6 ? 59 ASP A C 1 59 . A ATOM 469 O O . ASP A 1 59 ? 14.376 12.541 29.829 1.0 8.16 ? 59 ASP A O 1 59 . A ATOM 470 C CB . ASP A 1 59 ? 12.213 12.487 31.846 1.0 9.71 ? 59 ASP A CB 1 59 . A ATOM 471 C CG . ASP A 1 59 ? 12.569 11.204 32.571 1.0 12.33 ? 59 ASP A CG 1 59 . A ATOM 472 O OD1 . ASP A 1 59 ? 13.504 11.207 33.396 1.0 15.32 ? 59 ASP A OD1 1 59 . A ATOM 473 O OD2 . ASP A 1 59 ? 11.899 10.176 32.340 1.0 13.79 ? 59 ASP A OD2 1 59 . A ATOM 474 N N . VAL A 1 60 ? 15.716 12.815 31.602 1.0 8.66 ? 60 VAL A N 1 60 . A ATOM 475 C CA . VAL A 1 60 ? 16.903 12.283 30.927 1.0 9.3 ? 60 VAL A CA 1 60 . A ATOM 476 C C . VAL A 1 60 ? 17.200 10.941 31.557 1.0 9.57 ? 60 VAL A C 1 60 . A ATOM 477 O O . VAL A 1 60 ? 17.354 10.851 32.776 1.0 9.83 ? 60 VAL A O 1 60 . A ATOM 478 C CB . VAL A 1 60 ? 18.087 13.232 31.126 1.0 9.97 ? 60 VAL A CB 1 60 . A ATOM 479 C CG1 . VAL A 1 60 ? 19.362 12.660 30.504 1.0 10.27 ? 60 VAL A CG1 1 60 . A ATOM 480 C CG2 . VAL A 1 60 ? 17.712 14.581 30.546 1.0 9.75 ? 60 VAL A CG2 1 60 . A ATOM 481 N N . TRP A 1 61 ? 17.237 9.899 30.735 1.0 9.76 ? 61 TRP A N 1 61 . A ATOM 482 C CA . TRP A 1 61 ? 17.482 8.527 31.204 1.0 9.52 ? 61 TRP A CA 1 61 . A ATOM 483 C C . TRP A 1 61 ? 18.984 8.300 31.356 1.0 11.2 ? 61 TRP A C 1 61 . A ATOM 484 O O . TRP A 1 61 ? 19.619 7.626 30.551 1.0 11.73 ? 61 TRP A O 1 61 . A ATOM 485 C CB . TRP A 1 61 ? 16.854 7.526 30.221 1.0 9.52 ? 61 TRP A CB 1 61 . A ATOM 486 C CG . TRP A 1 61 ? 15.342 7.555 30.202 1.0 7.72 ? 61 TRP A CG 1 61 . A ATOM 487 C CD1 . TRP A 1 61 ? 14.495 8.212 31.089 1.0 8.27 ? 61 TRP A CD1 1 61 . A ATOM 488 C CD2 . TRP A 1 61 ? 14.493 6.843 29.309 1.0 7.55 ? 61 TRP A CD2 1 61 . A ATOM 489 N NE1 . TRP A 1 61 ? 13.183 7.929 30.787 1.0 8.41 ? 61 TRP A NE1 1 61 . A ATOM 490 C CE2 . TRP A 1 61 ? 13.148 7.089 29.701 1.0 7.46 ? 61 TRP A CE2 1 61 . A ATOM 491 C CE3 . TRP A 1 61 ? 14.732 5.998 28.208 1.0 8.12 ? 61 TRP A CE3 1 61 . A ATOM 492 C CZ2 . TRP A 1 61 ? 12.054 6.522 29.031 1.0 7.94 ? 61 TRP A CZ2 1 61 . A ATOM 493 C CZ3 . TRP A 1 61 ? 13.666 5.453 27.557 1.0 7.86 ? 61 TRP A CZ3 1 61 . A ATOM 494 C CH2 . TRP A 1 61 ? 12.333 5.704 27.955 1.0 7.84 ? 61 TRP A CH2 1 61 . A ATOM 495 N N . SER A 1 62 ? 19.535 8.887 32.421 1.0 12.25 ? 62 SER A N 1 62 . A ATOM 496 C CA . SER A 1 62 ? 20.958 8.838 32.714 1.0 14.27 ? 62 SER A CA 1 62 . A ATOM 497 C C . SER A 1 62 ? 21.503 7.496 33.195 1.0 15.33 ? 62 SER A C 1 62 . A ATOM 498 O O . SER A 1 62 ? 22.709 7.308 33.178 1.0 16.63 ? 62 SER A O 1 62 . A ATOM 499 C CB . SER A 1 62 ? 21.287 9.896 33.757 1.0 14.2 ? 62 SER A CB 1 62 . A ATOM 500 O OG . SER A 1 62 ? 20.467 9.735 34.894 1.0 16.4 ? 62 SER A OG 1 62 . A ATOM 501 N N . GLU A 1 63 ? 20.624 6.602 33.625 1.0 16.11 ? 63 GLU A N 1 63 . A ATOM 502 C CA . GLU A 1 63 ? 21.052 5.294 34.133 1.0 18.02 ? 63 GLU A CA 1 63 . A ATOM 503 C C . GLU A 1 63 ? 20.834 4.178 33.105 1.0 17.85 ? 63 GLU A C 1 63 . A ATOM 504 O O . GLU A 1 63 ? 21.769 3.417 32.779 1.0 18.43 ? 63 GLU A O 1 63 . A ATOM 505 C CB . GLU A 1 63 ? 20.286 4.979 35.430 1.0 21.19 ? 63 GLU A CB 1 63 . A ATOM 506 C CG . GLU A 1 63 ? 20.601 3.617 36.082 1.0 25.38 ? 63 GLU A CG 1 63 . A ATOM 507 C CD . GLU A 1 63 ? 19.561 3.202 37.140 1.0 27.97 ? 63 GLU A CD 1 63 . A ATOM 508 O OE1 . GLU A 1 63 ? 19.682 2.086 37.698 1.0 29.85 ? 63 GLU A OE1 1 63 . A ATOM 509 O OE2 . GLU A 1 63 ? 18.618 3.987 37.423 1.0 30.02 ? 63 GLU A OE2 1 63 . A ATOM 510 N N . LYS A 1 64 ? 19.609 4.084 32.591 1.0 16.62 ? 64 LYS A N 1 64 . A ATOM 511 C CA . LYS A 1 64 ? 19.259 3.052 31.610 1.0 15.32 ? 64 LYS A CA 1 64 . A ATOM 512 C C . LYS A 1 64 ? 17.960 3.408 30.901 1.0 14.01 ? 64 LYS A C 1 64 . A ATOM 513 O O . LYS A 1 64 ? 17.222 4.279 31.367 1.0 14.34 ? 64 LYS A O 1 64 . A ATOM 514 C CB . LYS A 1 64 ? 19.064 1.715 32.324 1.0 17.12 ? 64 LYS A CB 1 64 . A ATOM 515 C CG . LYS A 1 64 ? 17.866 1.666 33.262 1.0 19.15 ? 64 LYS A CG 1 64 . A ATOM 516 C CD . LYS A 1 64 ? 17.812 0.304 33.922 1.0 22.29 ? 64 LYS A CD 1 64 . A ATOM 517 C CE . LYS A 1 64 ? 16.540 0.085 34.702 1.0 23.64 ? 64 LYS A CE 1 64 . A ATOM 518 N NZ . LYS A 1 64 ? 16.606 -1.279 35.352 1.0 26.26 ? 64 LYS A NZ 1 64 . A ATOM 519 N N . ASP A 1 65 ? 17.682 2.749 29.778 1.0 12.48 ? 65 ASP A N 1 65 . A ATOM 520 C CA . ASP A 1 65 ? 16.417 2.956 29.077 1.0 12.07 ? 65 ASP A CA 1 65 . A ATOM 521 C C . ASP A 1 65 ? 15.311 2.242 29.840 1.0 11.33 ? 65 ASP A C 1 65 . A ATOM 522 O O . ASP A 1 65 ? 15.496 1.095 30.301 1.0 12.42 ? 65 ASP A O 1 65 . A ATOM 523 C CB . ASP A 1 65 ? 16.466 2.377 27.676 1.0 12.26 ? 65 ASP A CB 1 65 . A ATOM 524 C CG . ASP A 1 65 ? 17.279 3.228 26.730 1.0 12.28 ? 65 ASP A CG 1 65 . A ATOM 525 O OD1 . ASP A 1 65 ? 17.762 2.681 25.719 1.0 12.61 ? 65 ASP A OD1 1 65 . A ATOM 526 O OD2 . ASP A 1 65 ? 17.417 4.434 26.996 1.0 12.97 ? 65 ASP A OD2 1 65 . A ATOM 527 N N . PHE A 1 66 ? 14.161 2.884 29.949 1.0 10.22 ? 66 PHE A N 1 66 . A ATOM 528 C CA . PHE A 1 66 ? 13.021 2.323 30.648 1.0 10.52 ? 66 PHE A CA 1 66 . A ATOM 529 C C . PHE A 1 66 ? 12.038 1.575 29.742 1.0 11.19 ? 66 PHE A C 1 66 . A ATOM 530 O O . PHE A 1 66 ? 11.047 1.005 30.214 1.0 11.92 ? 66 PHE A O 1 66 . A ATOM 531 C CB . PHE A 1 66 ? 12.341 3.438 31.474 1.0 10.7 ? 66 PHE A CB 1 66 . A ATOM 532 C CG . PHE A 1 66 ? 13.165 3.859 32.666 1.0 12.33 ? 66 PHE A CG 1 66 . A ATOM 533 C CD1 . PHE A 1 66 ? 13.691 5.131 32.755 1.0 13.67 ? 66 PHE A CD1 1 66 . A ATOM 534 C CD2 . PHE A 1 66 ? 13.485 2.933 33.660 1.0 14.39 ? 66 PHE A CD2 1 66 . A ATOM 535 C CE1 . PHE A 1 66 ? 14.537 5.495 33.817 1.0 15.59 ? 66 PHE A CE1 1 66 . A ATOM 536 C CE2 . PHE A 1 66 ? 14.333 3.288 34.722 1.0 15.76 ? 66 PHE A CE2 1 66 . A ATOM 537 C CZ . PHE A 1 66 ? 14.856 4.578 34.790 1.0 15.73 ? 66 PHE A CZ 1 66 . A ATOM 538 N N . ILE A 1 67 ? 12.304 1.619 28.435 1.0 9.97 ? 67 ILE A N 1 67 . A ATOM 539 C CA . ILE A 1 67 ? 11.544 0.871 27.443 1.0 10.56 ? 67 ILE A CA 1 67 . A ATOM 540 C C . ILE A 1 67 ? 12.569 0.306 26.482 1.0 11.0 ? 67 ILE A C 1 67 . A ATOM 541 O O . ILE A 1 67 ? 13.712 0.738 26.492 1.0 10.79 ? 67 ILE A O 1 67 . A ATOM 542 C CB . ILE A 1 67 ? 10.530 1.727 26.628 1.0 9.76 ? 67 ILE A CB 1 67 . A ATOM 543 C CG1 . ILE A 1 67 ? 11.262 2.713 25.708 1.0 8.83 ? 67 ILE A CG1 1 67 . A ATOM 544 C CG2 . ILE A 1 67 ? 9.570 2.414 27.555 1.0 10.58 ? 67 ILE A CG2 1 67 . A ATOM 545 C CD1 . ILE A 1 67 ? 10.302 3.474 24.796 1.0 9.42 ? 67 ILE A CD1 1 67 . A ATOM 546 N N . THR A 1 68 ? 12.142 -0.652 25.667 1.0 11.98 ? 68 THR A N 1 68 . A ATOM 547 C CA . THR A 1 68 ? 13.031 -1.233 24.694 1.0 13.18 ? 68 THR A CA 1 68 . A ATOM 548 C C . THR A 1 68 ? 13.058 -0.316 23.450 1.0 10.71 ? 68 THR A C 1 68 . A ATOM 549 O O . THR A 1 68 ? 12.192 -0.450 22.575 1.0 11.65 ? 68 THR A O 1 68 . A ATOM 550 C CB . THR A 1 68 ? 12.535 -2.638 24.313 1.0 14.58 ? 68 THR A CB 1 68 . A ATOM 551 O OG1 . THR A 1 68 ? 12.222 -3.390 25.505 1.0 18.4 ? 68 THR A OG1 1 68 . A ATOM 552 C CG2 . THR A 1 68 ? 13.608 -3.352 23.531 1.0 16.88 ? 68 THR A CG2 1 68 . A ATOM 553 N N . VAL A 1 69 ? 14.000 0.630 23.407 1.0 11.0 ? 69 VAL A N 1 69 . A ATOM 554 C CA . VAL A 1 69 ? 14.116 1.541 22.268 1.0 10.05 ? 69 VAL A CA 1 69 . A ATOM 555 C C . VAL A 1 69 ? 14.661 0.567 21.240 1.0 11.24 ? 69 VAL A C 1 69 . A ATOM 556 O O . VAL A 1 69 ? 15.536 -0.264 21.559 1.0 13.72 ? 69 VAL A O 1 69 . A ATOM 557 C CB . VAL A 1 69 ? 15.074 2.747 22.557 1.0 10.46 ? 69 VAL A CB 1 69 . A ATOM 558 C CG1 . VAL A 1 69 ? 15.009 3.797 21.431 1.0 11.57 ? 69 VAL A CG1 1 69 . A ATOM 559 C CG2 . VAL A 1 69 ? 14.636 3.433 23.853 1.0 10.86 ? 69 VAL A CG2 1 69 . A ATOM 560 N N . GLN A 1 70 ? 14.095 0.587 20.056 1.0 7.96 ? 70 GLN A N 1 70 . A ATOM 561 C CA . GLN A 1 70 ? 14.510 -0.359 19.024 1.0 7.33 ? 70 GLN A CA 1 70 . A ATOM 562 C C . GLN A 1 70 ? 14.396 0.244 17.638 1.0 7.47 ? 70 GLN A C 1 70 . A ATOM 563 O O . GLN A 1 70 ? 13.906 1.366 17.459 1.0 7.63 ? 70 GLN A O 1 70 . A ATOM 564 C CB . GLN A 1 70 ? 13.664 -1.628 19.155 1.0 7.48 ? 70 GLN A CB 1 70 . A ATOM 565 C CG . GLN A 1 70 ? 12.170 -1.387 19.152 1.0 7.97 ? 70 GLN A CG 1 70 . A ATOM 566 C CD . GLN A 1 70 ? 11.413 -2.645 19.496 1.0 7.95 ? 70 GLN A CD 1 70 . A ATOM 567 O OE1 . GLN A 1 70 ? 11.191 -3.481 18.624 1.0 7.75 ? 70 GLN A OE1 1 70 . A ATOM 568 N NE2 . GLN A 1 70 ? 11.033 -2.796 20.760 1.0 9.86 ? 70 GLN A NE2 1 70 . A ATOM 569 N N . ALA A 1 71 ? 14.796 -0.531 16.633 1.0 8.08 ? 71 ALA A N 1 71 . A ATOM 570 C CA . ALA A 1 71 ? 14.857 -0.010 15.276 1.0 8.45 ? 71 ALA A CA 1 71 . A ATOM 571 C C . ALA A 1 71 ? 13.545 0.369 14.644 1.0 8.42 ? 71 ALA A C 1 71 . A ATOM 572 O O . ALA A 1 71 ? 13.498 1.348 13.892 1.0 9.17 ? 71 ALA A O 1 71 . A ATOM 573 C CB . ALA A 1 71 ? 15.658 -0.987 14.362 1.0 9.58 ? 71 ALA A CB 1 71 . A ATOM 574 N N . ASP A 1 72 ? 12.464 -0.351 14.912 1.0 8.27 ? 72 ASP A N 1 72 . A ATOM 575 C CA . ASP A 1 72 ? 11.194 0.049 14.320 1.0 8.01 ? 72 ASP A CA 1 72 . A ATOM 576 C C . ASP A 1 72 ? 10.602 1.222 15.114 1.0 7.68 ? 72 ASP A C 1 72 . A ATOM 577 O O . ASP A 1 72 ? 10.231 1.098 16.302 1.0 8.31 ? 72 ASP A O 1 72 . A ATOM 578 C CB . ASP A 1 72 ? 10.227 -1.134 14.280 1.0 9.38 ? 72 ASP A CB 1 72 . A ATOM 579 C CG . ASP A 1 72 ? 8.969 -0.808 13.540 1.0 10.05 ? 72 ASP A CG 1 72 . A ATOM 580 O OD1 . ASP A 1 72 ? 9.056 -0.575 12.322 1.0 12.38 ? 72 ASP A OD1 1 72 . A ATOM 581 O OD2 . ASP A 1 72 ? 7.906 -0.738 14.172 1.0 11.95 ? 72 ASP A OD2 1 72 . A ATOM 582 N N . ALA A 1 73 ? 10.510 2.371 14.458 1.0 7.24 ? 73 ALA A N 1 73 . A ATOM 583 C CA . ALA A 1 73 ? 10.037 3.558 15.140 1.0 6.92 ? 73 ALA A CA 1 73 . A ATOM 584 C C . ALA A 1 73 ? 8.608 3.426 15.646 1.0 6.75 ? 73 ALA A C 1 73 . A ATOM 585 O O . ALA A 1 73 ? 8.333 3.817 16.778 1.0 5.95 ? 73 ALA A O 1 73 . A ATOM 586 C CB . ALA A 1 73 ? 10.201 4.813 14.229 1.0 7.03 ? 73 ALA A CB 1 73 . A ATOM 587 N N . PRO A 1 74 ? 7.685 2.865 14.844 1.0 7.07 ? 74 PRO A N 1 74 . A ATOM 588 C CA . PRO A 1 74 ? 6.300 2.739 15.348 1.0 7.57 ? 74 PRO A CA 1 74 . A ATOM 589 C C . PRO A 1 74 ? 6.211 1.850 16.590 1.0 6.81 ? 74 PRO A C 1 74 . A ATOM 590 O O . PRO A 1 74 ? 5.455 2.143 17.515 1.0 7.65 ? 74 PRO A O 1 74 . A ATOM 591 C CB . PRO A 1 74 ? 5.520 2.192 14.146 1.0 8.1 ? 74 PRO A CB 1 74 . A ATOM 592 C CG . PRO A 1 74 ? 6.298 2.728 12.984 1.0 9.64 ? 74 PRO A CG 1 74 . A ATOM 593 C CD . PRO A 1 74 ? 7.762 2.575 13.394 1.0 8.21 ? 74 PRO A CD 1 74 . A ATOM 594 N N . THR A 1 75 ? 7.004 0.778 16.621 1.0 7.19 ? 75 THR A N 1 75 . A ATOM 595 C CA . THR A 1 75 ? 7.017 -0.136 17.772 1.0 7.14 ? 75 THR A CA 1 75 . A ATOM 596 C C . THR A 1 75 ? 7.552 0.610 18.995 1.0 6.38 ? 75 THR A C 1 75 . A ATOM 597 O O . THR A 1 75 ? 6.964 0.554 20.088 1.0 6.81 ? 75 THR A O 1 75 . A ATOM 598 C CB . THR A 1 75 ? 7.851 -1.394 17.494 1.0 8.25 ? 75 THR A CB 1 75 . A ATOM 599 O OG1 . THR A 1 75 ? 7.289 -2.057 16.349 1.0 8.31 ? 75 THR A OG1 1 75 . A ATOM 600 C CG2 . THR A 1 75 ? 7.780 -2.350 18.646 1.0 8.72 ? 75 THR A CG2 1 75 . A ATOM 601 N N . THR A 1 76 ? 8.645 1.357 18.814 1.0 6.04 ? 76 THR A N 1 76 . A ATOM 602 C CA . THR A 1 76 ? 9.207 2.145 19.904 1.0 5.55 ? 76 THR A CA 1 76 . A ATOM 603 C C . THR A 1 76 ? 8.180 3.181 20.377 1.0 5.82 ? 76 THR A C 1 76 . A ATOM 604 O O . THR A 1 76 ? 8.047 3.413 21.588 1.0 6.57 ? 76 THR A O 1 76 . A ATOM 605 C CB . THR A 1 76 ? 10.475 2.854 19.427 1.0 5.79 ? 76 THR A CB 1 76 . A ATOM 606 O OG1 . THR A 1 76 ? 11.467 1.845 19.130 1.0 6.22 ? 76 THR A OG1 1 76 . A ATOM 607 C CG2 . THR A 1 76 ? 11.016 3.847 20.512 1.0 6.22 ? 76 THR A CG2 1 76 . A ATOM 608 N N . ALA A 1 77 ? 7.460 3.813 19.458 1.0 6.0 ? 77 ALA A N 1 77 . A ATOM 609 C CA . ALA A 1 77 ? 6.450 4.798 19.840 1.0 6.05 ? 77 ALA A CA 1 77 . A ATOM 610 C C . ALA A 1 77 ? 5.348 4.172 20.703 1.0 5.98 ? 77 ALA A C 1 77 . A ATOM 611 O O . ALA A 1 77 ? 4.858 4.781 21.644 1.0 5.97 ? 77 ALA A O 1 77 . A ATOM 612 C CB . ALA A 1 77 ? 5.852 5.464 18.574 1.0 6.79 ? 77 ALA A CB 1 77 . A ATOM 613 N N . GLY A 1 78 ? 4.926 2.969 20.362 1.0 6.25 ? 78 GLY A N 1 78 . A ATOM 614 C CA . GLY A 1 78 ? 3.887 2.306 21.136 1.0 6.51 ? 78 GLY A CA 1 78 . A ATOM 615 C C . GLY A 1 78 ? 4.363 1.983 22.541 1.0 6.66 ? 78 GLY A C 1 78 . A ATOM 616 O O . GLY A 1 78 ? 3.622 2.168 23.513 1.0 8.15 ? 78 GLY A O 1 78 . A ATOM 617 N N . LEU A 1 79 ? 5.595 1.508 22.666 1.0 6.44 ? 79 LEU A N 1 79 . A ATOM 618 C CA . LEU A 1 79 ? 6.137 1.216 23.991 1.0 7.15 ? 79 LEU A CA 1 79 . A ATOM 619 C C . LEU A 1 79 ? 6.298 2.518 24.785 1.0 6.93 ? 79 LEU A C 1 79 . A ATOM 620 O O . LEU A 1 79 ? 6.049 2.555 25.997 1.0 7.57 ? 79 LEU A O 1 79 . A ATOM 621 C CB . LEU A 1 79 ? 7.496 0.534 23.893 1.0 7.85 ? 79 LEU A CB 1 79 . A ATOM 622 C CG . LEU A 1 79 ? 7.427 -0.874 23.268 1.0 9.11 ? 79 LEU A CG 1 79 . A ATOM 623 C CD1 . LEU A 1 79 ? 8.859 -1.353 23.093 1.0 10.88 ? 79 LEU A CD1 1 79 . A ATOM 624 C CD2 . LEU A 1 79 ? 6.621 -1.860 24.162 1.0 11.35 ? 79 LEU A CD2 1 79 . A ATOM 625 N N . PHE A 1 80 ? 6.704 3.590 24.097 1.0 6.61 ? 80 PHE A N 1 80 . A ATOM 626 C CA . PHE A 1 80 ? 6.874 4.894 24.735 1.0 6.01 ? 80 PHE A CA 1 80 . A ATOM 627 C C . PHE A 1 80 ? 5.523 5.432 25.191 1.0 5.42 ? 80 PHE A C 1 80 . A ATOM 628 O O . PHE A 1 80 ? 5.411 5.960 26.305 1.0 6.26 ? 80 PHE A O 1 80 . A ATOM 629 C CB . PHE A 1 80 ? 7.563 5.858 23.779 1.0 5.97 ? 80 PHE A CB 1 80 . A ATOM 630 C CG . PHE A 1 80 ? 7.810 7.210 24.380 1.0 5.41 ? 80 PHE A CG 1 80 . A ATOM 631 C CD1 . PHE A 1 80 ? 8.617 7.354 25.495 1.0 6.43 ? 80 PHE A CD1 1 80 . A ATOM 632 C CD2 . PHE A 1 80 ? 7.233 8.341 23.821 1.0 4.83 ? 80 PHE A CD2 1 80 . A ATOM 633 C CE1 . PHE A 1 80 ? 8.859 8.633 26.058 1.0 6.42 ? 80 PHE A CE1 1 80 . A ATOM 634 C CE2 . PHE A 1 80 ? 7.472 9.637 24.391 1.0 5.84 ? 80 PHE A CE2 1 80 . A ATOM 635 C CZ . PHE A 1 80 ? 8.281 9.758 25.494 1.0 7.06 ? 80 PHE A CZ 1 80 . A ATOM 636 N N . GLY A 1 81 ? 4.497 5.314 24.355 1.0 5.44 ? 81 GLY A N 1 81 . A ATOM 637 C CA . GLY A 1 81 ? 3.169 5.766 24.753 1.0 7.0 ? 81 GLY A CA 1 81 . A ATOM 638 C C . GLY A 1 81 ? 2.636 5.010 25.964 1.0 7.37 ? 81 GLY A C 1 81 . A ATOM 639 O O . GLY A 1 81 ? 2.005 5.596 26.858 1.0 7.57 ? 81 GLY A O 1 81 . A ATOM 640 N N . ASP A 1 82 ? 2.912 3.715 26.019 1.0 7.26 ? 82 ASP A N 1 82 . A ATOM 641 C CA . ASP A 1 82 ? 2.441 2.905 27.156 1.0 8.27 ? 82 ASP A CA 1 82 . A ATOM 642 C C . ASP A 1 82 ? 3.167 3.396 28.416 1.0 8.39 ? 82 ASP A C 1 82 . A ATOM 643 O O . ASP A 1 82 ? 2.538 3.568 29.477 1.0 8.81 ? 82 ASP A O 1 82 . A ATOM 644 C CB . ASP A 1 82 ? 2.800 1.435 26.937 1.0 10.22 ? 82 ASP A CB 1 82 . A ATOM 645 C CG . ASP A 1 82 ? 1.882 0.745 25.951 1.0 12.84 ? 82 ASP A CG 1 82 . A ATOM 646 O OD1 . ASP A 1 82 ? 2.260 -0.348 25.449 1.0 15.63 ? 82 ASP A OD1 1 82 . A ATOM 647 O OD2 . ASP A 1 82 ? 0.787 1.288 25.693 1.0 14.2 ? 82 ASP A OD2 1 82 . A ATOM 648 N N . TRP A 1 83 ? 4.472 3.618 28.311 1.0 8.02 ? 83 TRP A N 1 83 . A ATOM 649 C CA . TRP A 1 83 ? 5.276 4.056 29.445 1.0 8.66 ? 83 TRP A CA 1 83 . A ATOM 650 C C . TRP A 1 83 ? 4.878 5.484 29.846 1.0 8.43 ? 83 TRP A C 1 83 . A ATOM 651 O O . TRP A 1 83 ? 4.839 5.813 31.041 1.0 9.63 ? 83 TRP A O 1 83 . A ATOM 652 C CB . TRP A 1 83 ? 6.762 3.955 29.102 1.0 8.61 ? 83 TRP A CB 1 83 . A ATOM 653 C CG . TRP A 1 83 ? 7.663 4.412 30.182 1.0 9.24 ? 83 TRP A CG 1 83 . A ATOM 654 C CD1 . TRP A 1 83 ? 8.098 3.695 31.265 1.0 9.36 ? 83 TRP A CD1 1 83 . A ATOM 655 C CD2 . TRP A 1 83 ? 8.201 5.720 30.327 1.0 8.84 ? 83 TRP A CD2 1 83 . A ATOM 656 N NE1 . TRP A 1 83 ? 8.864 4.478 32.068 1.0 10.75 ? 83 TRP A NE1 1 83 . A ATOM 657 C CE2 . TRP A 1 83 ? 8.950 5.734 31.525 1.0 9.73 ? 83 TRP A CE2 1 83 . A ATOM 658 C CE3 . TRP A 1 83 ? 8.122 6.887 29.569 1.0 9.47 ? 83 TRP A CE3 1 83 . A ATOM 659 C CZ2 . TRP A 1 83 ? 9.619 6.888 31.986 1.0 10.02 ? 83 TRP A CZ2 1 83 . A ATOM 660 C CZ3 . TRP A 1 83 ? 8.789 8.032 30.030 1.0 10.43 ? 83 TRP A CZ3 1 83 . A ATOM 661 C CH2 . TRP A 1 83 ? 9.522 8.021 31.224 1.0 9.73 ? 83 TRP A CH2 1 83 . A ATOM 662 N N . ARG A 1 84 ? 4.552 6.328 28.873 1.0 8.18 ? 84 ARG A N 1 84 . A ATOM 663 C CA . ARG A 1 84 ? 4.096 7.679 29.199 1.0 8.2 ? 84 ARG A CA 1 84 . A ATOM 664 C C . ARG A 1 84 ? 2.781 7.623 30.018 1.0 8.48 ? 84 ARG A C 1 84 . A ATOM 665 O O . ARG A 1 84 ? 2.631 8.385 30.994 1.0 8.9 ? 84 ARG A O 1 84 . A ATOM 666 C CB . ARG A 1 84 ? 3.840 8.463 27.914 1.0 8.02 ? 84 ARG A CB 1 84 . A ATOM 667 C CG . ARG A 1 84 ? 3.256 9.818 28.231 1.0 10.01 ? 84 ARG A CG 1 84 . A ATOM 668 C CD . ARG A 1 84 ? 2.640 10.506 27.066 1.0 10.11 ? 84 ARG A CD 1 84 . A ATOM 669 N NE . ARG A 1 84 ? 2.186 11.832 27.474 1.0 9.31 ? 84 ARG A NE 1 84 . A ATOM 670 C CZ . ARG A 1 84 ? 0.967 12.305 27.239 1.0 10.44 ? 84 ARG A CZ 1 84 . A ATOM 671 N NH1 . ARG A 1 84 ? 0.047 11.571 26.620 1.0 9.95 ? 84 ARG A NH1 1 84 . A ATOM 672 N NH2 . ARG A 1 84 ? 0.695 13.548 27.566 1.0 8.09 ? 84 ARG A NH2 1 84 . A ATOM 673 N N . GLU A 1 85 ? 1.841 6.779 29.615 1.0 8.31 ? 85 GLU A N 1 85 . A ATOM 674 C CA . GLU A 1 85 ? 0.573 6.696 30.326 1.0 8.92 ? 85 GLU A CA 1 85 . A ATOM 675 C C . GLU A 1 85 ? 0.752 6.079 31.711 1.0 9.46 ? 85 GLU A C 1 85 . A ATOM 676 O O . GLU A 1 85 ? 0.126 6.543 32.689 1.0 11.07 ? 85 GLU A O 1 85 . A ATOM 677 C CB . GLU A 1 85 ? -0.438 5.850 29.531 1.0 10.26 ? 85 GLU A CB 1 85 . A ATOM 678 C CG . GLU A 1 85 ? -1.864 5.738 30.145 1.0 12.02 ? 85 GLU A CG 1 85 . A ATOM 679 C CD . GLU A 1 85 ? -2.064 4.634 31.222 1.0 14.9 ? 85 GLU A CD 1 85 . A ATOM 680 O OE1 . GLU A 1 85 ? -1.261 3.688 31.345 1.0 13.8 ? 85 GLU A OE1 1 85 . A ATOM 681 O OE2 . GLU A 1 85 ? -3.081 4.732 31.940 1.0 14.86 ? 85 GLU A OE2 1 85 . A ATOM 682 N N . ARG A 1 86 ? 1.642 5.106 31.834 1.0 8.93 ? 86 ARG A N 1 86 . A ATOM 683 C CA . ARG A 1 86 ? 1.810 4.400 33.113 1.0 10.7 ? 86 ARG A CA 1 86 . A ATOM 684 C C . ARG A 1 86 ? 2.714 5.114 34.083 1.0 10.42 ? 86 ARG A C 1 86 . A ATOM 685 O O . ARG A 1 86 ? 2.442 5.159 35.310 1.0 12.78 ? 86 ARG A O 1 86 . A ATOM 686 C CB . ARG A 1 86 ? 2.371 2.996 32.843 1.0 11.2 ? 86 ARG A CB 1 86 . A ATOM 687 C CG . ARG A 1 86 ? 2.579 2.161 34.110 1.0 14.02 ? 86 ARG A CG 1 86 . A ATOM 688 C CD . ARG A 1 86 ? 2.969 0.713 33.784 1.0 15.64 ? 86 ARG A CD 1 86 . A ATOM 689 N NE . ARG A 1 86 ? 4.180 0.622 32.986 1.0 18.82 ? 86 ARG A NE 1 86 . A ATOM 690 C CZ . ARG A 1 86 ? 5.418 0.699 33.466 1.0 19.92 ? 86 ARG A CZ 1 86 . A ATOM 691 N NH1 . ARG A 1 86 ? 5.636 0.869 34.774 1.0 22.62 ? 86 ARG A NH1 1 86 . A ATOM 692 N NH2 . ARG A 1 86 ? 6.448 0.595 32.636 1.0 21.53 ? 86 ARG A NH2 1 86 . A ATOM 693 N N . VAL A 1 87 ? 3.761 5.735 33.563 1.0 10.58 ? 87 VAL A N 1 87 . A ATOM 694 C CA . VAL A 1 87 ? 4.764 6.370 34.396 1.0 10.3 ? 87 VAL A CA 1 87 . A ATOM 695 C C . VAL A 1 87 ? 4.917 7.880 34.245 1.0 11.12 ? 87 VAL A C 1 87 . A ATOM 696 O O . VAL A 1 87 ? 4.727 8.617 35.204 1.0 11.02 ? 87 VAL A O 1 87 . A ATOM 697 C CB . VAL A 1 87 ? 6.161 5.701 34.146 1.0 10.84 ? 87 VAL A CB 1 87 . A ATOM 698 C CG1 . VAL A 1 87 ? 7.266 6.357 34.986 1.0 11.77 ? 87 VAL A CG1 1 87 . A ATOM 699 C CG2 . VAL A 1 87 ? 6.087 4.220 34.452 1.0 11.47 ? 87 VAL A CG2 1 87 . A ATOM 700 N N . LEU A 1 88 ? 5.236 8.347 33.046 1.0 11.26 ? 88 LEU A N 1 88 . A ATOM 701 C CA . LEU A 1 88 ? 5.505 9.779 32.889 1.0 11.0 ? 88 LEU A CA 1 88 . A ATOM 702 C C . LEU A 1 88 ? 4.372 10.729 33.303 1.0 10.08 ? 88 LEU A C 1 88 . A ATOM 703 O O . LEU A 1 88 ? 4.634 11.742 33.950 1.0 11.18 ? 88 LEU A O 1 88 . A ATOM 704 C CB . LEU A 1 88 ? 5.952 10.068 31.454 1.0 12.05 ? 88 LEU A CB 1 88 . A ATOM 705 C CG . LEU A 1 88 ? 6.680 11.397 31.238 1.0 12.59 ? 88 LEU A CG 1 88 . A ATOM 706 C CD1 . LEU A 1 88 ? 8.024 11.420 31.971 1.0 14.8 ? 88 LEU A CD1 1 88 . A ATOM 707 C CD2 . LEU A 1 88 ? 6.864 11.578 29.739 1.0 12.5 ? 88 LEU A CD2 1 88 . A ATOM 708 N N . LEU A 1 89 ? 3.134 10.421 32.927 1.0 9.74 ? 89 LEU A N 1 89 . A ATOM 709 C CA . LEU A 1 89 ? 1.995 11.259 33.293 1.0 9.62 ? 89 LEU A CA 1 89 . A ATOM 710 C C . LEU A 1 89 ? 1.742 11.284 34.790 1.0 11.3 ? 89 LEU A C 1 89 . A ATOM 711 O O . LEU A 1 89 ? 1.113 12.219 35.284 1.0 11.31 ? 89 LEU A O 1 89 . A ATOM 712 C CB . LEU A 1 89 ? 0.730 10.822 32.567 1.0 9.28 ? 89 LEU A CB 1 89 . A ATOM 713 C CG . LEU A 1 89 ? 0.647 11.399 31.143 1.0 9.7 ? 89 LEU A CG 1 89 . A ATOM 714 C CD1 . LEU A 1 89 ? -0.443 10.702 30.351 1.0 10.87 ? 89 LEU A CD1 1 89 . A ATOM 715 C CD2 . LEU A 1 89 ? 0.339 12.898 31.231 1.0 10.39 ? 89 LEU A CD2 1 89 . A ATOM 716 N N . LYS A 1 90 ? 2.217 10.270 35.508 1.0 11.37 ? 90 LYS A N 1 90 . A ATOM 717 C CA . LYS A 1 90 ? 2.058 10.236 36.973 1.0 13.15 ? 90 LYS A CA 1 90 . A ATOM 718 C C . LYS A 1 90 ? 3.111 11.131 37.632 1.0 13.66 ? 90 LYS A C 1 90 . A ATOM 719 O O . LYS A 1 90 ? 2.949 11.534 38.788 1.0 15.12 ? 90 LYS A O 1 90 . A ATOM 720 C CB . LYS A 1 90 ? 2.176 8.797 37.486 1.0 14.29 ? 90 LYS A CB 1 90 . A ATOM 721 C CG . LYS A 1 90 ? 1.074 7.849 37.007 1.0 17.85 ? 90 LYS A CG 1 90 . A ATOM 722 C CD . LYS A 1 90 ? -0.314 8.361 37.321 1.0 21.94 ? 90 LYS A CD 1 90 . A ATOM 723 C CE . LYS A 1 90 ? -1.401 7.358 36.869 1.0 23.36 ? 90 LYS A CE 1 90 . A ATOM 724 N NZ . LYS A 1 90 ? -1.394 7.083 35.406 1.0 24.84 ? 90 LYS A NZ 1 90 . A ATOM 725 N N . LYS A 1 91 ? 4.172 11.465 36.912 1.0 12.75 ? 91 LYS A N 1 91 . A ATOM 726 C CA . LYS A 1 91 ? 5.221 12.327 37.448 1.0 13.9 ? 91 LYS A CA 1 91 . A ATOM 727 C C . LYS A 1 91 ? 4.783 13.785 37.372 1.0 13.0 ? 91 LYS A C 1 91 . A ATOM 728 O O . LYS A 1 91 ? 4.929 14.530 38.338 1.0 14.35 ? 91 LYS A O 1 91 . A ATOM 729 C CB . LYS A 1 91 ? 6.518 12.172 36.662 1.0 15.39 ? 91 LYS A CB 1 91 . A ATOM 730 C CG . LYS A 1 91 ? 7.087 10.768 36.663 1.0 19.11 ? 91 LYS A CG 1 91 . A ATOM 731 C CD . LYS A 1 91 ? 8.586 10.775 36.614 1.0 21.61 ? 91 LYS A CD 1 91 . A ATOM 732 C CE . LYS A 1 91 ? 9.108 11.582 35.439 1.0 22.0 ? 91 LYS A CE 1 91 . A ATOM 733 N NZ . LYS A 1 91 ? 10.589 11.570 35.387 1.0 23.46 ? 91 LYS A NZ 1 91 . A ATOM 734 N N . LYS A 1 92 ? 4.267 14.201 36.219 1.0 11.96 ? 92 LYS A N 1 92 . A ATOM 735 C CA . LYS A 1 92 ? 3.797 15.568 36.040 1.0 11.48 ? 92 LYS A CA 1 92 . A ATOM 736 C C . LYS A 1 92 ? 2.873 15.597 34.846 1.0 10.78 ? 92 LYS A C 1 92 . A ATOM 737 O O . LYS A 1 92 ? 3.190 15.002 33.795 1.0 10.47 ? 92 LYS A O 1 92 . A ATOM 738 C CB . LYS A 1 92 ? 4.976 16.525 35.808 1.0 11.09 ? 92 LYS A CB 1 92 . A ATOM 739 C CG . LYS A 1 92 ? 4.568 17.990 35.871 1.0 11.51 ? 92 LYS A CG 1 92 . A ATOM 740 C CD . LYS A 1 92 ? 5.791 18.922 35.715 1.0 12.25 ? 92 LYS A CD 1 92 . A ATOM 741 C CE . LYS A 1 92 ? 5.388 20.414 35.767 1.0 12.1 ? 92 LYS A CE 1 92 . A ATOM 742 N NZ . LYS A 1 92 ? 6.541 21.281 35.491 1.0 12.84 ? 92 LYS A NZ 1 92 . A ATOM 743 N N . ASN A 1 93 ? 1.738 16.280 34.970 1.0 10.5 ? 93 ASN A N 1 93 . A ATOM 744 C CA . ASN A 1 93 ? 0.821 16.325 33.852 1.0 11.78 ? 93 ASN A CA 1 93 . A ATOM 745 C C . ASN A 1 93 ? 1.388 17.155 32.726 1.0 10.24 ? 93 ASN A C 1 93 . A ATOM 746 O O . ASN A 1 93 ? 2.113 18.110 32.940 1.0 10.76 ? 93 ASN A O 1 93 . A ATOM 747 C CB . ASN A 1 93 ? -0.523 16.892 34.242 1.0 15.53 ? 93 ASN A CB 1 93 . A ATOM 748 C CG . ASN A 1 93 ? -1.521 16.772 33.114 1.0 18.08 ? 93 ASN A CG 1 93 . A ATOM 749 O OD1 . ASN A 1 93 ? -1.673 15.695 32.506 1.0 19.61 ? 93 ASN A OD1 1 93 . A ATOM 750 N ND2 . ASN A 1 93 ? -2.195 17.871 32.804 1.0 20.97 ? 93 ASN A ND2 1 93 . A ATOM 751 N N . HIS A 1 94 ? 1.101 16.712 31.514 1.0 9.17 ? 94 HIS A N 1 94 . A ATOM 752 C CA . HIS A 1 94 ? 1.547 17.403 30.312 1.0 7.43 ? 94 HIS A CA 1 94 . A ATOM 753 C C . HIS A 1 94 ? 0.656 16.909 29.162 1.0 7.1 ? 94 HIS A C 1 94 . A ATOM 754 O O . HIS A 1 94 ? -0.106 15.931 29.298 1.0 6.78 ? 94 HIS A O 1 94 . A ATOM 755 C CB . HIS A 1 94 ? 3.022 17.124 30.041 1.0 7.83 ? 94 HIS A CB 1 94 . A ATOM 756 C CG . HIS A 1 94 ? 3.332 15.670 29.890 1.0 6.72 ? 94 HIS A CG 1 94 . A ATOM 757 N ND1 . HIS A 1 94 ? 3.477 14.819 30.970 1.0 7.99 ? 94 HIS A ND1 1 94 . A ATOM 758 C CD2 . HIS A 1 94 ? 3.493 14.911 28.782 1.0 6.38 ? 94 HIS A CD2 1 94 . A ATOM 759 C CE1 . HIS A 1 94 ? 3.715 13.596 30.524 1.0 8.13 ? 94 HIS A CE1 1 94 . A ATOM 760 N NE2 . HIS A 1 94 ? 3.735 13.625 29.202 1.0 7.36 ? 94 HIS A NE2 1 94 . A ATOM 761 N N . ASP A 1 95 ? 0.772 17.571 28.023 1.0 6.07 ? 95 ASP A N 1 95 . A ATOM 762 C CA . ASP A 1 95 ? -0.096 17.291 26.894 1.0 5.97 ? 95 ASP A CA 1 95 . A ATOM 763 C C . ASP A 1 95 ? 0.390 16.367 25.805 1.0 5.59 ? 95 ASP A C 1 95 . A ATOM 764 O O . ASP A 1 95 ? -0.424 15.739 25.127 1.0 6.03 ? 95 ASP A O 1 95 . A ATOM 765 C CB . ASP A 1 95 ? -0.475 18.609 26.196 1.0 7.08 ? 95 ASP A CB 1 95 . A ATOM 766 C CG . ASP A 1 95 ? -1.132 19.598 27.124 1.0 9.14 ? 95 ASP A CG 1 95 . A ATOM 767 O OD1 . ASP A 1 95 ? -0.832 20.807 26.975 1.0 9.37 ? 95 ASP A OD1 1 95 . A ATOM 768 O OD2 . ASP A 1 95 ? -1.933 19.173 27.982 1.0 10.52 ? 95 ASP A OD2 1 95 . A ATOM 769 N N . HIS A 1 96 ? 1.696 16.340 25.613 1.0 4.75 ? 96 HIS A N 1 96 . A ATOM 770 C CA . HIS A 1 96 ? 2.304 15.577 24.523 1.0 4.9 ? 96 HIS A CA 1 96 . A ATOM 771 C C . HIS A 1 96 ? 3.714 15.300 24.953 1.0 4.47 ? 96 HIS A C 1 96 . A ATOM 772 O O . HIS A 1 96 ? 4.360 16.160 25.572 1.0 5.06 ? 96 HIS A O 1 96 . A ATOM 773 C CB . HIS A 1 96 ? 2.319 16.460 23.253 1.0 4.75 ? 96 HIS A CB 1 96 . A ATOM 774 C CG . HIS A 1 96 ? 2.885 15.791 22.029 1.0 4.42 ? 96 HIS A CG 1 96 . A ATOM 775 N ND1 . HIS A 1 96 ? 4.162 15.990 21.530 1.0 7.95 ? 96 HIS A ND1 1 96 . A ATOM 776 C CD2 . HIS A 1 96 ? 2.279 14.942 21.173 1.0 3.16 ? 96 HIS A CD2 1 96 . A ATOM 777 C CE1 . HIS A 1 96 ? 4.312 15.285 20.412 1.0 3.51 ? 96 HIS A CE1 1 96 . A ATOM 778 N NE2 . HIS A 1 96 ? 3.181 14.640 20.182 1.0 6.54 ? 96 HIS A NE2 1 96 . A ATOM 779 N N . ALA A 1 97 ? 4.226 14.118 24.645 1.0 5.21 ? 97 ALA A N 1 97 . A ATOM 780 C CA . ALA A 1 97 ? 5.605 13.787 24.985 1.0 4.76 ? 97 ALA A CA 1 97 . A ATOM 781 C C . ALA A 1 97 ? 6.375 13.279 23.767 1.0 4.5 ? 97 ALA A C 1 97 . A ATOM 782 O O . ALA A 1 97 ? 5.834 12.518 22.952 1.0 5.1 ? 97 ALA A O 1 97 . A ATOM 783 C CB . ALA A 1 97 ? 5.635 12.679 26.034 1.0 6.06 ? 97 ALA A CB 1 97 . A ATOM 784 N N . GLN A 1 98 ? 7.634 13.702 23.651 1.0 4.56 ? 98 GLN A N 1 98 . A ATOM 785 C CA . GLN A 1 98 ? 8.477 13.173 22.572 1.0 4.2 ? 98 GLN A CA 1 98 . A ATOM 786 C C . GLN A 1 98 ? 9.716 12.518 23.143 1.0 5.02 ? 98 GLN A C 1 98 . A ATOM 787 O O . GLN A 1 98 ? 10.324 13.035 24.096 1.0 5.03 ? 98 GLN A O 1 98 . A ATOM 788 C CB . GLN A 1 98 ? 8.891 14.273 21.607 1.0 4.38 ? 98 GLN A CB 1 98 . A ATOM 789 C CG . GLN A 1 98 ? 7.688 14.981 21.010 1.0 4.6 ? 98 GLN A CG 1 98 . A ATOM 790 C CD . GLN A 1 98 ? 8.011 15.699 19.724 1.0 4.66 ? 98 GLN A CD 1 98 . A ATOM 791 O OE1 . GLN A 1 98 ? 9.186 15.940 19.371 1.0 6.85 ? 98 GLN A OE1 1 98 . A ATOM 792 N NE2 . GLN A 1 98 ? 6.954 16.062 18.996 1.0 4.91 ? 98 GLN A NE2 1 98 . A ATOM 793 N N . LEU A 1 99 ? 10.079 11.376 22.568 1.0 4.95 ? 99 LEU A N 1 99 . A ATOM 794 C CA . LEU A 1 99 ? 11.281 10.657 22.944 1.0 5.46 ? 99 LEU A CA 1 99 . A ATOM 795 C C . LEU A 1 99 ? 12.365 11.035 21.953 1.0 5.35 ? 99 LEU A C 1 99 . A ATOM 796 O O . LEU A 1 99 ? 12.180 10.824 20.755 1.0 5.93 ? 99 LEU A O 1 99 . A ATOM 797 C CB . LEU A 1 99 ? 11.017 9.137 22.861 1.0 6.2 ? 99 LEU A CB 1 99 . A ATOM 798 C CG . LEU A 1 99 ? 12.249 8.270 23.140 1.0 6.93 ? 99 LEU A CG 1 99 . A ATOM 799 C CD1 . LEU A 1 99 ? 12.674 8.370 24.613 1.0 9.02 ? 99 LEU A CD1 1 99 . A ATOM 800 C CD2 . LEU A 1 99 ? 11.888 6.832 22.757 1.0 9.39 ? 99 LEU A CD2 1 99 . A ATOM 801 N N . LEU A 1 100 ? 13.477 11.555 22.433 1.0 5.39 ? 100 LEU A N 1 100 . A ATOM 802 C CA . LEU A 1 100 ? 14.622 11.895 21.592 1.0 5.26 ? 100 LEU A CA 1 100 . A ATOM 803 C C . LEU A 1 100 ? 15.635 10.761 21.781 1.0 5.7 ? 100 LEU A C 1 100 . A ATOM 804 O O . LEU A 1 100 ? 15.984 10.415 22.903 1.0 7.6 ? 100 LEU A O 1 100 . A ATOM 805 C CB . LEU A 1 100 ? 15.247 13.227 22.032 1.0 7.81 ? 100 LEU A CB 1 100 . A ATOM 806 C CG . LEU A 1 100 ? 14.515 14.493 21.629 1.0 9.21 ? 100 LEU A CG 1 100 . A ATOM 807 C CD1 . LEU A 1 100 ? 15.243 15.671 22.271 1.0 11.71 ? 100 LEU A CD1 1 100 . A ATOM 808 C CD2 . LEU A 1 100 ? 14.554 14.678 20.112 1.0 12.75 ? 100 LEU A CD2 1 100 . A ATOM 809 N N . THR A 1 101 ? 16.158 10.251 20.664 1.0 6.25 ? 101 THR A N 1 101 . A ATOM 810 C CA . THR A 1 101 ? 17.072 9.117 20.715 1.0 6.21 ? 101 THR A CA 1 101 . A ATOM 811 C C . THR A 1 101 ? 18.114 9.218 19.625 1.0 6.26 ? 101 THR A C 1 101 . A ATOM 812 O O . THR A 1 101 ? 17.910 9.929 18.636 1.0 6.74 ? 101 THR A O 1 101 . A ATOM 813 C CB . THR A 1 101 ? 16.241 7.807 20.512 1.0 6.89 ? 101 THR A CB 1 101 . A ATOM 814 O OG1 . THR A 1 101 ? 17.098 6.660 20.605 1.0 8.81 ? 101 THR A OG1 1 101 . A ATOM 815 C CG2 . THR A 1 101 ? 15.593 7.778 19.150 1.0 8.07 ? 101 THR A CG2 1 101 . A ATOM 816 N N . ASP A 1 102 ? 19.242 8.521 19.783 1.0 6.08 ? 102 ASP A N 1 102 . A ATOM 817 C CA . ASP A 1 102 ? 20.208 8.486 18.710 1.0 7.0 ? 102 ASP A CA 1 102 . A ATOM 818 C C . ASP A 1 102 ? 20.080 7.189 17.887 1.0 6.28 ? 102 ASP A C 1 102 . A ATOM 819 O O . ASP A 1 102 ? 20.900 6.897 17.023 1.0 8.05 ? 102 ASP A O 1 102 . A ATOM 820 C CB . ASP A 1 102 ? 21.611 8.598 19.270 1.0 8.76 ? 102 ASP A CB 1 102 . A ATOM 821 C CG . ASP A 1 102 ? 22.603 8.873 18.211 1.0 10.99 ? 102 ASP A CG 1 102 . A ATOM 822 O OD1 . ASP A 1 102 ? 23.625 8.172 18.208 1.0 14.59 ? 102 ASP A OD1 1 102 . A ATOM 823 O OD2 . ASP A 1 102 ? 22.375 9.790 17.385 1.0 14.73 ? 102 ASP A OD2 1 102 . A ATOM 824 N N . THR A 1 103 ? 19.050 6.406 18.186 1.0 6.09 ? 103 THR A N 1 103 . A ATOM 825 C CA . THR A 1 103 ? 18.815 5.127 17.503 1.0 6.2 ? 103 THR A CA 1 103 . A ATOM 826 C C . THR A 1 103 ? 18.736 5.271 16.010 1.0 6.68 ? 103 THR A C 1 103 . A ATOM 827 O O . THR A 1 103 ? 18.073 6.151 15.496 1.0 6.47 ? 103 THR A O 1 103 . A ATOM 828 C CB . THR A 1 103 ? 17.491 4.493 18.011 1.0 5.69 ? 103 THR A CB 1 103 . A ATOM 829 O OG1 . THR A 1 103 ? 17.613 4.238 19.415 1.0 7.61 ? 103 THR A OG1 1 103 . A ATOM 830 C CG2 . THR A 1 103 ? 17.163 3.201 17.273 1.0 6.66 ? 103 THR A CG2 1 103 . A ATOM 831 N N . ASN A 1 104 ? 19.438 4.389 15.293 1.0 6.29 ? 104 ASN A N 1 104 . A ATOM 832 C CA . ASN A 1 104 ? 19.379 4.392 13.837 1.0 7.96 ? 104 ASN A CA 1 104 . A ATOM 833 C C . ASN A 1 104 ? 18.094 3.615 13.464 1.0 7.69 ? 104 ASN A C 1 104 . A ATOM 834 O O . ASN A 1 104 ? 18.131 2.403 13.178 1.0 8.06 ? 104 ASN A O 1 104 . A ATOM 835 C CB . ASN A 1 104 ? 20.652 3.692 13.288 1.0 9.12 ? 104 ASN A CB 1 104 . A ATOM 836 C CG . ASN A 1 104 ? 20.825 3.871 11.817 1.0 11.14 ? 104 ASN A CG 1 104 . A ATOM 837 O OD1 . ASN A 1 104 ? 21.771 3.343 11.222 1.0 15.08 ? 104 ASN A OD1 1 104 . A ATOM 838 N ND2 . ASN A 1 104 ? 19.952 4.610 11.219 1.0 11.04 ? 104 ASN A ND2 1 104 . A ATOM 839 N N . PHE A 1 105 ? 16.952 4.293 13.483 1.0 6.32 ? 105 PHE A N 1 105 . A ATOM 840 C CA . PHE A 1 105 ? 15.688 3.654 13.165 1.0 6.26 ? 105 PHE A CA 1 105 . A ATOM 841 C C . PHE A 1 105 ? 15.683 3.072 11.770 1.0 6.61 ? 105 PHE A C 1 105 . A ATOM 842 O O . PHE A 1 105 ? 16.304 3.607 10.837 1.0 7.32 ? 105 PHE A O 1 105 . A ATOM 843 C CB . PHE A 1 105 ? 14.504 4.625 13.266 1.0 7.18 ? 105 PHE A CB 1 105 . A ATOM 844 C CG . PHE A 1 105 ? 14.177 5.093 14.658 1.0 7.11 ? 105 PHE A CG 1 105 . A ATOM 845 C CD1 . PHE A 1 105 ? 14.049 6.460 14.901 1.0 8.81 ? 105 PHE A CD1 1 105 . A ATOM 846 C CD2 . PHE A 1 105 ? 13.873 4.197 15.684 1.0 7.63 ? 105 PHE A CD2 1 105 . A ATOM 847 C CE1 . PHE A 1 105 ? 13.604 6.940 16.150 1.0 9.72 ? 105 PHE A CE1 1 105 . A ATOM 848 C CE2 . PHE A 1 105 ? 13.431 4.691 16.923 1.0 7.19 ? 105 PHE A CE2 1 105 . A ATOM 849 C CZ . PHE A 1 105 ? 13.296 6.059 17.147 1.0 8.81 ? 105 PHE A CZ 1 105 . A ATOM 850 N N . ALA A 1 106 ? 14.940 1.982 11.646 1.0 6.72 ? 106 ALA A N 1 106 . A ATOM 851 C CA . ALA A 1 106 ? 14.779 1.250 10.403 1.0 7.99 ? 106 ALA A CA 1 106 . A ATOM 852 C C . ALA A 1 106 ? 14.155 2.144 9.339 1.0 8.71 ? 106 ALA A C 1 106 . A ATOM 853 O O . ALA A 1 106 ? 13.449 3.116 9.643 1.0 8.01 ? 106 ALA A O 1 106 . A ATOM 854 C CB . ALA A 1 106 ? 13.873 0.060 10.661 1.0 8.24 ? 106 ALA A CB 1 106 . A ATOM 855 N N . ARG A 1 107 ? 14.338 1.749 8.082 1.0 9.18 ? 107 ARG A N 1 107 . A ATOM 856 C CA . ARG A 1 107 ? 13.805 2.479 6.923 1.0 9.88 ? 107 ARG A CA 1 107 . A ATOM 857 C C . ARG A 1 107 ? 14.258 3.935 6.848 1.0 9.28 ? 107 ARG A C 1 107 . A ATOM 858 O O . ARG A 1 107 ? 13.508 4.807 6.392 1.0 9.58 ? 107 ARG A O 1 107 . A ATOM 859 C CB . ARG A 1 107 ? 12.278 2.339 6.881 1.0 11.83 ? 107 ARG A CB 1 107 . A ATOM 860 C CG . ARG A 1 107 ? 11.845 0.894 6.865 1.0 14.83 ? 107 ARG A CG 1 107 . A ATOM 861 C CD . ARG A 1 107 ? 10.378 0.734 6.507 1.0 18.21 ? 107 ARG A CD 1 107 . A ATOM 862 N NE . ARG A 1 107 ? 10.007 1.529 5.338 1.0 22.71 ? 107 ARG A NE 1 107 . A ATOM 863 C CZ . ARG A 1 107 ? 8.752 1.751 4.943 1.0 24.11 ? 107 ARG A CZ 1 107 . A ATOM 864 N NH1 . ARG A 1 107 ? 7.734 1.232 5.623 1.0 25.83 ? 107 ARG A NH1 1 107 . A ATOM 865 N NH2 . ARG A 1 107 ? 8.512 2.511 3.874 1.0 25.96 ? 107 ARG A NH2 1 107 . A ATOM 866 N N . ASN A 1 108 ? 15.473 4.213 7.304 1.0 8.19 ? 108 ASN A N 1 108 . A ATOM 867 C CA . ASN A 1 108 ? 16.043 5.556 7.235 1.0 8.85 ? 108 ASN A CA 1 108 . A ATOM 868 C C . ASN A 1 108 ? 15.036 6.532 7.876 1.0 8.19 ? 108 ASN A C 1 108 . A ATOM 869 O O . ASN A 1 108 ? 14.778 7.631 7.345 1.0 9.07 ? 108 ASN A O 1 108 . A ATOM 870 C CB . ASN A 1 108 ? 16.277 5.911 5.745 1.0 10.64 ? 108 ASN A CB 1 108 . A ATOM 871 C CG . ASN A 1 108 ? 17.249 7.032 5.548 1.0 12.49 ? 108 ASN A CG 1 108 . A ATOM 872 O OD1 . ASN A 1 108 ? 17.227 7.687 4.491 1.0 15.71 ? 108 ASN A OD1 1 108 . A ATOM 873 N ND2 . ASN A 1 108 ? 18.128 7.260 6.515 1.0 13.95 ? 108 ASN A ND2 1 108 . A ATOM 874 N N . THR A 1 109 ? 14.485 6.153 9.028 1.0 6.48 ? 109 THR A N 1 109 . A ATOM 875 C CA . THR A 1 109 ? 13.453 6.976 9.679 1.0 6.37 ? 109 THR A CA 1 109 . A ATOM 876 C C . THR A 1 109 ? 14.044 7.932 10.694 1.0 6.3 ? 109 THR A C 1 109 . A ATOM 877 O O . THR A 1 109 ? 14.878 7.554 11.509 1.0 6.74 ? 109 THR A O 1 109 . A ATOM 878 C CB . THR A 1 109 ? 12.446 6.063 10.384 1.0 5.17 ? 109 THR A CB 1 109 . A ATOM 879 O OG1 . THR A 1 109 ? 11.758 5.296 9.386 1.0 6.94 ? 109 THR A OG1 1 109 . A ATOM 880 C CG2 . THR A 1 109 ? 11.397 6.853 11.189 1.0 6.88 ? 109 THR A CG2 1 109 . A ATOM 881 N N . ILE A 1 110 ? 13.630 9.196 10.627 1.0 5.33 ? 110 ILE A N 1 110 . A ATOM 882 C CA . ILE A 1 110 ? 14.120 10.200 11.558 1.0 4.77 ? 110 ILE A CA 1 110 . A ATOM 883 C C . ILE A 1 110 ? 13.067 10.681 12.562 1.0 4.73 ? 110 ILE A C 1 110 . A ATOM 884 O O . ILE A 1 110 ? 13.391 11.420 13.505 1.0 4.37 ? 110 ILE A O 1 110 . A ATOM 885 C CB . ILE A 1 110 ? 14.737 11.406 10.810 1.0 5.64 ? 110 ILE A CB 1 110 . A ATOM 886 C CG1 . ILE A 1 110 ? 13.698 12.028 9.869 1.0 5.5 ? 110 ILE A CG1 1 110 . A ATOM 887 C CG2 . ILE A 1 110 ? 16.004 10.935 10.074 1.0 7.18 ? 110 ILE A CG2 1 110 . A ATOM 888 C CD1 . ILE A 1 110 ? 14.148 13.412 9.264 1.0 7.25 ? 110 ILE A CD1 1 110 . A ATOM 889 N N . GLY A 1 111 ? 11.812 10.271 12.349 1.0 4.28 ? 111 GLY A N 1 111 . A ATOM 890 C CA . GLY A 1 111 ? 10.750 10.620 13.275 1.0 4.58 ? 111 GLY A CA 1 111 . A ATOM 891 C C . GLY A 1 111 ? 9.456 9.911 12.936 1.0 4.73 ? 111 GLY A C 1 111 . A ATOM 892 O O . GLY A 1 111 ? 9.267 9.495 11.785 1.0 4.91 ? 111 GLY A O 1 111 . A ATOM 893 N N . TRP A 1 112 ? 8.586 9.740 13.931 1.0 4.02 ? 112 TRP A N 1 112 . A ATOM 894 C CA . TRP A 1 112 ? 7.285 9.103 13.718 1.0 4.47 ? 112 TRP A CA 1 112 . A ATOM 895 C C . TRP A 1 112 ? 6.324 9.519 14.825 1.0 4.82 ? 112 TRP A C 1 112 . A ATOM 896 O O . TRP A 1 112 ? 6.736 9.735 15.973 1.0 5.88 ? 112 TRP A O 1 112 . A ATOM 897 C CB . TRP A 1 112 ? 7.454 7.573 13.731 1.0 5.77 ? 112 TRP A CB 1 112 . A ATOM 898 C CG . TRP A 1 112 ? 6.241 6.825 13.225 1.0 6.59 ? 112 TRP A CG 1 112 . A ATOM 899 C CD1 . TRP A 1 112 ? 5.978 6.477 11.924 1.0 8.76 ? 112 TRP A CD1 1 112 . A ATOM 900 C CD2 . TRP A 1 112 ? 5.134 6.379 13.995 1.0 7.88 ? 112 TRP A CD2 1 112 . A ATOM 901 N NE1 . TRP A 1 112 ? 4.761 5.835 11.846 1.0 10.62 ? 112 TRP A NE1 1 112 . A ATOM 902 C CE2 . TRP A 1 112 ? 4.226 5.763 13.106 1.0 9.29 ? 112 TRP A CE2 1 112 . A ATOM 903 C CE3 . TRP A 1 112 ? 4.813 6.441 15.355 1.0 8.09 ? 112 TRP A CE3 1 112 . A ATOM 904 C CZ2 . TRP A 1 112 ? 3.014 5.206 13.532 1.0 10.3 ? 112 TRP A CZ2 1 112 . A ATOM 905 C CZ3 . TRP A 1 112 ? 3.605 5.891 15.779 1.0 8.56 ? 112 TRP A CZ3 1 112 . A ATOM 906 C CH2 . TRP A 1 112 ? 2.725 5.283 14.871 1.0 10.0 ? 112 TRP A CH2 1 112 . A ATOM 907 N N . ALA A 1 113 ? 5.042 9.641 14.496 1.0 4.46 ? 113 ALA A N 1 113 . A ATOM 908 C CA . ALA A 1 113 ? 4.065 9.981 15.511 1.0 5.42 ? 113 ALA A CA 1 113 . A ATOM 909 C C . ALA A 1 113 ? 2.697 9.473 15.061 1.0 5.71 ? 113 ALA A C 1 113 . A ATOM 910 O O . ALA A 1 113 ? 2.485 9.161 13.903 1.0 7.58 ? 113 ALA A O 1 113 . A ATOM 911 C CB . ALA A 1 113 ? 3.996 11.516 15.678 1.0 6.47 ? 113 ALA A CB 1 113 . A ATOM 912 N N . TYR A 1 114 ? 1.775 9.412 16.013 1.0 5.58 ? 114 TYR A N 1 114 . A ATOM 913 C CA . TYR A 1 114 ? 0.379 9.045 15.703 1.0 5.96 ? 114 TYR A CA 1 114 . A ATOM 914 C C . TYR A 1 114 ? -0.293 10.301 15.142 1.0 7.1 ? 114 TYR A C 1 114 . A ATOM 915 O O . TYR A 1 114 ? -0.028 11.421 15.582 1.0 7.19 ? 114 TYR A O 1 114 . A ATOM 916 C CB . TYR A 1 114 ? -0.345 8.632 16.979 1.0 6.19 ? 114 TYR A CB 1 114 . A ATOM 917 C CG . TYR A 1 114 ? 0.219 7.394 17.600 1.0 6.37 ? 114 TYR A CG 1 114 . A ATOM 918 C CD1 . TYR A 1 114 ? -0.124 6.126 17.107 1.0 7.94 ? 114 TYR A CD1 1 114 . A ATOM 919 C CD2 . TYR A 1 114 ? 1.129 7.473 18.653 1.0 6.81 ? 114 TYR A CD2 1 114 . A ATOM 920 C CE1 . TYR A 1 114 ? 0.447 4.959 17.662 1.0 8.67 ? 114 TYR A CE1 1 114 . A ATOM 921 C CE2 . TYR A 1 114 ? 1.692 6.318 19.224 1.0 7.13 ? 114 TYR A CE2 1 114 . A ATOM 922 C CZ . TYR A 1 114 ? 1.334 5.071 18.708 1.0 8.45 ? 114 TYR A CZ 1 114 . A ATOM 923 O OH . TYR A 1 114 ? 1.885 3.940 19.285 1.0 10.53 ? 114 TYR A OH 1 114 . A ATOM 924 N N . VAL A 1 115 ? -1.199 10.115 14.200 1.0 7.68 ? 115 VAL A N 1 115 . A ATOM 925 C CA . VAL A 1 115 ? -1.898 11.229 13.615 1.0 7.62 ? 115 VAL A CA 1 115 . A ATOM 926 C C . VAL A 1 115 ? -3.176 11.608 14.334 1.0 7.56 ? 115 VAL A C 1 115 . A ATOM 927 O O . VAL A 1 115 ? -4.036 10.750 14.609 1.0 8.19 ? 115 VAL A O 1 115 . A ATOM 928 C CB . VAL A 1 115 ? -2.273 10.945 12.146 1.0 8.68 ? 115 VAL A CB 1 115 . A ATOM 929 C CG1 . VAL A 1 115 ? -3.057 12.106 11.572 1.0 10.38 ? 115 VAL A CG1 1 115 . A ATOM 930 C CG2 . VAL A 1 115 ? -0.999 10.686 11.363 1.0 9.94 ? 115 VAL A CG2 1 115 . A ATOM 931 N N . GLY A 1 116 ? -3.272 12.879 14.688 1.0 6.99 ? 116 GLY A N 1 116 . A ATOM 932 C CA . GLY A 1 116 ? -4.491 13.416 15.261 1.0 7.47 ? 116 GLY A CA 1 116 . A ATOM 933 C C . GLY A 1 116 ? -4.854 12.978 16.647 1.0 7.94 ? 116 GLY A C 1 116 . A ATOM 934 O O . GLY A 1 116 ? -6.037 13.061 16.986 1.0 10.25 ? 116 GLY A O 1 116 . A ATOM 935 N N . ARG A 1 117 ? -3.879 12.584 17.459 1.0 7.31 ? 117 ARG A N 1 117 . A ATOM 936 C CA . ARG A 1 117 ? -4.199 12.113 18.801 1.0 7.62 ? 117 ARG A CA 1 117 . A ATOM 937 C C . ARG A 1 117 ? -3.681 13.013 19.934 1.0 7.04 ? 117 ARG A C 1 117 . A ATOM 938 O O . ARG A 1 117 ? -3.477 12.557 21.064 1.0 6.32 ? 117 ARG A O 1 117 . A ATOM 939 C CB . ARG A 1 117 ? -3.693 10.675 18.993 1.0 8.92 ? 117 ARG A CB 1 117 . A ATOM 940 C CG . ARG A 1 117 ? -4.257 9.628 18.004 1.0 11.95 ? 117 ARG A CG 1 117 . A ATOM 941 C CD . ARG A 1 117 ? -5.749 9.717 17.804 1.0 16.96 ? 117 ARG A CD 1 117 . A ATOM 942 N NE . ARG A 1 117 ? -6.356 8.409 17.569 1.0 22.78 ? 117 ARG A NE 1 117 . A ATOM 943 C CZ . ARG A 1 117 ? -6.575 7.536 18.552 1.0 24.13 ? 117 ARG A CZ 1 117 . A ATOM 944 N NH1 . ARG A 1 117 ? -6.237 7.864 19.785 1.0 25.45 ? 117 ARG A NH1 1 117 . A ATOM 945 N NH2 . ARG A 1 117 ? -7.121 6.360 18.312 1.0 26.25 ? 117 ARG A NH2 1 117 . A ATOM 946 N N . MET A 1 118 ? -3.461 14.287 19.637 1.0 5.94 ? 118 MET A N 1 118 . A ATOM 947 C CA . MET A 1 118 ? -3.041 15.232 20.672 1.0 6.27 ? 118 MET A CA 1 118 . A ATOM 948 C C . MET A 1 118 ? -3.967 15.108 21.898 1.0 6.67 ? 118 MET A C 1 118 . A ATOM 949 O O . MET A 1 118 ? -5.191 15.067 21.764 1.0 8.4 ? 118 MET A O 1 118 . A ATOM 950 C CB . MET A 1 118 ? -3.107 16.650 20.082 1.0 6.4 ? 118 MET A CB 1 118 . A ATOM 951 C CG . MET A 1 118 ? -2.857 17.762 21.110 1.0 6.38 ? 118 MET A CG 1 118 . A ATOM 952 S SD . MET A 1 118 ? -1.226 17.694 21.930 1.0 6.81 ? 118 MET A SD 1 118 . A ATOM 953 C CE . MET A 1 118 ? -0.059 17.751 20.488 1.0 7.13 ? 118 MET A CE 1 118 . A ATOM 954 N N . CYS A 1 119 ? -3.341 15.045 23.069 1.0 6.41 ? 119 CYS A N 1 119 . A ATOM 955 C CA . CYS A 1 119 ? -3.964 14.930 24.402 1.0 7.52 ? 119 CYS A CA 1 119 . A ATOM 956 C C . CYS A 1 119 ? -4.265 13.513 24.845 1.0 7.47 ? 119 CYS A C 1 119 . A ATOM 957 O O . CYS A 1 119 ? -4.448 13.306 26.025 1.0 8.72 ? 119 CYS A O 1 119 . A ATOM 958 C CB . CYS A 1 119 ? -5.244 15.750 24.561 1.0 7.93 ? 119 CYS A CB 1 119 . A ATOM 959 S SG . CYS A 1 119 ? -4.993 17.539 24.365 1.0 10.93 ? 119 CYS A SG 1 119 . A ATOM 960 N N . ASP A 1 120 ? -4.282 12.554 23.924 1.0 7.09 ? 120 ASP A N 1 120 . A ATOM 961 C CA . ASP A 1 120 ? -4.572 11.162 24.307 1.0 7.77 ? 120 ASP A CA 1 120 . A ATOM 962 C C . ASP A 1 120 ? -3.453 10.651 25.205 1.0 7.56 ? 120 ASP A C 1 120 . A ATOM 963 O O . ASP A 1 120 ? -2.278 10.869 24.920 1.0 7.77 ? 120 ASP A O 1 120 . A ATOM 964 C CB . ASP A 1 120 ? -4.686 10.288 23.071 1.0 9.42 ? 120 ASP A CB 1 120 . A ATOM 965 C CG . ASP A 1 120 ? -5.126 8.895 23.399 1.0 12.4 ? 120 ASP A CG 1 120 . A ATOM 966 O OD1 . ASP A 1 120 ? -4.286 8.086 23.820 1.0 11.56 ? 120 ASP A OD1 1 120 . A ATOM 967 O OD2 . ASP A 1 120 ? -6.340 8.638 23.268 1.0 15.7 ? 120 ASP A OD2 1 120 . A ATOM 968 N N . GLU A 1 121 ? -3.800 9.989 26.306 1.0 8.0 ? 121 GLU A N 1 121 . A ATOM 969 C CA . GLU A 1 121 ? -2.766 9.543 27.226 1.0 8.34 ? 121 GLU A CA 1 121 . A ATOM 970 C C . GLU A 1 121 ? -1.694 8.640 26.624 1.0 8.4 ? 121 GLU A C 1 121 . A ATOM 971 O O . GLU A 1 121 ? -0.521 8.753 26.971 1.0 9.85 ? 121 GLU A O 1 121 . A ATOM 972 C CB . GLU A 1 121 ? -3.348 8.786 28.419 1.0 9.86 ? 121 GLU A CB 1 121 . A ATOM 973 C CG . GLU A 1 121 ? -4.161 9.563 29.396 1.0 13.96 ? 121 GLU A CG 1 121 . A ATOM 974 C CD . GLU A 1 121 ? -4.535 8.663 30.569 1.0 16.66 ? 121 GLU A CD 1 121 . A ATOM 975 O OE1 . GLU A 1 121 ? -5.222 7.648 30.337 1.0 19.23 ? 121 GLU A OE1 1 121 . A ATOM 976 O OE2 . GLU A 1 121 ? -4.096 8.955 31.696 1.0 21.76 ? 121 GLU A OE2 1 121 . A ATOM 977 N N . LYS A 1 122 ? -2.089 7.713 25.759 1.0 8.03 ? 122 LYS A N 1 122 . A ATOM 978 C CA . LYS A 1 122 ? -1.118 6.832 25.145 1.0 8.54 ? 122 LYS A CA 1 122 . A ATOM 979 C C . LYS A 1 122 ? -0.647 7.307 23.769 1.0 7.68 ? 122 LYS A C 1 122 . A ATOM 980 O O . LYS A 1 122 ? 0.471 6.967 23.372 1.0 9.54 ? 122 LYS A O 1 122 . A ATOM 981 C CB . LYS A 1 122 ? -1.762 5.445 24.947 1.0 10.28 ? 122 LYS A CB 1 122 . A ATOM 982 C CG . LYS A 1 122 ? -0.902 4.463 24.180 1.0 15.46 ? 122 LYS A CG 1 122 . A ATOM 983 C CD . LYS A 1 122 ? -1.488 3.059 24.153 1.0 17.51 ? 122 LYS A CD 1 122 . A ATOM 984 C CE . LYS A 1 122 ? -0.944 2.260 22.974 1.0 19.08 ? 122 LYS A CE 1 122 . A ATOM 985 N NZ . LYS A 1 122 ? 0.459 2.018 23.092 1.0 17.94 ? 122 LYS A NZ 1 122 . A ATOM 986 N N . TYR A 1 123 ? -1.473 8.072 23.051 1.0 7.26 ? 123 TYR A N 1 123 . A ATOM 987 C CA . TYR A 1 123 ? -1.137 8.423 21.678 1.0 7.06 ? 123 TYR A CA 1 123 . A ATOM 988 C C . TYR A 1 123 ? -0.653 9.829 21.392 1.0 5.89 ? 123 TYR A C 1 123 . A ATOM 989 O O . TYR A 1 123 ? -0.354 10.154 20.236 1.0 5.85 ? 123 TYR A O 1 123 . A ATOM 990 C CB . TYR A 1 123 ? -2.300 8.046 20.763 1.0 9.03 ? 123 TYR A CB 1 123 . A ATOM 991 C CG . TYR A 1 123 ? -2.619 6.563 20.844 1.0 11.2 ? 123 TYR A CG 1 123 . A ATOM 992 C CD1 . TYR A 1 123 ? -3.795 6.100 21.441 1.0 13.43 ? 123 TYR A CD1 1 123 . A ATOM 993 C CD2 . TYR A 1 123 ? -1.733 5.627 20.317 1.0 13.26 ? 123 TYR A CD2 1 123 . A ATOM 994 C CE1 . TYR A 1 123 ? -4.063 4.707 21.498 1.0 16.4 ? 123 TYR A CE1 1 123 . A ATOM 995 C CE2 . TYR A 1 123 ? -1.993 4.256 20.363 1.0 15.89 ? 123 TYR A CE2 1 123 . A ATOM 996 C CZ . TYR A 1 123 ? -3.156 3.809 20.955 1.0 16.43 ? 123 TYR A CZ 1 123 . A ATOM 997 O OH . TYR A 1 123 ? -3.396 2.439 20.964 1.0 18.91 ? 123 TYR A OH 1 123 . A ATOM 998 N N . SER A 1 124 ? -0.619 10.667 22.417 1.0 5.64 ? 124 SER A N 1 124 . A ATOM 999 C CA . SER A 1 124 ? -0.058 12.019 22.237 1.0 4.77 ? 124 SER A CA 1 124 . A ATOM 1000 C C . SER A 1 124 ? 1.476 11.955 22.424 1.0 4.6 ? 124 SER A C 1 124 . A ATOM 1001 O O . SER A 1 124 ? 2.052 12.504 23.390 1.0 4.88 ? 124 SER A O 1 124 . A ATOM 1002 C CB . SER A 1 124 ? -0.649 12.967 23.257 1.0 5.45 ? 124 SER A CB 1 124 . A ATOM 1003 O OG . SER A 1 124 ? -0.395 14.313 22.845 1.0 5.49 ? 124 SER A OG 1 124 . A ATOM 1004 N N . VAL A 1 125 ? 2.108 11.233 21.495 1.0 5.0 ? 125 VAL A N 1 125 . A ATOM 1005 C CA . VAL A 1 125 ? 3.548 11.054 21.555 1.0 5.18 ? 125 VAL A CA 1 125 . A ATOM 1006 C C . VAL A 1 125 ? 4.162 11.007 20.181 1.0 5.24 ? 125 VAL A C 1 125 . A ATOM 1007 O O . VAL A 1 125 ? 3.467 10.775 19.177 1.0 6.27 ? 125 VAL A O 1 125 . A ATOM 1008 C CB . VAL A 1 125 ? 3.953 9.706 22.266 1.0 5.41 ? 125 VAL A CB 1 125 . A ATOM 1009 C CG1 . VAL A 1 125 ? 3.439 9.689 23.705 1.0 6.06 ? 125 VAL A CG1 1 125 . A ATOM 1010 C CG2 . VAL A 1 125 ? 3.435 8.486 21.495 1.0 5.54 ? 125 VAL A CG2 1 125 . A ATOM 1011 N N . ALA A 1 126 ? 5.483 11.224 20.167 1.0 5.06 ? 126 ALA A N 1 126 . A ATOM 1012 C CA . ALA A 1 126 ? 6.294 11.096 18.969 1.0 4.98 ? 126 ALA A CA 1 126 . A ATOM 1013 C C . ALA A 1 126 ? 7.655 10.550 19.382 1.0 4.25 ? 126 ALA A C 1 126 . A ATOM 1014 O O . ALA A 1 126 ? 8.046 10.669 20.551 1.0 4.46 ? 126 ALA A O 1 126 . A ATOM 1015 C CB . ALA A 1 126 ? 6.504 12.448 18.289 1.0 5.83 ? 126 ALA A CB 1 126 . A ATOM 1016 N N . VAL A 1 127 ? 8.356 9.939 18.425 1.0 4.01 ? 127 VAL A N 1 127 . A ATOM 1017 C CA . VAL A 1 127 ? 9.734 9.513 18.648 1.0 4.56 ? 127 VAL A CA 1 127 . A ATOM 1018 C C . VAL A 1 127 ? 10.549 10.236 17.584 1.0 3.98 ? 127 VAL A C 1 127 . A ATOM 1019 O O . VAL A 1 127 ? 10.106 10.334 16.420 1.0 4.81 ? 127 VAL A O 1 127 . A ATOM 1020 C CB . VAL A 1 127 ? 9.906 7.971 18.609 1.0 5.23 ? 127 VAL A CB 1 127 . A ATOM 1021 C CG1 . VAL A 1 127 ? 9.020 7.339 19.664 1.0 6.6 ? 127 VAL A CG1 1 127 . A ATOM 1022 C CG2 . VAL A 1 127 ? 9.572 7.399 17.230 1.0 6.69 ? 127 VAL A CG2 1 127 . A ATOM 1023 N N . VAL A 1 128 ? 11.705 10.768 17.969 1.0 4.5 ? 128 VAL A N 1 128 . A ATOM 1024 C CA . VAL A 1 128 ? 12.500 11.566 17.050 1.0 4.44 ? 128 VAL A CA 1 128 . A ATOM 1025 C C . VAL A 1 128 ? 13.974 11.237 17.202 1.0 4.46 ? 128 VAL A C 1 128 . A ATOM 1026 O O . VAL A 1 128 ? 14.489 11.145 18.315 1.0 4.82 ? 128 VAL A O 1 128 . A ATOM 1027 C CB . VAL A 1 128 ? 12.277 13.092 17.354 1.0 4.82 ? 128 VAL A CB 1 128 . A ATOM 1028 C CG1 . VAL A 1 128 ? 13.281 13.964 16.522 1.0 5.83 ? 128 VAL A CG1 1 128 . A ATOM 1029 C CG2 . VAL A 1 128 ? 10.835 13.486 17.044 1.0 6.57 ? 128 VAL A CG2 1 128 . A ATOM 1030 N N . LYS A 1 129 ? 14.646 11.042 16.075 1.0 4.74 ? 129 LYS A N 1 129 . A ATOM 1031 C CA . LYS A 1 129 ? 16.046 10.755 16.071 1.0 4.63 ? 129 LYS A CA 1 129 . A ATOM 1032 C C . LYS A 1 129 ? 16.821 12.062 16.106 1.0 4.96 ? 129 LYS A C 1 129 . A ATOM 1033 O O . LYS A 1 129 ? 16.475 12.986 15.380 1.0 6.42 ? 129 LYS A O 1 129 . A ATOM 1034 C CB . LYS A 1 129 ? 16.388 9.999 14.780 1.0 5.03 ? 129 LYS A CB 1 129 . A ATOM 1035 C CG . LYS A 1 129 ? 17.851 9.563 14.718 1.0 6.18 ? 129 LYS A CG 1 129 . A ATOM 1036 C CD . LYS A 1 129 ? 18.165 8.856 13.409 1.0 7.14 ? 129 LYS A CD 1 129 . A ATOM 1037 C CE . LYS A 1 129 ? 19.579 8.344 13.386 1.0 8.98 ? 129 LYS A CE 1 129 . A ATOM 1038 N NZ . LYS A 1 129 ? 19.907 7.650 12.087 1.0 10.92 ? 129 LYS A NZ 1 129 . A ATOM 1039 N N . ASP A 1 130 ? 17.859 12.129 16.949 1.0 4.81 ? 130 ASP A N 1 130 . A ATOM 1040 C CA . ASP A 1 130 ? 18.733 13.322 17.017 1.0 5.84 ? 130 ASP A CA 1 130 . A ATOM 1041 C C . ASP A 1 130 ? 19.680 13.143 15.816 1.0 6.47 ? 130 ASP A C 1 130 . A ATOM 1042 O O . ASP A 1 130 ? 20.859 12.807 15.957 1.0 9.17 ? 130 ASP A O 1 130 . A ATOM 1043 C CB . ASP A 1 130 ? 19.495 13.266 18.344 1.0 7.07 ? 130 ASP A CB 1 130 . A ATOM 1044 C CG . ASP A 1 130 ? 20.278 14.518 18.604 1.0 8.05 ? 130 ASP A CG 1 130 . A ATOM 1045 O OD1 . ASP A 1 130 ? 21.472 14.377 18.931 1.0 10.36 ? 130 ASP A OD1 1 130 . A ATOM 1046 O OD2 . ASP A 1 130 ? 19.713 15.621 18.497 1.0 8.93 ? 130 ASP A OD2 1 130 . A ATOM 1047 N N . HIS A 1 131 ? 19.126 13.375 14.624 1.0 6.28 ? 131 HIS A N 1 131 . A ATOM 1048 C CA . HIS A 1 131 ? 19.790 13.050 13.350 1.0 6.19 ? 131 HIS A CA 1 131 . A ATOM 1049 C C . HIS A 1 131 ? 20.672 14.072 12.672 1.0 7.27 ? 131 HIS A C 1 131 . A ATOM 1050 O O . HIS A 1 131 ? 21.087 13.862 11.510 1.0 8.77 ? 131 HIS A O 1 131 . A ATOM 1051 C CB . HIS A 1 131 ? 18.725 12.594 12.351 1.0 6.37 ? 131 HIS A CB 1 131 . A ATOM 1052 C CG . HIS A 1 131 ? 17.800 13.688 11.922 1.0 6.11 ? 131 HIS A CG 1 131 . A ATOM 1053 N ND1 . HIS A 1 131 ? 18.074 14.508 10.840 1.0 6.37 ? 131 HIS A ND1 1 131 . A ATOM 1054 C CD2 . HIS A 1 131 ? 16.617 14.103 12.439 1.0 6.63 ? 131 HIS A CD2 1 131 . A ATOM 1055 C CE1 . HIS A 1 131 ? 17.081 15.386 10.724 1.0 5.83 ? 131 HIS A CE1 1 131 . A ATOM 1056 N NE2 . HIS A 1 131 ? 16.188 15.157 11.680 1.0 7.16 ? 131 HIS A NE2 1 131 . A ATOM 1057 N N . SER A 1 132 ? 20.969 15.157 13.367 1.0 6.56 ? 132 SER A N 1 132 . A ATOM 1058 C CA . SER A 1 132 ? 21.828 16.206 12.813 1.0 7.7 ? 132 SER A CA 1 132 . A ATOM 1059 C C . SER A 1 132 ? 22.464 16.972 13.955 1.0 8.74 ? 132 SER A C 1 132 . A ATOM 1060 O O . SER A 1 132 ? 21.881 17.092 15.022 1.0 8.52 ? 132 SER A O 1 132 . A ATOM 1061 C CB . SER A 1 132 ? 20.978 17.194 12.017 1.0 7.12 ? 132 SER A CB 1 132 . A ATOM 1062 O OG . SER A 1 132 ? 21.756 18.286 11.490 1.0 8.56 ? 132 SER A OG 1 132 . A ATOM 1063 N N . SER A 1 133 ? 23.653 17.514 13.718 1.0 10.34 ? 133 SER A N 1 133 . A ATOM 1064 C CA . SER A 1 133 ? 24.280 18.336 14.725 1.0 11.16 ? 133 SER A CA 1 133 . A ATOM 1065 C C . SER A 1 133 ? 23.532 19.672 14.721 1.0 10.53 ? 133 SER A C 1 133 . A ATOM 1066 O O . SER A 1 133 ? 23.592 20.379 15.724 1.0 13.24 ? 133 SER A O 1 133 . A ATOM 1067 C CB . SER A 1 133 ? 25.767 18.555 14.393 1.0 12.63 ? 133 SER A CB 1 133 . A ATOM 1068 O OG . SER A 1 133 ? 25.927 19.086 13.108 1.0 14.47 ? 133 SER A OG 1 133 . A ATOM 1069 N N . LYS A 1 134 ? 22.834 20.014 13.632 1.0 9.66 ? 134 LYS A N 1 134 . A ATOM 1070 C CA . LYS A 1 134 ? 22.094 21.290 13.543 1.0 9.45 ? 134 LYS A CA 1 134 . A ATOM 1071 C C . LYS A 1 134 ? 20.788 21.173 14.318 1.0 7.53 ? 134 LYS A C 1 134 . A ATOM 1072 O O . LYS A 1 134 ? 19.876 20.418 13.938 1.0 8.16 ? 134 LYS A O 1 134 . A ATOM 1073 C CB . LYS A 1 134 ? 21.773 21.618 12.090 1.0 11.24 ? 134 LYS A CB 1 134 . A ATOM 1074 C CG . LYS A 1 134 ? 23.010 21.794 11.187 1.0 13.1 ? 134 LYS A CG 1 134 . A ATOM 1075 C CD . LYS A 1 134 ? 22.594 22.087 9.770 1.0 16.4 ? 134 LYS A CD 1 134 . A ATOM 1076 C CE . LYS A 1 134 ? 23.805 22.276 8.881 1.0 18.96 ? 134 LYS A CE 1 134 . A ATOM 1077 N NZ . LYS A 1 134 ? 23.389 22.461 7.473 1.0 22.66 ? 134 LYS A NZ 1 134 . A ATOM 1078 N N . VAL A 1 135 ? 20.716 21.911 15.408 1.0 6.6 ? 135 VAL A N 1 135 . A ATOM 1079 C CA . VAL A 1 135 ? 19.535 21.925 16.261 1.0 6.11 ? 135 VAL A CA 1 135 . A ATOM 1080 C C . VAL A 1 135 ? 18.259 22.154 15.464 1.0 5.61 ? 135 VAL A C 1 135 . A ATOM 1081 O O . VAL A 1 135 ? 17.256 21.459 15.698 1.0 5.47 ? 135 VAL A O 1 135 . A ATOM 1082 C CB . VAL A 1 135 ? 19.672 23.020 17.340 1.0 7.68 ? 135 VAL A CB 1 135 . A ATOM 1083 C CG1 . VAL A 1 135 ? 18.384 23.205 18.122 1.0 8.44 ? 135 VAL A CG1 1 135 . A ATOM 1084 C CG2 . VAL A 1 135 ? 20.812 22.656 18.278 1.0 10.37 ? 135 VAL A CG2 1 135 . A ATOM 1085 N N . PHE A 1 136 ? 18.285 23.070 14.508 1.0 5.27 ? 136 PHE A N 1 136 . A ATOM 1086 C CA . PHE A 1 136 ? 17.060 23.321 13.783 1.0 4.96 ? 136 PHE A CA 1 136 . A ATOM 1087 C C . PHE A 1 136 ? 16.570 22.098 13.020 1.0 5.3 ? 136 PHE A C 1 136 . A ATOM 1088 O O . PHE A 1 136 ? 15.350 21.882 12.921 1.0 4.68 ? 136 PHE A O 1 136 . A ATOM 1089 C CB . PHE A 1 136 ? 17.214 24.505 12.813 1.0 5.85 ? 136 PHE A CB 1 136 . A ATOM 1090 C CG . PHE A 1 136 ? 15.971 24.785 12.014 1.0 5.19 ? 136 PHE A CG 1 136 . A ATOM 1091 C CD1 . PHE A 1 136 ? 14.936 25.494 12.561 1.0 6.73 ? 136 PHE A CD1 1 136 . A ATOM 1092 C CD2 . PHE A 1 136 ? 15.823 24.285 10.747 1.0 6.32 ? 136 PHE A CD2 1 136 . A ATOM 1093 C CE1 . PHE A 1 136 ? 13.768 25.708 11.845 1.0 7.99 ? 136 PHE A CE1 1 136 . A ATOM 1094 C CE2 . PHE A 1 136 ? 14.664 24.493 10.033 1.0 7.02 ? 136 PHE A CE2 1 136 . A ATOM 1095 C CZ . PHE A 1 136 ? 13.638 25.208 10.593 1.0 7.38 ? 136 PHE A CZ 1 136 . A ATOM 1096 N N . MET A 1 137 ? 17.478 21.313 12.440 1.0 4.57 ? 137 MET A N 1 137 . A ATOM 1097 C CA . MET A 1 137 ? 17.029 20.132 11.706 1.0 5.65 ? 137 MET A CA 1 137 . A ATOM 1098 C C . MET A 1 137 ? 16.318 19.127 12.591 1.0 4.9 ? 137 MET A C 1 137 . A ATOM 1099 O O . MET A 1 137 ? 15.365 18.487 12.152 1.0 6.16 ? 137 MET A O 1 137 . A ATOM 1100 C CB . MET A 1 137 ? 18.202 19.489 10.974 1.0 8.2 ? 137 MET A CB 1 137 . A ATOM 1101 C CG . MET A 1 137 ? 18.728 20.446 9.888 1.0 10.1 ? 137 MET A CG 1 137 . A ATOM 1102 S SD . MET A 1 137 ? 17.473 20.844 8.599 1.0 19.06 ? 137 MET A SD 1 137 . A ATOM 1103 C CE . MET A 1 137 ? 17.765 19.542 7.986 1.0 10.45 ? 137 MET A CE 1 137 . A ATOM 1104 N N . VAL A 1 138 ? 16.756 18.985 13.840 1.0 4.26 ? 138 VAL A N 1 138 . A ATOM 1105 C CA . VAL A 1 138 ? 16.076 18.086 14.752 1.0 3.99 ? 138 VAL A CA 1 138 . A ATOM 1106 C C . VAL A 1 138 ? 14.771 18.774 15.226 1.0 3.93 ? 138 VAL A C 1 138 . A ATOM 1107 O O . VAL A 1 138 ? 13.719 18.134 15.289 1.0 4.14 ? 138 VAL A O 1 138 . A ATOM 1108 C CB . VAL A 1 138 ? 16.987 17.699 15.925 1.0 4.5 ? 138 VAL A CB 1 138 . A ATOM 1109 C CG1 . VAL A 1 138 ? 16.263 16.771 16.855 1.0 6.21 ? 138 VAL A CG1 1 138 . A ATOM 1110 C CG2 . VAL A 1 138 ? 18.261 17.019 15.374 1.0 6.34 ? 138 VAL A CG2 1 138 . A ATOM 1111 N N . ALA A 1 139 ? 14.818 20.072 15.543 1.0 3.84 ? 139 ALA A N 1 139 . A ATOM 1112 C CA . ALA A 1 139 ? 13.597 20.762 16.013 1.0 3.63 ? 139 ALA A CA 1 139 . A ATOM 1113 C C . ALA A 1 139 ? 12.501 20.744 14.955 1.0 3.3 ? 139 ALA A C 1 139 . A ATOM 1114 O O . ALA A 1 139 ? 11.331 20.621 15.309 1.0 4.05 ? 139 ALA A O 1 139 . A ATOM 1115 C CB . ALA A 1 139 ? 13.934 22.195 16.375 1.0 4.54 ? 139 ALA A CB 1 139 . A ATOM 1116 N N . VAL A 1 140 ? 12.862 20.906 13.679 1.0 2.94 ? 140 VAL A N 1 140 . A ATOM 1117 C CA . VAL A 1 140 ? 11.802 20.892 12.659 1.0 3.13 ? 140 VAL A CA 1 140 . A ATOM 1118 C C . VAL A 1 140 ? 11.213 19.466 12.516 1.0 3.29 ? 140 VAL A C 1 140 . A ATOM 1119 O O . VAL A 1 140 ? 10.034 19.299 12.159 1.0 3.75 ? 140 VAL A O 1 140 . A ATOM 1120 C CB . VAL A 1 140 ? 12.301 21.515 11.312 1.0 3.4 ? 140 VAL A CB 1 140 . A ATOM 1121 C CG1 . VAL A 1 140 ? 13.221 20.585 10.569 1.0 4.46 ? 140 VAL A CG1 1 140 . A ATOM 1122 C CG2 . VAL A 1 140 ? 11.086 21.933 10.465 1.0 5.0 ? 140 VAL A CG2 1 140 . A ATOM 1123 N N . THR A 1 141 ? 12.019 18.453 12.845 1.0 2.77 ? 141 THR A N 1 141 . A ATOM 1124 C CA . THR A 1 141 ? 11.511 17.076 12.837 1.0 3.02 ? 141 THR A CA 1 141 . A ATOM 1125 C C . THR A 1 141 ? 10.528 16.912 14.007 1.0 2.88 ? 141 THR A C 1 141 . A ATOM 1126 O O . THR A 1 141 ? 9.452 16.330 13.818 1.0 3.15 ? 141 THR A O 1 141 . A ATOM 1127 C CB . THR A 1 141 ? 12.662 16.097 12.958 1.0 2.98 ? 141 THR A CB 1 141 . A ATOM 1128 O OG1 . THR A 1 141 ? 13.556 16.303 11.843 1.0 5.56 ? 141 THR A OG1 1 141 . A ATOM 1129 C CG2 . THR A 1 141 ? 12.143 14.680 12.907 1.0 4.28 ? 141 THR A CG2 1 141 . A ATOM 1130 N N . MET A 1 142 ? 10.891 17.440 15.183 1.0 2.99 ? 142 MET A N 1 142 . A ATOM 1131 C CA . MET A 1 142 ? 9.968 17.380 16.327 1.0 3.05 ? 142 MET A CA 1 142 . A ATOM 1132 C C . MET A 1 142 ? 8.649 18.117 15.994 1.0 3.63 ? 142 MET A C 1 142 . A ATOM 1133 O O . MET A 1 142 ? 7.552 17.662 16.340 1.0 3.89 ? 142 MET A O 1 142 . A ATOM 1134 C CB . MET A 1 142 ? 10.591 18.052 17.570 1.0 4.01 ? 142 MET A CB 1 142 . A ATOM 1135 C CG . MET A 1 142 ? 11.830 17.295 18.027 1.0 3.81 ? 142 MET A CG 1 142 . A ATOM 1136 S SD . MET A 1 142 ? 12.795 18.170 19.272 1.0 7.02 ? 142 MET A SD 1 142 . A ATOM 1137 C CE . MET A 1 142 ? 11.913 17.848 20.641 1.0 9.81 ? 142 MET A CE 1 142 . A ATOM 1138 N N . THR A 1 143 ? 8.757 19.242 15.287 1.0 2.77 ? 143 THR A N 1 143 . A ATOM 1139 C CA . THR A 1 143 ? 7.598 20.056 14.917 1.0 3.41 ? 143 THR A CA 1 143 . A ATOM 1140 C C . THR A 1 143 ? 6.742 19.344 13.859 1.0 3.3 ? 143 THR A C 1 143 . A ATOM 1141 O O . THR A 1 143 ? 5.512 19.395 13.922 1.0 4.01 ? 143 THR A O 1 143 . A ATOM 1142 C CB . THR A 1 143 ? 8.054 21.447 14.433 1.0 4.02 ? 143 THR A CB 1 143 . A ATOM 1143 O OG1 . THR A 1 143 ? 8.838 22.056 15.474 1.0 3.89 ? 143 THR A OG1 1 143 . A ATOM 1144 C CG2 . THR A 1 143 ? 6.854 22.362 14.213 1.0 4.25 ? 143 THR A CG2 1 143 . A ATOM 1145 N N . HIS A 1 144 ? 7.385 18.675 12.890 1.0 3.19 ? 144 HIS A N 1 144 . A ATOM 1146 C CA . HIS A 1 144 ? 6.673 17.892 11.870 1.0 3.3 ? 144 HIS A CA 1 144 . A ATOM 1147 C C . HIS A 1 144 ? 5.854 16.770 12.581 1.0 2.93 ? 144 HIS A C 1 144 . A ATOM 1148 O O . HIS A 1 144 ? 4.666 16.562 12.279 1.0 3.59 ? 144 HIS A O 1 144 . A ATOM 1149 C CB . HIS A 1 144 ? 7.736 17.279 10.941 1.0 3.96 ? 144 HIS A CB 1 144 . A ATOM 1150 C CG . HIS A 1 144 ? 7.186 16.368 9.887 1.0 3.12 ? 144 HIS A CG 1 144 . A ATOM 1151 N ND1 . HIS A 1 144 ? 7.015 16.758 8.582 1.0 3.0 ? 144 HIS A ND1 1 144 . A ATOM 1152 C CD2 . HIS A 1 144 ? 6.796 15.071 9.950 1.0 3.09 ? 144 HIS A CD2 1 144 . A ATOM 1153 C CE1 . HIS A 1 144 ? 6.564 15.724 7.872 1.0 4.24 ? 144 HIS A CE1 1 144 . A ATOM 1154 N NE2 . HIS A 1 144 ? 6.411 14.683 8.686 1.0 3.29 ? 144 HIS A NE2 1 144 . A ATOM 1155 N N . GLU A 1 145 ? 6.470 16.055 13.536 1.0 2.88 ? 145 GLU A N 1 145 . A ATOM 1156 C CA . GLU A 1 145 ? 5.723 14.998 14.246 1.0 3.56 ? 145 GLU A CA 1 145 . A ATOM 1157 C C . GLU A 1 145 ? 4.596 15.591 15.113 1.0 3.91 ? 145 GLU A C 1 145 . A ATOM 1158 O O . GLU A 1 145 ? 3.509 15.017 15.219 1.0 4.37 ? 145 GLU A O 1 145 . A ATOM 1159 C CB . GLU A 1 145 ? 6.676 14.115 15.087 1.0 4.91 ? 145 GLU A CB 1 145 . A ATOM 1160 C CG . GLU A 1 145 ? 7.845 13.551 14.263 1.0 4.59 ? 145 GLU A CG 1 145 . A ATOM 1161 C CD . GLU A 1 145 ? 7.433 12.796 13.015 1.0 5.31 ? 145 GLU A CD 1 145 . A ATOM 1162 O OE1 . GLU A 1 145 ? 8.320 12.667 12.109 1.0 5.01 ? 145 GLU A OE1 1 145 . A ATOM 1163 O OE2 . GLU A 1 145 ? 6.272 12.331 12.903 1.0 5.37 ? 145 GLU A OE2 1 145 . A ATOM 1164 N N . LEU A 1 146 ? 4.862 16.738 15.751 1.0 3.35 ? 146 LEU A N 1 146 . A ATOM 1165 C CA . LEU A 1 146 ? 3.821 17.427 16.511 1.0 4.1 ? 146 LEU A CA 1 146 . A ATOM 1166 C C . LEU A 1 146 ? 2.674 17.768 15.552 1.0 4.21 ? 146 LEU A C 1 146 . A ATOM 1167 O O . LEU A 1 146 ? 1.480 17.598 15.907 1.0 4.75 ? 146 LEU A O 1 146 . A ATOM 1168 C CB . LEU A 1 146 ? 4.395 18.703 17.123 1.0 5.36 ? 146 LEU A CB 1 146 . A ATOM 1169 C CG . LEU A 1 146 ? 3.439 19.502 18.015 1.0 5.42 ? 146 LEU A CG 1 146 . A ATOM 1170 C CD1 . LEU A 1 146 ? 3.164 18.722 19.318 1.0 7.85 ? 146 LEU A CD1 1 146 . A ATOM 1171 C CD2 . LEU A 1 146 ? 4.095 20.840 18.398 1.0 6.63 ? 146 LEU A CD2 1 146 . A ATOM 1172 N N . GLY A 1 147 ? 3.000 18.284 14.366 1.0 3.64 ? 147 GLY A N 1 147 . A ATOM 1173 C CA . GLY A 1 147 ? 1.969 18.609 13.370 1.0 4.99 ? 147 GLY A CA 1 147 . A ATOM 1174 C C . GLY A 1 147 ? 1.131 17.390 13.052 1.0 3.89 ? 147 GLY A C 1 147 . A ATOM 1175 O O . GLY A 1 147 ? -0.106 17.482 12.986 1.0 4.58 ? 147 GLY A O 1 147 . A ATOM 1176 N N . HIS A 1 148 ? 1.774 16.241 12.821 1.0 4.18 ? 148 HIS A N 1 148 . A ATOM 1177 C CA . HIS A 1 148 ? 0.968 15.036 12.608 1.0 4.2 ? 148 HIS A CA 1 148 . A ATOM 1178 C C . HIS A 1 148 ? 0.024 14.788 13.789 1.0 5.35 ? 148 HIS A C 1 148 . A ATOM 1179 O O . HIS A 1 148 ? -1.138 14.451 13.588 1.0 5.72 ? 148 HIS A O 1 148 . A ATOM 1180 C CB . HIS A 1 148 ? 1.839 13.776 12.473 1.0 4.86 ? 148 HIS A CB 1 148 . A ATOM 1181 C CG . HIS A 1 148 ? 2.450 13.580 11.124 1.0 5.11 ? 148 HIS A CG 1 148 . A ATOM 1182 N ND1 . HIS A 1 148 ? 1.706 13.579 9.961 1.0 4.94 ? 148 HIS A ND1 1 148 . A ATOM 1183 C CD2 . HIS A 1 148 ? 3.714 13.254 10.760 1.0 4.57 ? 148 HIS A CD2 1 148 . A ATOM 1184 C CE1 . HIS A 1 148 ? 2.488 13.251 8.943 1.0 4.44 ? 148 HIS A CE1 1 148 . A ATOM 1185 N NE2 . HIS A 1 148 ? 3.714 13.048 9.397 1.0 4.77 ? 148 HIS A NE2 1 148 . A ATOM 1186 N N . ASN A 1 149 ? 0.528 14.942 15.014 1.0 4.57 ? 149 ASN A N 1 149 . A ATOM 1187 C CA . ASN A 1 149 ? -0.307 14.667 16.192 1.0 4.24 ? 149 ASN A CA 1 149 . A ATOM 1188 C C . ASN A 1 149 ? -1.471 15.669 16.297 1.0 5.19 ? 149 ASN A C 1 149 . A ATOM 1189 O O . ASN A 1 149 ? -2.485 15.372 16.955 1.0 5.64 ? 149 ASN A O 1 149 . A ATOM 1190 C CB . ASN A 1 149 ? 0.591 14.627 17.448 1.0 5.47 ? 149 ASN A CB 1 149 . A ATOM 1191 C CG . ASN A 1 149 ? 0.034 13.748 18.562 1.0 5.51 ? 149 ASN A CG 1 149 . A ATOM 1192 O OD1 . ASN A 1 149 ? -0.120 14.200 19.707 1.0 5.0 ? 149 ASN A OD1 1 149 . A ATOM 1193 N ND2 . ASN A 1 149 ? -0.247 12.480 18.251 1.0 6.09 ? 149 ASN A ND2 1 149 . A ATOM 1194 N N . LEU A 1 150 ? -1.330 16.844 15.650 1.0 4.7 ? 150 LEU A N 1 150 . A ATOM 1195 C CA . LEU A 1 150 ? -2.390 17.873 15.562 1.0 5.84 ? 150 LEU A CA 1 150 . A ATOM 1196 C C . LEU A 1 150 ? -3.278 17.671 14.335 1.0 6.31 ? 150 LEU A C 1 150 . A ATOM 1197 O O . LEU A 1 150 ? -3.978 18.607 13.930 1.0 7.03 ? 150 LEU A O 1 150 . A ATOM 1198 C CB . LEU A 1 150 ? -1.785 19.287 15.559 1.0 6.01 ? 150 LEU A CB 1 150 . A ATOM 1199 C CG . LEU A 1 150 ? -1.117 19.655 16.880 1.0 6.15 ? 150 LEU A CG 1 150 . A ATOM 1200 C CD1 . LEU A 1 150 ? -0.247 20.905 16.705 1.0 7.38 ? 150 LEU A CD1 1 150 . A ATOM 1201 C CD2 . LEU A 1 150 ? -2.175 19.961 17.981 1.0 6.82 ? 150 LEU A CD2 1 150 . A ATOM 1202 N N . GLY A 1 151 ? -3.229 16.472 13.731 1.0 5.66 ? 151 GLY A N 1 151 . A ATOM 1203 C CA . GLY A 1 151 ? -4.104 16.147 12.603 1.0 6.98 ? 151 GLY A CA 1 151 . A ATOM 1204 C C . GLY A 1 151 ? -3.613 16.495 11.217 1.0 6.89 ? 151 GLY A C 1 151 . A ATOM 1205 O O . GLY A 1 151 ? -4.387 16.456 10.267 1.0 8.28 ? 151 GLY A O 1 151 . A ATOM 1206 N N . MET A 1 152 ? -2.348 16.849 11.068 1.0 5.97 ? 152 MET A N 1 152 . A ATOM 1207 C CA . MET A 1 152 ? -1.833 17.197 9.751 1.0 5.86 ? 152 MET A CA 1 152 . A ATOM 1208 C C . MET A 1 152 ? -1.268 16.000 9.027 1.0 6.18 ? 152 MET A C 1 152 . A ATOM 1209 O O . MET A 1 152 ? -0.638 15.134 9.648 1.0 6.58 ? 152 MET A O 1 152 . A ATOM 1210 C CB . MET A 1 152 ? -0.694 18.225 9.882 1.0 5.6 ? 152 MET A CB 1 152 . A ATOM 1211 C CG . MET A 1 152 ? -1.106 19.510 10.575 1.0 5.63 ? 152 MET A CG 1 152 . A ATOM 1212 S SD . MET A 1 152 ? 0.374 20.550 10.818 1.0 5.04 ? 152 MET A SD 1 152 . A ATOM 1213 C CE . MET A 1 152 ? -0.358 21.909 11.738 1.0 7.08 ? 152 MET A CE 1 152 . A ATOM 1214 N N . GLU A 1 153 ? -1.550 15.930 7.723 1.0 5.9 ? 153 GLU A N 1 153 . A ATOM 1215 C CA . GLU A 1 153 ? -0.920 14.948 6.842 1.0 6.02 ? 153 GLU A CA 1 153 . A ATOM 1216 C C . GLU A 1 153 ? 0.159 15.700 6.074 1.0 5.77 ? 153 GLU A C 1 153 . A ATOM 1217 O O . GLU A 1 153 ? 0.339 16.907 6.240 1.0 6.57 ? 153 GLU A O 1 153 . A ATOM 1218 C CB . GLU A 1 153 ? -1.928 14.351 5.849 1.0 7.64 ? 153 GLU A CB 1 153 . A ATOM 1219 C CG . GLU A 1 153 ? -3.101 13.620 6.527 1.0 10.83 ? 153 GLU A CG 1 153 . A ATOM 1220 C CD . GLU A 1 153 ? -2.700 12.321 7.269 1.0 13.4 ? 153 GLU A CD 1 153 . A ATOM 1221 O OE1 . GLU A 1 153 ? -1.570 11.820 7.118 1.0 16.93 ? 153 GLU A OE1 1 153 . A ATOM 1222 O OE2 . GLU A 1 153 ? -3.532 11.774 8.024 1.0 18.13 ? 153 GLU A OE2 1 153 . A ATOM 1223 N N . HIS A 1 154 ? 0.912 14.990 5.251 1.0 5.08 ? 154 HIS A N 1 154 . A ATOM 1224 C CA . HIS A 1 154 ? 1.930 15.656 4.457 1.0 3.98 ? 154 HIS A CA 1 154 . A ATOM 1225 C C . HIS A 1 154 ? 1.345 16.624 3.465 1.0 5.54 ? 154 HIS A C 1 154 . A ATOM 1226 O O . HIS A 1 154 ? 0.211 16.433 2.963 1.0 7.3 ? 154 HIS A O 1 154 . A ATOM 1227 C CB . HIS A 1 154 ? 2.766 14.630 3.667 1.0 5.18 ? 154 HIS A CB 1 154 . A ATOM 1228 C CG . HIS A 1 154 ? 3.642 13.803 4.546 1.0 5.36 ? 154 HIS A CG 1 154 . A ATOM 1229 N ND1 . HIS A 1 154 ? 4.165 12.589 4.160 1.0 6.58 ? 154 HIS A ND1 1 154 . A ATOM 1230 C CD2 . HIS A 1 154 ? 4.091 14.025 5.808 1.0 5.25 ? 154 HIS A CD2 1 154 . A ATOM 1231 C CE1 . HIS A 1 154 ? 4.895 12.091 5.147 1.0 5.73 ? 154 HIS A CE1 1 154 . A ATOM 1232 N NE2 . HIS A 1 154 ? 4.862 12.937 6.168 1.0 5.69 ? 154 HIS A NE2 1 154 . A ATOM 1233 N N . ASP A 1 155 ? 2.120 17.654 3.161 1.0 4.35 ? 155 ASP A N 1 155 . A ATOM 1234 C CA . ASP A 1 155 ? 1.733 18.624 2.141 1.0 4.65 ? 155 ASP A CA 1 155 . A ATOM 1235 C C . ASP A 1 155 ? 1.546 17.869 0.816 1.0 5.2 ? 155 ASP A C 1 155 . A ATOM 1236 O O . ASP A 1 155 ? 2.265 16.944 0.497 1.0 5.75 ? 155 ASP A O 1 155 . A ATOM 1237 C CB . ASP A 1 155 ? 2.812 19.707 2.022 1.0 4.82 ? 155 ASP A CB 1 155 . A ATOM 1238 C CG . ASP A 1 155 ? 2.826 20.625 3.221 1.0 4.54 ? 155 ASP A CG 1 155 . A ATOM 1239 O OD1 . ASP A 1 155 ? 1.776 20.757 3.888 1.0 5.57 ? 155 ASP A OD1 1 155 . A ATOM 1240 O OD2 . ASP A 1 155 ? 3.898 21.219 3.460 1.0 5.44 ? 155 ASP A OD2 1 155 . A ATOM 1241 N N . ASP A 1 156 ? 0.575 18.328 0.029 1.0 4.38 ? 156 ASP A N 1 156 . A ATOM 1242 C CA . ASP A 1 156 ? 0.187 17.706 -1.251 1.0 4.93 ? 156 ASP A CA 1 156 . A ATOM 1243 C C . ASP A 1 156 ? 0.047 18.846 -2.257 1.0 5.28 ? 156 ASP A C 1 156 . A ATOM 1244 O O . ASP A 1 156 ? -0.652 19.828 -1.968 1.0 4.92 ? 156 ASP A O 1 156 . A ATOM 1245 C CB . ASP A 1 156 ? -1.140 16.974 -1.013 1.0 6.52 ? 156 ASP A CB 1 156 . A ATOM 1246 C CG . ASP A 1 156 ? -1.724 16.334 -2.297 1.0 8.44 ? 156 ASP A CG 1 156 . A ATOM 1247 O OD1 . ASP A 1 156 ? -2.169 17.069 -3.179 1.0 9.92 ? 156 ASP A OD1 1 156 . A ATOM 1248 O OD2 . ASP A 1 156 ? -1.786 15.101 -2.436 1.0 8.39 ? 156 ASP A OD2 1 156 . A ATOM 1249 N N . LYS A 1 157 ? 0.748 18.724 -3.387 1.0 5.6 ? 157 LYS A N 1 157 . A ATOM 1250 C CA . LYS A 1 157 ? 0.759 19.771 -4.409 1.0 6.04 ? 157 LYS A CA 1 157 . A ATOM 1251 C C . LYS A 1 157 ? -0.601 20.155 -4.966 1.0 6.1 ? 157 LYS A C 1 157 . A ATOM 1252 O O . LYS A 1 157 ? -0.781 21.283 -5.410 1.0 7.94 ? 157 LYS A O 1 157 . A ATOM 1253 C CB . LYS A 1 157 ? 1.706 19.376 -5.546 1.0 8.27 ? 157 LYS A CB 1 157 . A ATOM 1254 C CG . LYS A 1 157 ? 3.156 19.322 -5.146 1.0 11.97 ? 157 LYS A CG 1 157 . A ATOM 1255 C CD . LYS A 1 157 ? 3.577 20.668 -4.565 1.0 15.97 ? 157 LYS A CD 1 157 . A ATOM 1256 C CE . LYS A 1 157 ? 3.453 21.761 -5.585 1.0 18.91 ? 157 LYS A CE 1 157 . A ATOM 1257 N NZ . LYS A 1 157 ? 2.091 21.953 -6.162 1.0 23.3 ? 157 LYS A NZ 1 157 . A ATOM 1258 N N . ASP A 1 158 ? -1.539 19.226 -4.980 1.0 5.57 ? 158 ASP A N 1 158 . A ATOM 1259 C CA . ASP A 1 158 ? -2.876 19.587 -5.447 1.0 7.33 ? 158 ASP A CA 1 158 . A ATOM 1260 C C . ASP A 1 158 ? -3.594 20.487 -4.459 1.0 7.76 ? 158 ASP A C 1 158 . A ATOM 1261 O O . ASP A 1 158 ? -4.455 21.240 -4.855 1.0 8.49 ? 158 ASP A O 1 158 . A ATOM 1262 C CB . ASP A 1 158 ? -3.714 18.346 -5.701 1.0 7.84 ? 158 ASP A CB 1 158 . A ATOM 1263 C CG . ASP A 1 158 ? -3.133 17.479 -6.753 1.0 9.4 ? 158 ASP A CG 1 158 . A ATOM 1264 O OD1 . ASP A 1 158 ? -2.901 18.003 -7.866 1.0 13.22 ? 158 ASP A OD1 1 158 . A ATOM 1265 O OD2 . ASP A 1 158 ? -2.877 16.294 -6.482 1.0 8.93 ? 158 ASP A OD2 1 158 . A ATOM 1266 N N . LYS A 1 159 ? -3.226 20.447 -3.188 1.0 6.85 ? 159 LYS A N 1 159 . A ATOM 1267 C CA . LYS A 1 159 ? -3.876 21.251 -2.155 1.0 6.8 ? 159 LYS A CA 1 159 . A ATOM 1268 C C . LYS A 1 159 ? -3.159 22.534 -1.822 1.0 6.65 ? 159 LYS A C 1 159 . A ATOM 1269 O O . LYS A 1 159 ? -3.816 23.517 -1.472 1.0 8.73 ? 159 LYS A O 1 159 . A ATOM 1270 C CB . LYS A 1 159 ? -4.045 20.399 -0.907 1.0 7.54 ? 159 LYS A CB 1 159 . A ATOM 1271 C CG . LYS A 1 159 ? -5.133 19.356 -1.069 1.0 8.92 ? 159 LYS A CG 1 159 . A ATOM 1272 C CD . LYS A 1 159 ? -5.120 18.323 0.093 1.0 11.35 ? 159 LYS A CD 1 159 . A ATOM 1273 C CE . LYS A 1 159 ? -5.200 18.972 1.472 1.0 14.23 ? 159 LYS A CE 1 159 . A ATOM 1274 N NZ . LYS A 1 159 ? -6.535 19.554 1.825 1.0 17.1 ? 159 LYS A NZ 1 159 . A ATOM 1275 N N . CYS A 1 160 ? -1.839 22.556 -1.903 1.0 5.2 ? 160 CYS A N 1 160 . A ATOM 1276 C CA . CYS A 1 160 ? -1.092 23.791 -1.614 1.0 6.68 ? 160 CYS A CA 1 160 . A ATOM 1277 C C . CYS A 1 160 ? 0.251 23.718 -2.343 1.0 6.52 ? 160 CYS A C 1 160 . A ATOM 1278 O O . CYS A 1 160 ? 0.765 22.654 -2.631 1.0 7.49 ? 160 CYS A O 1 160 . A ATOM 1279 C CB . CYS A 1 160 ? -0.917 23.983 -0.068 1.0 7.23 ? 160 CYS A CB 1 160 . A ATOM 1280 S SG . CYS A 1 160 ? 0.088 22.680 0.718 1.0 9.88 ? 160 CYS A SG 1 160 . A ATOM 1281 N N . LYS A 1 161 ? 0.866 24.860 -2.571 1.0 7.49 ? 161 LYS A N 1 161 . A ATOM 1282 C CA . LYS A 1 161 ? 2.050 24.837 -3.376 1.0 9.38 ? 161 LYS A CA 1 161 . A ATOM 1283 C C . LYS A 1 161 ? 3.406 24.800 -2.669 1.0 8.99 ? 161 LYS A C 1 161 . A ATOM 1284 O O . LYS A 1 161 ? 4.402 24.522 -3.304 1.0 9.8 ? 161 LYS A O 1 161 . A ATOM 1285 C CB . LYS A 1 161 ? 1.936 25.995 -4.369 1.0 11.7 ? 161 LYS A CB 1 161 . A ATOM 1286 C CG . LYS A 1 161 ? 0.663 25.892 -5.294 1.0 12.93 ? 161 LYS A CG 1 161 . A ATOM 1287 C CD . LYS A 1 161 ? 0.469 24.493 -5.979 1.0 14.46 ? 161 LYS A CD 1 161 . A ATOM 1288 C CE . LYS A 1 161 ? -0.785 24.458 -6.894 1.0 15.43 ? 161 LYS A CE 1 161 . A ATOM 1289 N NZ . LYS A 1 161 ? -1.161 23.057 -7.442 1.0 14.61 ? 161 LYS A NZ 1 161 . A ATOM 1290 N N . CYS A 1 162 ? 3.433 25.022 -1.356 1.0 8.79 ? 162 CYS A N 1 162 . A ATOM 1291 C CA . CYS A 1 162 ? 4.724 25.045 -0.659 1.0 9.34 ? 162 CYS A CA 1 162 . A ATOM 1292 C C . CYS A 1 162 ? 5.556 23.797 -0.858 1.0 8.98 ? 162 CYS A C 1 162 . A ATOM 1293 O O . CYS A 1 162 ? 5.038 22.706 -0.726 1.0 10.39 ? 162 CYS A O 1 162 . A ATOM 1294 C CB . CYS A 1 162 ? 4.495 25.250 0.829 1.0 9.22 ? 162 CYS A CB 1 162 . A ATOM 1295 S SG . CYS A 1 162 ? 6.064 25.585 1.679 1.0 9.84 ? 162 CYS A SG 1 162 . A ATOM 1296 N N . THR A 1 163 ? 6.856 23.944 -1.146 1.0 9.81 ? 163 THR A N 1 163 . A ATOM 1297 C CA . THR A 1 163 ? 7.726 22.777 -1.344 1.0 11.75 ? 163 THR A CA 1 163 . A ATOM 1298 C C . THR A 1 163 ? 8.692 22.438 -0.191 1.0 10.81 ? 163 THR A C 1 163 . A ATOM 1299 O O . THR A 1 163 ? 9.242 21.337 -0.155 1.0 13.74 ? 163 THR A O 1 163 . A ATOM 1300 C CB . THR A 1 163 ? 8.602 22.917 -2.602 1.0 13.01 ? 163 THR A CB 1 163 . A ATOM 1301 O OG1 . THR A 1 163 ? 9.302 24.168 -2.543 1.0 16.97 ? 163 THR A OG1 1 163 . A ATOM 1302 C CG2 . THR A 1 163 ? 7.766 22.776 -3.886 1.0 16.07 ? 163 THR A CG2 1 163 . A ATOM 1303 N N . THR A 1 164 ? 8.886 23.371 0.730 1.0 9.05 ? 164 THR A N 1 164 . A ATOM 1304 C CA . THR A 1 164 ? 9.833 23.176 1.835 1.0 8.52 ? 164 THR A CA 1 164 . A ATOM 1305 C C . THR A 1 164 ? 9.226 23.480 3.201 1.0 7.66 ? 164 THR A C 1 164 . A ATOM 1306 O O . THR A 1 164 ? 9.955 23.710 4.198 1.0 7.54 ? 164 THR A O 1 164 . A ATOM 1307 C CB . THR A 1 164 ? 11.097 24.071 1.671 1.0 9.22 ? 164 THR A CB 1 164 . A ATOM 1308 O OG1 . THR A 1 164 ? 10.717 25.452 1.680 1.0 12.37 ? 164 THR A OG1 1 164 . A ATOM 1309 C CG2 . THR A 1 164 ? 11.840 23.742 0.359 1.0 10.35 ? 164 THR A CG2 1 164 . A ATOM 1310 N N . CYS A 1 165 ? 7.905 23.436 3.292 1.0 5.5 ? 165 CYS A N 1 165 . A ATOM 1311 C CA . CYS A 1 165 ? 7.226 23.710 4.553 1.0 4.95 ? 165 CYS A CA 1 165 . A ATOM 1312 C C . CYS A 1 165 ? 7.384 22.540 5.520 1.0 3.98 ? 165 CYS A C 1 165 . A ATOM 1313 O O . CYS A 1 165 ? 7.796 21.455 5.132 1.0 4.6 ? 165 CYS A O 1 165 . A ATOM 1314 C CB . CYS A 1 165 ? 5.768 24.055 4.297 1.0 4.76 ? 165 CYS A CB 1 165 . A ATOM 1315 S SG . CYS A 1 165 ? 5.580 25.756 3.643 1.0 6.83 ? 165 CYS A SG 1 165 . A ATOM 1316 N N . ILE A 1 166 ? 7.040 22.777 6.783 1.0 4.08 ? 166 ILE A N 1 166 . A ATOM 1317 C CA . ILE A 1 166 ? 7.267 21.796 7.823 1.0 3.76 ? 166 ILE A CA 1 166 . A ATOM 1318 C C . ILE A 1 166 ? 6.709 20.407 7.517 1.0 4.34 ? 166 ILE A C 1 166 . A ATOM 1319 O O . ILE A 1 166 ? 7.399 19.448 7.792 1.0 4.15 ? 166 ILE A O 1 166 . A ATOM 1320 C CB . ILE A 1 166 ? 6.680 22.330 9.153 1.0 3.58 ? 166 ILE A CB 1 166 . A ATOM 1321 C CG1 . ILE A 1 166 ? 7.500 23.551 9.613 1.0 4.17 ? 166 ILE A CG1 1 166 . A ATOM 1322 C CG2 . ILE A 1 166 ? 6.725 21.230 10.254 1.0 4.71 ? 166 ILE A CG2 1 166 . A ATOM 1323 C CD1 . ILE A 1 166 ? 6.782 24.401 10.694 1.0 5.21 ? 166 ILE A CD1 1 166 . A ATOM 1324 N N . MET A 1 167 ? 5.501 20.329 6.941 1.0 3.32 ? 167 MET A N 1 167 . A ATOM 1325 C CA . MET A 1 167 ? 4.894 19.027 6.635 1.0 4.46 ? 167 MET A CA 1 167 . A ATOM 1326 C C . MET A 1 167 ? 5.232 18.499 5.249 1.0 4.39 ? 167 MET A C 1 167 . A ATOM 1327 O O . MET A 1 167 ? 4.495 17.662 4.708 1.0 4.68 ? 167 MET A O 1 167 . A ATOM 1328 C CB . MET A 1 167 ? 3.382 19.084 6.847 1.0 3.98 ? 167 MET A CB 1 167 . A ATOM 1329 C CG . MET A 1 167 ? 3.004 19.451 8.311 1.0 4.0 ? 167 MET A CG 1 167 . A ATOM 1330 S SD . MET A 1 167 ? 3.742 18.440 9.605 1.0 4.27 ? 167 MET A SD 1 167 . A ATOM 1331 C CE . MET A 1 167 ? 3.154 16.796 9.137 1.0 6.21 ? 167 MET A CE 1 167 . A ATOM 1332 N N . SER A 1 168 ? 6.354 18.938 4.668 1.0 3.71 ? 168 SER A N 1 168 . A ATOM 1333 C CA . SER A 1 168 ? 6.782 18.367 3.385 1.0 4.11 ? 168 SER A CA 1 168 . A ATOM 1334 C C . SER A 1 168 ? 6.947 16.866 3.589 1.0 5.36 ? 168 SER A C 1 168 . A ATOM 1335 O O . SER A 1 168 ? 7.293 16.389 4.677 1.0 5.14 ? 168 SER A O 1 168 . A ATOM 1336 C CB . SER A 1 168 ? 8.089 19.019 2.919 1.0 4.77 ? 168 SER A CB 1 168 . A ATOM 1337 O OG . SER A 1 168 ? 9.148 18.812 3.837 1.0 7.24 ? 168 SER A OG 1 168 . A ATOM 1338 N N . ALA A 1 169 ? 6.718 16.118 2.511 1.0 6.68 ? 169 ALA A N 1 169 . A ATOM 1339 C CA . ALA A 1 169 ? 6.830 14.673 2.610 1.0 7.31 ? 169 ALA A CA 1 169 . A ATOM 1340 C C . ALA A 1 169 ? 8.220 14.157 3.016 1.0 7.01 ? 169 ALA A C 1 169 . A ATOM 1341 O O . ALA A 1 169 ? 8.333 13.106 3.636 1.0 7.2 ? 169 ALA A O 1 169 . A ATOM 1342 C CB . ALA A 1 169 ? 6.388 14.057 1.275 1.0 7.83 ? 169 ALA A CB 1 169 . A ATOM 1343 N N . VAL A 1 170 ? 9.257 14.897 2.645 1.0 6.21 ? 170 VAL A N 1 170 . A ATOM 1344 C CA . VAL A 1 170 ? 10.635 14.585 2.964 1.0 7.51 ? 170 VAL A CA 1 170 . A ATOM 1345 C C . VAL A 1 170 ? 11.332 15.853 3.422 1.0 6.73 ? 170 VAL A C 1 170 . A ATOM 1346 O O . VAL A 1 170 ? 11.066 16.928 2.912 1.0 7.68 ? 170 VAL A O 1 170 . A ATOM 1347 C CB . VAL A 1 170 ? 11.355 14.052 1.724 1.0 8.04 ? 170 VAL A CB 1 170 . A ATOM 1348 C CG1 . VAL A 1 170 ? 12.686 13.448 2.114 1.0 9.63 ? 170 VAL A CG1 1 170 . A ATOM 1349 C CG2 . VAL A 1 170 ? 10.415 13.094 1.034 1.0 11.17 ? 170 VAL A CG2 1 170 . A ATOM 1350 N N . ILE A 1 171 ? 12.224 15.702 4.390 1.0 5.98 ? 171 ILE A N 1 171 . A ATOM 1351 C CA . ILE A 1 171 ? 13.010 16.815 4.877 1.0 6.34 ? 171 ILE A CA 1 171 . A ATOM 1352 C C . ILE A 1 171 ? 14.107 17.124 3.849 1.0 6.69 ? 171 ILE A C 1 171 . A ATOM 1353 O O . ILE A 1 171 ? 14.488 16.257 3.038 1.0 7.85 ? 171 ILE A O 1 171 . A ATOM 1354 C CB . ILE A 1 171 ? 13.692 16.437 6.263 1.0 5.52 ? 171 ILE A CB 1 171 . A ATOM 1355 C CG1 . ILE A 1 171 ? 14.206 17.690 6.980 1.0 6.02 ? 171 ILE A CG1 1 171 . A ATOM 1356 C CG2 . ILE A 1 171 ? 14.839 15.460 6.052 1.0 7.15 ? 171 ILE A CG2 1 171 . A ATOM 1357 C CD1 . ILE A 1 171 ? 14.687 17.407 8.444 1.0 7.26 ? 171 ILE A CD1 1 171 . A ATOM 1358 N N . SER A 1 172 ? 14.622 18.348 3.875 1.0 6.82 ? 172 SER A N 1 172 . A ATOM 1359 C CA . SER A 1 172 ? 15.771 18.716 3.040 1.0 7.45 ? 172 SER A CA 1 172 . A ATOM 1360 C C . SER A 1 172 ? 16.605 19.769 3.753 1.0 8.24 ? 172 SER A C 1 172 . A ATOM 1361 O O . SER A 1 172 ? 16.191 20.342 4.767 1.0 8.04 ? 172 SER A O 1 172 . A ATOM 1362 C CB . SER A 1 172 ? 15.358 19.252 1.662 1.0 7.65 ? 172 SER A CB 1 172 . A ATOM 1363 O OG . SER A 1 172 ? 14.958 20.614 1.765 1.0 9.67 ? 172 SER A OG 1 172 . A ATOM 1364 N N . ASP A 1 173 ? 17.783 20.034 3.210 1.0 9.85 ? 173 ASP A N 1 173 . A ATOM 1365 C CA . ASP A 1 173 ? 18.663 21.022 3.789 1.0 10.76 ? 173 ASP A CA 1 173 . A ATOM 1366 C C . ASP A 1 173 ? 18.138 22.448 3.617 1.0 10.99 ? 173 ASP A C 1 173 . A ATOM 1367 O O . ASP A 1 173 ? 18.680 23.368 4.199 1.0 13.29 ? 173 ASP A O 1 173 . A ATOM 1368 C CB . ASP A 1 173 ? 20.078 20.841 3.212 1.0 12.55 ? 173 ASP A CB 1 173 . A ATOM 1369 C CG . ASP A 1 173 ? 20.189 21.235 1.756 1.0 14.01 ? 173 ASP A CG 1 173 . A ATOM 1370 O OD1 . ASP A 1 173 ? 19.176 21.310 1.035 1.0 15.66 ? 173 ASP A OD1 1 173 . A ATOM 1371 O OD2 . ASP A 1 173 ? 21.341 21.477 1.303 1.0 17.25 ? 173 ASP A OD2 1 173 . A ATOM 1372 N N . LYS A 1 174 ? 17.057 22.618 2.870 1.0 10.53 ? 174 LYS A N 1 174 . A ATOM 1373 C CA . LYS A 1 174 ? 16.463 23.936 2.681 1.0 11.79 ? 174 LYS A CA 1 174 . A ATOM 1374 C C . LYS A 1 174 ? 15.139 24.015 3.444 1.0 9.92 ? 174 LYS A C 1 174 . A ATOM 1375 O O . LYS A 1 174 ? 14.318 24.873 3.156 1.0 9.83 ? 174 LYS A O 1 174 . A ATOM 1376 C CB . LYS A 1 174 ? 16.203 24.193 1.196 1.0 14.64 ? 174 LYS A CB 1 174 . A ATOM 1377 C CG . LYS A 1 174 ? 17.391 23.904 0.270 1.0 19.49 ? 174 LYS A CG 1 174 . A ATOM 1378 C CD . LYS A 1 174 ? 18.560 24.804 0.597 1.0 21.56 ? 174 LYS A CD 1 174 . A ATOM 1379 C CE . LYS A 1 174 ? 18.945 25.659 -0.613 1.0 23.46 ? 174 LYS A CE 1 174 . A ATOM 1380 N NZ . LYS A 1 174 ? 19.739 26.865 -0.197 1.0 23.87 ? 174 LYS A NZ 1 174 . A ATOM 1381 N N . GLN A 1 175 ? 14.947 23.104 4.399 1.0 8.65 ? 175 GLN A N 1 175 . A ATOM 1382 C CA . GLN A 1 175 ? 13.696 23.086 5.173 1.0 7.86 ? 175 GLN A CA 1 175 . A ATOM 1383 C C . GLN A 1 175 ? 13.350 24.467 5.716 1.0 7.76 ? 175 GLN A C 1 175 . A ATOM 1384 O O . GLN A 1 175 ? 14.201 25.139 6.327 1.0 8.25 ? 175 GLN A O 1 175 . A ATOM 1385 C CB . GLN A 1 175 ? 13.782 22.095 6.355 1.0 7.11 ? 175 GLN A CB 1 175 . A ATOM 1386 C CG . GLN A 1 175 ? 12.423 21.602 6.781 1.0 7.07 ? 175 GLN A CG 1 175 . A ATOM 1387 C CD . GLN A 1 175 ? 11.773 20.752 5.718 1.0 6.43 ? 175 GLN A CD 1 175 . A ATOM 1388 O OE1 . GLN A 1 175 ? 12.454 20.050 5.008 1.0 7.67 ? 175 GLN A OE1 1 175 . A ATOM 1389 N NE2 . GLN A 1 175 ? 10.441 20.797 5.620 1.0 8.54 ? 175 GLN A NE2 1 175 . A ATOM 1390 N N . SER A 1 176 ? 12.111 24.907 5.504 1.0 7.46 ? 176 SER A N 1 176 . A ATOM 1391 C CA . SER A 1 176 ? 11.700 26.197 6.038 1.0 7.78 ? 176 SER A CA 1 176 . A ATOM 1392 C C . SER A 1 176 ? 11.041 25.996 7.406 1.0 7.91 ? 176 SER A C 1 176 . A ATOM 1393 O O . SER A 1 176 ? 10.702 24.866 7.805 1.0 8.84 ? 176 SER A O 1 176 . A ATOM 1394 C CB . SER A 1 176 ? 10.742 26.887 5.070 1.0 11.47 ? 176 SER A CB 1 176 . A ATOM 1395 O OG . SER A 1 176 ? 9.431 26.576 5.377 1.0 12.87 ? 176 SER A OG 1 176 . A ATOM 1396 N N . LYS A 1 177 ? 10.834 27.102 8.107 1.0 6.79 ? 177 LYS A N 1 177 . A ATOM 1397 C CA . LYS A 1 177 ? 10.222 27.055 9.423 1.0 6.84 ? 177 LYS A CA 1 177 . A ATOM 1398 C C . LYS A 1 177 ? 8.729 27.353 9.336 1.0 6.24 ? 177 LYS A C 1 177 . A ATOM 1399 O O . LYS A 1 177 ? 8.096 27.563 10.371 1.0 6.93 ? 177 LYS A O 1 177 . A ATOM 1400 C CB . LYS A 1 177 ? 10.902 28.078 10.328 1.0 8.49 ? 177 LYS A CB 1 177 . A ATOM 1401 C CG . LYS A 1 177 ? 10.638 29.486 9.955 1.0 10.36 ? 177 LYS A CG 1 177 . A ATOM 1402 C CD . LYS A 1 177 ? 11.259 30.353 11.056 1.0 12.45 ? 177 LYS A CD 1 177 . A ATOM 1403 C CE . LYS A 1 177 ? 11.004 31.818 10.831 1.0 13.8 ? 177 LYS A CE 1 177 . A ATOM 1404 N NZ . LYS A 1 177 ? 11.547 32.579 12.031 1.0 11.9 ? 177 LYS A NZ 1 177 . A ATOM 1405 N N . LEU A 1 178 ? 8.166 27.381 8.128 1.0 5.32 ? 178 LEU A N 1 178 . A ATOM 1406 C CA . LEU A 1 178 ? 6.744 27.684 7.943 1.0 5.55 ? 178 LEU A CA 1 178 . A ATOM 1407 C C . LEU A 1 178 ? 5.842 26.486 7.694 1.0 4.92 ? 178 LEU A C 1 178 . A ATOM 1408 O O . LEU A 1 178 ? 6.237 25.490 7.069 1.0 5.13 ? 178 LEU A O 1 178 . A ATOM 1409 C CB . LEU A 1 178 ? 6.551 28.640 6.746 1.0 6.85 ? 178 LEU A CB 1 178 . A ATOM 1410 C CG . LEU A 1 178 ? 7.262 29.983 6.884 1.0 7.82 ? 178 LEU A CG 1 178 . A ATOM 1411 C CD1 . LEU A 1 178 ? 7.048 30.765 5.575 1.0 9.6 ? 178 LEU A CD1 1 178 . A ATOM 1412 C CD2 . LEU A 1 178 ? 6.719 30.758 8.061 1.0 10.77 ? 178 LEU A CD2 1 178 . A ATOM 1413 N N . PHE A 1 179 ? 4.629 26.582 8.229 1.0 4.61 ? 179 PHE A N 1 179 . A ATOM 1414 C CA . PHE A 1 179 ? 3.579 25.602 7.935 1.0 5.5 ? 179 PHE A CA 1 179 . A ATOM 1415 C C . PHE A 1 179 ? 2.907 26.097 6.652 1.0 6.11 ? 179 PHE A C 1 179 . A ATOM 1416 O O . PHE A 1 179 ? 2.638 27.296 6.472 1.0 6.83 ? 179 PHE A O 1 179 . A ATOM 1417 C CB . PHE A 1 179 ? 2.520 25.564 9.043 1.0 5.65 ? 179 PHE A CB 1 179 . A ATOM 1418 C CG . PHE A 1 179 ? 2.921 24.768 10.226 1.0 4.25 ? 179 PHE A CG 1 179 . A ATOM 1419 C CD1 . PHE A 1 179 ? 2.966 23.366 10.155 1.0 5.09 ? 179 PHE A CD1 1 179 . A ATOM 1420 C CD2 . PHE A 1 179 ? 3.287 25.390 11.420 1.0 6.26 ? 179 PHE A CD2 1 179 . A ATOM 1421 C CE1 . PHE A 1 179 ? 3.366 22.605 11.256 1.0 6.19 ? 179 PHE A CE1 1 179 . A ATOM 1422 C CE2 . PHE A 1 179 ? 3.688 24.640 12.509 1.0 6.39 ? 179 PHE A CE2 1 179 . A ATOM 1423 C CZ . PHE A 1 179 ? 3.728 23.257 12.440 1.0 6.98 ? 179 PHE A CZ 1 179 . A ATOM 1424 N N . SER A 1 180 ? 2.615 25.160 5.760 1.0 5.22 ? 180 SER A N 1 180 . A ATOM 1425 C CA . SER A 1 180 ? 1.913 25.450 4.509 1.0 5.23 ? 180 SER A CA 1 180 . A ATOM 1426 C C . SER A 1 180 ? 0.428 25.753 4.753 1.0 5.2 ? 180 SER A C 1 180 . A ATOM 1427 O O . SER A 1 180 ? -0.121 25.558 5.849 1.0 5.27 ? 180 SER A O 1 180 . A ATOM 1428 C CB . SER A 1 180 ? 1.978 24.221 3.628 1.0 4.33 ? 180 SER A CB 1 180 . A ATOM 1429 O OG . SER A 1 180 ? 1.084 23.249 4.157 1.0 4.92 ? 180 SER A OG 1 180 . A ATOM 1430 N N . ASP A 1 181 ? -0.259 26.140 3.678 1.0 5.85 ? 181 ASP A N 1 181 . A ATOM 1431 C CA . ASP A 1 181 ? -1.703 26.357 3.782 1.0 6.34 ? 181 ASP A CA 1 181 . A ATOM 1432 C C . ASP A 1 181 ? -2.385 25.002 3.978 1.0 5.71 ? 181 ASP A C 1 181 . A ATOM 1433 O O . ASP A 1 181 ? -3.418 24.936 4.612 1.0 6.88 ? 181 ASP A O 1 181 . A ATOM 1434 C CB . ASP A 1 181 ? -2.303 26.992 2.513 1.0 9.39 ? 181 ASP A CB 1 181 . A ATOM 1435 C CG . ASP A 1 181 ? -3.844 27.201 2.639 1.0 12.62 ? 181 ASP A CG 1 181 . A ATOM 1436 O OD1 . ASP A 1 181 ? -4.267 27.912 3.590 1.0 17.07 ? 181 ASP A OD1 1 181 . A ATOM 1437 O OD2 . ASP A 1 181 ? -4.635 26.648 1.831 1.0 16.36 ? 181 ASP A OD2 1 181 . A ATOM 1438 N N . CYS A 1 182 ? -1.807 23.919 3.462 1.0 6.02 ? 182 CYS A N 1 182 . A ATOM 1439 C CA . CYS A 1 182 ? -2.399 22.597 3.653 1.0 6.57 ? 182 CYS A CA 1 182 . A ATOM 1440 C C . CYS A 1 182 ? -2.430 22.300 5.163 1.0 5.32 ? 182 CYS A C 1 182 . A ATOM 1441 O O . CYS A 1 182 ? -3.410 21.813 5.707 1.0 5.43 ? 182 CYS A O 1 182 . A ATOM 1442 C CB . CYS A 1 182 ? -1.505 21.507 3.069 1.0 7.75 ? 182 CYS A CB 1 182 . A ATOM 1443 S SG . CYS A 1 182 ? -1.340 21.255 1.261 1.0 11.2 ? 182 CYS A SG 1 182 . A ATOM 1444 N N . SER A 1 183 ? -1.297 22.569 5.817 1.0 4.38 ? 183 SER A N 1 183 . A ATOM 1445 C CA . SER A 1 183 ? -1.151 22.307 7.252 1.0 4.85 ? 183 SER A CA 1 183 . A ATOM 1446 C C . SER A 1 183 ? -2.067 23.160 8.101 1.0 4.84 ? 183 SER A C 1 183 . A ATOM 1447 O O . SER A 1 183 ? -2.691 22.663 9.044 1.0 5.52 ? 183 SER A O 1 183 . A ATOM 1448 C CB . SER A 1 183 ? 0.299 22.582 7.658 1.0 5.41 ? 183 SER A CB 1 183 . A ATOM 1449 O OG . SER A 1 183 ? 1.158 21.637 7.039 1.0 5.06 ? 183 SER A OG 1 183 . A ATOM 1450 N N . LYS A 1 184 ? -2.161 24.447 7.771 1.0 5.13 ? 184 LYS A N 1 184 . A ATOM 1451 C CA . LYS A 1 184 ? -3.038 25.328 8.537 1.0 5.8 ? 184 LYS A CA 1 184 . A ATOM 1452 C C . LYS A 1 184 ? -4.479 24.862 8.365 1.0 6.54 ? 184 LYS A C 1 184 . A ATOM 1453 O O . LYS A 1 184 ? -5.223 24.850 9.328 1.0 7.3 ? 184 LYS A O 1 184 . A ATOM 1454 C CB . LYS A 1 184 ? -2.832 26.776 8.095 1.0 7.08 ? 184 LYS A CB 1 184 . A ATOM 1455 C CG . LYS A 1 184 ? -1.467 27.303 8.484 1.0 7.58 ? 184 LYS A CG 1 184 . A ATOM 1456 C CD . LYS A 1 184 ? -1.298 28.717 7.966 1.0 10.8 ? 184 LYS A CD 1 184 . A ATOM 1457 C CE . LYS A 1 184 ? 0.036 29.221 8.382 1.0 11.88 ? 184 LYS A CE 1 184 . A ATOM 1458 N NZ . LYS A 1 184 ? 0.146 30.648 7.986 1.0 15.78 ? 184 LYS A NZ 1 184 . A ATOM 1459 N N . ASP A 1 185 ? -4.859 24.447 7.150 1.0 6.19 ? 185 ASP A N 1 185 . A ATOM 1460 C CA . ASP A 1 185 ? -6.232 23.969 6.950 1.0 6.79 ? 185 ASP A CA 1 185 . A ATOM 1461 C C . ASP A 1 185 ? -6.472 22.678 7.751 1.0 6.5 ? 185 ASP A C 1 185 . A ATOM 1462 O O . ASP A 1 185 ? -7.545 22.499 8.309 1.0 8.02 ? 185 ASP A O 1 185 . A ATOM 1463 C CB . ASP A 1 185 ? -6.504 23.736 5.462 1.0 7.65 ? 185 ASP A CB 1 185 . A ATOM 1464 C CG . ASP A 1 185 ? -6.612 25.018 4.678 1.0 9.61 ? 185 ASP A CG 1 185 . A ATOM 1465 O OD1 . ASP A 1 185 ? -6.508 26.104 5.264 1.0 10.64 ? 185 ASP A OD1 1 185 . A ATOM 1466 O OD2 . ASP A 1 185 ? -6.785 24.946 3.436 1.0 9.6 ? 185 ASP A OD2 1 185 . A ATOM 1467 N N . TYR A 1 186 ? -5.497 21.761 7.784 1.0 6.08 ? 186 TYR A N 1 186 . A ATOM 1468 C CA . TYR A 1 186 ? -5.631 20.551 8.600 1.0 6.04 ? 186 TYR A CA 1 186 . A ATOM 1469 C C . TYR A 1 186 ? -5.826 20.909 10.063 1.0 6.17 ? 186 TYR A C 1 186 . A ATOM 1470 O O . TYR A 1 186 ? -6.601 20.262 10.760 1.0 7.2 ? 186 TYR A O 1 186 . A ATOM 1471 C CB . TYR A 1 186 ? -4.390 19.641 8.525 1.0 6.07 ? 186 TYR A CB 1 186 . A ATOM 1472 C CG . TYR A 1 186 ? -4.336 18.732 7.300 1.0 6.93 ? 186 TYR A CG 1 186 . A ATOM 1473 C CD1 . TYR A 1 186 ? -3.240 18.759 6.445 1.0 6.86 ? 186 TYR A CD1 1 186 . A ATOM 1474 C CD2 . TYR A 1 186 ? -5.396 17.848 7.003 1.0 8.07 ? 186 TYR A CD2 1 186 . A ATOM 1475 C CE1 . TYR A 1 186 ? -3.183 17.946 5.323 1.0 7.02 ? 186 TYR A CE1 1 186 . A ATOM 1476 C CE2 . TYR A 1 186 ? -5.339 17.036 5.874 1.0 9.06 ? 186 TYR A CE2 1 186 . A ATOM 1477 C CZ . TYR A 1 186 ? -4.241 17.095 5.049 1.0 7.77 ? 186 TYR A CZ 1 186 . A ATOM 1478 O OH . TYR A 1 186 ? -4.172 16.337 3.901 1.0 10.67 ? 186 TYR A OH 1 186 . A ATOM 1479 N N . TYR A 1 187 ? -5.100 21.916 10.544 1.0 6.03 ? 187 TYR A N 1 187 . A ATOM 1480 C CA . TYR A 1 187 ? -5.232 22.323 11.939 1.0 7.59 ? 187 TYR A CA 1 187 . A ATOM 1481 C C . TYR A 1 187 ? -6.620 22.894 12.199 1.0 7.83 ? 187 TYR A C 1 187 . A ATOM 1482 O O . TYR A 1 187 ? -7.203 22.617 13.255 1.0 7.8 ? 187 TYR A O 1 187 . A ATOM 1483 C CB . TYR A 1 187 ? -4.108 23.314 12.307 1.0 6.34 ? 187 TYR A CB 1 187 . A ATOM 1484 C CG . TYR A 1 187 ? -4.124 23.712 13.774 1.0 6.03 ? 187 TYR A CG 1 187 . A ATOM 1485 C CD1 . TYR A 1 187 ? -4.115 22.752 14.780 1.0 6.82 ? 187 TYR A CD1 1 187 . A ATOM 1486 C CD2 . TYR A 1 187 ? -4.155 25.053 14.134 1.0 6.21 ? 187 TYR A CD2 1 187 . A ATOM 1487 C CE1 . TYR A 1 187 ? -4.137 23.146 16.132 1.0 7.57 ? 187 TYR A CE1 1 187 . A ATOM 1488 C CE2 . TYR A 1 187 ? -4.185 25.445 15.462 1.0 7.37 ? 187 TYR A CE2 1 187 . A ATOM 1489 C CZ . TYR A 1 187 ? -4.173 24.483 16.452 1.0 7.49 ? 187 TYR A CZ 1 187 . A ATOM 1490 O OH . TYR A 1 187 ? -4.202 24.817 17.803 1.0 7.53 ? 187 TYR A OH 1 187 . A ATOM 1491 N N . GLN A 1 188 ? -7.156 23.677 11.268 1.0 8.44 ? 188 GLN A N 1 188 . A ATOM 1492 C CA . GLN A 1 188 ? -8.497 24.206 11.476 1.0 9.41 ? 188 GLN A CA 1 188 . A ATOM 1493 C C . GLN A 1 188 ? -9.481 23.037 11.583 1.0 10.19 ? 188 GLN A C 1 188 . A ATOM 1494 O O . GLN A 1 188 ? -10.377 23.041 12.440 1.0 9.87 ? 188 GLN A O 1 188 . A ATOM 1495 C CB . GLN A 1 188 ? -8.928 25.118 10.322 1.0 10.54 ? 188 GLN A CB 1 188 . A ATOM 1496 C CG . GLN A 1 188 ? -10.338 25.664 10.560 1.0 12.46 ? 188 GLN A CG 1 188 . A ATOM 1497 C CD . GLN A 1 188 ? -10.403 26.456 11.862 1.0 13.14 ? 188 GLN A CD 1 188 . A ATOM 1498 O OE1 . GLN A 1 188 ? -11.024 26.043 12.871 1.0 15.25 ? 188 GLN A OE1 1 188 . A ATOM 1499 N NE2 . GLN A 1 188 ? -9.751 27.574 11.866 1.0 13.08 ? 188 GLN A NE2 1 188 . A ATOM 1500 N N . THR A 1 189 ? -9.313 22.030 10.727 1.0 9.79 ? 189 THR A N 1 189 . A ATOM 1501 C CA . THR A 1 189 ? -10.204 20.871 10.747 1.0 9.83 ? 189 THR A CA 1 189 . A ATOM 1502 C C . THR A 1 189 ? -10.132 20.184 12.112 1.0 10.84 ? 189 THR A C 1 189 . A ATOM 1503 O O . THR A 1 189 ? -11.161 19.810 12.701 1.0 11.41 ? 189 THR A O 1 189 . A ATOM 1504 C CB . THR A 1 189 ? -9.816 19.927 9.597 1.0 10.56 ? 189 THR A CB 1 189 . A ATOM 1505 O OG1 . THR A 1 189 ? -10.112 20.585 8.347 1.0 10.12 ? 189 THR A OG1 1 189 . A ATOM 1506 C CG2 . THR A 1 189 ? -10.593 18.617 9.673 1.0 10.76 ? 189 THR A CG2 1 189 . A ATOM 1507 N N . PHE A 1 190 ? -8.910 20.018 12.618 1.0 9.77 ? 190 PHE A N 1 190 . A ATOM 1508 C CA . PHE A 1 190 ? -8.676 19.424 13.926 1.0 10.05 ? 190 PHE A CA 1 190 . A ATOM 1509 C C . PHE A 1 190 ? -9.358 20.209 15.056 1.0 9.92 ? 190 PHE A C 1 190 . A ATOM 1510 O O . PHE A 1 190 ? -10.006 19.597 15.925 1.0 9.52 ? 190 PHE A O 1 190 . A ATOM 1511 C CB . PHE A 1 190 ? -7.163 19.372 14.182 1.0 9.65 ? 190 PHE A CB 1 190 . A ATOM 1512 C CG . PHE A 1 190 ? -6.796 18.625 15.424 1.0 10.91 ? 190 PHE A CG 1 190 . A ATOM 1513 C CD1 . PHE A 1 190 ? -6.985 17.251 15.497 1.0 11.72 ? 190 PHE A CD1 1 190 . A ATOM 1514 C CD2 . PHE A 1 190 ? -6.294 19.300 16.517 1.0 12.38 ? 190 PHE A CD2 1 190 . A ATOM 1515 C CE1 . PHE A 1 190 ? -6.668 16.560 16.662 1.0 12.55 ? 190 PHE A CE1 1 190 . A ATOM 1516 C CE2 . PHE A 1 190 ? -5.976 18.595 17.698 1.0 11.87 ? 190 PHE A CE2 1 190 . A ATOM 1517 C CZ . PHE A 1 190 ? -6.166 17.240 17.754 1.0 11.81 ? 190 PHE A CZ 1 190 . A ATOM 1518 N N . LEU A 1 191 ? -9.219 21.538 15.074 1.0 10.0 ? 191 LEU A N 1 191 . A ATOM 1519 C CA . LEU A 1 191 ? -9.847 22.353 16.122 1.0 10.54 ? 191 LEU A CA 1 191 . A ATOM 1520 C C . LEU A 1 191 ? -11.365 22.292 16.035 1.0 12.26 ? 191 LEU A C 1 191 . A ATOM 1521 O O . LEU A 1 191 ? -12.057 22.386 17.054 1.0 13.04 ? 191 LEU A O 1 191 . A ATOM 1522 C CB . LEU A 1 191 ? -9.412 23.800 15.992 1.0 9.97 ? 191 LEU A CB 1 191 . A ATOM 1523 C CG . LEU A 1 191 ? -7.948 24.075 16.364 1.0 10.3 ? 191 LEU A CG 1 191 . A ATOM 1524 C CD1 . LEU A 1 191 ? -7.738 25.595 16.325 1.0 11.98 ? 191 LEU A CD1 1 191 . A ATOM 1525 C CD2 . LEU A 1 191 ? -7.659 23.534 17.775 1.0 11.37 ? 191 LEU A CD2 1 191 . A ATOM 1526 N N . THR A 1 192 ? -11.868 22.101 14.834 1.0 11.85 ? 192 THR A N 1 192 . A ATOM 1527 C CA . THR A 1 192 ? -13.305 22.025 14.608 1.0 14.45 ? 192 THR A CA 1 192 . A ATOM 1528 C C . THR A 1 192 ? -13.900 20.672 14.944 1.0 14.78 ? 192 THR A C 1 192 . A ATOM 1529 O O . THR A 1 192 ? -14.903 20.593 15.674 1.0 16.15 ? 192 THR A O 1 192 . A ATOM 1530 C CB . THR A 1 192 ? -13.619 22.346 13.160 1.0 14.66 ? 192 THR A CB 1 192 . A ATOM 1531 O OG1 . THR A 1 192 ? -13.308 23.719 12.901 1.0 15.6 ? 192 THR A OG1 1 192 . A ATOM 1532 C CG2 . THR A 1 192 ? -15.114 22.081 12.852 1.0 16.07 ? 192 THR A CG2 1 192 . A ATOM 1533 N N . ASN A 1 193 ? -13.286 19.608 14.440 1.0 14.35 ? 193 ASN A N 1 193 . A ATOM 1534 C CA . ASN A 1 193 ? -13.806 18.254 14.643 1.0 15.07 ? 193 ASN A CA 1 193 . A ATOM 1535 C C . ASN A 1 193 ? -13.394 17.549 15.917 1.0 15.44 ? 193 ASN A C 1 193 . A ATOM 1536 O O . ASN A 1 193 ? -14.159 16.757 16.452 1.0 15.93 ? 193 ASN A O 1 193 . A ATOM 1537 C CB . ASN A 1 193 ? -13.425 17.339 13.467 1.0 15.07 ? 193 ASN A CB 1 193 . A ATOM 1538 C CG . ASN A 1 193 ? -14.020 17.796 12.155 1.0 16.13 ? 193 ASN A CG 1 193 . A ATOM 1539 O OD1 . ASN A 1 193 ? -14.912 18.643 12.135 1.0 18.6 ? 193 ASN A OD1 1 193 . A ATOM 1540 N ND2 . ASN A 1 193 ? -13.524 17.247 11.057 1.0 17.66 ? 193 ASN A ND2 1 193 . A ATOM 1541 N N . ASP A 1 194 ? -12.194 17.831 16.410 1.0 14.78 ? 194 ASP A N 1 194 . A ATOM 1542 C CA . ASP A 1 194 ? -11.655 17.171 17.597 1.0 15.55 ? 194 ASP A CA 1 194 . A ATOM 1543 C C . ASP A 1 194 ? -11.615 18.099 18.809 1.0 14.89 ? 194 ASP A C 1 194 . A ATOM 1544 O O . ASP A 1 194 ? -12.129 17.754 19.871 1.0 15.32 ? 194 ASP A O 1 194 . A ATOM 1545 C CB . ASP A 1 194 ? -10.244 16.617 17.274 1.0 17.33 ? 194 ASP A CB 1 194 . A ATOM 1546 C CG . ASP A 1 194 ? -9.788 15.541 18.252 1.0 20.76 ? 194 ASP A CG 1 194 . A ATOM 1547 O OD1 . ASP A 1 194 ? -9.290 14.482 17.788 1.0 22.61 ? 194 ASP A OD1 1 194 . A ATOM 1548 O OD2 . ASP A 1 194 ? -9.913 15.741 19.480 1.0 21.12 ? 194 ASP A OD2 1 194 . A ATOM 1549 N N . ASN A 1 195 ? -10.975 19.255 18.666 1.0 14.71 ? 195 ASN A N 1 195 . A ATOM 1550 C CA . ASN A 1 195 ? -10.904 20.264 19.726 1.0 14.22 ? 195 ASN A CA 1 195 . A ATOM 1551 C C . ASN A 1 195 ? -10.605 19.656 21.097 1.0 13.58 ? 195 ASN A C 1 195 . A ATOM 1552 O O . ASN A 1 195 ? -11.393 19.817 22.043 1.0 14.68 ? 195 ASN A O 1 195 . A ATOM 1553 C CB . ASN A 1 195 ? -12.246 21.014 19.766 1.0 15.52 ? 195 ASN A CB 1 195 . A ATOM 1554 C CG . ASN A 1 195 ? -12.152 22.346 20.472 1.0 17.25 ? 195 ASN A CG 1 195 . A ATOM 1555 O OD1 . ASN A 1 195 ? -11.070 22.949 20.570 1.0 16.6 ? 195 ASN A OD1 1 195 . A ATOM 1556 N ND2 . ASN A 1 195 ? -13.298 22.845 20.947 1.0 19.07 ? 195 ASN A ND2 1 195 . A ATOM 1557 N N . PRO A 1 196 ? -9.462 18.951 21.236 1.0 12.99 ? 196 PRO A N 1 196 . A ATOM 1558 C CA . PRO A 1 196 ? -9.178 18.365 22.545 1.0 13.02 ? 196 PRO A CA 1 196 . A ATOM 1559 C C . PRO A 1 196 ? -9.038 19.392 23.652 1.0 13.14 ? 196 PRO A C 1 196 . A ATOM 1560 O O . PRO A 1 196 ? -8.498 20.480 23.474 1.0 12.08 ? 196 PRO A O 1 196 . A ATOM 1561 C CB . PRO A 1 196 ? -7.900 17.563 22.300 1.0 14.0 ? 196 PRO A CB 1 196 . A ATOM 1562 C CG . PRO A 1 196 ? -7.209 18.366 21.303 1.0 12.94 ? 196 PRO A CG 1 196 . A ATOM 1563 C CD . PRO A 1 196 ? -8.310 18.768 20.334 1.0 13.73 ? 196 PRO A CD 1 196 . A ATOM 1564 N N . GLN A 1 197 ? -9.561 19.040 24.812 1.0 13.58 ? 197 GLN A N 1 197 . A ATOM 1565 C CA . GLN A 1 197 ? -9.540 19.958 25.935 1.0 13.94 ? 197 GLN A CA 1 197 . A ATOM 1566 C C . GLN A 1 197 ? -8.197 20.310 26.556 1.0 12.68 ? 197 GLN A C 1 197 . A ATOM 1567 O O . GLN A 1 197 ? -8.009 21.430 27.026 1.0 13.07 ? 197 GLN A O 1 197 . A ATOM 1568 C CB . GLN A 1 197 ? -10.442 19.417 27.046 1.0 16.78 ? 197 GLN A CB 1 197 . A ATOM 1569 C CG . GLN A 1 197 ? -10.377 20.228 28.348 1.0 21.48 ? 197 GLN A CG 1 197 . A ATOM 1570 C CD . GLN A 1 197 ? -11.099 21.557 28.267 1.0 24.18 ? 197 GLN A CD 1 197 . A ATOM 1571 O OE1 . GLN A 1 197 ? -12.237 21.625 27.782 1.0 26.39 ? 197 GLN A OE1 1 197 . A ATOM 1572 N NE2 . GLN A 1 197 ? -10.456 22.627 28.762 1.0 25.22 ? 197 GLN A NE2 1 197 . A ATOM 1573 N N . CYS A 1 198 ? -7.243 19.381 26.541 1.0 12.05 ? 198 CYS A N 1 198 . A ATOM 1574 C CA . CYS A 1 198 ? -6.004 19.683 27.235 1.0 12.34 ? 198 CYS A CA 1 198 . A ATOM 1575 C C . CYS A 1 198 ? -5.265 20.885 26.701 1.0 12.34 ? 198 CYS A C 1 198 . A ATOM 1576 O O . CYS A 1 198 ? -4.620 21.582 27.471 1.0 12.93 ? 198 CYS A O 1 198 . A ATOM 1577 C CB . CYS A 1 198 ? -5.085 18.450 27.295 1.0 12.1 ? 198 CYS A CB 1 198 . A ATOM 1578 S SG . CYS A 1 198 ? -3.897 18.124 25.946 1.0 13.77 ? 198 CYS A SG 1 198 . A ATOM 1579 N N . ILE A 1 199 ? -5.403 21.188 25.416 1.0 11.1 ? 199 ILE A N 1 199 . A ATOM 1580 C CA . ILE A 1 199 ? -4.659 22.313 24.862 1.0 11.28 ? 199 ILE A CA 1 199 . A ATOM 1581 C C . ILE A 1 199 ? -5.376 23.656 25.015 1.0 11.27 ? 199 ILE A C 1 199 . A ATOM 1582 O O . ILE A 1 199 ? -4.851 24.691 24.624 1.0 10.24 ? 199 ILE A O 1 199 . A ATOM 1583 C CB . ILE A 1 199 ? -4.221 22.049 23.388 1.0 10.78 ? 199 ILE A CB 1 199 . A ATOM 1584 C CG1 . ILE A 1 199 ? -5.414 21.796 22.479 1.0 11.91 ? 199 ILE A CG1 1 199 . A ATOM 1585 C CG2 . ILE A 1 199 ? -3.269 20.835 23.352 1.0 11.48 ? 199 ILE A CG2 1 199 . A ATOM 1586 C CD1 . ILE A 1 199 ? -5.066 21.876 20.985 1.0 12.44 ? 199 ILE A CD1 1 199 . A ATOM 1587 N N . LEU A 1 200 ? -6.539 23.637 25.664 1.0 12.38 ? 200 LEU A N 1 200 . A ATOM 1588 C CA . LEU A 1 200 ? -7.252 24.877 25.932 1.0 14.43 ? 200 LEU A CA 1 200 . A ATOM 1589 C C . LEU A 1 200 ? -6.746 25.400 27.258 1.0 16.08 ? 200 LEU A C 1 200 . A ATOM 1590 O O . LEU A 1 200 ? -6.955 26.555 27.573 1.0 17.57 ? 200 LEU A O 1 200 . A ATOM 1591 C CB . LEU A 1 200 ? -8.759 24.618 26.035 1.0 15.77 ? 200 LEU A CB 1 200 . A ATOM 1592 C CG . LEU A 1 200 ? -9.492 24.617 24.694 1.0 17.06 ? 200 LEU A CG 1 200 . A ATOM 1593 C CD1 . LEU A 1 200 ? -9.622 26.036 24.198 1.0 18.67 ? 200 LEU A CD1 1 200 . A ATOM 1594 C CD2 . LEU A 1 200 ? -8.761 23.768 23.709 1.0 20.06 ? 200 LEU A CD2 1 200 . A ATOM 1595 N N . ASN A 1 201 ? -6.055 24.541 28.007 1.0 17.24 ? 201 ASN A N 1 201 . A ATOM 1596 C CA . ASN A 1 201 ? -5.549 24.889 29.324 1.0 18.51 ? 201 ASN A CA 1 201 . A ATOM 1597 C C . ASN A 1 201 ? -4.168 25.535 29.377 1.0 17.75 ? 201 ASN A C 1 201 . A ATOM 1598 O O . ASN A 1 201 ? -3.165 24.921 29.011 1.0 18.62 ? 201 ASN A O 1 201 . A ATOM 1599 C CB . ASN A 1 201 ? -5.532 23.651 30.228 1.0 20.54 ? 201 ASN A CB 1 201 . A ATOM 1600 C CG . ASN A 1 201 ? -6.869 22.942 30.287 1.0 22.04 ? 201 ASN A CG 1 201 . A ATOM 1601 O OD1 . ASN A 1 201 ? -7.931 23.570 30.251 1.0 23.52 ? 201 ASN A OD1 1 201 . A ATOM 1602 N ND2 . ASN A 1 201 ? -6.826 21.623 30.406 1.0 22.77 ? 201 ASN A ND2 1 201 . A ATOM 1603 N N . ALA A 1 202 ? -4.114 26.773 29.842 1.0 17.76 ? 202 ALA A N 1 202 . A ATOM 1604 C CA . ALA A 1 202 ? -2.834 27.456 29.991 1.0 17.08 ? 202 ALA A CA 1 202 . A ATOM 1605 C C . ALA A 1 202 ? -2.150 26.833 31.219 1.0 16.75 ? 202 ALA A C 1 202 . A ATOM 1606 O O . ALA A 1 202 ? -2.828 26.358 32.134 1.0 17.82 ? 202 ALA A O 1 202 . A ATOM 1607 C CB . ALA A 1 202 ? -3.056 28.935 30.227 1.0 17.58 ? 202 ALA A CB 1 202 . A ATOM 1608 N N . PRO A 1 203 ? -0.811 26.811 31.257 1.0 15.27 ? 203 PRO A N 1 203 . A ATOM 1609 C CA . PRO A 1 203 ? -0.092 26.233 32.404 1.0 15.89 ? 203 PRO A CA 1 203 . A ATOM 1610 C C . PRO A 1 203 ? -0.439 26.974 33.699 1.0 17.34 ? 203 PRO A C 1 203 . A ATOM 1611 O O . PRO A 1 203 ? -0.748 28.172 33.639 1.0 17.89 ? 203 PRO A O 1 203 . A ATOM 1612 C CB . PRO A 1 203 ? 1.375 26.423 32.029 1.0 15.81 ? 203 PRO A CB 1 203 . A ATOM 1613 C CG . PRO A 1 203 ? 1.365 26.401 30.503 1.0 14.61 ? 203 PRO A CG 1 203 . A ATOM 1614 C CD . PRO A 1 203 ? 0.116 27.207 30.176 1.0 15.4 ? 203 PRO A CD 1 203 . A ATOM 1615 O OXT . PRO A 1 203 ? -0.355 26.351 34.772 1.0 16.93 ? 203 PRO A OXT 1 203 . A ATOM 1616 N N . GLN AA 1 3 ? -37.400 5.117 51.270 1.0 24.85 ? 3 GLN AA N 1 3 . A ATOM 1617 C CA . GLN AA 1 3 ? -35.987 4.630 51.152 1.0 23.16 ? 3 GLN AA CA 1 3 . A ATOM 1618 C C . GLN AA 1 3 ? -35.066 5.692 51.747 1.0 21.6 ? 3 GLN AA C 1 3 . A ATOM 1619 O O . GLN AA 1 3 ? -35.140 6.877 51.393 1.0 22.03 ? 3 GLN AA O 1 3 . A ATOM 1620 C CB . GLN AA 1 3 ? -35.613 4.395 49.678 1.0 25.04 ? 3 GLN AA CB 1 3 . A ATOM 1621 C CG . GLN AA 1 3 ? -34.324 3.618 49.464 1.0 27.62 ? 3 GLN AA CG 1 3 . A ATOM 1622 C CD . GLN AA 1 3 ? -34.541 2.107 49.360 1.0 28.62 ? 3 GLN AA CD 1 3 . A ATOM 1623 O OE1 . GLN AA 1 3 ? -33.948 1.314 50.110 1.0 29.88 ? 3 GLN AA OE1 1 3 . A ATOM 1624 N NE2 . GLN AA 1 3 ? -35.385 1.702 48.418 1.0 29.15 ? 3 GLN AA NE2 1 3 . A ATOM 1625 N N . ARG AA 1 4 ? -34.184 5.264 52.640 1.0 18.38 ? 4 ARG AA N 1 4 . A ATOM 1626 C CA . ARG AA 1 4 ? -33.257 6.183 53.274 1.0 15.7 ? 4 ARG AA CA 1 4 . A ATOM 1627 C C . ARG AA 1 4 ? -32.194 6.746 52.337 1.0 14.39 ? 4 ARG AA C 1 4 . A ATOM 1628 O O . ARG AA 1 4 ? -31.769 7.892 52.483 1.0 15.1 ? 4 ARG AA O 1 4 . A ATOM 1629 C CB . ARG AA 1 4 ? -32.592 5.490 54.455 1.0 14.42 ? 4 ARG AA CB 1 4 . A ATOM 1630 C CG . ARG AA 1 4 ? -31.402 6.236 55.011 1.0 14.5 ? 4 ARG AA CG 1 4 . A ATOM 1631 C CD . ARG AA 1 4 ? -30.875 5.589 56.267 1.0 14.24 ? 4 ARG AA CD 1 4 . A ATOM 1632 N NE . ARG AA 1 4 ? -29.702 6.325 56.734 1.0 14.75 ? 4 ARG AA NE 1 4 . A ATOM 1633 C CZ . ARG AA 1 4 ? -29.002 6.030 57.820 1.0 13.75 ? 4 ARG AA CZ 1 4 . A ATOM 1634 N NH1 . ARG AA 1 4 ? -29.362 5.006 58.590 1.0 15.06 ? 4 ARG AA NH1 1 4 . A ATOM 1635 N NH2 . ARG AA 1 4 ? -27.902 6.730 58.092 1.0 14.42 ? 4 ARG AA NH2 1 4 . A ATOM 1636 N N . PHE AA 1 5 ? -31.764 5.956 51.355 1.0 11.86 ? 5 PHE AA N 1 5 . A ATOM 1637 C CA . PHE AA 1 5 ? -30.730 6.384 50.432 1.0 11.14 ? 5 PHE AA CA 1 5 . A ATOM 1638 C C . PHE AA 1 5 ? -31.211 6.542 49.003 1.0 10.7 ? 5 PHE AA C 1 5 . A ATOM 1639 O O . PHE AA 1 5 ? -32.101 5.840 48.575 1.0 10.62 ? 5 PHE AA O 1 5 . A ATOM 1640 C CB . PHE AA 1 5 ? -29.578 5.346 50.448 1.0 9.79 ? 5 PHE AA CB 1 5 . A ATOM 1641 C CG . PHE AA 1 5 ? -28.878 5.255 51.770 1.0 8.4 ? 5 PHE AA CG 1 5 . A ATOM 1642 C CD1 . PHE AA 1 5 ? -29.088 4.181 52.623 1.0 9.21 ? 5 PHE AA CD1 1 5 . A ATOM 1643 C CD2 . PHE AA 1 5 ? -28.044 6.281 52.179 1.0 8.88 ? 5 PHE AA CD2 1 5 . A ATOM 1644 C CE1 . PHE AA 1 5 ? -28.472 4.130 53.866 1.0 8.69 ? 5 PHE AA CE1 1 5 . A ATOM 1645 C CE2 . PHE AA 1 5 ? -27.433 6.231 53.410 1.0 9.07 ? 5 PHE AA CE2 1 5 . A ATOM 1646 C CZ . PHE AA 1 5 ? -27.654 5.147 54.247 1.0 8.86 ? 5 PHE AA CZ 1 5 . A ATOM 1647 N N . PRO AA 1 6 ? -30.602 7.464 48.252 1.0 11.9 ? 6 PRO AA N 1 6 . A ATOM 1648 C CA . PRO AA 1 6 ? -30.948 7.710 46.847 1.0 12.23 ? 6 PRO AA CA 1 6 . A ATOM 1649 C C . PRO AA 1 6 ? -30.420 6.513 46.031 1.0 12.04 ? 6 PRO AA C 1 6 . A ATOM 1650 O O . PRO AA 1 6 ? -29.484 5.823 46.460 1.0 12.46 ? 6 PRO AA O 1 6 . A ATOM 1651 C CB . PRO AA 1 6 ? -30.213 9.004 46.534 1.0 12.4 ? 6 PRO AA CB 1 6 . A ATOM 1652 C CG . PRO AA 1 6 ? -28.979 8.872 47.369 1.0 12.36 ? 6 PRO AA CG 1 6 . A ATOM 1653 C CD . PRO AA 1 6 ? -29.516 8.359 48.686 1.0 12.08 ? 6 PRO AA CD 1 6 . A ATOM 1654 N N . GLN AA 1 7 ? -31.015 6.256 44.878 1.0 10.79 ? 7 GLN AA N 1 7 . A ATOM 1655 C CA . GLN AA 1 7 ? -30.628 5.119 44.039 1.0 9.76 ? 7 GLN AA CA 1 7 . A ATOM 1656 C C . GLN AA 1 7 ? -29.196 5.206 43.547 1.0 9.22 ? 7 GLN AA C 1 7 . A ATOM 1657 O O . GLN AA 1 7 ? -28.739 6.264 43.088 1.0 9.6 ? 7 GLN AA O 1 7 . A ATOM 1658 C CB . GLN AA 1 7 ? -31.531 5.066 42.798 1.0 10.05 ? 7 GLN AA CB 1 7 . A ATOM 1659 C CG . GLN AA 1 7 ? -31.249 3.868 41.895 1.0 12.43 ? 7 GLN AA CG 1 7 . A ATOM 1660 C CD . GLN AA 1 7 ? -31.763 2.577 42.504 1.0 13.15 ? 7 GLN AA CD 1 7 . A ATOM 1661 O OE1 . GLN AA 1 7 ? -32.952 2.428 42.754 1.0 14.73 ? 7 GLN AA OE1 1 7 . A ATOM 1662 N NE2 . GLN AA 1 7 ? -30.863 1.638 42.765 1.0 13.01 ? 7 GLN AA NE2 1 7 . A ATOM 1663 N N . ARG AA 1 8 ? -28.478 4.088 43.689 1.0 7.83 ? 8 ARG AA N 1 8 . A ATOM 1664 C CA . ARG AA 1 8 ? -27.130 3.996 43.126 1.0 7.8 ? 8 ARG AA CA 1 8 . A ATOM 1665 C C . ARG AA 1 8 ? -27.041 2.637 42.440 1.0 7.16 ? 8 ARG AA C 1 8 . A ATOM 1666 O O . ARG AA 1 8 ? -27.911 1.764 42.596 1.0 7.39 ? 8 ARG AA O 1 8 . A ATOM 1667 C CB . ARG AA 1 8 ? -26.034 4.157 44.188 1.0 9.11 ? 8 ARG AA CB 1 8 . A ATOM 1668 C CG . ARG AA 1 8 ? -25.972 5.551 44.781 1.0 9.07 ? 8 ARG AA CG 1 8 . A ATOM 1669 C CD . ARG AA 1 8 ? -25.406 6.525 43.770 1.0 9.62 ? 8 ARG AA CD 1 8 . A ATOM 1670 N NE . ARG AA 1 8 ? -25.106 7.856 44.323 1.0 10.97 ? 8 ARG AA NE 1 8 . A ATOM 1671 C CZ . ARG AA 1 8 ? -25.998 8.820 44.526 1.0 11.7 ? 8 ARG AA CZ 1 8 . A ATOM 1672 N NH1 . ARG AA 1 8 ? -25.584 9.983 45.012 1.0 13.09 ? 8 ARG AA NH1 1 8 . A ATOM 1673 N NH2 . ARG AA 1 8 ? -27.280 8.628 44.247 1.0 13.45 ? 8 ARG AA NH2 1 8 . A ATOM 1674 N N . TYR AA 1 9 ? -25.961 2.455 41.715 1.0 7.65 ? 9 TYR AA N 1 9 . A ATOM 1675 C CA . TYR AA 1 9 ? -25.738 1.238 40.957 1.0 7.86 ? 9 TYR AA CA 1 9 . A ATOM 1676 C C . TYR AA 1 9 ? -24.279 0.834 41.028 1.0 9.14 ? 9 TYR AA C 1 9 . A ATOM 1677 O O . TYR AA 1 9 ? -23.409 1.686 40.896 1.0 11.8 ? 9 TYR AA O 1 9 . A ATOM 1678 C CB . TYR AA 1 9 ? -26.062 1.445 39.480 1.0 9.89 ? 9 TYR AA CB 1 9 . A ATOM 1679 C CG . TYR AA 1 9 ? -27.407 2.058 39.222 1.0 9.51 ? 9 TYR AA CG 1 9 . A ATOM 1680 C CD1 . TYR AA 1 9 ? -27.573 3.438 39.260 1.0 11.11 ? 9 TYR AA CD1 1 9 . A ATOM 1681 C CD2 . TYR AA 1 9 ? -28.512 1.258 38.951 1.0 10.66 ? 9 TYR AA CD2 1 9 . A ATOM 1682 C CE1 . TYR AA 1 9 ? -28.823 4.015 39.028 1.0 11.29 ? 9 TYR AA CE1 1 9 . A ATOM 1683 C CE2 . TYR AA 1 9 ? -29.768 1.830 38.716 1.0 11.15 ? 9 TYR AA CE2 1 9 . A ATOM 1684 C CZ . TYR AA 1 9 ? -29.897 3.200 38.756 1.0 12.11 ? 9 TYR AA CZ 1 9 . A ATOM 1685 O OH . TYR AA 1 9 ? -31.115 3.762 38.462 1.0 14.84 ? 9 TYR AA OH 1 9 . A ATOM 1686 N N . ILE AA 1 10 ? -24.002 -0.442 41.230 1.0 8.13 ? 10 ILE AA N 1 10 . A ATOM 1687 C CA . ILE AA 1 10 ? -22.606 -0.880 41.171 1.0 7.96 ? 10 ILE AA CA 1 10 . A ATOM 1688 C C . ILE AA 1 10 ? -22.524 -2.018 40.167 1.0 7.54 ? 10 ILE AA C 1 10 . A ATOM 1689 O O . ILE AA 1 10 ? -23.147 -3.069 40.342 1.0 7.64 ? 10 ILE AA O 1 10 . A ATOM 1690 C CB . ILE AA 1 10 ? -22.040 -1.350 42.536 1.0 7.74 ? 10 ILE AA CB 1 10 . A ATOM 1691 C CG1 . ILE AA 1 10 ? -21.963 -0.160 43.514 1.0 9.61 ? 10 ILE AA CG1 1 10 . A ATOM 1692 C CG2 . ILE AA 1 10 ? -20.654 -1.979 42.332 1.0 8.57 ? 10 ILE AA CG2 1 10 . A ATOM 1693 C CD1 . ILE AA 1 10 ? -21.602 -0.531 44.940 1.0 9.54 ? 10 ILE AA CD1 1 10 . A ATOM 1694 N N . GLU AA 1 11 ? -21.786 -1.769 39.094 1.0 7.35 ? 11 GLU AA N 1 11 . A ATOM 1695 C CA . GLU AA 1 11 ? -21.565 -2.755 38.040 1.0 8.07 ? 11 GLU AA CA 1 11 . A ATOM 1696 C C . GLU AA 1 11 ? -20.286 -3.493 38.380 1.0 7.11 ? 11 GLU AA C 1 11 . A ATOM 1697 O O . GLU AA 1 11 ? -19.182 -2.939 38.285 1.0 7.7 ? 11 GLU AA O 1 11 . A ATOM 1698 C CB . GLU AA 1 11 ? -21.440 -2.076 36.692 1.0 12.08 ? 11 GLU AA CB 1 11 . A ATOM 1699 C CG . GLU AA 1 11 ? -22.777 -1.719 36.136 1.0 18.78 ? 11 GLU AA CG 1 11 . A ATOM 1700 C CD . GLU AA 1 11 ? -23.137 -0.307 36.393 1.0 21.67 ? 11 GLU AA CD 1 11 . A ATOM 1701 O OE1 . GLU AA 1 11 ? -23.770 -0.019 37.437 1.0 25.55 ? 11 GLU AA OE1 1 11 . A ATOM 1702 O OE2 . GLU AA 1 11 ? -22.773 0.524 35.535 1.0 23.76 ? 11 GLU AA OE2 1 11 . A ATOM 1703 N N . LEU AA 1 12 ? -20.436 -4.742 38.787 1.0 6.19 ? 12 LEU AA N 1 12 . A ATOM 1704 C CA . LEU AA 1 12 ? -19.308 -5.529 39.250 1.0 5.84 ? 12 LEU AA CA 1 12 . A ATOM 1705 C C . LEU AA 1 12 ? -18.616 -6.369 38.242 1.0 5.91 ? 12 LEU AA C 1 12 . A ATOM 1706 O O . LEU AA 1 12 ? -19.246 -6.912 37.331 1.0 8.08 ? 12 LEU AA O 1 12 . A ATOM 1707 C CB . LEU AA 1 12 ? -19.771 -6.529 40.314 1.0 8.01 ? 12 LEU AA CB 1 12 . A ATOM 1708 C CG . LEU AA 1 12 ? -20.270 -6.132 41.669 1.0 9.53 ? 12 LEU AA CG 1 12 . A ATOM 1709 C CD1 . LEU AA 1 12 ? -20.679 -7.406 42.395 1.0 9.92 ? 12 LEU AA CD1 1 12 . A ATOM 1710 C CD2 . LEU AA 1 12 ? -19.151 -5.467 42.435 1.0 10.11 ? 12 LEU AA CD2 1 12 . A ATOM 1711 N N . ALA AA 1 13 ? -17.301 -6.450 38.347 1.0 5.43 ? 13 ALA AA N 1 13 . A ATOM 1712 C CA . ALA AA 1 13 ? -16.558 -7.453 37.597 1.0 5.13 ? 13 ALA AA CA 1 13 . A ATOM 1713 C C . ALA AA 1 13 ? -16.036 -8.439 38.652 1.0 5.1 ? 13 ALA AA C 1 13 . A ATOM 1714 O O . ALA AA 1 13 ? -15.582 -8.042 39.742 1.0 6.52 ? 13 ALA AA O 1 13 . A ATOM 1715 C CB . ALA AA 1 13 ? -15.390 -6.858 36.835 1.0 6.77 ? 13 ALA AA CB 1 13 . A ATOM 1716 N N . ILE AA 1 14 ? -16.163 -9.721 38.363 1.0 5.38 ? 14 ILE AA N 1 14 . A ATOM 1717 C CA . ILE AA 1 14 ? -15.630 -10.762 39.247 1.0 6.35 ? 14 ILE AA CA 1 14 . A ATOM 1718 C C . ILE AA 1 14 ? -14.627 -11.536 38.425 1.0 6.7 ? 14 ILE AA C 1 14 . A ATOM 1719 O O . ILE AA 1 14 ? -14.918 -11.952 37.291 1.0 6.57 ? 14 ILE AA O 1 14 . A ATOM 1720 C CB . ILE AA 1 14 ? -16.742 -11.741 39.738 1.0 7.15 ? 14 ILE AA CB 1 14 . A ATOM 1721 C CG1 . ILE AA 1 14 ? -17.801 -11.005 40.585 1.0 7.95 ? 14 ILE AA CG1 1 14 . A ATOM 1722 C CG2 . ILE AA 1 14 ? -16.075 -12.883 40.504 1.0 8.23 ? 14 ILE AA CG2 1 14 . A ATOM 1723 C CD1 . ILE AA 1 14 ? -17.264 -10.254 41.794 1.0 10.84 ? 14 ILE AA CD1 1 14 . A ATOM 1724 N N . VAL AA 1 15 ? -13.435 -11.715 38.982 1.0 6.18 ? 15 VAL AA N 1 15 . A ATOM 1725 C CA . VAL AA 1 15 ? -12.366 -12.463 38.329 1.0 6.42 ? 15 VAL AA CA 1 15 . A ATOM 1726 C C . VAL AA 1 15 ? -12.098 -13.704 39.158 1.0 5.89 ? 15 VAL AA C 1 15 . A ATOM 1727 O O . VAL AA 1 15 ? -11.918 -13.579 40.382 1.0 7.24 ? 15 VAL AA O 1 15 . A ATOM 1728 C CB . VAL AA 1 15 ? -11.095 -11.581 38.230 1.0 7.2 ? 15 VAL AA CB 1 15 . A ATOM 1729 C CG1 . VAL AA 1 15 ? -9.975 -12.372 37.558 1.0 8.71 ? 15 VAL AA CG1 1 15 . A ATOM 1730 C CG2 . VAL AA 1 15 ? -11.427 -10.265 37.511 1.0 8.72 ? 15 VAL AA CG2 1 15 . A ATOM 1731 N N . VAL AA 1 16 ? -12.094 -14.880 38.531 1.0 6.23 ? 16 VAL AA N 1 16 . A ATOM 1732 C CA . VAL AA 1 16 ? -11.873 -16.140 39.253 1.0 6.58 ? 16 VAL AA CA 1 16 . A ATOM 1733 C C . VAL AA 1 16 ? -10.490 -16.581 38.841 1.0 6.07 ? 16 VAL AA C 1 16 . A ATOM 1734 O O . VAL AA 1 16 ? -10.229 -16.759 37.648 1.0 7.46 ? 16 VAL AA O 1 16 . A ATOM 1735 C CB . VAL AA 1 16 ? -12.945 -17.183 38.865 1.0 5.81 ? 16 VAL AA CB 1 16 . A ATOM 1736 C CG1 . VAL AA 1 16 ? -12.617 -18.557 39.489 1.0 8.41 ? 16 VAL AA CG1 1 16 . A ATOM 1737 C CG2 . VAL AA 1 16 ? -14.322 -16.700 39.329 1.0 8.05 ? 16 VAL AA CG2 1 16 . A ATOM 1738 N N . ASP AA 1 17 ? -9.596 -16.740 39.807 1.0 6.26 ? 17 ASP AA N 1 17 . A ATOM 1739 C CA . ASP AA 1 17 ? -8.227 -17.083 39.437 1.0 7.84 ? 17 ASP AA CA 1 17 . A ATOM 1740 C C . ASP AA 1 17 ? -8.048 -18.548 39.065 1.0 7.43 ? 17 ASP AA C 1 17 . A ATOM 1741 O O . ASP AA 1 17 ? -8.968 -19.346 39.165 1.0 7.55 ? 17 ASP AA O 1 17 . A ATOM 1742 C CB . ASP AA 1 17 ? -7.258 -16.585 40.529 1.0 7.39 ? 17 ASP AA CB 1 17 . A ATOM 1743 C CG . ASP AA 1 17 ? -7.149 -17.502 41.730 1.0 6.85 ? 17 ASP AA CG 1 17 . A ATOM 1744 O OD1 . ASP AA 1 17 ? -6.254 -17.205 42.518 1.0 8.57 ? 17 ASP AA OD1 1 17 . A ATOM 1745 O OD2 . ASP AA 1 17 ? -7.915 -18.448 41.893 1.0 8.41 ? 17 ASP AA OD2 1 17 . A ATOM 1746 N N . HIS AA 1 18 ? -6.846 -18.898 38.603 1.0 8.39 ? 18 HIS AA N 1 18 . A ATOM 1747 C CA . HIS AA 1 18 ? -6.615 -20.248 38.151 1.0 9.17 ? 18 HIS AA CA 1 18 . A ATOM 1748 C C . HIS AA 1 18 ? -6.718 -21.311 39.235 1.0 8.82 ? 18 HIS AA C 1 18 . A ATOM 1749 O O . HIS AA 1 18 ? -7.199 -22.407 38.961 1.0 10.13 ? 18 HIS AA O 1 18 . A ATOM 1750 C CB . HIS AA 1 18 ? -5.271 -20.322 37.423 1.0 11.22 ? 18 HIS AA CB 1 18 . A ATOM 1751 C CG . HIS AA 1 18 ? -5.104 -21.581 36.629 1.0 14.01 ? 18 HIS AA CG 1 18 . A ATOM 1752 N ND1 . HIS AA 1 18 ? -5.869 -21.856 35.513 1.0 15.48 ? 18 HIS AA ND1 1 18 . A ATOM 1753 C CD2 . HIS AA 1 18 ? -4.314 -22.665 36.823 1.0 15.64 ? 18 HIS AA CD2 1 18 . A ATOM 1754 C CE1 . HIS AA 1 18 ? -5.559 -23.060 35.060 1.0 16.68 ? 18 HIS AA CE1 1 18 . A ATOM 1755 N NE2 . HIS AA 1 18 ? -4.621 -23.572 35.836 1.0 15.9 ? 18 HIS AA NE2 1 18 . A ATOM 1756 N N . GLY AA 1 19 ? -6.345 -20.971 40.464 1.0 8.87 ? 19 GLY AA N 1 19 . A ATOM 1757 C CA . GLY AA 1 19 ? -6.444 -21.953 41.536 1.0 9.49 ? 19 GLY AA CA 1 19 . A ATOM 1758 C C . GLY AA 1 19 ? -7.913 -22.249 41.828 1.0 9.7 ? 19 GLY AA C 1 19 . A ATOM 1759 O O . GLY AA 1 19 ? -8.298 -23.393 42.082 1.0 9.8 ? 19 GLY AA O 1 19 . A ATOM 1760 N N . MET AA 1 20 ? -8.758 -21.225 41.774 1.0 9.74 ? 20 MET AA N 1 20 . A ATOM 1761 C CA . MET AA 1 20 ? -10.172 -21.493 42.048 1.0 10.42 ? 20 MET AA CA 1 20 . A ATOM 1762 C C . MET AA 1 20 ? -10.764 -22.288 40.869 1.0 10.42 ? 20 MET AA C 1 20 . A ATOM 1763 O O . MET AA 1 20 ? -11.587 -23.171 41.071 1.0 10.16 ? 20 MET AA O 1 20 . A ATOM 1764 C CB . MET AA 1 20 ? -10.931 -20.177 42.331 1.0 11.57 ? 20 MET AA CB 1 20 . A ATOM 1765 C CG . MET AA 1 20 ? -12.425 -20.391 42.621 1.0 13.31 ? 20 MET AA CG 1 20 . A ATOM 1766 S SD . MET AA 1 20 ? -13.158 -18.892 43.341 1.0 14.59 ? 20 MET AA SD 1 20 . A ATOM 1767 C CE . MET AA 1 20 ? -14.944 -19.379 43.385 1.0 16.85 ? 20 MET AA CE 1 20 . A ATOM 1768 N N . TYR AA 1 21 ? -10.324 -21.986 39.648 1.0 10.9 ? 21 TYR AA N 1 21 . A ATOM 1769 C CA . TYR AA 1 21 ? -10.797 -22.714 38.470 1.0 11.75 ? 21 TYR AA CA 1 21 . A ATOM 1770 C C . TYR AA 1 21 ? -10.513 -24.218 38.669 1.0 12.15 ? 21 TYR AA C 1 21 . A ATOM 1771 O O . TYR AA 1 21 ? -11.395 -25.040 38.468 1.0 13.46 ? 21 TYR AA O 1 21 . A ATOM 1772 C CB . TYR AA 1 21 ? -10.072 -22.202 37.218 1.0 12.72 ? 21 TYR AA CB 1 21 . A ATOM 1773 C CG . TYR AA 1 21 ? -10.386 -22.950 35.934 1.0 14.98 ? 21 TYR AA CG 1 21 . A ATOM 1774 C CD1 . TYR AA 1 21 ? -11.620 -22.828 35.338 1.0 15.91 ? 21 TYR AA CD1 1 21 . A ATOM 1775 C CD2 . TYR AA 1 21 ? -9.424 -23.748 35.316 1.0 16.93 ? 21 TYR AA CD2 1 21 . A ATOM 1776 C CE1 . TYR AA 1 21 ? -11.905 -23.465 34.151 1.0 17.25 ? 21 TYR AA CE1 1 21 . A ATOM 1777 C CE2 . TYR AA 1 21 ? -9.696 -24.392 34.125 1.0 17.14 ? 21 TYR AA CE2 1 21 . A ATOM 1778 C CZ . TYR AA 1 21 ? -10.938 -24.240 33.544 1.0 18.27 ? 21 TYR AA CZ 1 21 . A ATOM 1779 O OH . TYR AA 1 21 ? -11.226 -24.796 32.303 1.0 20.93 ? 21 TYR AA OH 1 21 . A ATOM 1780 N N . THR AA 1 22 ? -9.297 -24.543 39.098 1.0 12.03 ? 22 THR AA N 1 22 . A ATOM 1781 C CA . THR AA 1 22 ? -8.868 -25.927 39.323 1.0 13.31 ? 22 THR AA CA 1 22 . A ATOM 1782 C C . THR AA 1 22 ? -9.638 -26.565 40.479 1.0 12.55 ? 22 THR AA C 1 22 . A ATOM 1783 O O . THR AA 1 22 ? -10.015 -27.748 40.427 1.0 12.33 ? 22 THR AA O 1 22 . A ATOM 1784 C CB . THR AA 1 22 ? -7.349 -25.962 39.601 1.0 14.07 ? 22 THR AA CB 1 22 . A ATOM 1785 O OG1 . THR AA 1 22 ? -6.673 -25.383 38.475 1.0 16.66 ? 22 THR AA OG1 1 22 . A ATOM 1786 C CG2 . THR AA 1 22 ? -6.860 -27.411 39.800 1.0 15.97 ? 22 THR AA CG2 1 22 . A ATOM 1787 N N . LYS AA 1 23 ? -9.887 -25.787 41.527 1.0 12.03 ? 23 LYS AA N 1 23 . A ATOM 1788 C CA . LYS AA 1 23 ? -10.633 -26.262 42.695 1.0 12.21 ? 23 LYS AA CA 1 23 . A ATOM 1789 C C . LYS AA 1 23 ? -12.034 -26.744 42.293 1.0 12.44 ? 23 LYS AA C 1 23 . A ATOM 1790 O O . LYS AA 1 23 ? -12.545 -27.723 42.840 1.0 12.72 ? 23 LYS AA O 1 23 . A ATOM 1791 C CB . LYS AA 1 23 ? -10.762 -25.124 43.729 1.0 11.07 ? 23 LYS AA CB 1 23 . A ATOM 1792 C CG . LYS AA 1 23 ? -11.713 -25.391 44.894 1.0 10.06 ? 23 LYS AA CG 1 23 . A ATOM 1793 C CD . LYS AA 1 23 ? -11.634 -24.239 45.923 1.0 10.53 ? 23 LYS AA CD 1 23 . A ATOM 1794 C CE . LYS AA 1 23 ? -12.622 -24.442 47.043 1.0 10.6 ? 23 LYS AA CE 1 23 . A ATOM 1795 N NZ . LYS AA 1 23 ? -12.643 -23.232 47.965 1.0 11.21 ? 23 LYS AA NZ 1 23 . A ATOM 1796 N N . TYR AA 1 24 ? -12.652 -26.037 41.350 1.0 12.64 ? 24 TYR AA N 1 24 . A ATOM 1797 C CA . TYR AA 1 24 ? -13.998 -26.394 40.911 1.0 13.8 ? 24 TYR AA CA 1 24 . A ATOM 1798 C C . TYR AA 1 24 ? -13.983 -27.256 39.666 1.0 15.01 ? 24 TYR AA C 1 24 . A ATOM 1799 O O . TYR AA 1 24 ? -14.794 -27.081 38.741 1.0 15.35 ? 24 TYR AA O 1 24 . A ATOM 1800 C CB . TYR AA 1 24 ? -14.832 -25.115 40.704 1.0 14.08 ? 24 TYR AA CB 1 24 . A ATOM 1801 C CG . TYR AA 1 24 ? -15.239 -24.520 42.035 1.0 13.19 ? 24 TYR AA CG 1 24 . A ATOM 1802 C CD1 . TYR AA 1 24 ? -16.321 -25.036 42.748 1.0 14.58 ? 24 TYR AA CD1 1 24 . A ATOM 1803 C CD2 . TYR AA 1 24 ? -14.445 -23.549 42.660 1.0 12.88 ? 24 TYR AA CD2 1 24 . A ATOM 1804 C CE1 . TYR AA 1 24 ? -16.596 -24.617 44.049 1.0 15.15 ? 24 TYR AA CE1 1 24 . A ATOM 1805 C CE2 . TYR AA 1 24 ? -14.721 -23.121 43.964 1.0 12.08 ? 24 TYR AA CE2 1 24 . A ATOM 1806 C CZ . TYR AA 1 24 ? -15.789 -23.656 44.645 1.0 13.34 ? 24 TYR AA CZ 1 24 . A ATOM 1807 O OH . TYR AA 1 24 ? -16.097 -23.251 45.928 1.0 15.06 ? 24 TYR AA OH 1 24 . A ATOM 1808 N N . SER AA 1 25 ? -13.024 -28.180 39.629 1.0 15.29 ? 25 SER AA N 1 25 . A ATOM 1809 C CA . SER AA 1 25 ? -12.895 -29.118 38.504 1.0 16.67 ? 25 SER AA CA 1 25 . A ATOM 1810 C C . SER AA 1 25 ? -12.778 -28.532 37.105 1.0 16.08 ? 25 SER AA C 1 25 . A ATOM 1811 O O . SER AA 1 25 ? -13.239 -29.154 36.133 1.0 16.33 ? 25 SER AA O 1 25 . A ATOM 1812 C CB . SER AA 1 25 ? -14.075 -30.059 38.519 1.0 17.95 ? 25 SER AA CB 1 25 . A ATOM 1813 O OG . SER AA 1 25 ? -14.199 -30.621 39.799 1.0 20.66 ? 25 SER AA OG 1 25 . A ATOM 1814 N N . SER AA 1 26 ? -12.185 -27.348 36.990 1.0 15.33 ? 26 SER AA N 1 26 . A ATOM 1815 C CA . SER AA 1 26 ? -12.019 -26.703 35.697 1.0 15.51 ? 26 SER AA CA 1 26 . A ATOM 1816 C C . SER AA 1 26 ? -13.346 -26.654 34.957 1.0 15.95 ? 26 SER AA C 1 26 . A ATOM 1817 O O . SER AA 1 26 ? -13.360 -26.721 33.734 1.0 17.0 ? 26 SER AA O 1 26 . A ATOM 1818 C CB . SER AA 1 26 ? -10.990 -27.490 34.871 1.0 15.77 ? 26 SER AA CB 1 26 . A ATOM 1819 O OG . SER AA 1 26 ? -9.785 -27.590 35.614 1.0 17.28 ? 26 SER AA OG 1 26 . A ATOM 1820 N N . ASN AA 1 27 ? -14.445 -26.491 35.698 1.0 15.33 ? 27 ASN AA N 1 27 . A ATOM 1821 C CA . ASN AA 1 27 ? -15.799 -26.488 35.127 1.0 15.88 ? 27 ASN AA CA 1 27 . A ATOM 1822 C C . ASN AA 1 27 ? -16.362 -25.062 35.091 1.0 15.39 ? 27 ASN AA C 1 27 . A ATOM 1823 O O . ASN AA 1 27 ? -16.843 -24.557 36.102 1.0 14.63 ? 27 ASN AA O 1 27 . A ATOM 1824 C CB . ASN AA 1 27 ? -16.662 -27.435 35.990 1.0 16.61 ? 27 ASN AA CB 1 27 . A ATOM 1825 C CG . ASN AA 1 27 ? -18.095 -27.610 35.492 1.0 18.69 ? 27 ASN AA CG 1 27 . A ATOM 1826 O OD1 . ASN AA 1 27 ? -18.756 -28.607 35.834 1.0 22.08 ? 27 ASN AA OD1 1 27 . A ATOM 1827 N ND2 . ASN AA 1 27 ? -18.590 -26.665 34.729 1.0 16.67 ? 27 ASN AA ND2 1 27 . A ATOM 1828 N N . PHE AA 1 28 ? -16.292 -24.420 33.932 1.0 15.54 ? 28 PHE AA N 1 28 . A ATOM 1829 C CA . PHE AA 1 28 ? -16.795 -23.052 33.787 1.0 15.58 ? 28 PHE AA CA 1 28 . A ATOM 1830 C C . PHE AA 1 28 ? -18.255 -22.876 34.211 1.0 16.05 ? 28 PHE AA C 1 28 . A ATOM 1831 O O . PHE AA 1 28 ? -18.581 -21.932 34.929 1.0 15.68 ? 28 PHE AA O 1 28 . A ATOM 1832 C CB . PHE AA 1 28 ? -16.623 -22.564 32.343 1.0 17.15 ? 28 PHE AA CB 1 28 . A ATOM 1833 C CG . PHE AA 1 28 ? -17.164 -21.181 32.110 1.0 17.79 ? 28 PHE AA CG 1 28 . A ATOM 1834 C CD1 . PHE AA 1 28 ? -16.402 -20.043 32.415 1.0 18.01 ? 28 PHE AA CD1 1 28 . A ATOM 1835 C CD2 . PHE AA 1 28 ? -18.470 -21.014 31.657 1.0 17.89 ? 28 PHE AA CD2 1 28 . A ATOM 1836 C CE1 . PHE AA 1 28 ? -16.957 -18.743 32.272 1.0 18.27 ? 28 PHE AA CE1 1 28 . A ATOM 1837 C CE2 . PHE AA 1 28 ? -19.029 -19.742 31.513 1.0 18.51 ? 28 PHE AA CE2 1 28 . A ATOM 1838 C CZ . PHE AA 1 28 ? -18.274 -18.604 31.822 1.0 18.01 ? 28 PHE AA CZ 1 28 . A ATOM 1839 N N . LYS AA 1 29 ? -19.138 -23.762 33.763 1.0 15.97 ? 29 LYS AA N 1 29 . A ATOM 1840 C CA . LYS AA 1 29 ? -20.560 -23.673 34.106 1.0 16.81 ? 29 LYS AA CA 1 29 . A ATOM 1841 C C . LYS AA 1 29 ? -20.772 -23.667 35.601 1.0 15.38 ? 29 LYS AA C 1 29 . A ATOM 1842 O O . LYS AA 1 29 ? -21.538 -22.856 36.110 1.0 13.9 ? 29 LYS AA O 1 29 . A ATOM 1843 C CB . LYS AA 1 29 ? -21.333 -24.849 33.504 1.0 18.81 ? 29 LYS AA CB 1 29 . A ATOM 1844 C CG . LYS AA 1 29 ? -21.199 -24.951 32.012 1.0 22.39 ? 29 LYS AA CG 1 29 . A ATOM 1845 C CD . LYS AA 1 29 ? -21.733 -23.735 31.300 1.0 25.38 ? 29 LYS AA CD 1 29 . A ATOM 1846 C CE . LYS AA 1 29 ? -21.453 -23.833 29.795 1.0 26.98 ? 29 LYS AA CE 1 29 . A ATOM 1847 N NZ . LYS AA 1 29 ? -21.965 -22.646 29.056 1.0 29.48 ? 29 LYS AA NZ 1 29 . A ATOM 1848 N N . LYS AA 1 30 ? -20.094 -24.571 36.307 1.0 14.47 ? 30 LYS AA N 1 30 . A ATOM 1849 C CA . LYS AA 1 30 ? -20.233 -24.644 37.756 1.0 13.99 ? 30 LYS AA CA 1 30 . A ATOM 1850 C C . LYS AA 1 30 ? -19.709 -23.374 38.430 1.0 11.98 ? 30 LYS AA C 1 30 . A ATOM 1851 O O . LYS AA 1 30 ? -20.319 -22.896 39.370 1.0 12.53 ? 30 LYS AA O 1 30 . A ATOM 1852 C CB . LYS AA 1 30 ? -19.499 -25.861 38.321 1.0 16.89 ? 30 LYS AA CB 1 30 . A ATOM 1853 C CG . LYS AA 1 30 ? -19.704 -26.004 39.817 1.0 19.72 ? 30 LYS AA CG 1 30 . A ATOM 1854 C CD . LYS AA 1 30 ? -18.792 -27.045 40.446 1.0 23.78 ? 30 LYS AA CD 1 30 . A ATOM 1855 C CE . LYS AA 1 30 ? -19.056 -28.432 39.912 1.0 24.99 ? 30 LYS AA CE 1 30 . A ATOM 1856 N NZ . LYS AA 1 30 ? -18.174 -29.422 40.627 1.0 26.89 ? 30 LYS AA NZ 1 30 . A ATOM 1857 N N . ILE AA 1 31 ? -18.594 -22.849 37.943 1.0 10.45 ? 31 ILE AA N 1 31 . A ATOM 1858 C CA . ILE AA 1 31 ? -17.994 -21.621 38.492 1.0 9.61 ? 31 ILE AA CA 1 31 . A ATOM 1859 C C . ILE AA 1 31 ? -18.942 -20.442 38.233 1.0 9.33 ? 31 ILE AA C 1 31 . A ATOM 1860 O O . ILE AA 1 31 ? -19.205 -19.628 39.116 1.0 8.3 ? 31 ILE AA O 1 31 . A ATOM 1861 C CB . ILE AA 1 31 ? -16.642 -21.353 37.827 1.0 10.39 ? 31 ILE AA CB 1 31 . A ATOM 1862 C CG1 . ILE AA 1 31 ? -15.657 -22.450 38.267 1.0 11.29 ? 31 ILE AA CG1 1 31 . A ATOM 1863 C CG2 . ILE AA 1 31 ? -16.133 -19.972 38.183 1.0 10.78 ? 31 ILE AA CG2 1 31 . A ATOM 1864 C CD1 . ILE AA 1 31 ? -14.385 -22.443 37.529 1.0 13.12 ? 31 ILE AA CD1 1 31 . A ATOM 1865 N N . ARG AA 1 32 ? -19.486 -20.352 37.029 1.0 9.28 ? 32 ARG AA N 1 32 . A ATOM 1866 C CA . ARG AA 1 32 ? -20.417 -19.254 36.718 1.0 9.87 ? 32 ARG AA CA 1 32 . A ATOM 1867 C C . ARG AA 1 32 ? -21.641 -19.312 37.638 1.0 9.33 ? 32 ARG AA C 1 32 . A ATOM 1868 O O . ARG AA 1 32 ? -22.119 -18.283 38.148 1.0 8.48 ? 32 ARG AA O 1 32 . A ATOM 1869 C CB . ARG AA 1 32 ? -20.893 -19.347 35.263 1.0 11.24 ? 32 ARG AA CB 1 32 . A ATOM 1870 C CG . ARG AA 1 32 ? -21.785 -18.152 34.855 1.0 12.7 ? 32 ARG AA CG 1 32 . A ATOM 1871 C CD . ARG AA 1 32 ? -22.118 -18.199 33.356 1.0 17.68 ? 32 ARG AA CD 1 32 . A ATOM 1872 N NE . ARG AA 1 32 ? -22.888 -19.377 33.026 1.0 21.26 ? 32 ARG AA NE 1 32 . A ATOM 1873 C CZ . ARG AA 1 32 ? -23.150 -19.766 31.782 1.0 23.99 ? 32 ARG AA CZ 1 32 . A ATOM 1874 N NH1 . ARG AA 1 32 ? -22.688 -19.050 30.757 1.0 25.49 ? 32 ARG AA NH1 1 32 . A ATOM 1875 N NH2 . ARG AA 1 32 ? -23.880 -20.861 31.567 1.0 24.84 ? 32 ARG AA NH2 1 32 . A ATOM 1876 N N . LYS AA 1 33 ? -22.181 -20.497 37.851 1.0 8.94 ? 33 LYS AA N 1 33 . A ATOM 1877 C CA . LYS AA 1 33 ? -23.337 -20.617 38.724 1.0 10.22 ? 33 LYS AA CA 1 33 . A ATOM 1878 C C . LYS AA 1 33 ? -22.990 -20.125 40.135 1.0 9.08 ? 33 LYS AA C 1 33 . A ATOM 1879 O O . LYS AA 1 33 ? -23.759 -19.399 40.746 1.0 9.61 ? 33 LYS AA O 1 33 . A ATOM 1880 C CB . LYS AA 1 33 ? -23.818 -22.078 38.807 1.0 11.94 ? 33 LYS AA CB 1 33 . A ATOM 1881 C CG . LYS AA 1 33 ? -25.041 -22.272 39.675 1.0 17.49 ? 33 LYS AA CG 1 33 . A ATOM 1882 C CD . LYS AA 1 33 ? -25.384 -23.743 39.890 1.0 21.33 ? 33 LYS AA CD 1 33 . A ATOM 1883 C CE . LYS AA 1 33 ? -26.662 -23.852 40.705 1.0 23.5 ? 33 LYS AA CE 1 33 . A ATOM 1884 N NZ . LYS AA 1 33 ? -27.871 -23.314 39.978 1.0 26.83 ? 33 LYS AA NZ 1 33 . A ATOM 1885 N N . ARG AA 1 34 ? -21.852 -20.557 40.681 1.0 7.97 ? 34 ARG AA N 1 34 . A ATOM 1886 C CA . ARG AA 1 34 ? -21.465 -20.131 42.026 1.0 7.28 ? 34 ARG AA CA 1 34 . A ATOM 1887 C C . ARG AA 1 34 ? -21.306 -18.606 42.098 1.0 6.97 ? 34 ARG AA C 1 34 . A ATOM 1888 O O . ARG AA 1 34 ? -21.753 -17.977 43.072 1.0 7.96 ? 34 ARG AA O 1 34 . A ATOM 1889 C CB . ARG AA 1 34 ? -20.139 -20.786 42.403 1.0 9.27 ? 34 ARG AA CB 1 34 . A ATOM 1890 C CG . ARG AA 1 34 ? -19.715 -20.477 43.846 1.0 10.19 ? 34 ARG AA CG 1 34 . A ATOM 1891 C CD . ARG AA 1 34 ? -18.510 -21.319 44.258 1.0 12.21 ? 34 ARG AA CD 1 34 . A ATOM 1892 N NE . ARG AA 1 34 ? -18.048 -20.990 45.605 1.0 12.73 ? 34 ARG AA NE 1 34 . A ATOM 1893 C CZ . ARG AA 1 34 ? -18.502 -21.539 46.730 1.0 11.65 ? 34 ARG AA CZ 1 34 . A ATOM 1894 N NH1 . ARG AA 1 34 ? -19.463 -22.468 46.716 1.0 13.12 ? 34 ARG AA NH1 1 34 . A ATOM 1895 N NH2 . ARG AA 1 34 ? -17.938 -21.195 47.883 1.0 11.18 ? 34 ARG AA NH2 1 34 . A ATOM 1896 N N . VAL AA 1 35 ? -20.678 -18.022 41.075 1.0 6.37 ? 35 VAL AA N 1 35 . A ATOM 1897 C CA . VAL AA 1 35 ? -20.495 -16.566 41.060 1.0 6.52 ? 35 VAL AA CA 1 35 . A ATOM 1898 C C . VAL AA 1 35 ? -21.855 -15.876 40.976 1.0 5.92 ? 35 VAL AA C 1 35 . A ATOM 1899 O O . VAL AA 1 35 ? -22.093 -14.886 41.674 1.0 6.57 ? 35 VAL AA O 1 35 . A ATOM 1900 C CB . VAL AA 1 35 ? -19.571 -16.117 39.913 1.0 6.12 ? 35 VAL AA CB 1 35 . A ATOM 1901 C CG1 . VAL AA 1 35 ? -19.565 -14.604 39.828 1.0 8.54 ? 35 VAL AA CG1 1 35 . A ATOM 1902 C CG2 . VAL AA 1 35 ? -18.171 -16.667 40.145 1.0 9.28 ? 35 VAL AA CG2 1 35 . A ATOM 1903 N N . HIS AA 1 36 ? -22.776 -16.378 40.154 1.0 4.8 ? 36 HIS AA N 1 36 . A ATOM 1904 C CA . HIS AA 1 36 ? -24.092 -15.742 40.115 1.0 4.94 ? 36 HIS AA CA 1 36 . A ATOM 1905 C C . HIS AA 1 36 ? -24.773 -15.793 41.482 1.0 5.45 ? 36 HIS AA C 1 36 . A ATOM 1906 O O . HIS AA 1 36 ? -25.414 -14.831 41.879 1.0 5.4 ? 36 HIS AA O 1 36 . A ATOM 1907 C CB . HIS AA 1 36 ? -24.988 -16.394 39.044 1.0 5.72 ? 36 HIS AA CB 1 36 . A ATOM 1908 C CG . HIS AA 1 36 ? -24.707 -15.886 37.661 1.0 5.46 ? 36 HIS AA CG 1 36 . A ATOM 1909 N ND1 . HIS AA 1 36 ? -25.702 -15.407 36.831 1.0 7.2 ? 36 HIS AA ND1 1 36 . A ATOM 1910 C CD2 . HIS AA 1 36 ? -23.547 -15.731 36.987 1.0 6.97 ? 36 HIS AA CD2 1 36 . A ATOM 1911 C CE1 . HIS AA 1 36 ? -25.163 -14.983 35.703 1.0 6.95 ? 36 HIS AA CE1 1 36 . A ATOM 1912 N NE2 . HIS AA 1 36 ? -23.854 -15.168 35.771 1.0 7.78 ? 36 HIS AA NE2 1 36 . A ATOM 1913 N N . GLN AA 1 37 ? -24.649 -16.930 42.180 1.0 5.73 ? 37 GLN AA N 1 37 . A ATOM 1914 C CA . GLN AA 1 37 ? -25.277 -17.036 43.499 1.0 6.89 ? 37 GLN AA CA 1 37 . A ATOM 1915 C C . GLN AA 1 37 ? -24.672 -16.042 44.481 1.0 6.19 ? 37 GLN AA C 1 37 . A ATOM 1916 O O . GLN AA 1 37 ? -25.385 -15.492 45.338 1.0 6.35 ? 37 GLN AA O 1 37 . A ATOM 1917 C CB . GLN AA 1 37 ? -25.171 -18.455 44.053 1.0 8.58 ? 37 GLN AA CB 1 37 . A ATOM 1918 C CG . GLN AA 1 37 ? -26.055 -18.666 45.284 1.0 12.5 ? 37 GLN AA CG 1 37 . A ATOM 1919 C CD . GLN AA 1 37 ? -26.007 -20.054 45.879 1.0 13.66 ? 37 GLN AA CD 1 37 . A ATOM 1920 O OE1 . GLN AA 1 37 ? -26.190 -20.233 47.108 1.0 11.79 ? 37 GLN AA OE1 1 37 . A ATOM 1921 N NE2 . GLN AA 1 37 ? -25.794 -21.068 45.003 1.0 15.73 ? 37 GLN AA NE2 1 37 . A ATOM 1922 N N . MET AA 1 38 ? -23.365 -15.796 44.355 1.0 5.77 ? 38 MET AA N 1 38 . A ATOM 1923 C CA . MET AA 1 38 ? -22.724 -14.803 45.208 1.0 5.79 ? 38 MET AA CA 1 38 . A ATOM 1924 C C . MET AA 1 38 ? -23.290 -13.426 44.901 1.0 4.67 ? 38 MET AA C 1 38 . A ATOM 1925 O O . MET AA 1 38 ? -23.652 -12.672 45.808 1.0 5.01 ? 38 MET AA O 1 38 . A ATOM 1926 C CB . MET AA 1 38 ? -21.226 -14.803 44.978 1.0 8.14 ? 38 MET AA CB 1 38 . A ATOM 1927 C CG . MET AA 1 38 ? -20.606 -16.094 45.365 1.0 12.31 ? 38 MET AA CG 1 38 . A ATOM 1928 S SD . MET AA 1 38 ? -18.918 -16.226 44.791 1.0 16.55 ? 38 MET AA SD 1 38 . A ATOM 1929 C CE . MET AA 1 38 ? -18.315 -17.557 45.903 1.0 17.45 ? 38 MET AA CE 1 38 . A ATOM 1930 N N . VAL AA 1 39 ? -23.397 -13.099 43.616 1.0 5.11 ? 39 VAL AA N 1 39 . A ATOM 1931 C CA . VAL AA 1 39 ? -23.948 -11.793 43.230 1.0 4.79 ? 39 VAL AA CA 1 39 . A ATOM 1932 C C . VAL AA 1 39 ? -25.373 -11.621 43.731 1.0 4.98 ? 39 VAL AA C 1 39 . A ATOM 1933 O O . VAL AA 1 39 ? -25.734 -10.549 44.188 1.0 4.97 ? 39 VAL AA O 1 39 . A ATOM 1934 C CB . VAL AA 1 39 ? -23.843 -11.569 41.691 1.0 6.23 ? 39 VAL AA CB 1 39 . A ATOM 1935 C CG1 . VAL AA 1 39 ? -24.577 -10.259 41.268 1.0 7.68 ? 39 VAL AA CG1 1 39 . A ATOM 1936 C CG2 . VAL AA 1 39 ? -22.346 -11.498 41.298 1.0 8.26 ? 39 VAL AA CG2 1 39 . A ATOM 1937 N N . SER AA 1 40 ? -26.188 -12.676 43.656 1.0 4.36 ? 40 SER AA N 1 40 . A ATOM 1938 C CA . SER AA 1 40 ? -27.580 -12.559 44.112 1.0 4.82 ? 40 SER AA CA 1 40 . A ATOM 1939 C C . SER AA 1 40 ? -27.597 -12.222 45.600 1.0 4.35 ? 40 SER AA C 1 40 . A ATOM 1940 O O . SER AA 1 40 ? -28.414 -11.458 46.066 1.0 4.7 ? 40 SER AA O 1 40 . A ATOM 1941 C CB . SER AA 1 40 ? -28.324 -13.882 43.844 1.0 6.65 ? 40 SER AA CB 1 40 . A ATOM 1942 O OG . SER AA 1 40 ? -28.395 -14.145 42.446 1.0 11.82 ? 40 SER AA OG 1 40 . A ATOM 1943 N N . ASN AA 1 41 ? -26.685 -12.825 46.358 1.0 4.12 ? 41 ASN AA N 1 41 . A ATOM 1944 C CA . ASN AA 1 41 ? -26.576 -12.519 47.787 1.0 3.55 ? 41 ASN AA CA 1 41 . A ATOM 1945 C C . ASN AA 1 41 ? -26.068 -11.086 48.053 1.0 3.78 ? 41 ASN AA C 1 41 . A ATOM 1946 O O . ASN AA 1 41 ? -26.583 -10.401 48.928 1.0 3.63 ? 41 ASN AA O 1 41 . A ATOM 1947 C CB . ASN AA 1 41 ? -25.666 -13.541 48.471 1.0 4.13 ? 41 ASN AA CB 1 41 . A ATOM 1948 C CG . ASN AA 1 41 ? -26.424 -14.790 48.830 1.0 4.51 ? 41 ASN AA CG 1 41 . A ATOM 1949 O OD1 . ASN AA 1 41 ? -27.277 -14.758 49.725 1.0 6.41 ? 41 ASN AA OD1 1 41 . A ATOM 1950 N ND2 . ASN AA 1 41 ? -26.127 -15.902 48.151 1.0 5.67 ? 41 ASN AA ND2 1 41 . A ATOM 1951 N N . ILE AA 1 42 ? -25.103 -10.618 47.273 1.0 3.59 ? 42 ILE AA N 1 42 . A ATOM 1952 C CA . ILE AA 1 42 ? -24.583 -9.251 47.445 1.0 3.83 ? 42 ILE AA CA 1 42 . A ATOM 1953 C C . ILE AA 1 42 ? -25.718 -8.269 47.127 1.0 4.13 ? 42 ILE AA C 1 42 . A ATOM 1954 O O . ILE AA 1 42 ? -25.949 -7.305 47.852 1.0 4.7 ? 42 ILE AA O 1 42 . A ATOM 1955 C CB . ILE AA 1 42 ? -23.380 -8.993 46.510 1.0 4.47 ? 42 ILE AA CB 1 42 . A ATOM 1956 C CG1 . ILE AA 1 42 ? -22.213 -9.936 46.854 1.0 5.16 ? 42 ILE AA CG1 1 42 . A ATOM 1957 C CG2 . ILE AA 1 42 ? -22.928 -7.546 46.655 1.0 4.85 ? 42 ILE AA CG2 1 42 . A ATOM 1958 C CD1 . ILE AA 1 42 ? -21.122 -9.964 45.823 1.0 6.82 ? 42 ILE AA CD1 1 42 . A ATOM 1959 N N . ASN AA 1 43 ? -26.444 -8.535 46.052 1.0 3.98 ? 43 ASN AA N 1 43 . A ATOM 1960 C CA . ASN AA 1 43 ? -27.544 -7.662 45.715 1.0 4.7 ? 43 ASN AA CA 1 43 . A ATOM 1961 C C . ASN AA 1 43 ? -28.591 -7.600 46.854 1.0 3.75 ? 43 ASN AA C 1 43 . A ATOM 1962 O O . ASN AA 1 43 ? -29.050 -6.521 47.223 1.0 5.36 ? 43 ASN AA O 1 43 . A ATOM 1963 C CB . ASN AA 1 43 ? -28.193 -8.165 44.442 1.0 6.36 ? 43 ASN AA CB 1 43 . A ATOM 1964 C CG . ASN AA 1 43 ? -29.278 -7.282 44.003 1.0 9.39 ? 43 ASN AA CG 1 43 . A ATOM 1965 O OD1 . ASN AA 1 43 ? -29.019 -6.184 43.511 1.0 10.78 ? 43 ASN AA OD1 1 43 . A ATOM 1966 N ND2 . ASN AA 1 43 ? -30.532 -7.715 44.225 1.0 10.24 ? 43 ASN AA ND2 1 43 . A ATOM 1967 N N . GLU AA 1 44 ? -28.926 -8.754 47.424 1.0 4.56 ? 44 GLU AA N 1 44 . A ATOM 1968 C CA . GLU AA 1 44 ? -29.888 -8.786 48.519 1.0 4.86 ? 44 GLU AA CA 1 44 . A ATOM 1969 C C . GLU AA 1 44 ? -29.356 -7.963 49.702 1.0 4.74 ? 44 GLU AA C 1 44 . A ATOM 1970 O O . GLU AA 1 44 ? -30.098 -7.185 50.342 1.0 5.8 ? 44 GLU AA O 1 44 . A ATOM 1971 C CB . GLU AA 1 44 ? -30.121 -10.229 48.957 1.0 5.08 ? 44 GLU AA CB 1 44 . A ATOM 1972 C CG . GLU AA 1 44 ? -30.860 -10.423 50.268 1.0 6.56 ? 44 GLU AA CG 1 44 . A ATOM 1973 C CD . GLU AA 1 44 ? -32.264 -9.875 50.275 1.0 7.86 ? 44 GLU AA CD 1 44 . A ATOM 1974 O OE1 . GLU AA 1 44 ? -32.856 -9.619 49.217 1.0 7.14 ? 44 GLU AA OE1 1 44 . A ATOM 1975 O OE2 . GLU AA 1 44 ? -32.793 -9.750 51.398 1.0 10.17 ? 44 GLU AA OE2 1 44 . A ATOM 1976 N N . MET AA 1 45 ? -28.076 -8.145 50.025 1.0 4.61 ? 45 MET AA N 1 45 . A ATOM 1977 C CA . MET AA 1 45 ? -27.517 -7.396 51.163 1.0 4.32 ? 45 MET AA CA 1 45 . A ATOM 1978 C C . MET AA 1 45 ? -27.454 -5.898 50.958 1.0 3.78 ? 45 MET AA C 1 45 . A ATOM 1979 O O . MET AA 1 45 ? -27.499 -5.127 51.920 1.0 5.05 ? 45 MET AA O 1 45 . A ATOM 1980 C CB . MET AA 1 45 ? -26.147 -7.947 51.546 1.0 5.21 ? 45 MET AA CB 1 45 . A ATOM 1981 C CG . MET AA 1 45 ? -26.299 -9.301 52.287 1.0 6.09 ? 45 MET AA CG 1 45 . A ATOM 1982 S SD . MET AA 1 45 ? -24.720 -10.029 52.803 1.0 6.69 ? 45 MET AA SD 1 45 . A ATOM 1983 C CE . MET AA 1 45 ? -24.361 -11.138 51.406 1.0 5.25 ? 45 MET AA CE 1 45 . A ATOM 1984 N N . CYS AA 1 46 ? -27.369 -5.487 49.701 1.0 4.77 ? 46 CYS AA N 1 46 . A ATOM 1985 C CA . CYS AA 1 46 ? -27.331 -4.065 49.406 1.0 5.84 ? 46 CYS AA CA 1 46 . A ATOM 1986 C C . CYS AA 1 46 ? -28.707 -3.420 49.228 1.0 5.94 ? 46 CYS AA C 1 46 . A ATOM 1987 O O . CYS AA 1 46 ? -28.793 -2.218 49.033 1.0 7.02 ? 46 CYS AA O 1 46 . A ATOM 1988 C CB . CYS AA 1 46 ? -26.469 -3.809 48.175 1.0 4.99 ? 46 CYS AA CB 1 46 . A ATOM 1989 S SG . CYS AA 1 46 ? -24.704 -4.095 48.482 1.0 6.84 ? 46 CYS AA SG 1 46 . A ATOM 1990 N N . ARG AA 1 47 ? -29.781 -4.189 49.345 1.0 7.22 ? 47 ARG AA N 1 47 . A ATOM 1991 C CA . ARG AA 1 47 ? -31.081 -3.558 49.148 1.0 8.88 ? 47 ARG AA CA 1 47 . A ATOM 1992 C C . ARG AA 1 47 ? -31.385 -2.421 50.111 1.0 8.98 ? 47 ARG AA C 1 47 . A ATOM 1993 O O . ARG AA 1 47 ? -31.906 -1.379 49.694 1.0 9.79 ? 47 ARG AA O 1 47 . A ATOM 1994 C CB . ARG AA 1 47 ? -32.197 -4.577 49.221 1.0 11.72 ? 47 ARG AA CB 1 47 . A ATOM 1995 C CG . ARG AA 1 47 ? -32.246 -5.511 48.091 1.0 13.69 ? 47 ARG AA CG 1 47 . A ATOM 1996 C CD . ARG AA 1 47 ? -33.468 -6.402 48.250 1.0 15.35 ? 47 ARG AA CD 1 47 . A ATOM 1997 N NE . ARG AA 1 47 ? -33.626 -6.813 49.641 1.0 18.06 ? 47 ARG AA NE 1 47 . A ATOM 1998 C CZ . ARG AA 1 47 ? -34.604 -7.588 50.062 1.0 17.49 ? 47 ARG AA CZ 1 47 . A ATOM 1999 N NH1 . ARG AA 1 47 ? -35.476 -8.028 49.182 1.0 15.51 ? 47 ARG AA NH1 1 47 . A ATOM 2000 N NH2 . ARG AA 1 47 ? -34.733 -7.890 51.363 1.0 18.21 ? 47 ARG AA NH2 1 47 . A ATOM 2001 N N . PRO AA 1 48 ? -31.069 -2.574 51.412 1.0 9.59 ? 48 PRO AA N 1 48 . A ATOM 2002 C CA . PRO AA 1 48 ? -31.365 -1.450 52.313 1.0 9.77 ? 48 PRO AA CA 1 48 . A ATOM 2003 C C . PRO AA 1 48 ? -30.512 -0.219 52.030 1.0 9.33 ? 48 PRO AA C 1 48 . A ATOM 2004 O O . PRO AA 1 48 ? -30.778 0.850 52.579 1.0 11.01 ? 48 PRO AA O 1 48 . A ATOM 2005 C CB . PRO AA 1 48 ? -31.087 -2.024 53.709 1.0 9.96 ? 48 PRO AA CB 1 48 . A ATOM 2006 C CG . PRO AA 1 48 ? -31.336 -3.493 53.524 1.0 9.29 ? 48 PRO AA CG 1 48 . A ATOM 2007 C CD . PRO AA 1 48 ? -30.716 -3.793 52.172 1.0 9.59 ? 48 PRO AA CD 1 48 . A ATOM 2008 N N . LEU AA 1 49 ? -29.452 -0.336 51.214 1.0 8.46 ? 49 LEU AA N 1 49 . A ATOM 2009 C CA . LEU AA 1 49 ? -28.645 0.824 50.869 1.0 8.55 ? 49 LEU AA CA 1 49 . A ATOM 2010 C C . LEU AA 1 49 ? -29.124 1.456 49.555 1.0 7.12 ? 49 LEU AA C 1 49 . A ATOM 2011 O O . LEU AA 1 49 ? -28.579 2.464 49.115 1.0 8.38 ? 49 LEU AA O 1 49 . A ATOM 2012 C CB . LEU AA 1 49 ? -27.164 0.415 50.704 1.0 7.77 ? 49 LEU AA CB 1 49 . A ATOM 2013 C CG . LEU AA 1 49 ? -26.503 -0.216 51.949 1.0 7.98 ? 49 LEU AA CG 1 49 . A ATOM 2014 C CD1 . LEU AA 1 49 ? -25.030 -0.426 51.663 1.0 9.19 ? 49 LEU AA CD1 1 49 . A ATOM 2015 C CD2 . LEU AA 1 49 ? -26.699 0.660 53.167 1.0 9.97 ? 49 LEU AA CD2 1 49 . A ATOM 2016 N N . ASN AA 1 50 ? -30.121 0.809 48.946 1.0 7.61 ? 50 ASN AA N 1 50 . A ATOM 2017 C CA . ASN AA 1 50 ? -30.662 1.223 47.652 1.0 7.76 ? 50 ASN AA CA 1 50 . A ATOM 2018 C C . ASN AA 1 50 ? -29.590 1.228 46.545 1.0 8.27 ? 50 ASN AA C 1 50 . A ATOM 2019 O O . ASN AA 1 50 ? -29.519 2.140 45.720 1.0 8.38 ? 50 ASN AA O 1 50 . A ATOM 2020 C CB . ASN AA 1 50 ? -31.391 2.580 47.745 1.0 9.15 ? 50 ASN AA CB 1 50 . A ATOM 2021 C CG . ASN AA 1 50 ? -32.451 2.742 46.661 1.0 9.82 ? 50 ASN AA CG 1 50 . A ATOM 2022 O OD1 . ASN AA 1 50 ? -32.821 1.800 45.947 1.0 10.34 ? 50 ASN AA OD1 1 50 . A ATOM 2023 N ND2 . ASN AA 1 50 ? -32.947 3.956 46.542 1.0 10.93 ? 50 ASN AA ND2 1 50 . A ATOM 2024 N N . ILE AA 1 51 ? -28.723 0.202 46.579 1.0 7.94 ? 51 ILE AA N 1 51 . A ATOM 2025 C CA . ILE AA 1 51 ? -27.709 0.043 45.548 1.0 7.34 ? 51 ILE AA CA 1 51 . A ATOM 2026 C C . ILE AA 1 51 ? -28.068 -1.201 44.741 1.0 7.28 ? 51 ILE AA C 1 51 . A ATOM 2027 O O . ILE AA 1 51 ? -28.193 -2.297 45.291 1.0 7.95 ? 51 ILE AA O 1 51 . A ATOM 2028 C CB . ILE AA 1 51 ? -26.278 -0.183 46.107 1.0 6.85 ? 51 ILE AA CB 1 51 . A ATOM 2029 C CG1 . ILE AA 1 51 ? -25.866 0.963 47.024 1.0 7.67 ? 51 ILE AA CG1 1 51 . A ATOM 2030 C CG2 . ILE AA 1 51 ? -25.278 -0.251 44.931 1.0 7.07 ? 51 ILE AA CG2 1 51 . A ATOM 2031 C CD1 . ILE AA 1 51 ? -24.540 0.659 47.732 1.0 9.02 ? 51 ILE AA CD1 1 51 . A ATOM 2032 N N . ALA AA 1 52 ? -28.282 -1.020 43.439 1.0 6.54 ? 52 ALA AA N 1 52 . A ATOM 2033 C CA . ALA AA 1 52 ? -28.599 -2.156 42.559 1.0 6.99 ? 52 ALA AA CA 1 52 . A ATOM 2034 C C . ALA AA 1 52 ? -27.269 -2.729 42.097 1.0 6.62 ? 52 ALA AA C 1 52 . A ATOM 2035 O O . ALA AA 1 52 ? -26.466 -2.025 41.485 1.0 6.37 ? 52 ALA AA O 1 52 . A ATOM 2036 C CB . ALA AA 1 52 ? -29.433 -1.671 41.338 1.0 7.26 ? 52 ALA AA CB 1 52 . A ATOM 2037 N N . ILE AA 1 53 ? -27.072 -4.008 42.347 1.0 7.07 ? 53 ILE AA N 1 53 . A ATOM 2038 C CA . ILE AA 1 53 ? -25.819 -4.695 42.022 1.0 7.1 ? 53 ILE AA CA 1 53 . A ATOM 2039 C C . ILE AA 1 53 ? -26.000 -5.560 40.774 1.0 7.59 ? 53 ILE AA C 1 53 . A ATOM 2040 O O . ILE AA 1 53 ? -26.953 -6.344 40.697 1.0 9.24 ? 53 ILE AA O 1 53 . A ATOM 2041 C CB . ILE AA 1 53 ? -25.418 -5.646 43.206 1.0 7.79 ? 53 ILE AA CB 1 53 . A ATOM 2042 C CG1 . ILE AA 1 53 ? -25.292 -4.876 44.528 1.0 9.02 ? 53 ILE AA CG1 1 53 . A ATOM 2043 C CG2 . ILE AA 1 53 ? -24.105 -6.375 42.885 1.0 8.65 ? 53 ILE AA CG2 1 53 . A ATOM 2044 C CD1 . ILE AA 1 53 ? -24.122 -3.904 44.571 1.0 8.97 ? 53 ILE AA CD1 1 53 . A ATOM 2045 N N . THR AA 1 54 ? -25.132 -5.385 39.795 1.0 6.59 ? 54 THR AA N 1 54 . A ATOM 2046 C CA . THR AA 1 54 ? -25.166 -6.241 38.622 1.0 7.85 ? 54 THR AA CA 1 54 . A ATOM 2047 C C . THR AA 1 54 ? -23.787 -6.801 38.342 1.0 8.56 ? 54 THR AA C 1 54 . A ATOM 2048 O O . THR AA 1 54 ? -22.770 -6.202 38.746 1.0 9.49 ? 54 THR AA O 1 54 . A ATOM 2049 C CB . THR AA 1 54 ? -25.651 -5.508 37.356 1.0 9.13 ? 54 THR AA CB 1 54 . A ATOM 2050 O OG1 . THR AA 1 54 ? -24.992 -4.241 37.206 1.0 9.53 ? 54 THR AA OG1 1 54 . A ATOM 2051 C CG2 . THR AA 1 54 ? -27.161 -5.355 37.392 1.0 11.23 ? 54 THR AA CG2 1 54 . A ATOM 2052 N N . LEU AA 1 55 ? -23.750 -7.963 37.689 1.0 6.97 ? 55 LEU AA N 1 55 . A ATOM 2053 C CA . LEU AA 1 55 ? -22.507 -8.601 37.252 1.0 7.28 ? 55 LEU AA CA 1 55 . A ATOM 2054 C C . LEU AA 1 55 ? -22.252 -8.134 35.828 1.0 7.67 ? 55 LEU AA C 1 55 . A ATOM 2055 O O . LEU AA 1 55 ? -22.843 -8.656 34.884 1.0 9.2 ? 55 LEU AA O 1 55 . A ATOM 2056 C CB . LEU AA 1 55 ? -22.646 -10.135 37.303 1.0 7.56 ? 55 LEU AA CB 1 55 . A ATOM 2057 C CG . LEU AA 1 55 ? -21.399 -10.929 36.896 1.0 8.48 ? 55 LEU AA CG 1 55 . A ATOM 2058 C CD1 . LEU AA 1 55 ? -20.257 -10.580 37.831 1.0 9.78 ? 55 LEU AA CD1 1 55 . A ATOM 2059 C CD2 . LEU AA 1 55 ? -21.698 -12.410 36.949 1.0 9.93 ? 55 LEU AA CD2 1 55 . A ATOM 2060 N N . ALA AA 1 56 ? -21.415 -7.113 35.669 1.0 7.07 ? 56 ALA AA N 1 56 . A ATOM 2061 C CA . ALA AA 1 56 ? -21.082 -6.588 34.342 1.0 7.34 ? 56 ALA AA CA 1 56 . A ATOM 2062 C C . ALA AA 1 56 ? -20.132 -7.507 33.601 1.0 8.03 ? 56 ALA AA C 1 56 . A ATOM 2063 O O . ALA AA 1 56 ? -20.161 -7.577 32.381 1.0 8.91 ? 56 ALA AA O 1 56 . A ATOM 2064 C CB . ALA AA 1 56 ? -20.431 -5.203 34.485 1.0 8.82 ? 56 ALA AA CB 1 56 . A ATOM 2065 N N . LEU AA 1 57 ? -19.266 -8.203 34.322 1.0 8.29 ? 57 LEU AA N 1 57 . A ATOM 2066 C CA . LEU AA 1 57 ? -18.254 -9.025 33.702 1.0 9.22 ? 57 LEU AA CA 1 57 . A ATOM 2067 C C . LEU AA 1 57 ? -17.761 -10.143 34.580 1.0 8.83 ? 57 LEU AA C 1 57 . A ATOM 2068 O O . LEU AA 1 57 ? -17.523 -9.914 35.775 1.0 9.1 ? 57 LEU AA O 1 57 . A ATOM 2069 C CB . LEU AA 1 57 ? -17.062 -8.136 33.375 1.0 10.96 ? 57 LEU AA CB 1 57 . A ATOM 2070 C CG . LEU AA 1 57 ? -15.841 -8.652 32.652 1.0 13.57 ? 57 LEU AA CG 1 57 . A ATOM 2071 C CD1 . LEU AA 1 57 ? -16.273 -8.988 31.230 1.0 14.96 ? 57 LEU AA CD1 1 57 . A ATOM 2072 C CD2 . LEU AA 1 57 ? -14.768 -7.560 32.637 1.0 14.49 ? 57 LEU AA CD2 1 57 . A ATOM 2073 N N . LEU AA 1 58 ? -17.615 -11.340 34.018 1.0 8.55 ? 58 LEU AA N 1 58 . A ATOM 2074 C CA . LEU AA 1 58 ? -17.059 -12.503 34.726 1.0 8.84 ? 58 LEU AA CA 1 58 . A ATOM 2075 C C . LEU AA 1 58 ? -15.856 -12.920 33.901 1.0 9.37 ? 58 LEU AA C 1 58 . A ATOM 2076 O O . LEU AA 1 58 ? -15.960 -13.148 32.687 1.0 10.46 ? 58 LEU AA O 1 58 . A ATOM 2077 C CB . LEU AA 1 58 ? -18.067 -13.666 34.805 1.0 9.67 ? 58 LEU AA CB 1 58 . A ATOM 2078 C CG . LEU AA 1 58 ? -17.462 -15.000 35.241 1.0 10.08 ? 58 LEU AA CG 1 58 . A ATOM 2079 C CD1 . LEU AA 1 58 ? -16.894 -14.868 36.661 1.0 10.24 ? 58 LEU AA CD1 1 58 . A ATOM 2080 C CD2 . LEU AA 1 58 ? -18.532 -16.121 35.213 1.0 11.6 ? 58 LEU AA CD2 1 58 . A ATOM 2081 N N . ASP AA 1 59 ? -14.694 -12.976 34.521 1.0 8.0 ? 59 ASP AA N 1 59 . A ATOM 2082 C CA . ASP AA 1 59 ? -13.482 -13.381 33.826 1.0 7.84 ? 59 ASP AA CA 1 59 . A ATOM 2083 C C . ASP AA 1 59 ? -12.902 -14.540 34.606 1.0 8.6 ? 59 ASP AA C 1 59 . A ATOM 2084 O O . ASP AA 1 59 ? -12.541 -14.376 35.768 1.0 8.16 ? 59 ASP AA O 1 59 . A ATOM 2085 C CB . ASP AA 1 59 ? -12.487 -12.213 33.751 1.0 9.71 ? 59 ASP AA CB 1 59 . A ATOM 2086 C CG . ASP AA 1 59 ? -11.204 -12.569 33.026 1.0 12.33 ? 59 ASP AA CG 1 59 . A ATOM 2087 O OD1 . ASP AA 1 59 ? -11.207 -13.504 32.201 1.0 15.32 ? 59 ASP AA OD1 1 59 . A ATOM 2088 O OD2 . ASP AA 1 59 ? -10.176 -11.899 33.257 1.0 13.79 ? 59 ASP AA OD2 1 59 . A ATOM 2089 N N . VAL AA 1 60 ? -12.815 -15.716 33.995 1.0 8.66 ? 60 VAL AA N 1 60 . A ATOM 2090 C CA . VAL AA 1 60 ? -12.283 -16.903 34.670 1.0 9.3 ? 60 VAL AA CA 1 60 . A ATOM 2091 C C . VAL AA 1 60 ? -10.941 -17.200 34.040 1.0 9.57 ? 60 VAL AA C 1 60 . A ATOM 2092 O O . VAL AA 1 60 ? -10.851 -17.354 32.821 1.0 9.83 ? 60 VAL AA O 1 60 . A ATOM 2093 C CB . VAL AA 1 60 ? -13.232 -18.087 34.471 1.0 9.97 ? 60 VAL AA CB 1 60 . A ATOM 2094 C CG1 . VAL AA 1 60 ? -12.660 -19.362 35.093 1.0 10.27 ? 60 VAL AA CG1 1 60 . A ATOM 2095 C CG2 . VAL AA 1 60 ? -14.581 -17.712 35.051 1.0 9.75 ? 60 VAL AA CG2 1 60 . A ATOM 2096 N N . TRP AA 1 61 ? -9.899 -17.237 34.862 1.0 9.76 ? 61 TRP AA N 1 61 . A ATOM 2097 C CA . TRP AA 1 61 ? -8.527 -17.482 34.393 1.0 9.52 ? 61 TRP AA CA 1 61 . A ATOM 2098 C C . TRP AA 1 61 ? -8.300 -18.984 34.241 1.0 11.2 ? 61 TRP AA C 1 61 . A ATOM 2099 O O . TRP AA 1 61 ? -7.626 -19.619 35.046 1.0 11.73 ? 61 TRP AA O 1 61 . A ATOM 2100 C CB . TRP AA 1 61 ? -7.526 -16.854 35.376 1.0 9.52 ? 61 TRP AA CB 1 61 . A ATOM 2101 C CG . TRP AA 1 61 ? -7.555 -15.342 35.395 1.0 7.72 ? 61 TRP AA CG 1 61 . A ATOM 2102 C CD1 . TRP AA 1 61 ? -8.212 -14.495 34.508 1.0 8.27 ? 61 TRP AA CD1 1 61 . A ATOM 2103 C CD2 . TRP AA 1 61 ? -6.843 -14.493 36.288 1.0 7.55 ? 61 TRP AA CD2 1 61 . A ATOM 2104 N NE1 . TRP AA 1 61 ? -7.929 -13.183 34.810 1.0 8.41 ? 61 TRP AA NE1 1 61 . A ATOM 2105 C CE2 . TRP AA 1 61 ? -7.089 -13.148 35.896 1.0 7.46 ? 61 TRP AA CE2 1 61 . A ATOM 2106 C CE3 . TRP AA 1 61 ? -5.998 -14.732 37.389 1.0 8.12 ? 61 TRP AA CE3 1 61 . A ATOM 2107 C CZ2 . TRP AA 1 61 ? -6.522 -12.054 36.566 1.0 7.94 ? 61 TRP AA CZ2 1 61 . A ATOM 2108 C CZ3 . TRP AA 1 61 ? -5.453 -13.666 38.040 1.0 7.86 ? 61 TRP AA CZ3 1 61 . A ATOM 2109 C CH2 . TRP AA 1 61 ? -5.704 -12.333 37.642 1.0 7.84 ? 61 TRP AA CH2 1 61 . A ATOM 2110 N N . SER AA 1 62 ? -8.887 -19.535 33.176 1.0 12.25 ? 62 SER AA N 1 62 . A ATOM 2111 C CA . SER AA 1 62 ? -8.838 -20.958 32.883 1.0 14.27 ? 62 SER AA CA 1 62 . A ATOM 2112 C C . SER AA 1 62 ? -7.496 -21.503 32.402 1.0 15.33 ? 62 SER AA C 1 62 . A ATOM 2113 O O . SER AA 1 62 ? -7.308 -22.709 32.419 1.0 16.63 ? 62 SER AA O 1 62 . A ATOM 2114 C CB . SER AA 1 62 ? -9.896 -21.287 31.840 1.0 14.2 ? 62 SER AA CB 1 62 . A ATOM 2115 O OG . SER AA 1 62 ? -9.735 -20.467 30.703 1.0 16.4 ? 62 SER AA OG 1 62 . A ATOM 2116 N N . GLU AA 1 63 ? -6.602 -20.624 31.972 1.0 16.11 ? 63 GLU AA N 1 63 . A ATOM 2117 C CA . GLU AA 1 63 ? -5.294 -21.052 31.464 1.0 18.02 ? 63 GLU AA CA 1 63 . A ATOM 2118 C C . GLU AA 1 63 ? -4.178 -20.834 32.492 1.0 17.85 ? 63 GLU AA C 1 63 . A ATOM 2119 O O . GLU AA 1 63 ? -3.417 -21.769 32.818 1.0 18.43 ? 63 GLU AA O 1 63 . A ATOM 2120 C CB . GLU AA 1 63 ? -4.979 -20.286 30.167 1.0 21.19 ? 63 GLU AA CB 1 63 . A ATOM 2121 C CG . GLU AA 1 63 ? -3.617 -20.601 29.515 1.0 25.38 ? 63 GLU AA CG 1 63 . A ATOM 2122 C CD . GLU AA 1 63 ? -3.202 -19.561 28.457 1.0 27.97 ? 63 GLU AA CD 1 63 . A ATOM 2123 O OE1 . GLU AA 1 63 ? -2.086 -19.682 27.899 1.0 29.85 ? 63 GLU AA OE1 1 63 . A ATOM 2124 O OE2 . GLU AA 1 63 ? -3.987 -18.618 28.174 1.0 30.02 ? 63 GLU AA OE2 1 63 . A ATOM 2125 N N . LYS AA 1 64 ? -4.084 -19.609 33.006 1.0 16.62 ? 64 LYS AA N 1 64 . A ATOM 2126 C CA . LYS AA 1 64 ? -3.052 -19.259 33.987 1.0 15.32 ? 64 LYS AA CA 1 64 . A ATOM 2127 C C . LYS AA 1 64 ? -3.408 -17.960 34.696 1.0 14.01 ? 64 LYS AA C 1 64 . A ATOM 2128 O O . LYS AA 1 64 ? -4.279 -17.222 34.230 1.0 14.34 ? 64 LYS AA O 1 64 . A ATOM 2129 C CB . LYS AA 1 64 ? -1.715 -19.064 33.273 1.0 17.12 ? 64 LYS AA CB 1 64 . A ATOM 2130 C CG . LYS AA 1 64 ? -1.666 -17.866 32.335 1.0 19.15 ? 64 LYS AA CG 1 64 . A ATOM 2131 C CD . LYS AA 1 64 ? -0.304 -17.812 31.675 1.0 22.29 ? 64 LYS AA CD 1 64 . A ATOM 2132 C CE . LYS AA 1 64 ? -0.085 -16.540 30.895 1.0 23.64 ? 64 LYS AA CE 1 64 . A ATOM 2133 N NZ . LYS AA 1 64 ? 1.279 -16.606 30.245 1.0 26.26 ? 64 LYS AA NZ 1 64 . A ATOM 2134 N N . ASP AA 1 65 ? -2.749 -17.682 35.819 1.0 12.48 ? 65 ASP AA N 1 65 . A ATOM 2135 C CA . ASP AA 1 65 ? -2.956 -16.417 36.520 1.0 12.07 ? 65 ASP AA CA 1 65 . A ATOM 2136 C C . ASP AA 1 65 ? -2.242 -15.311 35.757 1.0 11.33 ? 65 ASP AA C 1 65 . A ATOM 2137 O O . ASP AA 1 65 ? -1.095 -15.496 35.296 1.0 12.42 ? 65 ASP AA O 1 65 . A ATOM 2138 C CB . ASP AA 1 65 ? -2.377 -16.466 37.921 1.0 12.26 ? 65 ASP AA CB 1 65 . A ATOM 2139 C CG . ASP AA 1 65 ? -3.228 -17.279 38.867 1.0 12.28 ? 65 ASP AA CG 1 65 . A ATOM 2140 O OD1 . ASP AA 1 65 ? -2.681 -17.762 39.878 1.0 12.61 ? 65 ASP AA OD1 1 65 . A ATOM 2141 O OD2 . ASP AA 1 65 ? -4.434 -17.417 38.601 1.0 12.97 ? 65 ASP AA OD2 1 65 . A ATOM 2142 N N . PHE AA 1 66 ? -2.884 -14.161 35.648 1.0 10.22 ? 66 PHE AA N 1 66 . A ATOM 2143 C CA . PHE AA 1 66 ? -2.323 -13.021 34.949 1.0 10.52 ? 66 PHE AA CA 1 66 . A ATOM 2144 C C . PHE AA 1 66 ? -1.575 -12.038 35.855 1.0 11.19 ? 66 PHE AA C 1 66 . A ATOM 2145 O O . PHE AA 1 66 ? -1.005 -11.047 35.383 1.0 11.92 ? 66 PHE AA O 1 66 . A ATOM 2146 C CB . PHE AA 1 66 ? -3.438 -12.341 34.123 1.0 10.7 ? 66 PHE AA CB 1 66 . A ATOM 2147 C CG . PHE AA 1 66 ? -3.859 -13.165 32.931 1.0 12.33 ? 66 PHE AA CG 1 66 . A ATOM 2148 C CD1 . PHE AA 1 66 ? -5.131 -13.691 32.842 1.0 13.67 ? 66 PHE AA CD1 1 66 . A ATOM 2149 C CD2 . PHE AA 1 66 ? -2.933 -13.485 31.937 1.0 14.39 ? 66 PHE AA CD2 1 66 . A ATOM 2150 C CE1 . PHE AA 1 66 ? -5.495 -14.537 31.780 1.0 15.59 ? 66 PHE AA CE1 1 66 . A ATOM 2151 C CE2 . PHE AA 1 66 ? -3.288 -14.333 30.875 1.0 15.76 ? 66 PHE AA CE2 1 66 . A ATOM 2152 C CZ . PHE AA 1 66 ? -4.578 -14.856 30.807 1.0 15.73 ? 66 PHE AA CZ 1 66 . A ATOM 2153 N N . ILE AA 1 67 ? -1.619 -12.304 37.162 1.0 9.97 ? 67 ILE AA N 1 67 . A ATOM 2154 C CA . ILE AA 1 67 ? -0.871 -11.544 38.154 1.0 10.56 ? 67 ILE AA CA 1 67 . A ATOM 2155 C C . ILE AA 1 67 ? -0.306 -12.569 39.115 1.0 11.0 ? 67 ILE AA C 1 67 . A ATOM 2156 O O . ILE AA 1 67 ? -0.738 -13.712 39.105 1.0 10.79 ? 67 ILE AA O 1 67 . A ATOM 2157 C CB . ILE AA 1 67 ? -1.727 -10.530 38.969 1.0 9.76 ? 67 ILE AA CB 1 67 . A ATOM 2158 C CG1 . ILE AA 1 67 ? -2.713 -11.262 39.889 1.0 8.83 ? 67 ILE AA CG1 1 67 . A ATOM 2159 C CG2 . ILE AA 1 67 ? -2.414 -9.570 38.042 1.0 10.58 ? 67 ILE AA CG2 1 67 . A ATOM 2160 C CD1 . ILE AA 1 67 ? -3.474 -10.302 40.801 1.0 9.42 ? 67 ILE AA CD1 1 67 . A ATOM 2161 N N . THR AA 1 68 ? 0.652 -12.142 39.930 1.0 11.98 ? 68 THR AA N 1 68 . A ATOM 2162 C CA . THR AA 1 68 ? 1.233 -13.031 40.903 1.0 13.18 ? 68 THR AA CA 1 68 . A ATOM 2163 C C . THR AA 1 68 ? 0.316 -13.058 42.147 1.0 10.71 ? 68 THR AA C 1 68 . A ATOM 2164 O O . THR AA 1 68 ? 0.450 -12.192 43.022 1.0 11.65 ? 68 THR AA O 1 68 . A ATOM 2165 C CB . THR AA 1 68 ? 2.638 -12.535 41.284 1.0 14.58 ? 68 THR AA CB 1 68 . A ATOM 2166 O OG1 . THR AA 1 68 ? 3.390 -12.222 40.092 1.0 18.4 ? 68 THR AA OG1 1 68 . A ATOM 2167 C CG2 . THR AA 1 68 ? 3.352 -13.608 42.066 1.0 16.88 ? 68 THR AA CG2 1 68 . A ATOM 2168 N N . VAL AA 1 69 ? -0.630 -14.000 42.190 1.0 11.0 ? 69 VAL AA N 1 69 . A ATOM 2169 C CA . VAL AA 1 69 ? -1.541 -14.116 43.329 1.0 10.05 ? 69 VAL AA CA 1 69 . A ATOM 2170 C C . VAL AA 1 69 ? -0.567 -14.661 44.357 1.0 11.24 ? 69 VAL AA C 1 69 . A ATOM 2171 O O . VAL AA 1 69 ? 0.264 -15.536 44.038 1.0 13.72 ? 69 VAL AA O 1 69 . A ATOM 2172 C CB . VAL AA 1 69 ? -2.747 -15.074 43.040 1.0 10.46 ? 69 VAL AA CB 1 69 . A ATOM 2173 C CG1 . VAL AA 1 69 ? -3.797 -15.009 44.166 1.0 11.57 ? 69 VAL AA CG1 1 69 . A ATOM 2174 C CG2 . VAL AA 1 69 ? -3.433 -14.636 41.744 1.0 10.86 ? 69 VAL AA CG2 1 69 . A ATOM 2175 N N . GLN AA 1 70 ? -0.587 -14.095 45.541 1.0 7.96 ? 70 GLN AA N 1 70 . A ATOM 2176 C CA . GLN AA 1 70 ? 0.359 -14.510 46.573 1.0 7.33 ? 70 GLN AA CA 1 70 . A ATOM 2177 C C . GLN AA 1 70 ? -0.244 -14.396 47.959 1.0 7.47 ? 70 GLN AA C 1 70 . A ATOM 2178 O O . GLN AA 1 70 ? -1.366 -13.906 48.138 1.0 7.63 ? 70 GLN AA O 1 70 . A ATOM 2179 C CB . GLN AA 1 70 ? 1.628 -13.664 46.442 1.0 7.48 ? 70 GLN AA CB 1 70 . A ATOM 2180 C CG . GLN AA 1 70 ? 1.387 -12.170 46.445 1.0 7.97 ? 70 GLN AA CG 1 70 . A ATOM 2181 C CD . GLN AA 1 70 ? 2.645 -11.413 46.101 1.0 7.95 ? 70 GLN AA CD 1 70 . A ATOM 2182 O OE1 . GLN AA 1 70 ? 3.481 -11.191 46.973 1.0 7.75 ? 70 GLN AA OE1 1 70 . A ATOM 2183 N NE2 . GLN AA 1 70 ? 2.796 -11.033 44.837 1.0 9.86 ? 70 GLN AA NE2 1 70 . A ATOM 2184 N N . ALA AA 1 71 ? 0.531 -14.796 48.964 1.0 8.08 ? 71 ALA AA N 1 71 . A ATOM 2185 C CA . ALA AA 1 71 ? 0.010 -14.857 50.321 1.0 8.45 ? 71 ALA AA CA 1 71 . A ATOM 2186 C C . ALA AA 1 71 ? -0.369 -13.545 50.953 1.0 8.42 ? 71 ALA AA C 1 71 . A ATOM 2187 O O . ALA AA 1 71 ? -1.348 -13.498 51.705 1.0 9.17 ? 71 ALA AA O 1 71 . A ATOM 2188 C CB . ALA AA 1 71 ? 0.987 -15.658 51.235 1.0 9.58 ? 71 ALA AA CB 1 71 . A ATOM 2189 N N . ASP AA 1 72 ? 0.351 -12.464 50.685 1.0 8.27 ? 72 ASP AA N 1 72 . A ATOM 2190 C CA . ASP AA 1 72 ? -0.049 -11.194 51.277 1.0 8.01 ? 72 ASP AA CA 1 72 . A ATOM 2191 C C . ASP AA 1 72 ? -1.222 -10.602 50.483 1.0 7.68 ? 72 ASP AA C 1 72 . A ATOM 2192 O O . ASP AA 1 72 ? -1.098 -10.231 49.295 1.0 8.31 ? 72 ASP AA O 1 72 . A ATOM 2193 C CB . ASP AA 1 72 ? 1.134 -10.227 51.317 1.0 9.38 ? 72 ASP AA CB 1 72 . A ATOM 2194 C CG . ASP AA 1 72 ? 0.808 -8.969 52.057 1.0 10.05 ? 72 ASP AA CG 1 72 . A ATOM 2195 O OD1 . ASP AA 1 72 ? 0.575 -9.056 53.275 1.0 12.38 ? 72 ASP AA OD1 1 72 . A ATOM 2196 O OD2 . ASP AA 1 72 ? 0.738 -7.906 51.425 1.0 11.95 ? 72 ASP AA OD2 1 72 . A ATOM 2197 N N . ALA AA 1 73 ? -2.371 -10.510 51.139 1.0 7.24 ? 73 ALA AA N 1 73 . A ATOM 2198 C CA . ALA AA 1 73 ? -3.558 -10.037 50.457 1.0 6.92 ? 73 ALA AA CA 1 73 . A ATOM 2199 C C . ALA AA 1 73 ? -3.426 -8.608 49.951 1.0 6.75 ? 73 ALA AA C 1 73 . A ATOM 2200 O O . ALA AA 1 73 ? -3.817 -8.333 48.819 1.0 5.95 ? 73 ALA AA O 1 73 . A ATOM 2201 C CB . ALA AA 1 73 ? -4.813 -10.201 51.368 1.0 7.03 ? 73 ALA AA CB 1 73 . A ATOM 2202 N N . PRO AA 1 74 ? -2.865 -7.685 50.753 1.0 7.07 ? 74 PRO AA N 1 74 . A ATOM 2203 C CA . PRO AA 1 74 ? -2.739 -6.300 50.249 1.0 7.57 ? 74 PRO AA CA 1 74 . A ATOM 2204 C C . PRO AA 1 74 ? -1.850 -6.211 49.007 1.0 6.81 ? 74 PRO AA C 1 74 . A ATOM 2205 O O . PRO AA 1 74 ? -2.143 -5.455 48.082 1.0 7.65 ? 74 PRO AA O 1 74 . A ATOM 2206 C CB . PRO AA 1 74 ? -2.192 -5.520 51.451 1.0 8.1 ? 74 PRO AA CB 1 74 . A ATOM 2207 C CG . PRO AA 1 74 ? -2.728 -6.298 52.613 1.0 9.64 ? 74 PRO AA CG 1 74 . A ATOM 2208 C CD . PRO AA 1 74 ? -2.575 -7.762 52.203 1.0 8.21 ? 74 PRO AA CD 1 74 . A ATOM 2209 N N . THR AA 1 75 ? -0.778 -7.004 48.976 1.0 7.19 ? 75 THR AA N 1 75 . A ATOM 2210 C CA . THR AA 1 75 ? 0.136 -7.017 47.825 1.0 7.14 ? 75 THR AA CA 1 75 . A ATOM 2211 C C . THR AA 1 75 ? -0.610 -7.552 46.602 1.0 6.38 ? 75 THR AA C 1 75 . A ATOM 2212 O O . THR AA 1 75 ? -0.554 -6.964 45.509 1.0 6.81 ? 75 THR AA O 1 75 . A ATOM 2213 C CB . THR AA 1 75 ? 1.394 -7.851 48.103 1.0 8.25 ? 75 THR AA CB 1 75 . A ATOM 2214 O OG1 . THR AA 1 75 ? 2.057 -7.289 49.248 1.0 8.31 ? 75 THR AA OG1 1 75 . A ATOM 2215 C CG2 . THR AA 1 75 ? 2.350 -7.780 46.951 1.0 8.72 ? 75 THR AA CG2 1 75 . A ATOM 2216 N N . THR AA 1 76 ? -1.357 -8.645 46.783 1.0 6.04 ? 76 THR AA N 1 76 . A ATOM 2217 C CA . THR AA 1 76 ? -2.145 -9.207 45.693 1.0 5.55 ? 76 THR AA CA 1 76 . A ATOM 2218 C C . THR AA 1 76 ? -3.181 -8.180 45.220 1.0 5.82 ? 76 THR AA C 1 76 . A ATOM 2219 O O . THR AA 1 76 ? -3.413 -8.047 44.009 1.0 6.57 ? 76 THR AA O 1 76 . A ATOM 2220 C CB . THR AA 1 76 ? -2.854 -10.475 46.170 1.0 5.79 ? 76 THR AA CB 1 76 . A ATOM 2221 O OG1 . THR AA 1 76 ? -1.845 -11.467 46.467 1.0 6.22 ? 76 THR AA OG1 1 76 . A ATOM 2222 C CG2 . THR AA 1 76 ? -3.847 -11.016 45.085 1.0 6.22 ? 76 THR AA CG2 1 76 . A ATOM 2223 N N . ALA AA 1 77 ? -3.813 -7.460 46.139 1.0 6.0 ? 77 ALA AA N 1 77 . A ATOM 2224 C CA . ALA AA 1 77 ? -4.798 -6.450 45.757 1.0 6.05 ? 77 ALA AA CA 1 77 . A ATOM 2225 C C . ALA AA 1 77 ? -4.172 -5.348 44.894 1.0 5.98 ? 77 ALA AA C 1 77 . A ATOM 2226 O O . ALA AA 1 77 ? -4.781 -4.858 43.953 1.0 5.97 ? 77 ALA AA O 1 77 . A ATOM 2227 C CB . ALA AA 1 77 ? -5.464 -5.852 47.023 1.0 6.79 ? 77 ALA AA CB 1 77 . A ATOM 2228 N N . GLY AA 1 78 ? -2.969 -4.926 45.235 1.0 6.25 ? 78 GLY AA N 1 78 . A ATOM 2229 C CA . GLY AA 1 78 ? -2.306 -3.887 44.461 1.0 6.51 ? 78 GLY AA CA 1 78 . A ATOM 2230 C C . GLY AA 1 78 ? -1.983 -4.363 43.056 1.0 6.66 ? 78 GLY AA C 1 78 . A ATOM 2231 O O . GLY AA 1 78 ? -2.168 -3.622 42.084 1.0 8.15 ? 78 GLY AA O 1 78 . A ATOM 2232 N N . LEU AA 1 79 ? -1.508 -5.595 42.931 1.0 6.44 ? 79 LEU AA N 1 79 . A ATOM 2233 C CA . LEU AA 1 79 ? -1.216 -6.137 41.606 1.0 7.15 ? 79 LEU AA CA 1 79 . A ATOM 2234 C C . LEU AA 1 79 ? -2.518 -6.298 40.812 1.0 6.93 ? 79 LEU AA C 1 79 . A ATOM 2235 O O . LEU AA 1 79 ? -2.555 -6.049 39.600 1.0 7.57 ? 79 LEU AA O 1 79 . A ATOM 2236 C CB . LEU AA 1 79 ? -0.534 -7.496 41.704 1.0 7.85 ? 79 LEU AA CB 1 79 . A ATOM 2237 C CG . LEU AA 1 79 ? 0.874 -7.427 42.329 1.0 9.11 ? 79 LEU AA CG 1 79 . A ATOM 2238 C CD1 . LEU AA 1 79 ? 1.353 -8.859 42.504 1.0 10.88 ? 79 LEU AA CD1 1 79 . A ATOM 2239 C CD2 . LEU AA 1 79 ? 1.860 -6.621 41.435 1.0 11.35 ? 79 LEU AA CD2 1 79 . A ATOM 2240 N N . PHE AA 1 80 ? -3.590 -6.704 41.500 1.0 6.61 ? 80 PHE AA N 1 80 . A ATOM 2241 C CA . PHE AA 1 80 ? -4.894 -6.874 40.862 1.0 6.01 ? 80 PHE AA CA 1 80 . A ATOM 2242 C C . PHE AA 1 80 ? -5.432 -5.523 40.406 1.0 5.42 ? 80 PHE AA C 1 80 . A ATOM 2243 O O . PHE AA 1 80 ? -5.960 -5.411 39.292 1.0 6.26 ? 80 PHE AA O 1 80 . A ATOM 2244 C CB . PHE AA 1 80 ? -5.858 -7.563 41.818 1.0 5.97 ? 80 PHE AA CB 1 80 . A ATOM 2245 C CG . PHE AA 1 80 ? -7.210 -7.810 41.217 1.0 5.41 ? 80 PHE AA CG 1 80 . A ATOM 2246 C CD1 . PHE AA 1 80 ? -7.354 -8.617 40.102 1.0 6.43 ? 80 PHE AA CD1 1 80 . A ATOM 2247 C CD2 . PHE AA 1 80 ? -8.341 -7.233 41.776 1.0 4.83 ? 80 PHE AA CD2 1 80 . A ATOM 2248 C CE1 . PHE AA 1 80 ? -8.633 -8.859 39.539 1.0 6.42 ? 80 PHE AA CE1 1 80 . A ATOM 2249 C CE2 . PHE AA 1 80 ? -9.637 -7.472 41.206 1.0 5.84 ? 80 PHE AA CE2 1 80 . A ATOM 2250 C CZ . PHE AA 1 80 ? -9.758 -8.281 40.103 1.0 7.06 ? 80 PHE AA CZ 1 80 . A ATOM 2251 N N . GLY AA 1 81 ? -5.314 -4.497 41.242 1.0 5.44 ? 81 GLY AA N 1 81 . A ATOM 2252 C CA . GLY AA 1 81 ? -5.766 -3.169 40.844 1.0 7.0 ? 81 GLY AA CA 1 81 . A ATOM 2253 C C . GLY AA 1 81 ? -5.010 -2.636 39.633 1.0 7.37 ? 81 GLY AA C 1 81 . A ATOM 2254 O O . GLY AA 1 81 ? -5.596 -2.005 38.739 1.0 7.57 ? 81 GLY AA O 1 81 . A ATOM 2255 N N . ASP AA 1 82 ? -3.715 -2.912 39.578 1.0 7.26 ? 82 ASP AA N 1 82 . A ATOM 2256 C CA . ASP AA 1 82 ? -2.905 -2.441 38.441 1.0 8.27 ? 82 ASP AA CA 1 82 . A ATOM 2257 C C . ASP AA 1 82 ? -3.396 -3.167 37.181 1.0 8.39 ? 82 ASP AA C 1 82 . A ATOM 2258 O O . ASP AA 1 82 ? -3.568 -2.538 36.120 1.0 8.81 ? 82 ASP AA O 1 82 . A ATOM 2259 C CB . ASP AA 1 82 ? -1.435 -2.800 38.660 1.0 10.22 ? 82 ASP AA CB 1 82 . A ATOM 2260 C CG . ASP AA 1 82 ? -0.745 -1.882 39.646 1.0 12.84 ? 82 ASP AA CG 1 82 . A ATOM 2261 O OD1 . ASP AA 1 82 ? 0.348 -2.260 40.148 1.0 15.63 ? 82 ASP AA OD1 1 82 . A ATOM 2262 O OD2 . ASP AA 1 82 ? -1.288 -0.787 39.904 1.0 14.2 ? 82 ASP AA OD2 1 82 . A ATOM 2263 N N . TRP AA 1 83 ? -3.618 -4.472 37.286 1.0 8.02 ? 83 TRP AA N 1 83 . A ATOM 2264 C CA . TRP AA 1 83 ? -4.056 -5.276 36.152 1.0 8.66 ? 83 TRP AA CA 1 83 . A ATOM 2265 C C . TRP AA 1 83 ? -5.484 -4.878 35.751 1.0 8.43 ? 83 TRP AA C 1 83 . A ATOM 2266 O O . TRP AA 1 83 ? -5.813 -4.839 34.556 1.0 9.63 ? 83 TRP AA O 1 83 . A ATOM 2267 C CB . TRP AA 1 83 ? -3.955 -6.762 36.495 1.0 8.61 ? 83 TRP AA CB 1 83 . A ATOM 2268 C CG . TRP AA 1 83 ? -4.412 -7.663 35.415 1.0 9.24 ? 83 TRP AA CG 1 83 . A ATOM 2269 C CD1 . TRP AA 1 83 ? -3.695 -8.098 34.332 1.0 9.36 ? 83 TRP AA CD1 1 83 . A ATOM 2270 C CD2 . TRP AA 1 83 ? -5.720 -8.201 35.270 1.0 8.84 ? 83 TRP AA CD2 1 83 . A ATOM 2271 N NE1 . TRP AA 1 83 ? -4.478 -8.864 33.529 1.0 10.75 ? 83 TRP AA NE1 1 83 . A ATOM 2272 C CE2 . TRP AA 1 83 ? -5.734 -8.950 34.072 1.0 9.73 ? 83 TRP AA CE2 1 83 . A ATOM 2273 C CE3 . TRP AA 1 83 ? -6.887 -8.122 36.028 1.0 9.47 ? 83 TRP AA CE3 1 83 . A ATOM 2274 C CZ2 . TRP AA 1 83 ? -6.888 -9.619 33.611 1.0 10.02 ? 83 TRP AA CZ2 1 83 . A ATOM 2275 C CZ3 . TRP AA 1 83 ? -8.032 -8.789 35.567 1.0 10.43 ? 83 TRP AA CZ3 1 83 . A ATOM 2276 C CH2 . TRP AA 1 83 ? -8.021 -9.522 34.373 1.0 9.73 ? 83 TRP AA CH2 1 83 . A ATOM 2277 N N . ARG AA 1 84 ? -6.328 -4.552 36.724 1.0 8.18 ? 84 ARG AA N 1 84 . A ATOM 2278 C CA . ARG AA 1 84 ? -7.679 -4.096 36.398 1.0 8.2 ? 84 ARG AA CA 1 84 . A ATOM 2279 C C . ARG AA 1 84 ? -7.623 -2.781 35.579 1.0 8.48 ? 84 ARG AA C 1 84 . A ATOM 2280 O O . ARG AA 1 84 ? -8.385 -2.631 34.603 1.0 8.9 ? 84 ARG AA O 1 84 . A ATOM 2281 C CB . ARG AA 1 84 ? -8.463 -3.840 37.683 1.0 8.02 ? 84 ARG AA CB 1 84 . A ATOM 2282 C CG . ARG AA 1 84 ? -9.818 -3.256 37.366 1.0 10.01 ? 84 ARG AA CG 1 84 . A ATOM 2283 C CD . ARG AA 1 84 ? -10.506 -2.640 38.531 1.0 10.11 ? 84 ARG AA CD 1 84 . A ATOM 2284 N NE . ARG AA 1 84 ? -11.832 -2.186 38.123 1.0 9.31 ? 84 ARG AA NE 1 84 . A ATOM 2285 C CZ . ARG AA 1 84 ? -12.305 -0.967 38.358 1.0 10.44 ? 84 ARG AA CZ 1 84 . A ATOM 2286 N NH1 . ARG AA 1 84 ? -11.571 -0.047 38.977 1.0 9.95 ? 84 ARG AA NH1 1 84 . A ATOM 2287 N NH2 . ARG AA 1 84 ? -13.548 -0.695 38.031 1.0 8.09 ? 84 ARG AA NH2 1 84 . A ATOM 2288 N N . GLU AA 1 85 ? -6.779 -1.841 35.982 1.0 8.31 ? 85 GLU AA N 1 85 . A ATOM 2289 C CA . GLU AA 1 85 ? -6.696 -0.573 35.271 1.0 8.92 ? 85 GLU AA CA 1 85 . A ATOM 2290 C C . GLU AA 1 85 ? -6.079 -0.752 33.886 1.0 9.46 ? 85 GLU AA C 1 85 . A ATOM 2291 O O . GLU AA 1 85 ? -6.543 -0.126 32.908 1.0 11.07 ? 85 GLU AA O 1 85 . A ATOM 2292 C CB . GLU AA 1 85 ? -5.850 0.438 36.066 1.0 10.26 ? 85 GLU AA CB 1 85 . A ATOM 2293 C CG . GLU AA 1 85 ? -5.738 1.864 35.452 1.0 12.02 ? 85 GLU AA CG 1 85 . A ATOM 2294 C CD . GLU AA 1 85 ? -4.634 2.064 34.375 1.0 14.9 ? 85 GLU AA CD 1 85 . A ATOM 2295 O OE1 . GLU AA 1 85 ? -3.688 1.261 34.252 1.0 13.8 ? 85 GLU AA OE1 1 85 . A ATOM 2296 O OE2 . GLU AA 1 85 ? -4.732 3.081 33.657 1.0 14.86 ? 85 GLU AA OE2 1 85 . A ATOM 2297 N N . ARG AA 1 86 ? -5.106 -1.642 33.763 1.0 8.93 ? 86 ARG AA N 1 86 . A ATOM 2298 C CA . ARG AA 1 86 ? -4.400 -1.810 32.484 1.0 10.7 ? 86 ARG AA CA 1 86 . A ATOM 2299 C C . ARG AA 1 86 ? -5.114 -2.714 31.514 1.0 10.42 ? 86 ARG AA C 1 86 . A ATOM 2300 O O . ARG AA 1 86 ? -5.159 -2.442 30.287 1.0 12.78 ? 86 ARG AA O 1 86 . A ATOM 2301 C CB . ARG AA 1 86 ? -2.996 -2.371 32.754 1.0 11.2 ? 86 ARG AA CB 1 86 . A ATOM 2302 C CG . ARG AA 1 86 ? -2.161 -2.579 31.487 1.0 14.02 ? 86 ARG AA CG 1 86 . A ATOM 2303 C CD . ARG AA 1 86 ? -0.713 -2.969 31.813 1.0 15.64 ? 86 ARG AA CD 1 86 . A ATOM 2304 N NE . ARG AA 1 86 ? -0.622 -4.180 32.611 1.0 18.82 ? 86 ARG AA NE 1 86 . A ATOM 2305 C CZ . ARG AA 1 86 ? -0.699 -5.418 32.131 1.0 19.92 ? 86 ARG AA CZ 1 86 . A ATOM 2306 N NH1 . ARG AA 1 86 ? -0.869 -5.636 30.823 1.0 22.62 ? 86 ARG AA NH1 1 86 . A ATOM 2307 N NH2 . ARG AA 1 86 ? -0.595 -6.448 32.961 1.0 21.53 ? 86 ARG AA NH2 1 86 . A ATOM 2308 N N . VAL AA 1 87 ? -5.735 -3.761 32.034 1.0 10.58 ? 87 VAL AA N 1 87 . A ATOM 2309 C CA . VAL AA 1 87 ? -6.370 -4.764 31.201 1.0 10.3 ? 87 VAL AA CA 1 87 . A ATOM 2310 C C . VAL AA 1 87 ? -7.880 -4.917 31.352 1.0 11.12 ? 87 VAL AA C 1 87 . A ATOM 2311 O O . VAL AA 1 87 ? -8.617 -4.727 30.393 1.0 11.02 ? 87 VAL AA O 1 87 . A ATOM 2312 C CB . VAL AA 1 87 ? -5.701 -6.161 31.451 1.0 10.84 ? 87 VAL AA CB 1 87 . A ATOM 2313 C CG1 . VAL AA 1 87 ? -6.357 -7.266 30.611 1.0 11.77 ? 87 VAL AA CG1 1 87 . A ATOM 2314 C CG2 . VAL AA 1 87 ? -4.220 -6.087 31.145 1.0 11.47 ? 87 VAL AA CG2 1 87 . A ATOM 2315 N N . LEU AA 1 88 ? -8.347 -5.236 32.551 1.0 11.26 ? 88 LEU AA N 1 88 . A ATOM 2316 C CA . LEU AA 1 88 ? -9.779 -5.505 32.708 1.0 11.0 ? 88 LEU AA CA 1 88 . A ATOM 2317 C C . LEU AA 1 88 ? -10.729 -4.372 32.294 1.0 10.08 ? 88 LEU AA C 1 88 . A ATOM 2318 O O . LEU AA 1 88 ? -11.742 -4.634 31.647 1.0 11.18 ? 88 LEU AA O 1 88 . A ATOM 2319 C CB . LEU AA 1 88 ? -10.068 -5.952 34.143 1.0 12.05 ? 88 LEU AA CB 1 88 . A ATOM 2320 C CG . LEU AA 1 88 ? -11.397 -6.680 34.359 1.0 12.59 ? 88 LEU AA CG 1 88 . A ATOM 2321 C CD1 . LEU AA 1 88 ? -11.420 -8.024 33.626 1.0 14.8 ? 88 LEU AA CD1 1 88 . A ATOM 2322 C CD2 . LEU AA 1 88 ? -11.578 -6.864 35.858 1.0 12.5 ? 88 LEU AA CD2 1 88 . A ATOM 2323 N N . LEU AA 1 89 ? -10.421 -3.134 32.670 1.0 9.74 ? 89 LEU AA N 1 89 . A ATOM 2324 C CA . LEU AA 1 89 ? -11.259 -1.995 32.304 1.0 9.62 ? 89 LEU AA CA 1 89 . A ATOM 2325 C C . LEU AA 1 89 ? -11.284 -1.742 30.807 1.0 11.3 ? 89 LEU AA C 1 89 . A ATOM 2326 O O . LEU AA 1 89 ? -12.219 -1.113 30.313 1.0 11.31 ? 89 LEU AA O 1 89 . A ATOM 2327 C CB . LEU AA 1 89 ? -10.822 -0.730 33.030 1.0 9.28 ? 89 LEU AA CB 1 89 . A ATOM 2328 C CG . LEU AA 1 89 ? -11.399 -0.647 34.454 1.0 9.7 ? 89 LEU AA CG 1 89 . A ATOM 2329 C CD1 . LEU AA 1 89 ? -10.702 0.443 35.246 1.0 10.87 ? 89 LEU AA CD1 1 89 . A ATOM 2330 C CD2 . LEU AA 1 89 ? -12.898 -0.339 34.366 1.0 10.39 ? 89 LEU AA CD2 1 89 . A ATOM 2331 N N . LYS AA 1 90 ? -10.270 -2.217 30.089 1.0 11.37 ? 90 LYS AA N 1 90 . A ATOM 2332 C CA . LYS AA 1 90 ? -10.236 -2.058 28.624 1.0 13.15 ? 90 LYS AA CA 1 90 . A ATOM 2333 C C . LYS AA 1 90 ? -11.131 -3.111 27.965 1.0 13.66 ? 90 LYS AA C 1 90 . A ATOM 2334 O O . LYS AA 1 90 ? -11.534 -2.949 26.809 1.0 15.12 ? 90 LYS AA O 1 90 . A ATOM 2335 C CB . LYS AA 1 90 ? -8.797 -2.176 28.111 1.0 14.29 ? 90 LYS AA CB 1 90 . A ATOM 2336 C CG . LYS AA 1 90 ? -7.849 -1.074 28.590 1.0 17.85 ? 90 LYS AA CG 1 90 . A ATOM 2337 C CD . LYS AA 1 90 ? -8.361 0.314 28.276 1.0 21.94 ? 90 LYS AA CD 1 90 . A ATOM 2338 C CE . LYS AA 1 90 ? -7.358 1.401 28.728 1.0 23.36 ? 90 LYS AA CE 1 90 . A ATOM 2339 N NZ . LYS AA 1 90 ? -7.083 1.394 30.191 1.0 24.84 ? 90 LYS AA NZ 1 90 . A ATOM 2340 N N . LYS AA 1 91 ? -11.465 -4.172 28.685 1.0 12.75 ? 91 LYS AA N 1 91 . A ATOM 2341 C CA . LYS AA 1 91 ? -12.327 -5.221 28.149 1.0 13.9 ? 91 LYS AA CA 1 91 . A ATOM 2342 C C . LYS AA 1 91 ? -13.785 -4.783 28.225 1.0 13.0 ? 91 LYS AA C 1 91 . A ATOM 2343 O O . LYS AA 1 91 ? -14.530 -4.929 27.259 1.0 14.35 ? 91 LYS AA O 1 91 . A ATOM 2344 C CB . LYS AA 1 91 ? -12.172 -6.518 28.935 1.0 15.39 ? 91 LYS AA CB 1 91 . A ATOM 2345 C CG . LYS AA 1 91 ? -10.768 -7.087 28.934 1.0 19.11 ? 91 LYS AA CG 1 91 . A ATOM 2346 C CD . LYS AA 1 91 ? -10.775 -8.586 28.983 1.0 21.61 ? 91 LYS AA CD 1 91 . A ATOM 2347 C CE . LYS AA 1 91 ? -11.582 -9.108 30.158 1.0 22.0 ? 91 LYS AA CE 1 91 . A ATOM 2348 N NZ . LYS AA 1 91 ? -11.570 -10.589 30.210 1.0 23.46 ? 91 LYS AA NZ 1 91 . A ATOM 2349 N N . LYS AA 1 92 ? -14.201 -4.267 29.378 1.0 11.96 ? 92 LYS AA N 1 92 . A ATOM 2350 C CA . LYS AA 1 92 ? -15.568 -3.797 29.557 1.0 11.48 ? 92 LYS AA CA 1 92 . A ATOM 2351 C C . LYS AA 1 92 ? -15.597 -2.873 30.751 1.0 10.78 ? 92 LYS AA C 1 92 . A ATOM 2352 O O . LYS AA 1 92 ? -15.002 -3.190 31.802 1.0 10.47 ? 92 LYS AA O 1 92 . A ATOM 2353 C CB . LYS AA 1 92 ? -16.525 -4.976 29.789 1.0 11.09 ? 92 LYS AA CB 1 92 . A ATOM 2354 C CG . LYS AA 1 92 ? -17.990 -4.568 29.726 1.0 11.51 ? 92 LYS AA CG 1 92 . A ATOM 2355 C CD . LYS AA 1 92 ? -18.922 -5.791 29.882 1.0 12.25 ? 92 LYS AA CD 1 92 . A ATOM 2356 C CE . LYS AA 1 92 ? -20.414 -5.388 29.830 1.0 12.1 ? 92 LYS AA CE 1 92 . A ATOM 2357 N NZ . LYS AA 1 92 ? -21.281 -6.541 30.106 1.0 12.84 ? 92 LYS AA NZ 1 92 . A ATOM 2358 N N . ASN AA 1 93 ? -16.280 -1.738 30.627 1.0 10.5 ? 93 ASN AA N 1 93 . A ATOM 2359 C CA . ASN AA 1 93 ? -16.325 -0.821 31.745 1.0 11.78 ? 93 ASN AA CA 1 93 . A ATOM 2360 C C . ASN AA 1 93 ? -17.155 -1.388 32.871 1.0 10.24 ? 93 ASN AA C 1 93 . A ATOM 2361 O O . ASN AA 1 93 ? -18.110 -2.113 32.657 1.0 10.76 ? 93 ASN AA O 1 93 . A ATOM 2362 C CB . ASN AA 1 93 ? -16.892 0.523 31.355 1.0 15.53 ? 93 ASN AA CB 1 93 . A ATOM 2363 C CG . ASN AA 1 93 ? -16.772 1.521 32.483 1.0 18.08 ? 93 ASN AA CG 1 93 . A ATOM 2364 O OD1 . ASN AA 1 93 ? -15.695 1.673 33.091 1.0 19.61 ? 93 ASN AA OD1 1 93 . A ATOM 2365 N ND2 . ASN AA 1 93 ? -17.871 2.195 32.793 1.0 20.97 ? 93 ASN AA ND2 1 93 . A ATOM 2366 N N . HIS AA 1 94 ? -16.712 -1.101 34.083 1.0 9.17 ? 94 HIS AA N 1 94 . A ATOM 2367 C CA . HIS AA 1 94 ? -17.403 -1.547 35.285 1.0 7.43 ? 94 HIS AA CA 1 94 . A ATOM 2368 C C . HIS AA 1 94 ? -16.909 -0.656 36.435 1.0 7.1 ? 94 HIS AA C 1 94 . A ATOM 2369 O O . HIS AA 1 94 ? -15.931 0.106 36.299 1.0 6.78 ? 94 HIS AA O 1 94 . A ATOM 2370 C CB . HIS AA 1 94 ? -17.124 -3.022 35.556 1.0 7.83 ? 94 HIS AA CB 1 94 . A ATOM 2371 C CG . HIS AA 1 94 ? -15.670 -3.332 35.707 1.0 6.72 ? 94 HIS AA CG 1 94 . A ATOM 2372 N ND1 . HIS AA 1 94 ? -14.819 -3.477 34.627 1.0 7.99 ? 94 HIS AA ND1 1 94 . A ATOM 2373 C CD2 . HIS AA 1 94 ? -14.911 -3.493 36.815 1.0 6.38 ? 94 HIS AA CD2 1 94 . A ATOM 2374 C CE1 . HIS AA 1 94 ? -13.596 -3.715 35.073 1.0 8.13 ? 94 HIS AA CE1 1 94 . A ATOM 2375 N NE2 . HIS AA 1 94 ? -13.625 -3.735 36.395 1.0 7.36 ? 94 HIS AA NE2 1 94 . A ATOM 2376 N N . ASP AA 1 95 ? -17.571 -0.772 37.574 1.0 6.07 ? 95 ASP AA N 1 95 . A ATOM 2377 C CA . ASP AA 1 95 ? -17.291 0.096 38.703 1.0 5.97 ? 95 ASP AA CA 1 95 . A ATOM 2378 C C . ASP AA 1 95 ? -16.367 -0.390 39.792 1.0 5.59 ? 95 ASP AA C 1 95 . A ATOM 2379 O O . ASP AA 1 95 ? -15.739 0.424 40.470 1.0 6.03 ? 95 ASP AA O 1 95 . A ATOM 2380 C CB . ASP AA 1 95 ? -18.609 0.475 39.401 1.0 7.08 ? 95 ASP AA CB 1 95 . A ATOM 2381 C CG . ASP AA 1 95 ? -19.598 1.132 38.473 1.0 9.14 ? 95 ASP AA CG 1 95 . A ATOM 2382 O OD1 . ASP AA 1 95 ? -20.807 0.832 38.622 1.0 9.37 ? 95 ASP AA OD1 1 95 . A ATOM 2383 O OD2 . ASP AA 1 95 ? -19.173 1.933 37.615 1.0 10.52 ? 95 ASP AA OD2 1 95 . A ATOM 2384 N N . HIS AA 1 96 ? -16.340 -1.696 39.984 1.0 4.75 ? 96 HIS AA N 1 96 . A ATOM 2385 C CA . HIS AA 1 96 ? -15.577 -2.304 41.074 1.0 4.9 ? 96 HIS AA CA 1 96 . A ATOM 2386 C C . HIS AA 1 96 ? -15.300 -3.714 40.644 1.0 4.47 ? 96 HIS AA C 1 96 . A ATOM 2387 O O . HIS AA 1 96 ? -16.160 -4.360 40.025 1.0 5.06 ? 96 HIS AA O 1 96 . A ATOM 2388 C CB . HIS AA 1 96 ? -16.460 -2.319 42.344 1.0 4.75 ? 96 HIS AA CB 1 96 . A ATOM 2389 C CG . HIS AA 1 96 ? -15.791 -2.885 43.568 1.0 4.42 ? 96 HIS AA CG 1 96 . A ATOM 2390 N ND1 . HIS AA 1 96 ? -15.990 -4.162 44.067 1.0 7.95 ? 96 HIS AA ND1 1 96 . A ATOM 2391 C CD2 . HIS AA 1 96 ? -14.942 -2.279 44.424 1.0 3.16 ? 96 HIS AA CD2 1 96 . A ATOM 2392 C CE1 . HIS AA 1 96 ? -15.285 -4.312 45.185 1.0 3.51 ? 96 HIS AA CE1 1 96 . A ATOM 2393 N NE2 . HIS AA 1 96 ? -14.640 -3.181 45.415 1.0 6.54 ? 96 HIS AA NE2 1 96 . A ATOM 2394 N N . ALA AA 1 97 ? -14.118 -4.226 40.952 1.0 5.21 ? 97 ALA AA N 1 97 . A ATOM 2395 C CA . ALA AA 1 97 ? -13.787 -5.605 40.612 1.0 4.76 ? 97 ALA AA CA 1 97 . A ATOM 2396 C C . ALA AA 1 97 ? -13.279 -6.375 41.830 1.0 4.5 ? 97 ALA AA C 1 97 . A ATOM 2397 O O . ALA AA 1 97 ? -12.518 -5.834 42.645 1.0 5.1 ? 97 ALA AA O 1 97 . A ATOM 2398 C CB . ALA AA 1 97 ? -12.679 -5.635 39.563 1.0 6.06 ? 97 ALA AA CB 1 97 . A ATOM 2399 N N . GLN AA 1 98 ? -13.702 -7.634 41.946 1.0 4.56 ? 98 GLN AA N 1 98 . A ATOM 2400 C CA . GLN AA 1 98 ? -13.173 -8.477 43.025 1.0 4.2 ? 98 GLN AA CA 1 98 . A ATOM 2401 C C . GLN AA 1 98 ? -12.518 -9.716 42.454 1.0 5.02 ? 98 GLN AA C 1 98 . A ATOM 2402 O O . GLN AA 1 98 ? -13.035 -10.324 41.501 1.0 5.03 ? 98 GLN AA O 1 98 . A ATOM 2403 C CB . GLN AA 1 98 ? -14.273 -8.891 43.990 1.0 4.38 ? 98 GLN AA CB 1 98 . A ATOM 2404 C CG . GLN AA 1 98 ? -14.981 -7.688 44.587 1.0 4.6 ? 98 GLN AA CG 1 98 . A ATOM 2405 C CD . GLN AA 1 98 ? -15.699 -8.011 45.873 1.0 4.66 ? 98 GLN AA CD 1 98 . A ATOM 2406 O OE1 . GLN AA 1 98 ? -15.940 -9.186 46.226 1.0 6.85 ? 98 GLN AA OE1 1 98 . A ATOM 2407 N NE2 . GLN AA 1 98 ? -16.062 -6.954 46.601 1.0 4.91 ? 98 GLN AA NE2 1 98 . A ATOM 2408 N N . LEU AA 1 99 ? -11.376 -10.079 43.029 1.0 4.95 ? 99 LEU AA N 1 99 . A ATOM 2409 C CA . LEU AA 1 99 ? -10.657 -11.281 42.653 1.0 5.46 ? 99 LEU AA CA 1 99 . A ATOM 2410 C C . LEU AA 1 99 ? -11.035 -12.365 43.644 1.0 5.35 ? 99 LEU AA C 1 99 . A ATOM 2411 O O . LEU AA 1 99 ? -10.824 -12.180 44.842 1.0 5.93 ? 99 LEU AA O 1 99 . A ATOM 2412 C CB . LEU AA 1 99 ? -9.137 -11.017 42.736 1.0 6.2 ? 99 LEU AA CB 1 99 . A ATOM 2413 C CG . LEU AA 1 99 ? -8.270 -12.249 42.457 1.0 6.93 ? 99 LEU AA CG 1 99 . A ATOM 2414 C CD1 . LEU AA 1 99 ? -8.370 -12.674 40.984 1.0 9.02 ? 99 LEU AA CD1 1 99 . A ATOM 2415 C CD2 . LEU AA 1 99 ? -6.832 -11.888 42.840 1.0 9.39 ? 99 LEU AA CD2 1 99 . A ATOM 2416 N N . LEU AA 1 100 ? -11.555 -13.477 43.164 1.0 5.39 ? 100 LEU AA N 1 100 . A ATOM 2417 C CA . LEU AA 1 100 ? -11.895 -14.622 44.005 1.0 5.26 ? 100 LEU AA CA 1 100 . A ATOM 2418 C C . LEU AA 1 100 ? -10.761 -15.635 43.816 1.0 5.7 ? 100 LEU AA C 1 100 . A ATOM 2419 O O . LEU AA 1 100 ? -10.415 -15.984 42.694 1.0 7.6 ? 100 LEU AA O 1 100 . A ATOM 2420 C CB . LEU AA 1 100 ? -13.227 -15.247 43.565 1.0 7.81 ? 100 LEU AA CB 1 100 . A ATOM 2421 C CG . LEU AA 1 100 ? -14.493 -14.515 43.968 1.0 9.21 ? 100 LEU AA CG 1 100 . A ATOM 2422 C CD1 . LEU AA 1 100 ? -15.671 -15.243 43.326 1.0 11.71 ? 100 LEU AA CD1 1 100 . A ATOM 2423 C CD2 . LEU AA 1 100 ? -14.678 -14.554 45.485 1.0 12.75 ? 100 LEU AA CD2 1 100 . A ATOM 2424 N N . THR AA 1 101 ? -10.251 -16.158 44.933 1.0 6.25 ? 101 THR AA N 1 101 . A ATOM 2425 C CA . THR AA 1 101 ? -9.117 -17.072 44.882 1.0 6.21 ? 101 THR AA CA 1 101 . A ATOM 2426 C C . THR AA 1 101 ? -9.218 -18.114 45.972 1.0 6.26 ? 101 THR AA C 1 101 . A ATOM 2427 O O . THR AA 1 101 ? -9.929 -17.910 46.961 1.0 6.74 ? 101 THR AA O 1 101 . A ATOM 2428 C CB . THR AA 1 101 ? -7.807 -16.241 45.085 1.0 6.89 ? 101 THR AA CB 1 101 . A ATOM 2429 O OG1 . THR AA 1 101 ? -6.660 -17.098 44.992 1.0 8.81 ? 101 THR AA OG1 1 101 . A ATOM 2430 C CG2 . THR AA 1 101 ? -7.778 -15.593 46.447 1.0 8.07 ? 101 THR AA CG2 1 101 . A ATOM 2431 N N . ASP AA 1 102 ? -8.521 -19.242 45.814 1.0 6.08 ? 102 ASP AA N 1 102 . A ATOM 2432 C CA . ASP AA 1 102 ? -8.486 -20.208 46.887 1.0 7.0 ? 102 ASP AA CA 1 102 . A ATOM 2433 C C . ASP AA 1 102 ? -7.189 -20.080 47.710 1.0 6.28 ? 102 ASP AA C 1 102 . A ATOM 2434 O O . ASP AA 1 102 ? -6.897 -20.900 48.574 1.0 8.05 ? 102 ASP AA O 1 102 . A ATOM 2435 C CB . ASP AA 1 102 ? -8.598 -21.611 46.327 1.0 8.76 ? 102 ASP AA CB 1 102 . A ATOM 2436 C CG . ASP AA 1 102 ? -8.873 -22.603 47.386 1.0 10.99 ? 102 ASP AA CG 1 102 . A ATOM 2437 O OD1 . ASP AA 1 102 ? -8.172 -23.625 47.389 1.0 14.59 ? 102 ASP AA OD1 1 102 . A ATOM 2438 O OD2 . ASP AA 1 102 ? -9.790 -22.375 48.212 1.0 14.73 ? 102 ASP AA OD2 1 102 . A ATOM 2439 N N . THR AA 1 103 ? -6.406 -19.050 47.411 1.0 6.09 ? 103 THR AA N 1 103 . A ATOM 2440 C CA . THR AA 1 103 ? -5.127 -18.815 48.094 1.0 6.2 ? 103 THR AA CA 1 103 . A ATOM 2441 C C . THR AA 1 103 ? -5.271 -18.736 49.587 1.0 6.68 ? 103 THR AA C 1 103 . A ATOM 2442 O O . THR AA 1 103 ? -6.151 -18.073 50.101 1.0 6.47 ? 103 THR AA O 1 103 . A ATOM 2443 C CB . THR AA 1 103 ? -4.493 -17.491 47.586 1.0 5.69 ? 103 THR AA CB 1 103 . A ATOM 2444 O OG1 . THR AA 1 103 ? -4.238 -17.613 46.182 1.0 7.61 ? 103 THR AA OG1 1 103 . A ATOM 2445 C CG2 . THR AA 1 103 ? -3.201 -17.163 48.324 1.0 6.66 ? 103 THR AA CG2 1 103 . A ATOM 2446 N N . ASN AA 1 104 ? -4.389 -19.438 50.304 1.0 6.29 ? 104 ASN AA N 1 104 . A ATOM 2447 C CA . ASN AA 1 104 ? -4.392 -19.379 51.760 1.0 7.96 ? 104 ASN AA CA 1 104 . A ATOM 2448 C C . ASN AA 1 104 ? -3.615 -18.094 52.133 1.0 7.69 ? 104 ASN AA C 1 104 . A ATOM 2449 O O . ASN AA 1 104 ? -2.403 -18.131 52.419 1.0 8.06 ? 104 ASN AA O 1 104 . A ATOM 2450 C CB . ASN AA 1 104 ? -3.692 -20.652 52.309 1.0 9.12 ? 104 ASN AA CB 1 104 . A ATOM 2451 C CG . ASN AA 1 104 ? -3.871 -20.825 53.780 1.0 11.14 ? 104 ASN AA CG 1 104 . A ATOM 2452 O OD1 . ASN AA 1 104 ? -3.343 -21.771 54.375 1.0 15.08 ? 104 ASN AA OD1 1 104 . A ATOM 2453 N ND2 . ASN AA 1 104 ? -4.610 -19.952 54.378 1.0 11.04 ? 104 ASN AA ND2 1 104 . A ATOM 2454 N N . PHE AA 1 105 ? -4.293 -16.952 52.114 1.0 6.32 ? 105 PHE AA N 1 105 . A ATOM 2455 C CA . PHE AA 1 105 ? -3.654 -15.688 52.432 1.0 6.26 ? 105 PHE AA CA 1 105 . A ATOM 2456 C C . PHE AA 1 105 ? -3.072 -15.683 53.827 1.0 6.61 ? 105 PHE AA C 1 105 . A ATOM 2457 O O . PHE AA 1 105 ? -3.607 -16.304 54.760 1.0 7.32 ? 105 PHE AA O 1 105 . A ATOM 2458 C CB . PHE AA 1 105 ? -4.625 -14.504 52.331 1.0 7.18 ? 105 PHE AA CB 1 105 . A ATOM 2459 C CG . PHE AA 1 105 ? -5.093 -14.177 50.939 1.0 7.11 ? 105 PHE AA CG 1 105 . A ATOM 2460 C CD1 . PHE AA 1 105 ? -6.460 -14.049 50.696 1.0 8.81 ? 105 PHE AA CD1 1 105 . A ATOM 2461 C CD2 . PHE AA 1 105 ? -4.197 -13.873 49.913 1.0 7.63 ? 105 PHE AA CD2 1 105 . A ATOM 2462 C CE1 . PHE AA 1 105 ? -6.940 -13.604 49.447 1.0 9.72 ? 105 PHE AA CE1 1 105 . A ATOM 2463 C CE2 . PHE AA 1 105 ? -4.691 -13.431 48.674 1.0 7.19 ? 105 PHE AA CE2 1 105 . A ATOM 2464 C CZ . PHE AA 1 105 ? -6.059 -13.296 48.450 1.0 8.81 ? 105 PHE AA CZ 1 105 . A ATOM 2465 N N . ALA AA 1 106 ? -1.982 -14.940 53.951 1.0 6.72 ? 106 ALA AA N 1 106 . A ATOM 2466 C CA . ALA AA 1 106 ? -1.250 -14.779 55.194 1.0 7.99 ? 106 ALA AA CA 1 106 . A ATOM 2467 C C . ALA AA 1 106 ? -2.144 -14.155 56.258 1.0 8.71 ? 106 ALA AA C 1 106 . A ATOM 2468 O O . ALA AA 1 106 ? -3.116 -13.449 55.954 1.0 8.01 ? 106 ALA AA O 1 106 . A ATOM 2469 C CB . ALA AA 1 106 ? -0.060 -13.873 54.936 1.0 8.24 ? 106 ALA AA CB 1 106 . A ATOM 2470 N N . ARG AA 1 107 ? -1.749 -14.338 57.515 1.0 9.18 ? 107 ARG AA N 1 107 . A ATOM 2471 C CA . ARG AA 1 107 ? -2.479 -13.805 58.674 1.0 9.88 ? 107 ARG AA CA 1 107 . A ATOM 2472 C C . ARG AA 1 107 ? -3.935 -14.258 58.749 1.0 9.28 ? 107 ARG AA C 1 107 . A ATOM 2473 O O . ARG AA 1 107 ? -4.807 -13.508 59.205 1.0 9.58 ? 107 ARG AA O 1 107 . A ATOM 2474 C CB . ARG AA 1 107 ? -2.339 -12.278 58.716 1.0 11.83 ? 107 ARG AA CB 1 107 . A ATOM 2475 C CG . ARG AA 1 107 ? -0.894 -11.845 58.732 1.0 14.83 ? 107 ARG AA CG 1 107 . A ATOM 2476 C CD . ARG AA 1 107 ? -0.734 -10.378 59.090 1.0 18.21 ? 107 ARG AA CD 1 107 . A ATOM 2477 N NE . ARG AA 1 107 ? -1.529 -10.007 60.259 1.0 22.71 ? 107 ARG AA NE 1 107 . A ATOM 2478 C CZ . ARG AA 1 107 ? -1.751 -8.752 60.654 1.0 24.11 ? 107 ARG AA CZ 1 107 . A ATOM 2479 N NH1 . ARG AA 1 107 ? -1.232 -7.734 59.974 1.0 25.83 ? 107 ARG AA NH1 1 107 . A ATOM 2480 N NH2 . ARG AA 1 107 ? -2.511 -8.512 61.723 1.0 25.96 ? 107 ARG AA NH2 1 107 . A ATOM 2481 N N . ASN AA 1 108 ? -4.213 -15.473 58.293 1.0 8.19 ? 108 ASN AA N 1 108 . A ATOM 2482 C CA . ASN AA 1 108 ? -5.556 -16.043 58.362 1.0 8.85 ? 108 ASN AA CA 1 108 . A ATOM 2483 C C . ASN AA 1 108 ? -6.532 -15.036 57.721 1.0 8.19 ? 108 ASN AA C 1 108 . A ATOM 2484 O O . ASN AA 1 108 ? -7.631 -14.778 58.252 1.0 9.07 ? 108 ASN AA O 1 108 . A ATOM 2485 C CB . ASN AA 1 108 ? -5.911 -16.277 59.852 1.0 10.64 ? 108 ASN AA CB 1 108 . A ATOM 2486 C CG . ASN AA 1 108 ? -7.032 -17.249 60.049 1.0 12.49 ? 108 ASN AA CG 1 108 . A ATOM 2487 O OD1 . ASN AA 1 108 ? -7.687 -17.227 61.106 1.0 15.71 ? 108 ASN AA OD1 1 108 . A ATOM 2488 N ND2 . ASN AA 1 108 ? -7.260 -18.128 59.082 1.0 13.95 ? 108 ASN AA ND2 1 108 . A ATOM 2489 N N . THR AA 1 109 ? -6.153 -14.485 56.569 1.0 6.48 ? 109 THR AA N 1 109 . A ATOM 2490 C CA . THR AA 1 109 ? -6.976 -13.453 55.918 1.0 6.37 ? 109 THR AA CA 1 109 . A ATOM 2491 C C . THR AA 1 109 ? -7.932 -14.044 54.903 1.0 6.3 ? 109 THR AA C 1 109 . A ATOM 2492 O O . THR AA 1 109 ? -7.554 -14.878 54.088 1.0 6.74 ? 109 THR AA O 1 109 . A ATOM 2493 C CB . THR AA 1 109 ? -6.063 -12.446 55.213 1.0 5.17 ? 109 THR AA CB 1 109 . A ATOM 2494 O OG1 . THR AA 1 109 ? -5.296 -11.758 56.211 1.0 6.94 ? 109 THR AA OG1 1 109 . A ATOM 2495 C CG2 . THR AA 1 109 ? -6.853 -11.397 54.408 1.0 6.88 ? 109 THR AA CG2 1 109 . A ATOM 2496 N N . ILE AA 1 110 ? -9.196 -13.630 54.970 1.0 5.33 ? 110 ILE AA N 1 110 . A ATOM 2497 C CA . ILE AA 1 110 ? -10.200 -14.120 54.039 1.0 4.77 ? 110 ILE AA CA 1 110 . A ATOM 2498 C C . ILE AA 1 110 ? -10.681 -13.067 53.035 1.0 4.73 ? 110 ILE AA C 1 110 . A ATOM 2499 O O . ILE AA 1 110 ? -11.420 -13.391 52.092 1.0 4.37 ? 110 ILE AA O 1 110 . A ATOM 2500 C CB . ILE AA 1 110 ? -11.406 -14.737 54.787 1.0 5.64 ? 110 ILE AA CB 1 110 . A ATOM 2501 C CG1 . ILE AA 1 110 ? -12.028 -13.698 55.728 1.0 5.5 ? 110 ILE AA CG1 1 110 . A ATOM 2502 C CG2 . ILE AA 1 110 ? -10.935 -16.004 55.523 1.0 7.18 ? 110 ILE AA CG2 1 110 . A ATOM 2503 C CD1 . ILE AA 1 110 ? -13.412 -14.148 56.333 1.0 7.25 ? 110 ILE AA CD1 1 110 . A ATOM 2504 N N . GLY AA 1 111 ? -10.271 -11.812 53.248 1.0 4.28 ? 111 GLY AA N 1 111 . A ATOM 2505 C CA . GLY AA 1 111 ? -10.620 -10.750 52.322 1.0 4.58 ? 111 GLY AA CA 1 111 . A ATOM 2506 C C . GLY AA 1 111 ? -9.911 -9.456 52.661 1.0 4.73 ? 111 GLY AA C 1 111 . A ATOM 2507 O O . GLY AA 1 111 ? -9.495 -9.267 53.812 1.0 4.91 ? 111 GLY AA O 1 111 . A ATOM 2508 N N . TRP AA 1 112 ? -9.740 -8.586 51.666 1.0 4.02 ? 112 TRP AA N 1 112 . A ATOM 2509 C CA . TRP AA 1 112 ? -9.103 -7.285 51.879 1.0 4.47 ? 112 TRP AA CA 1 112 . A ATOM 2510 C C . TRP AA 1 112 ? -9.519 -6.324 50.772 1.0 4.82 ? 112 TRP AA C 1 112 . A ATOM 2511 O O . TRP AA 1 112 ? -9.735 -6.736 49.624 1.0 5.88 ? 112 TRP AA O 1 112 . A ATOM 2512 C CB . TRP AA 1 112 ? -7.573 -7.454 51.866 1.0 5.77 ? 112 TRP AA CB 1 112 . A ATOM 2513 C CG . TRP AA 1 112 ? -6.825 -6.241 52.372 1.0 6.59 ? 112 TRP AA CG 1 112 . A ATOM 2514 C CD1 . TRP AA 1 112 ? -6.477 -5.978 53.673 1.0 8.76 ? 112 TRP AA CD1 1 112 . A ATOM 2515 C CD2 . TRP AA 1 112 ? -6.379 -5.134 51.602 1.0 7.88 ? 112 TRP AA CD2 1 112 . A ATOM 2516 N NE1 . TRP AA 1 112 ? -5.835 -4.761 53.751 1.0 10.62 ? 112 TRP AA NE1 1 112 . A ATOM 2517 C CE2 . TRP AA 1 112 ? -5.763 -4.226 52.491 1.0 9.29 ? 112 TRP AA CE2 1 112 . A ATOM 2518 C CE3 . TRP AA 1 112 ? -6.441 -4.813 50.242 1.0 8.09 ? 112 TRP AA CE3 1 112 . A ATOM 2519 C CZ2 . TRP AA 1 112 ? -5.206 -3.014 52.065 1.0 10.3 ? 112 TRP AA CZ2 1 112 . A ATOM 2520 C CZ3 . TRP AA 1 112 ? -5.891 -3.605 49.818 1.0 8.56 ? 112 TRP AA CZ3 1 112 . A ATOM 2521 C CH2 . TRP AA 1 112 ? -5.283 -2.725 50.726 1.0 10.0 ? 112 TRP AA CH2 1 112 . A ATOM 2522 N N . ALA AA 1 113 ? -9.641 -5.042 51.101 1.0 4.46 ? 113 ALA AA N 1 113 . A ATOM 2523 C CA . ALA AA 1 113 ? -9.981 -4.065 50.086 1.0 5.42 ? 113 ALA AA CA 1 113 . A ATOM 2524 C C . ALA AA 1 113 ? -9.473 -2.697 50.536 1.0 5.71 ? 113 ALA AA C 1 113 . A ATOM 2525 O O . ALA AA 1 113 ? -9.161 -2.485 51.694 1.0 7.58 ? 113 ALA AA O 1 113 . A ATOM 2526 C CB . ALA AA 1 113 ? -11.516 -3.996 49.919 1.0 6.47 ? 113 ALA AA CB 1 113 . A ATOM 2527 N N . TYR AA 1 114 ? -9.412 -1.775 49.584 1.0 5.58 ? 114 TYR AA N 1 114 . A ATOM 2528 C CA . TYR AA 1 114 ? -9.045 -0.379 49.894 1.0 5.96 ? 114 TYR AA CA 1 114 . A ATOM 2529 C C . TYR AA 1 114 ? -10.301 0.293 50.455 1.0 7.1 ? 114 TYR AA C 1 114 . A ATOM 2530 O O . TYR AA 1 114 ? -11.421 0.028 50.015 1.0 7.19 ? 114 TYR AA O 1 114 . A ATOM 2531 C CB . TYR AA 1 114 ? -8.632 0.345 48.618 1.0 6.19 ? 114 TYR AA CB 1 114 . A ATOM 2532 C CG . TYR AA 1 114 ? -7.394 -0.219 47.997 1.0 6.37 ? 114 TYR AA CG 1 114 . A ATOM 2533 C CD1 . TYR AA 1 114 ? -6.126 0.124 48.490 1.0 7.94 ? 114 TYR AA CD1 1 114 . A ATOM 2534 C CD2 . TYR AA 1 114 ? -7.473 -1.129 46.944 1.0 6.81 ? 114 TYR AA CD2 1 114 . A ATOM 2535 C CE1 . TYR AA 1 114 ? -4.959 -0.447 47.935 1.0 8.67 ? 114 TYR AA CE1 1 114 . A ATOM 2536 C CE2 . TYR AA 1 114 ? -6.318 -1.692 46.373 1.0 7.13 ? 114 TYR AA CE2 1 114 . A ATOM 2537 C CZ . TYR AA 1 114 ? -5.071 -1.334 46.889 1.0 8.45 ? 114 TYR AA CZ 1 114 . A ATOM 2538 O OH . TYR AA 1 114 ? -3.940 -1.885 46.312 1.0 10.53 ? 114 TYR AA OH 1 114 . A ATOM 2539 N N . VAL AA 1 115 ? -10.115 1.199 51.397 1.0 7.68 ? 115 VAL AA N 1 115 . A ATOM 2540 C CA . VAL AA 1 115 ? -11.229 1.898 51.982 1.0 7.62 ? 115 VAL AA CA 1 115 . A ATOM 2541 C C . VAL AA 1 115 ? -11.608 3.176 51.263 1.0 7.56 ? 115 VAL AA C 1 115 . A ATOM 2542 O O . VAL AA 1 115 ? -10.750 4.036 50.988 1.0 8.19 ? 115 VAL AA O 1 115 . A ATOM 2543 C CB . VAL AA 1 115 ? -10.945 2.273 53.451 1.0 8.68 ? 115 VAL AA CB 1 115 . A ATOM 2544 C CG1 . VAL AA 1 115 ? -12.106 3.057 54.025 1.0 10.38 ? 115 VAL AA CG1 1 115 . A ATOM 2545 C CG2 . VAL AA 1 115 ? -10.686 0.999 54.234 1.0 9.94 ? 115 VAL AA CG2 1 115 . A ATOM 2546 N N . GLY AA 1 116 ? -12.879 3.272 50.909 1.0 6.99 ? 116 GLY AA N 1 116 . A ATOM 2547 C CA . GLY AA 1 116 ? -13.416 4.491 50.336 1.0 7.47 ? 116 GLY AA CA 1 116 . A ATOM 2548 C C . GLY AA 1 116 ? -12.978 4.854 48.950 1.0 7.94 ? 116 GLY AA C 1 116 . A ATOM 2549 O O . GLY AA 1 116 ? -13.061 6.037 48.611 1.0 10.25 ? 116 GLY AA O 1 116 . A ATOM 2550 N N . ARG AA 1 117 ? -12.584 3.879 48.138 1.0 7.31 ? 117 ARG AA N 1 117 . A ATOM 2551 C CA . ARG AA 1 117 ? -12.113 4.199 46.796 1.0 7.62 ? 117 ARG AA CA 1 117 . A ATOM 2552 C C . ARG AA 1 117 ? -13.013 3.681 45.663 1.0 7.04 ? 117 ARG AA C 1 117 . A ATOM 2553 O O . ARG AA 1 117 ? -12.557 3.477 44.533 1.0 6.32 ? 117 ARG AA O 1 117 . A ATOM 2554 C CB . ARG AA 1 117 ? -10.675 3.693 46.604 1.0 8.92 ? 117 ARG AA CB 1 117 . A ATOM 2555 C CG . ARG AA 1 117 ? -9.628 4.257 47.593 1.0 11.95 ? 117 ARG AA CG 1 117 . A ATOM 2556 C CD . ARG AA 1 117 ? -9.717 5.749 47.793 1.0 16.96 ? 117 ARG AA CD 1 117 . A ATOM 2557 N NE . ARG AA 1 117 ? -8.409 6.356 48.028 1.0 22.78 ? 117 ARG AA NE 1 117 . A ATOM 2558 C CZ . ARG AA 1 117 ? -7.536 6.575 47.045 1.0 24.13 ? 117 ARG AA CZ 1 117 . A ATOM 2559 N NH1 . ARG AA 1 117 ? -7.864 6.237 45.812 1.0 25.45 ? 117 ARG AA NH1 1 117 . A ATOM 2560 N NH2 . ARG AA 1 117 ? -6.360 7.121 47.285 1.0 26.25 ? 117 ARG AA NH2 1 117 . A ATOM 2561 N N . MET AA 1 118 ? -14.287 3.461 45.960 1.0 5.94 ? 118 MET AA N 1 118 . A ATOM 2562 C CA . MET AA 1 118 ? -15.232 3.041 44.925 1.0 6.27 ? 118 MET AA CA 1 118 . A ATOM 2563 C C . MET AA 1 118 ? -15.108 3.967 43.699 1.0 6.67 ? 118 MET AA C 1 118 . A ATOM 2564 O O . MET AA 1 118 ? -15.067 5.191 43.833 1.0 8.4 ? 118 MET AA O 1 118 . A ATOM 2565 C CB . MET AA 1 118 ? -16.650 3.107 45.515 1.0 6.4 ? 118 MET AA CB 1 118 . A ATOM 2566 C CG . MET AA 1 118 ? -17.762 2.857 44.487 1.0 6.38 ? 118 MET AA CG 1 118 . A ATOM 2567 S SD . MET AA 1 118 ? -17.694 1.226 43.667 1.0 6.81 ? 118 MET AA SD 1 118 . A ATOM 2568 C CE . MET AA 1 118 ? -17.751 0.059 45.109 1.0 7.13 ? 118 MET AA CE 1 118 . A ATOM 2569 N N . CYS AA 1 119 ? -15.045 3.341 42.528 1.0 6.41 ? 119 CYS AA N 1 119 . A ATOM 2570 C CA . CYS AA 1 119 ? -14.930 3.964 41.195 1.0 7.52 ? 119 CYS AA CA 1 119 . A ATOM 2571 C C . CYS AA 1 119 ? -13.513 4.265 40.752 1.0 7.47 ? 119 CYS AA C 1 119 . A ATOM 2572 O O . CYS AA 1 119 ? -13.306 4.448 39.572 1.0 8.72 ? 119 CYS AA O 1 119 . A ATOM 2573 C CB . CYS AA 1 119 ? -15.750 5.244 41.036 1.0 7.93 ? 119 CYS AA CB 1 119 . A ATOM 2574 S SG . CYS AA 1 119 ? -17.539 4.993 41.232 1.0 10.93 ? 119 CYS AA SG 1 119 . A ATOM 2575 N N . ASP AA 1 120 ? -12.554 4.282 41.673 1.0 7.09 ? 120 ASP AA N 1 120 . A ATOM 2576 C CA . ASP AA 1 120 ? -11.162 4.572 41.290 1.0 7.77 ? 120 ASP AA CA 1 120 . A ATOM 2577 C C . ASP AA 1 120 ? -10.651 3.453 40.392 1.0 7.56 ? 120 ASP AA C 1 120 . A ATOM 2578 O O . ASP AA 1 120 ? -10.869 2.278 40.677 1.0 7.77 ? 120 ASP AA O 1 120 . A ATOM 2579 C CB . ASP AA 1 120 ? -10.288 4.686 42.526 1.0 9.42 ? 120 ASP AA CB 1 120 . A ATOM 2580 C CG . ASP AA 1 120 ? -8.895 5.126 42.198 1.0 12.4 ? 120 ASP AA CG 1 120 . A ATOM 2581 O OD1 . ASP AA 1 120 ? -8.086 4.286 41.777 1.0 11.56 ? 120 ASP AA OD1 1 120 . A ATOM 2582 O OD2 . ASP AA 1 120 ? -8.638 6.340 42.329 1.0 15.7 ? 120 ASP AA OD2 1 120 . A ATOM 2583 N N . GLU AA 1 121 ? -9.989 3.800 39.291 1.0 8.0 ? 121 GLU AA N 1 121 . A ATOM 2584 C CA . GLU AA 1 121 ? -9.543 2.766 38.371 1.0 8.34 ? 121 GLU AA CA 1 121 . A ATOM 2585 C C . GLU AA 1 121 ? -8.640 1.694 38.973 1.0 8.4 ? 121 GLU AA C 1 121 . A ATOM 2586 O O . GLU AA 1 121 ? -8.753 0.521 38.626 1.0 9.85 ? 121 GLU AA O 1 121 . A ATOM 2587 C CB . GLU AA 1 121 ? -8.786 3.348 37.178 1.0 9.86 ? 121 GLU AA CB 1 121 . A ATOM 2588 C CG . GLU AA 1 121 ? -9.563 4.161 36.201 1.0 13.96 ? 121 GLU AA CG 1 121 . A ATOM 2589 C CD . GLU AA 1 121 ? -8.663 4.535 35.028 1.0 16.66 ? 121 GLU AA CD 1 121 . A ATOM 2590 O OE1 . GLU AA 1 121 ? -7.648 5.222 35.260 1.0 19.23 ? 121 GLU AA OE1 1 121 . A ATOM 2591 O OE2 . GLU AA 1 121 ? -8.955 4.096 33.901 1.0 21.76 ? 121 GLU AA OE2 1 121 . A ATOM 2592 N N . LYS AA 1 122 ? -7.713 2.089 39.838 1.0 8.03 ? 122 LYS AA N 1 122 . A ATOM 2593 C CA . LYS AA 1 122 ? -6.832 1.118 40.452 1.0 8.54 ? 122 LYS AA CA 1 122 . A ATOM 2594 C C . LYS AA 1 122 ? -7.307 0.647 41.828 1.0 7.68 ? 122 LYS AA C 1 122 . A ATOM 2595 O O . LYS AA 1 122 ? -6.967 -0.471 42.225 1.0 9.54 ? 122 LYS AA O 1 122 . A ATOM 2596 C CB . LYS AA 1 122 ? -5.445 1.762 40.650 1.0 10.28 ? 122 LYS AA CB 1 122 . A ATOM 2597 C CG . LYS AA 1 122 ? -4.463 0.902 41.417 1.0 15.46 ? 122 LYS AA CG 1 122 . A ATOM 2598 C CD . LYS AA 1 122 ? -3.059 1.488 41.444 1.0 17.51 ? 122 LYS AA CD 1 122 . A ATOM 2599 C CE . LYS AA 1 122 ? -2.260 0.944 42.623 1.0 19.08 ? 122 LYS AA CE 1 122 . A ATOM 2600 N NZ . LYS AA 1 122 ? -2.018 -0.459 42.505 1.0 17.94 ? 122 LYS AA NZ 1 122 . A ATOM 2601 N N . TYR AA 1 123 ? -8.072 1.473 42.546 1.0 7.26 ? 123 TYR AA N 1 123 . A ATOM 2602 C CA . TYR AA 1 123 ? -8.423 1.137 43.919 1.0 7.06 ? 123 TYR AA CA 1 123 . A ATOM 2603 C C . TYR AA 1 123 ? -9.829 0.653 44.205 1.0 5.89 ? 123 TYR AA C 1 123 . A ATOM 2604 O O . TYR AA 1 123 ? -10.154 0.354 45.361 1.0 5.85 ? 123 TYR AA O 1 123 . A ATOM 2605 C CB . TYR AA 1 123 ? -8.046 2.300 44.834 1.0 9.03 ? 123 TYR AA CB 1 123 . A ATOM 2606 C CG . TYR AA 1 123 ? -6.563 2.619 44.753 1.0 11.2 ? 123 TYR AA CG 1 123 . A ATOM 2607 C CD1 . TYR AA 1 123 ? -6.100 3.795 44.156 1.0 13.43 ? 123 TYR AA CD1 1 123 . A ATOM 2608 C CD2 . TYR AA 1 123 ? -5.627 1.733 45.280 1.0 13.26 ? 123 TYR AA CD2 1 123 . A ATOM 2609 C CE1 . TYR AA 1 123 ? -4.707 4.063 44.099 1.0 16.4 ? 123 TYR AA CE1 1 123 . A ATOM 2610 C CE2 . TYR AA 1 123 ? -4.256 1.993 45.234 1.0 15.89 ? 123 TYR AA CE2 1 123 . A ATOM 2611 C CZ . TYR AA 1 123 ? -3.809 3.156 44.642 1.0 16.43 ? 123 TYR AA CZ 1 123 . A ATOM 2612 O OH . TYR AA 1 123 ? -2.439 3.396 44.633 1.0 18.91 ? 123 TYR AA OH 1 123 . A ATOM 2613 N N . SER AA 1 124 ? -10.667 0.619 43.180 1.0 5.64 ? 124 SER AA N 1 124 . A ATOM 2614 C CA . SER AA 1 124 ? -12.019 0.058 43.360 1.0 4.77 ? 124 SER AA CA 1 124 . A ATOM 2615 C C . SER AA 1 124 ? -11.955 -1.476 43.173 1.0 4.6 ? 124 SER AA C 1 124 . A ATOM 2616 O O . SER AA 1 124 ? -12.504 -2.052 42.207 1.0 4.88 ? 124 SER AA O 1 124 . A ATOM 2617 C CB . SER AA 1 124 ? -12.967 0.649 42.340 1.0 5.45 ? 124 SER AA CB 1 124 . A ATOM 2618 O OG . SER AA 1 124 ? -14.313 0.395 42.752 1.0 5.49 ? 124 SER AA OG 1 124 . A ATOM 2619 N N . VAL AA 1 125 ? -11.233 -2.108 44.102 1.0 5.0 ? 125 VAL AA N 1 125 . A ATOM 2620 C CA . VAL AA 1 125 ? -11.054 -3.548 44.042 1.0 5.18 ? 125 VAL AA CA 1 125 . A ATOM 2621 C C . VAL AA 1 125 ? -11.007 -4.162 45.416 1.0 5.24 ? 125 VAL AA C 1 125 . A ATOM 2622 O O . VAL AA 1 125 ? -10.775 -3.467 46.420 1.0 6.27 ? 125 VAL AA O 1 125 . A ATOM 2623 C CB . VAL AA 1 125 ? -9.706 -3.953 43.331 1.0 5.41 ? 125 VAL AA CB 1 125 . A ATOM 2624 C CG1 . VAL AA 1 125 ? -9.689 -3.439 41.892 1.0 6.06 ? 125 VAL AA CG1 1 125 . A ATOM 2625 C CG2 . VAL AA 1 125 ? -8.486 -3.435 44.102 1.0 5.54 ? 125 VAL AA CG2 1 125 . A ATOM 2626 N N . ALA AA 1 126 ? -11.224 -5.483 45.430 1.0 5.06 ? 126 ALA AA N 1 126 . A ATOM 2627 C CA . ALA AA 1 126 ? -11.096 -6.294 46.628 1.0 4.98 ? 126 ALA AA CA 1 126 . A ATOM 2628 C C . ALA AA 1 126 ? -10.550 -7.655 46.215 1.0 4.25 ? 126 ALA AA C 1 126 . A ATOM 2629 O O . ALA AA 1 126 ? -10.669 -8.046 45.046 1.0 4.46 ? 126 ALA AA O 1 126 . A ATOM 2630 C CB . ALA AA 1 126 ? -12.448 -6.504 47.308 1.0 5.83 ? 126 ALA AA CB 1 126 . A ATOM 2631 N N . VAL AA 1 127 ? -9.939 -8.356 47.172 1.0 4.01 ? 127 VAL AA N 1 127 . A ATOM 2632 C CA . VAL AA 1 127 ? -9.513 -9.734 46.949 1.0 4.56 ? 127 VAL AA CA 1 127 . A ATOM 2633 C C . VAL AA 1 127 ? -10.236 -10.549 48.013 1.0 3.98 ? 127 VAL AA C 1 127 . A ATOM 2634 O O . VAL AA 1 127 ? -10.334 -10.106 49.177 1.0 4.81 ? 127 VAL AA O 1 127 . A ATOM 2635 C CB . VAL AA 1 127 ? -7.971 -9.906 46.988 1.0 5.23 ? 127 VAL AA CB 1 127 . A ATOM 2636 C CG1 . VAL AA 1 127 ? -7.339 -9.020 45.933 1.0 6.6 ? 127 VAL AA CG1 1 127 . A ATOM 2637 C CG2 . VAL AA 1 127 ? -7.399 -9.572 48.367 1.0 6.69 ? 127 VAL AA CG2 1 127 . A ATOM 2638 N N . VAL AA 1 128 ? -10.768 -11.705 47.628 1.0 4.5 ? 128 VAL AA N 1 128 . A ATOM 2639 C CA . VAL AA 1 128 ? -11.566 -12.500 48.547 1.0 4.44 ? 128 VAL AA CA 1 128 . A ATOM 2640 C C . VAL AA 1 128 ? -11.237 -13.974 48.395 1.0 4.46 ? 128 VAL AA C 1 128 . A ATOM 2641 O O . VAL AA 1 128 ? -11.145 -14.489 47.282 1.0 4.82 ? 128 VAL AA O 1 128 . A ATOM 2642 C CB . VAL AA 1 128 ? -13.092 -12.277 48.243 1.0 4.82 ? 128 VAL AA CB 1 128 . A ATOM 2643 C CG1 . VAL AA 1 128 ? -13.964 -13.281 49.075 1.0 5.83 ? 128 VAL AA CG1 1 128 . A ATOM 2644 C CG2 . VAL AA 1 128 ? -13.486 -10.835 48.553 1.0 6.57 ? 128 VAL AA CG2 1 128 . A ATOM 2645 N N . LYS AA 1 129 ? -11.042 -14.646 49.522 1.0 4.74 ? 129 LYS AA N 1 129 . A ATOM 2646 C CA . LYS AA 1 129 ? -10.755 -16.046 49.526 1.0 4.63 ? 129 LYS AA CA 1 129 . A ATOM 2647 C C . LYS AA 1 129 ? -12.062 -16.821 49.491 1.0 4.96 ? 129 LYS AA C 1 129 . A ATOM 2648 O O . LYS AA 1 129 ? -12.986 -16.475 50.217 1.0 6.42 ? 129 LYS AA O 1 129 . A ATOM 2649 C CB . LYS AA 1 129 ? -9.999 -16.388 50.817 1.0 5.03 ? 129 LYS AA CB 1 129 . A ATOM 2650 C CG . LYS AA 1 129 ? -9.563 -17.851 50.879 1.0 6.18 ? 129 LYS AA CG 1 129 . A ATOM 2651 C CD . LYS AA 1 129 ? -8.856 -18.165 52.188 1.0 7.14 ? 129 LYS AA CD 1 129 . A ATOM 2652 C CE . LYS AA 1 129 ? -8.344 -19.579 52.211 1.0 8.98 ? 129 LYS AA CE 1 129 . A ATOM 2653 N NZ . LYS AA 1 129 ? -7.650 -19.907 53.510 1.0 10.92 ? 129 LYS AA NZ 1 129 . A ATOM 2654 N N . ASP AA 1 130 ? -12.129 -17.859 48.648 1.0 4.81 ? 130 ASP AA N 1 130 . A ATOM 2655 C CA . ASP AA 1 130 ? -13.322 -18.733 48.580 1.0 5.84 ? 130 ASP AA CA 1 130 . A ATOM 2656 C C . ASP AA 1 130 ? -13.143 -19.680 49.781 1.0 6.47 ? 130 ASP AA C 1 130 . A ATOM 2657 O O . ASP AA 1 130 ? -12.807 -20.859 49.640 1.0 9.17 ? 130 ASP AA O 1 130 . A ATOM 2658 C CB . ASP AA 1 130 ? -13.266 -19.495 47.253 1.0 7.07 ? 130 ASP AA CB 1 130 . A ATOM 2659 C CG . ASP AA 1 130 ? -14.518 -20.278 46.993 1.0 8.05 ? 130 ASP AA CG 1 130 . A ATOM 2660 O OD1 . ASP AA 1 130 ? -14.377 -21.472 46.666 1.0 10.36 ? 130 ASP AA OD1 1 130 . A ATOM 2661 O OD2 . ASP AA 1 130 ? -15.621 -19.713 47.100 1.0 8.93 ? 130 ASP AA OD2 1 130 . A ATOM 2662 N N . HIS AA 1 131 ? -13.375 -19.126 50.973 1.0 6.28 ? 131 HIS AA N 1 131 . A ATOM 2663 C CA . HIS AA 1 131 ? -13.050 -19.790 52.247 1.0 6.19 ? 131 HIS AA CA 1 131 . A ATOM 2664 C C . HIS AA 1 131 ? -14.072 -20.672 52.925 1.0 7.27 ? 131 HIS AA C 1 131 . A ATOM 2665 O O . HIS AA 1 131 ? -13.862 -21.087 54.087 1.0 8.77 ? 131 HIS AA O 1 131 . A ATOM 2666 C CB . HIS AA 1 131 ? -12.594 -18.725 53.246 1.0 6.37 ? 131 HIS AA CB 1 131 . A ATOM 2667 C CG . HIS AA 1 131 ? -13.688 -17.800 53.675 1.0 6.11 ? 131 HIS AA CG 1 131 . A ATOM 2668 N ND1 . HIS AA 1 131 ? -14.508 -18.074 54.757 1.0 6.37 ? 131 HIS AA ND1 1 131 . A ATOM 2669 C CD2 . HIS AA 1 131 ? -14.103 -16.617 53.158 1.0 6.63 ? 131 HIS AA CD2 1 131 . A ATOM 2670 C CE1 . HIS AA 1 131 ? -15.386 -17.081 54.873 1.0 5.83 ? 131 HIS AA CE1 1 131 . A ATOM 2671 N NE2 . HIS AA 1 131 ? -15.157 -16.188 53.917 1.0 7.16 ? 131 HIS AA NE2 1 131 . A ATOM 2672 N N . SER AA 1 132 ? -15.157 -20.969 52.230 1.0 6.56 ? 132 SER AA N 1 132 . A ATOM 2673 C CA . SER AA 1 132 ? -16.206 -21.828 52.784 1.0 7.7 ? 132 SER AA CA 1 132 . A ATOM 2674 C C . SER AA 1 132 ? -16.972 -22.464 51.642 1.0 8.74 ? 132 SER AA C 1 132 . A ATOM 2675 O O . SER AA 1 132 ? -17.092 -21.881 50.575 1.0 8.52 ? 132 SER AA O 1 132 . A ATOM 2676 C CB . SER AA 1 132 ? -17.194 -20.978 53.580 1.0 7.12 ? 132 SER AA CB 1 132 . A ATOM 2677 O OG . SER AA 1 132 ? -18.286 -21.756 54.107 1.0 8.56 ? 132 SER AA OG 1 132 . A ATOM 2678 N N . SER AA 1 133 ? -17.514 -23.653 51.879 1.0 10.34 ? 133 SER AA N 1 133 . A ATOM 2679 C CA . SER AA 1 133 ? -18.336 -24.280 50.872 1.0 11.16 ? 133 SER AA CA 1 133 . A ATOM 2680 C C . SER AA 1 133 ? -19.672 -23.532 50.876 1.0 10.53 ? 133 SER AA C 1 133 . A ATOM 2681 O O . SER AA 1 133 ? -20.379 -23.592 49.873 1.0 13.24 ? 133 SER AA O 1 133 . A ATOM 2682 C CB . SER AA 1 133 ? -18.555 -25.767 51.204 1.0 12.63 ? 133 SER AA CB 1 133 . A ATOM 2683 O OG . SER AA 1 133 ? -19.086 -25.927 52.489 1.0 14.47 ? 133 SER AA OG 1 133 . A ATOM 2684 N N . LYS AA 1 134 ? -20.014 -22.834 51.965 1.0 9.66 ? 134 LYS AA N 1 134 . A ATOM 2685 C CA . LYS AA 1 134 ? -21.290 -22.094 52.054 1.0 9.45 ? 134 LYS AA CA 1 134 . A ATOM 2686 C C . LYS AA 1 134 ? -21.173 -20.788 51.279 1.0 7.53 ? 134 LYS AA C 1 134 . A ATOM 2687 O O . LYS AA 1 134 ? -20.418 -19.876 51.659 1.0 8.16 ? 134 LYS AA O 1 134 . A ATOM 2688 C CB . LYS AA 1 134 ? -21.618 -21.773 53.507 1.0 11.24 ? 134 LYS AA CB 1 134 . A ATOM 2689 C CG . LYS AA 1 134 ? -21.794 -23.010 54.410 1.0 13.1 ? 134 LYS AA CG 1 134 . A ATOM 2690 C CD . LYS AA 1 134 ? -22.087 -22.594 55.827 1.0 16.4 ? 134 LYS AA CD 1 134 . A ATOM 2691 C CE . LYS AA 1 134 ? -22.276 -23.805 56.716 1.0 18.96 ? 134 LYS AA CE 1 134 . A ATOM 2692 N NZ . LYS AA 1 134 ? -22.461 -23.389 58.124 1.0 22.66 ? 134 LYS AA NZ 1 134 . A ATOM 2693 N N . VAL AA 1 135 ? -21.911 -20.716 50.189 1.0 6.6 ? 135 VAL AA N 1 135 . A ATOM 2694 C CA . VAL AA 1 135 ? -21.925 -19.535 49.336 1.0 6.11 ? 135 VAL AA CA 1 135 . A ATOM 2695 C C . VAL AA 1 135 ? -22.154 -18.259 50.133 1.0 5.61 ? 135 VAL AA C 1 135 . A ATOM 2696 O O . VAL AA 1 135 ? -21.459 -17.256 49.899 1.0 5.47 ? 135 VAL AA O 1 135 . A ATOM 2697 C CB . VAL AA 1 135 ? -23.020 -19.672 48.257 1.0 7.68 ? 135 VAL AA CB 1 135 . A ATOM 2698 C CG1 . VAL AA 1 135 ? -23.205 -18.384 47.475 1.0 8.44 ? 135 VAL AA CG1 1 135 . A ATOM 2699 C CG2 . VAL AA 1 135 ? -22.656 -20.812 47.319 1.0 10.37 ? 135 VAL AA CG2 1 135 . A ATOM 2700 N N . PHE AA 1 136 ? -23.070 -18.285 51.089 1.0 5.27 ? 136 PHE AA N 1 136 . A ATOM 2701 C CA . PHE AA 1 136 ? -23.321 -17.060 51.814 1.0 4.96 ? 136 PHE AA CA 1 136 . A ATOM 2702 C C . PHE AA 1 136 ? -22.098 -16.570 52.577 1.0 5.3 ? 136 PHE AA C 1 136 . A ATOM 2703 O O . PHE AA 1 136 ? -21.882 -15.350 52.676 1.0 4.68 ? 136 PHE AA O 1 136 . A ATOM 2704 C CB . PHE AA 1 136 ? -24.505 -17.214 52.784 1.0 5.85 ? 136 PHE AA CB 1 136 . A ATOM 2705 C CG . PHE AA 1 136 ? -24.785 -15.971 53.583 1.0 5.19 ? 136 PHE AA CG 1 136 . A ATOM 2706 C CD1 . PHE AA 1 136 ? -25.494 -14.936 53.036 1.0 6.73 ? 136 PHE AA CD1 1 136 . A ATOM 2707 C CD2 . PHE AA 1 136 ? -24.285 -15.823 54.850 1.0 6.32 ? 136 PHE AA CD2 1 136 . A ATOM 2708 C CE1 . PHE AA 1 136 ? -25.708 -13.768 53.752 1.0 7.99 ? 136 PHE AA CE1 1 136 . A ATOM 2709 C CE2 . PHE AA 1 136 ? -24.493 -14.664 55.564 1.0 7.02 ? 136 PHE AA CE2 1 136 . A ATOM 2710 C CZ . PHE AA 1 136 ? -25.208 -13.638 55.004 1.0 7.38 ? 136 PHE AA CZ 1 136 . A ATOM 2711 N N . MET AA 1 137 ? -21.313 -17.478 53.157 1.0 4.57 ? 137 MET AA N 1 137 . A ATOM 2712 C CA . MET AA 1 137 ? -20.132 -17.029 53.891 1.0 5.65 ? 137 MET AA CA 1 137 . A ATOM 2713 C C . MET AA 1 137 ? -19.127 -16.318 53.006 1.0 4.9 ? 137 MET AA C 1 137 . A ATOM 2714 O O . MET AA 1 137 ? -18.487 -15.365 53.445 1.0 6.16 ? 137 MET AA O 1 137 . A ATOM 2715 C CB . MET AA 1 137 ? -19.489 -18.202 54.623 1.0 8.2 ? 137 MET AA CB 1 137 . A ATOM 2716 C CG . MET AA 1 137 ? -20.446 -18.728 55.709 1.0 10.1 ? 137 MET AA CG 1 137 . A ATOM 2717 S SD . MET AA 1 137 ? -20.844 -17.473 56.998 1.0 19.06 ? 137 MET AA SD 1 137 . A ATOM 2718 C CE . MET AA 1 137 ? -19.542 -17.765 57.611 1.0 10.45 ? 137 MET AA CE 1 137 . A ATOM 2719 N N . VAL AA 1 138 ? -18.985 -16.756 51.757 1.0 4.26 ? 138 VAL AA N 1 138 . A ATOM 2720 C CA . VAL AA 1 138 ? -18.086 -16.076 50.845 1.0 3.99 ? 138 VAL AA CA 1 138 . A ATOM 2721 C C . VAL AA 1 138 ? -18.774 -14.771 50.371 1.0 3.93 ? 138 VAL AA C 1 138 . A ATOM 2722 O O . VAL AA 1 138 ? -18.134 -13.719 50.308 1.0 4.14 ? 138 VAL AA O 1 138 . A ATOM 2723 C CB . VAL AA 1 138 ? -17.699 -16.987 49.672 1.0 4.5 ? 138 VAL AA CB 1 138 . A ATOM 2724 C CG1 . VAL AA 1 138 ? -16.771 -16.263 48.742 1.0 6.21 ? 138 VAL AA CG1 1 138 . A ATOM 2725 C CG2 . VAL AA 1 138 ? -17.019 -18.261 50.223 1.0 6.34 ? 138 VAL AA CG2 1 138 . A ATOM 2726 N N . ALA AA 1 139 ? -20.072 -14.818 50.054 1.0 3.84 ? 139 ALA AA N 1 139 . A ATOM 2727 C CA . ALA AA 1 139 ? -20.762 -13.597 49.584 1.0 3.63 ? 139 ALA AA CA 1 139 . A ATOM 2728 C C . ALA AA 1 139 ? -20.744 -12.501 50.642 1.0 3.3 ? 139 ALA AA C 1 139 . A ATOM 2729 O O . ALA AA 1 139 ? -20.621 -11.331 50.288 1.0 4.05 ? 139 ALA AA O 1 139 . A ATOM 2730 C CB . ALA AA 1 139 ? -22.195 -13.934 49.222 1.0 4.54 ? 139 ALA AA CB 1 139 . A ATOM 2731 N N . VAL AA 1 140 ? -20.906 -12.862 51.918 1.0 2.94 ? 140 VAL AA N 1 140 . A ATOM 2732 C CA . VAL AA 1 140 ? -20.892 -11.802 52.938 1.0 3.13 ? 140 VAL AA CA 1 140 . A ATOM 2733 C C . VAL AA 1 140 ? -19.466 -11.213 53.081 1.0 3.29 ? 140 VAL AA C 1 140 . A ATOM 2734 O O . VAL AA 1 140 ? -19.299 -10.034 53.438 1.0 3.75 ? 140 VAL AA O 1 140 . A ATOM 2735 C CB . VAL AA 1 140 ? -21.515 -12.301 54.285 1.0 3.4 ? 140 VAL AA CB 1 140 . A ATOM 2736 C CG1 . VAL AA 1 140 ? -20.585 -13.221 55.028 1.0 4.46 ? 140 VAL AA CG1 1 140 . A ATOM 2737 C CG2 . VAL AA 1 140 ? -21.933 -11.086 55.132 1.0 5.0 ? 140 VAL AA CG2 1 140 . A ATOM 2738 N N . THR AA 1 141 ? -18.453 -12.019 52.752 1.0 2.77 ? 141 THR AA N 1 141 . A ATOM 2739 C CA . THR AA 1 141 ? -17.076 -11.511 52.760 1.0 3.02 ? 141 THR AA CA 1 141 . A ATOM 2740 C C . THR AA 1 141 ? -16.912 -10.528 51.590 1.0 2.88 ? 141 THR AA C 1 141 . A ATOM 2741 O O . THR AA 1 141 ? -16.330 -9.452 51.779 1.0 3.15 ? 141 THR AA O 1 141 . A ATOM 2742 C CB . THR AA 1 141 ? -16.097 -12.662 52.639 1.0 2.98 ? 141 THR AA CB 1 141 . A ATOM 2743 O OG1 . THR AA 1 141 ? -16.303 -13.556 53.754 1.0 5.56 ? 141 THR AA OG1 1 141 . A ATOM 2744 C CG2 . THR AA 1 141 ? -14.680 -12.143 52.690 1.0 4.28 ? 141 THR AA CG2 1 141 . A ATOM 2745 N N . MET AA 1 142 ? -17.440 -10.891 50.414 1.0 2.99 ? 142 MET AA N 1 142 . A ATOM 2746 C CA . MET AA 1 142 ? -17.380 -9.968 49.270 1.0 3.05 ? 142 MET AA CA 1 142 . A ATOM 2747 C C . MET AA 1 142 ? -18.117 -8.649 49.603 1.0 3.63 ? 142 MET AA C 1 142 . A ATOM 2748 O O . MET AA 1 142 ? -17.662 -7.552 49.257 1.0 3.89 ? 142 MET AA O 1 142 . A ATOM 2749 C CB . MET AA 1 142 ? -18.052 -10.591 48.027 1.0 4.01 ? 142 MET AA CB 1 142 . A ATOM 2750 C CG . MET AA 1 142 ? -17.295 -11.830 47.570 1.0 3.81 ? 142 MET AA CG 1 142 . A ATOM 2751 S SD . MET AA 1 142 ? -18.170 -12.795 46.325 1.0 7.02 ? 142 MET AA SD 1 142 . A ATOM 2752 C CE . MET AA 1 142 ? -17.848 -11.913 44.956 1.0 9.81 ? 142 MET AA CE 1 142 . A ATOM 2753 N N . THR AA 1 143 ? -19.242 -8.757 50.310 1.0 2.77 ? 143 THR AA N 1 143 . A ATOM 2754 C CA . THR AA 1 143 ? -20.056 -7.598 50.680 1.0 3.41 ? 143 THR AA CA 1 143 . A ATOM 2755 C C . THR AA 1 143 ? -19.344 -6.742 51.738 1.0 3.3 ? 143 THR AA C 1 143 . A ATOM 2756 O O . THR AA 1 143 ? -19.395 -5.512 51.675 1.0 4.01 ? 143 THR AA O 1 143 . A ATOM 2757 C CB . THR AA 1 143 ? -21.447 -8.054 51.164 1.0 4.02 ? 143 THR AA CB 1 143 . A ATOM 2758 O OG1 . THR AA 1 143 ? -22.056 -8.838 50.123 1.0 3.89 ? 143 THR AA OG1 1 143 . A ATOM 2759 C CG2 . THR AA 1 143 ? -22.362 -6.854 51.384 1.0 4.25 ? 143 THR AA CG2 1 143 . A ATOM 2760 N N . HIS AA 1 144 ? -18.675 -7.385 52.707 1.0 3.19 ? 144 HIS AA N 1 144 . A ATOM 2761 C CA . HIS AA 1 144 ? -17.892 -6.673 53.727 1.0 3.3 ? 144 HIS AA CA 1 144 . A ATOM 2762 C C . HIS AA 1 144 ? -16.770 -5.854 53.016 1.0 2.93 ? 144 HIS AA C 1 144 . A ATOM 2763 O O . HIS AA 1 144 ? -16.562 -4.666 53.318 1.0 3.59 ? 144 HIS AA O 1 144 . A ATOM 2764 C CB . HIS AA 1 144 ? -17.279 -7.736 54.656 1.0 3.96 ? 144 HIS AA CB 1 144 . A ATOM 2765 C CG . HIS AA 1 144 ? -16.368 -7.186 55.710 1.0 3.12 ? 144 HIS AA CG 1 144 . A ATOM 2766 N ND1 . HIS AA 1 144 ? -16.758 -7.015 57.015 1.0 3.0 ? 144 HIS AA ND1 1 144 . A ATOM 2767 C CD2 . HIS AA 1 144 ? -15.071 -6.796 55.647 1.0 3.09 ? 144 HIS AA CD2 1 144 . A ATOM 2768 C CE1 . HIS AA 1 144 ? -15.724 -6.564 57.725 1.0 4.24 ? 144 HIS AA CE1 1 144 . A ATOM 2769 N NE2 . HIS AA 1 144 ? -14.683 -6.411 56.911 1.0 3.29 ? 144 HIS AA NE2 1 144 . A ATOM 2770 N N . GLU AA 1 145 ? -16.055 -6.470 52.061 1.0 2.88 ? 145 GLU AA N 1 145 . A ATOM 2771 C CA . GLU AA 1 145 ? -14.998 -5.723 51.351 1.0 3.56 ? 145 GLU AA CA 1 145 . A ATOM 2772 C C . GLU AA 1 145 ? -15.591 -4.596 50.484 1.0 3.91 ? 145 GLU AA C 1 145 . A ATOM 2773 O O . GLU AA 1 145 ? -15.017 -3.509 50.378 1.0 4.37 ? 145 GLU AA O 1 145 . A ATOM 2774 C CB . GLU AA 1 145 ? -14.115 -6.676 50.510 1.0 4.91 ? 145 GLU AA CB 1 145 . A ATOM 2775 C CG . GLU AA 1 145 ? -13.551 -7.845 51.334 1.0 4.59 ? 145 GLU AA CG 1 145 . A ATOM 2776 C CD . GLU AA 1 145 ? -12.796 -7.433 52.582 1.0 5.31 ? 145 GLU AA CD 1 145 . A ATOM 2777 O OE1 . GLU AA 1 145 ? -12.667 -8.320 53.488 1.0 5.01 ? 145 GLU AA OE1 1 145 . A ATOM 2778 O OE2 . GLU AA 1 145 ? -12.331 -6.272 52.694 1.0 5.37 ? 145 GLU AA OE2 1 145 . A ATOM 2779 N N . LEU AA 1 146 ? -16.738 -4.862 49.846 1.0 3.35 ? 146 LEU AA N 1 146 . A ATOM 2780 C CA . LEU AA 1 146 ? -17.427 -3.821 49.086 1.0 4.1 ? 146 LEU AA CA 1 146 . A ATOM 2781 C C . LEU AA 1 146 ? -17.768 -2.674 50.045 1.0 4.21 ? 146 LEU AA C 1 146 . A ATOM 2782 O O . LEU AA 1 146 ? -17.598 -1.480 49.690 1.0 4.75 ? 146 LEU AA O 1 146 . A ATOM 2783 C CB . LEU AA 1 146 ? -18.703 -4.395 48.474 1.0 5.36 ? 146 LEU AA CB 1 146 . A ATOM 2784 C CG . LEU AA 1 146 ? -19.502 -3.439 47.582 1.0 5.42 ? 146 LEU AA CG 1 146 . A ATOM 2785 C CD1 . LEU AA 1 146 ? -18.722 -3.164 46.279 1.0 7.85 ? 146 LEU AA CD1 1 146 . A ATOM 2786 C CD2 . LEU AA 1 146 ? -20.840 -4.095 47.199 1.0 6.63 ? 146 LEU AA CD2 1 146 . A ATOM 2787 N N . GLY AA 1 147 ? -18.284 -3.000 51.231 1.0 3.64 ? 147 GLY AA N 1 147 . A ATOM 2788 C CA . GLY AA 1 147 ? -18.609 -1.969 52.227 1.0 4.99 ? 147 GLY AA CA 1 147 . A ATOM 2789 C C . GLY AA 1 147 ? -17.390 -1.131 52.545 1.0 3.89 ? 147 GLY AA C 1 147 . A ATOM 2790 O O . GLY AA 1 147 ? -17.482 0.106 52.611 1.0 4.58 ? 147 GLY AA O 1 147 . A ATOM 2791 N N . HIS AA 1 148 ? -16.241 -1.774 52.776 1.0 4.18 ? 148 HIS AA N 1 148 . A ATOM 2792 C CA . HIS AA 1 148 ? -15.036 -0.968 52.989 1.0 4.2 ? 148 HIS AA CA 1 148 . A ATOM 2793 C C . HIS AA 1 148 ? -14.788 -0.024 51.808 1.0 5.35 ? 148 HIS AA C 1 148 . A ATOM 2794 O O . HIS AA 1 148 ? -14.451 1.138 52.009 1.0 5.72 ? 148 HIS AA O 1 148 . A ATOM 2795 C CB . HIS AA 1 148 ? -13.776 -1.839 53.124 1.0 4.86 ? 148 HIS AA CB 1 148 . A ATOM 2796 C CG . HIS AA 1 148 ? -13.580 -2.450 54.473 1.0 5.11 ? 148 HIS AA CG 1 148 . A ATOM 2797 N ND1 . HIS AA 1 148 ? -13.579 -1.706 55.636 1.0 4.94 ? 148 HIS AA ND1 1 148 . A ATOM 2798 C CD2 . HIS AA 1 148 ? -13.254 -3.714 54.837 1.0 4.57 ? 148 HIS AA CD2 1 148 . A ATOM 2799 C CE1 . HIS AA 1 148 ? -13.251 -2.488 56.654 1.0 4.44 ? 148 HIS AA CE1 1 148 . A ATOM 2800 N NE2 . HIS AA 1 148 ? -13.048 -3.714 56.200 1.0 4.77 ? 148 HIS AA NE2 1 148 . A ATOM 2801 N N . ASN AA 1 149 ? -14.942 -0.528 50.583 1.0 4.57 ? 149 ASN AA N 1 149 . A ATOM 2802 C CA . ASN AA 1 149 ? -14.667 0.307 49.405 1.0 4.24 ? 149 ASN AA CA 1 149 . A ATOM 2803 C C . ASN AA 1 149 ? -15.669 1.471 49.300 1.0 5.19 ? 149 ASN AA C 1 149 . A ATOM 2804 O O . ASN AA 1 149 ? -15.372 2.485 48.642 1.0 5.64 ? 149 ASN AA O 1 149 . A ATOM 2805 C CB . ASN AA 1 149 ? -14.627 -0.591 48.149 1.0 5.47 ? 149 ASN AA CB 1 149 . A ATOM 2806 C CG . ASN AA 1 149 ? -13.748 -0.034 47.035 1.0 5.51 ? 149 ASN AA CG 1 149 . A ATOM 2807 O OD1 . ASN AA 1 149 ? -14.200 0.120 45.890 1.0 5.0 ? 149 ASN AA OD1 1 149 . A ATOM 2808 N ND2 . ASN AA 1 149 ? -12.480 0.247 47.346 1.0 6.09 ? 149 ASN AA ND2 1 149 . A ATOM 2809 N N . LEU AA 1 150 ? -16.844 1.330 49.947 1.0 4.7 ? 150 LEU AA N 1 150 . A ATOM 2810 C CA . LEU AA 1 150 ? -17.873 2.390 50.035 1.0 5.84 ? 150 LEU AA CA 1 150 . A ATOM 2811 C C . LEU AA 1 150 ? -17.671 3.278 51.262 1.0 6.31 ? 150 LEU AA C 1 150 . A ATOM 2812 O O . LEU AA 1 150 ? -18.607 3.978 51.667 1.0 7.03 ? 150 LEU AA O 1 150 . A ATOM 2813 C CB . LEU AA 1 150 ? -19.287 1.785 50.038 1.0 6.01 ? 150 LEU AA CB 1 150 . A ATOM 2814 C CG . LEU AA 1 150 ? -19.655 1.117 48.717 1.0 6.15 ? 150 LEU AA CG 1 150 . A ATOM 2815 C CD1 . LEU AA 1 150 ? -20.905 0.247 48.892 1.0 7.38 ? 150 LEU AA CD1 1 150 . A ATOM 2816 C CD2 . LEU AA 1 150 ? -19.961 2.175 47.616 1.0 6.82 ? 150 LEU AA CD2 1 150 . A ATOM 2817 N N . GLY AA 1 151 ? -16.472 3.229 51.866 1.0 5.66 ? 151 GLY AA N 1 151 . A ATOM 2818 C CA . GLY AA 1 151 ? -16.147 4.104 52.994 1.0 6.98 ? 151 GLY AA CA 1 151 . A ATOM 2819 C C . GLY AA 1 151 ? -16.495 3.613 54.380 1.0 6.89 ? 151 GLY AA C 1 151 . A ATOM 2820 O O . GLY AA 1 151 ? -16.456 4.387 55.330 1.0 8.28 ? 151 GLY AA O 1 151 . A ATOM 2821 N N . MET AA 1 152 ? -16.849 2.348 54.529 1.0 5.97 ? 152 MET AA N 1 152 . A ATOM 2822 C CA . MET AA 1 152 ? -17.197 1.833 55.846 1.0 5.86 ? 152 MET AA CA 1 152 . A ATOM 2823 C C . MET AA 1 152 ? -16.000 1.268 56.570 1.0 6.18 ? 152 MET AA C 1 152 . A ATOM 2824 O O . MET AA 1 152 ? -15.134 0.638 55.949 1.0 6.58 ? 152 MET AA O 1 152 . A ATOM 2825 C CB . MET AA 1 152 ? -18.225 0.694 55.715 1.0 5.6 ? 152 MET AA CB 1 152 . A ATOM 2826 C CG . MET AA 1 152 ? -19.510 1.106 55.022 1.0 5.63 ? 152 MET AA CG 1 152 . A ATOM 2827 S SD . MET AA 1 152 ? -20.550 -0.374 54.779 1.0 5.04 ? 152 MET AA SD 1 152 . A ATOM 2828 C CE . MET AA 1 152 ? -21.909 0.358 53.859 1.0 7.08 ? 152 MET AA CE 1 152 . A ATOM 2829 N N . GLU AA 1 153 ? -15.930 1.550 57.874 1.0 5.9 ? 153 GLU AA N 1 153 . A ATOM 2830 C CA . GLU AA 1 153 ? -14.948 0.920 58.755 1.0 6.02 ? 153 GLU AA CA 1 153 . A ATOM 2831 C C . GLU AA 1 153 ? -15.700 -0.159 59.523 1.0 5.77 ? 153 GLU AA C 1 153 . A ATOM 2832 O O . GLU AA 1 153 ? -16.907 -0.339 59.357 1.0 6.57 ? 153 GLU AA O 1 153 . A ATOM 2833 C CB . GLU AA 1 153 ? -14.351 1.928 59.748 1.0 7.64 ? 153 GLU AA CB 1 153 . A ATOM 2834 C CG . GLU AA 1 153 ? -13.620 3.101 59.070 1.0 10.83 ? 153 GLU AA CG 1 153 . A ATOM 2835 C CD . GLU AA 1 153 ? -12.321 2.700 58.328 1.0 13.4 ? 153 GLU AA CD 1 153 . A ATOM 2836 O OE1 . GLU AA 1 153 ? -11.820 1.570 58.479 1.0 16.93 ? 153 GLU AA OE1 1 153 . A ATOM 2837 O OE2 . GLU AA 1 153 ? -11.774 3.532 57.573 1.0 18.13 ? 153 GLU AA OE2 1 153 . A ATOM 2838 N N . HIS AA 1 154 ? -14.990 -0.912 60.346 1.0 5.08 ? 154 HIS AA N 1 154 . A ATOM 2839 C CA . HIS AA 1 154 ? -15.656 -1.930 61.140 1.0 3.98 ? 154 HIS AA CA 1 154 . A ATOM 2840 C C . HIS AA 1 154 ? -16.624 -1.345 62.132 1.0 5.54 ? 154 HIS AA C 1 154 . A ATOM 2841 O O . HIS AA 1 154 ? -16.433 -0.211 62.634 1.0 7.3 ? 154 HIS AA O 1 154 . A ATOM 2842 C CB . HIS AA 1 154 ? -14.630 -2.766 61.930 1.0 5.18 ? 154 HIS AA CB 1 154 . A ATOM 2843 C CG . HIS AA 1 154 ? -13.803 -3.642 61.051 1.0 5.36 ? 154 HIS AA CG 1 154 . A ATOM 2844 N ND1 . HIS AA 1 154 ? -12.589 -4.165 61.437 1.0 6.58 ? 154 HIS AA ND1 1 154 . A ATOM 2845 C CD2 . HIS AA 1 154 ? -14.025 -4.091 59.789 1.0 5.25 ? 154 HIS AA CD2 1 154 . A ATOM 2846 C CE1 . HIS AA 1 154 ? -12.091 -4.895 60.450 1.0 5.73 ? 154 HIS AA CE1 1 154 . A ATOM 2847 N NE2 . HIS AA 1 154 ? -12.937 -4.862 59.429 1.0 5.69 ? 154 HIS AA NE2 1 154 . A ATOM 2848 N N . ASP AA 1 155 ? -17.654 -2.120 62.436 1.0 4.35 ? 155 ASP AA N 1 155 . A ATOM 2849 C CA . ASP AA 1 155 ? -18.624 -1.733 63.456 1.0 4.65 ? 155 ASP AA CA 1 155 . A ATOM 2850 C C . ASP AA 1 155 ? -17.869 -1.546 64.781 1.0 5.2 ? 155 ASP AA C 1 155 . A ATOM 2851 O O . ASP AA 1 155 ? -16.944 -2.265 65.100 1.0 5.75 ? 155 ASP AA O 1 155 . A ATOM 2852 C CB . ASP AA 1 155 ? -19.707 -2.812 63.575 1.0 4.82 ? 155 ASP AA CB 1 155 . A ATOM 2853 C CG . ASP AA 1 155 ? -20.625 -2.826 62.376 1.0 4.54 ? 155 ASP AA CG 1 155 . A ATOM 2854 O OD1 . ASP AA 1 155 ? -20.757 -1.776 61.709 1.0 5.57 ? 155 ASP AA OD1 1 155 . A ATOM 2855 O OD2 . ASP AA 1 155 ? -21.219 -3.898 62.137 1.0 5.44 ? 155 ASP AA OD2 1 155 . A ATOM 2856 N N . ASP AA 1 156 ? -18.328 -0.575 65.568 1.0 4.38 ? 156 ASP AA N 1 156 . A ATOM 2857 C CA . ASP AA 1 156 ? -17.706 -0.187 66.848 1.0 4.93 ? 156 ASP AA CA 1 156 . A ATOM 2858 C C . ASP AA 1 156 ? -18.846 -0.047 67.854 1.0 5.28 ? 156 ASP AA C 1 156 . A ATOM 2859 O O . ASP AA 1 156 ? -19.828 0.652 67.565 1.0 4.92 ? 156 ASP AA O 1 156 . A ATOM 2860 C CB . ASP AA 1 156 ? -16.974 1.140 66.610 1.0 6.52 ? 156 ASP AA CB 1 156 . A ATOM 2861 C CG . ASP AA 1 156 ? -16.334 1.724 67.894 1.0 8.44 ? 156 ASP AA CG 1 156 . A ATOM 2862 O OD1 . ASP AA 1 156 ? -17.069 2.169 68.776 1.0 9.92 ? 156 ASP AA OD1 1 156 . A ATOM 2863 O OD2 . ASP AA 1 156 ? -15.101 1.786 68.032 1.0 8.39 ? 156 ASP AA OD2 1 156 . A ATOM 2864 N N . LYS AA 1 157 ? -18.724 -0.748 68.984 1.0 5.6 ? 157 LYS AA N 1 157 . A ATOM 2865 C CA . LYS AA 1 157 ? -19.771 -0.759 70.006 1.0 6.04 ? 157 LYS AA CA 1 157 . A ATOM 2866 C C . LYS AA 1 157 ? -20.155 0.601 70.562 1.0 6.1 ? 157 LYS AA C 1 157 . A ATOM 2867 O O . LYS AA 1 157 ? -21.283 0.781 71.007 1.0 7.94 ? 157 LYS AA O 1 157 . A ATOM 2868 C CB . LYS AA 1 157 ? -19.376 -1.706 71.143 1.0 8.27 ? 157 LYS AA CB 1 157 . A ATOM 2869 C CG . LYS AA 1 157 ? -19.322 -3.156 70.743 1.0 11.97 ? 157 LYS AA CG 1 157 . A ATOM 2870 C CD . LYS AA 1 157 ? -20.668 -3.577 70.162 1.0 15.97 ? 157 LYS AA CD 1 157 . A ATOM 2871 C CE . LYS AA 1 157 ? -21.761 -3.453 71.181 1.0 18.91 ? 157 LYS AA CE 1 157 . A ATOM 2872 N NZ . LYS AA 1 157 ? -21.953 -2.091 71.759 1.0 23.3 ? 157 LYS AA NZ 1 157 . A ATOM 2873 N N . ASP AA 1 158 ? -19.226 1.539 70.577 1.0 5.57 ? 158 ASP AA N 1 158 . A ATOM 2874 C CA . ASP AA 1 158 ? -19.587 2.876 71.044 1.0 7.33 ? 158 ASP AA CA 1 158 . A ATOM 2875 C C . ASP AA 1 158 ? -20.487 3.594 70.056 1.0 7.76 ? 158 ASP AA C 1 158 . A ATOM 2876 O O . ASP AA 1 158 ? -21.240 4.455 70.452 1.0 8.49 ? 158 ASP AA O 1 158 . A ATOM 2877 C CB . ASP AA 1 158 ? -18.346 3.714 71.297 1.0 7.84 ? 158 ASP AA CB 1 158 . A ATOM 2878 C CG . ASP AA 1 158 ? -17.479 3.133 72.350 1.0 9.4 ? 158 ASP AA CG 1 158 . A ATOM 2879 O OD1 . ASP AA 1 158 ? -18.003 2.901 73.463 1.0 13.22 ? 158 ASP AA OD1 1 158 . A ATOM 2880 O OD2 . ASP AA 1 158 ? -16.294 2.877 72.079 1.0 8.93 ? 158 ASP AA OD2 1 158 . A ATOM 2881 N N . LYS AA 1 159 ? -20.447 3.226 68.785 1.0 6.85 ? 159 LYS AA N 1 159 . A ATOM 2882 C CA . LYS AA 1 159 ? -21.251 3.876 67.752 1.0 6.8 ? 159 LYS AA CA 1 159 . A ATOM 2883 C C . LYS AA 1 159 ? -22.534 3.159 67.419 1.0 6.65 ? 159 LYS AA C 1 159 . A ATOM 2884 O O . LYS AA 1 159 ? -23.517 3.816 67.069 1.0 8.73 ? 159 LYS AA O 1 159 . A ATOM 2885 C CB . LYS AA 1 159 ? -20.399 4.045 66.504 1.0 7.54 ? 159 LYS AA CB 1 159 . A ATOM 2886 C CG . LYS AA 1 159 ? -19.356 5.133 66.666 1.0 8.92 ? 159 LYS AA CG 1 159 . A ATOM 2887 C CD . LYS AA 1 159 ? -18.323 5.120 65.504 1.0 11.35 ? 159 LYS AA CD 1 159 . A ATOM 2888 C CE . LYS AA 1 159 ? -18.972 5.200 64.125 1.0 14.23 ? 159 LYS AA CE 1 159 . A ATOM 2889 N NZ . LYS AA 1 159 ? -19.554 6.535 63.772 1.0 17.1 ? 159 LYS AA NZ 1 159 . A ATOM 2890 N N . CYS AA 1 160 ? -22.556 1.839 67.500 1.0 5.2 ? 160 CYS AA N 1 160 . A ATOM 2891 C CA . CYS AA 1 160 ? -23.791 1.092 67.211 1.0 6.68 ? 160 CYS AA CA 1 160 . A ATOM 2892 C C . CYS AA 1 160 ? -23.718 -0.251 67.940 1.0 6.52 ? 160 CYS AA C 1 160 . A ATOM 2893 O O . CYS AA 1 160 ? -22.654 -0.765 68.228 1.0 7.49 ? 160 CYS AA O 1 160 . A ATOM 2894 C CB . CYS AA 1 160 ? -23.983 0.917 65.665 1.0 7.23 ? 160 CYS AA CB 1 160 . A ATOM 2895 S SG . CYS AA 1 160 ? -22.680 -0.088 64.879 1.0 9.88 ? 160 CYS AA SG 1 160 . A ATOM 2896 N N . LYS AA 1 161 ? -24.860 -0.866 68.168 1.0 7.49 ? 161 LYS AA N 1 161 . A ATOM 2897 C CA . LYS AA 1 161 ? -24.837 -2.050 68.973 1.0 9.38 ? 161 LYS AA CA 1 161 . A ATOM 2898 C C . LYS AA 1 161 ? -24.800 -3.406 68.266 1.0 8.99 ? 161 LYS AA C 1 161 . A ATOM 2899 O O . LYS AA 1 161 ? -24.522 -4.402 68.901 1.0 9.8 ? 161 LYS AA O 1 161 . A ATOM 2900 C CB . LYS AA 1 161 ? -25.995 -1.936 69.966 1.0 11.7 ? 161 LYS AA CB 1 161 . A ATOM 2901 C CG . LYS AA 1 161 ? -25.892 -0.663 70.891 1.0 12.93 ? 161 LYS AA CG 1 161 . A ATOM 2902 C CD . LYS AA 1 161 ? -24.493 -0.469 71.576 1.0 14.46 ? 161 LYS AA CD 1 161 . A ATOM 2903 C CE . LYS AA 1 161 ? -24.458 0.785 72.491 1.0 15.43 ? 161 LYS AA CE 1 161 . A ATOM 2904 N NZ . LYS AA 1 161 ? -23.057 1.161 73.038 1.0 14.61 ? 161 LYS AA NZ 1 161 . A ATOM 2905 N N . CYS AA 1 162 ? -25.022 -3.433 66.953 1.0 8.79 ? 162 CYS AA N 1 162 . A ATOM 2906 C CA . CYS AA 1 162 ? -25.045 -4.724 66.256 1.0 9.34 ? 162 CYS AA CA 1 162 . A ATOM 2907 C C . CYS AA 1 162 ? -23.797 -5.556 66.455 1.0 8.98 ? 162 CYS AA C 1 162 . A ATOM 2908 O O . CYS AA 1 162 ? -22.706 -5.038 66.323 1.0 10.39 ? 162 CYS AA O 1 162 . A ATOM 2909 C CB . CYS AA 1 162 ? -25.250 -4.495 64.768 1.0 9.22 ? 162 CYS AA CB 1 162 . A ATOM 2910 S SG . CYS AA 1 162 ? -25.585 -6.064 63.918 1.0 9.84 ? 162 CYS AA SG 1 162 . A ATOM 2911 N N . THR AA 1 163 ? -23.944 -6.856 66.743 1.0 9.81 ? 163 THR AA N 1 163 . A ATOM 2912 C CA . THR AA 1 163 ? -22.777 -7.726 66.941 1.0 11.75 ? 163 THR AA CA 1 163 . A ATOM 2913 C C . THR AA 1 163 ? -22.438 -8.692 65.788 1.0 10.81 ? 163 THR AA C 1 163 . A ATOM 2914 O O . THR AA 1 163 ? -21.337 -9.242 65.752 1.0 13.74 ? 163 THR AA O 1 163 . A ATOM 2915 C CB . THR AA 1 163 ? -22.917 -8.602 68.199 1.0 13.01 ? 163 THR AA CB 1 163 . A ATOM 2916 O OG1 . THR AA 1 163 ? -24.168 -9.302 68.140 1.0 16.97 ? 163 THR AA OG1 1 163 . A ATOM 2917 C CG2 . THR AA 1 163 ? -22.776 -7.766 69.483 1.0 16.07 ? 163 THR AA CG2 1 163 . A ATOM 2918 N N . THR AA 1 164 ? -23.371 -8.886 64.867 1.0 9.05 ? 164 THR AA N 1 164 . A ATOM 2919 C CA . THR AA 1 164 ? -23.176 -9.833 63.762 1.0 8.52 ? 164 THR AA CA 1 164 . A ATOM 2920 C C . THR AA 1 164 ? -23.480 -9.226 62.396 1.0 7.66 ? 164 THR AA C 1 164 . A ATOM 2921 O O . THR AA 1 164 ? -23.710 -9.955 61.399 1.0 7.54 ? 164 THR AA O 1 164 . A ATOM 2922 C CB . THR AA 1 164 ? -24.071 -11.097 63.926 1.0 9.22 ? 164 THR AA CB 1 164 . A ATOM 2923 O OG1 . THR AA 1 164 ? -25.452 -10.717 63.917 1.0 12.37 ? 164 THR AA OG1 1 164 . A ATOM 2924 C CG2 . THR AA 1 164 ? -23.742 -11.840 65.238 1.0 10.35 ? 164 THR AA CG2 1 164 . A ATOM 2925 N N . CYS AA 1 165 ? -23.436 -7.905 62.305 1.0 5.5 ? 165 CYS AA N 1 165 . A ATOM 2926 C CA . CYS AA 1 165 ? -23.710 -7.226 61.044 1.0 4.95 ? 165 CYS AA CA 1 165 . A ATOM 2927 C C . CYS AA 1 165 ? -22.540 -7.384 60.077 1.0 3.98 ? 165 CYS AA C 1 165 . A ATOM 2928 O O . CYS AA 1 165 ? -21.455 -7.796 60.465 1.0 4.6 ? 165 CYS AA O 1 165 . A ATOM 2929 C CB . CYS AA 1 165 ? -24.055 -5.768 61.300 1.0 4.76 ? 165 CYS AA CB 1 165 . A ATOM 2930 S SG . CYS AA 1 165 ? -25.756 -5.580 61.954 1.0 6.83 ? 165 CYS AA SG 1 165 . A ATOM 2931 N N . ILE AA 1 166 ? -22.777 -7.040 58.814 1.0 4.08 ? 166 ILE AA N 1 166 . A ATOM 2932 C CA . ILE AA 1 166 ? -21.796 -7.267 57.774 1.0 3.76 ? 166 ILE AA CA 1 166 . A ATOM 2933 C C . ILE AA 1 166 ? -20.407 -6.709 58.080 1.0 4.34 ? 166 ILE AA C 1 166 . A ATOM 2934 O O . ILE AA 1 166 ? -19.448 -7.399 57.805 1.0 4.15 ? 166 ILE AA O 1 166 . A ATOM 2935 C CB . ILE AA 1 166 ? -22.330 -6.680 56.444 1.0 3.58 ? 166 ILE AA CB 1 166 . A ATOM 2936 C CG1 . ILE AA 1 166 ? -23.551 -7.500 55.984 1.0 4.17 ? 166 ILE AA CG1 1 166 . A ATOM 2937 C CG2 . ILE AA 1 166 ? -21.230 -6.725 55.343 1.0 4.71 ? 166 ILE AA CG2 1 166 . A ATOM 2938 C CD1 . ILE AA 1 166 ? -24.401 -6.782 54.903 1.0 5.21 ? 166 ILE AA CD1 1 166 . A ATOM 2939 N N . MET AA 1 167 ? -20.329 -5.501 58.656 1.0 3.32 ? 167 MET AA N 1 167 . A ATOM 2940 C CA . MET AA 1 167 ? -19.027 -4.894 58.962 1.0 4.46 ? 167 MET AA CA 1 167 . A ATOM 2941 C C . MET AA 1 167 ? -18.499 -5.232 60.348 1.0 4.39 ? 167 MET AA C 1 167 . A ATOM 2942 O O . MET AA 1 167 ? -17.662 -4.495 60.889 1.0 4.68 ? 167 MET AA O 1 167 . A ATOM 2943 C CB . MET AA 1 167 ? -19.084 -3.382 58.750 1.0 3.98 ? 167 MET AA CB 1 167 . A ATOM 2944 C CG . MET AA 1 167 ? -19.451 -3.004 57.286 1.0 4.0 ? 167 MET AA CG 1 167 . A ATOM 2945 S SD . MET AA 1 167 ? -18.440 -3.742 55.992 1.0 4.27 ? 167 MET AA SD 1 167 . A ATOM 2946 C CE . MET AA 1 167 ? -16.796 -3.154 56.460 1.0 6.21 ? 167 MET AA CE 1 167 . A ATOM 2947 N N . SER AA 1 168 ? -18.938 -6.354 60.929 1.0 3.71 ? 168 SER AA N 1 168 . A ATOM 2948 C CA . SER AA 1 168 ? -18.367 -6.782 62.212 1.0 4.11 ? 168 SER AA CA 1 168 . A ATOM 2949 C C . SER AA 1 168 ? -16.866 -6.947 62.008 1.0 5.36 ? 168 SER AA C 1 168 . A ATOM 2950 O O . SER AA 1 168 ? -16.389 -7.293 60.920 1.0 5.14 ? 168 SER AA O 1 168 . A ATOM 2951 C CB . SER AA 1 168 ? -19.019 -8.089 62.678 1.0 4.77 ? 168 SER AA CB 1 168 . A ATOM 2952 O OG . SER AA 1 168 ? -18.812 -9.148 61.760 1.0 7.24 ? 168 SER AA OG 1 168 . A ATOM 2953 N N . ALA AA 1 169 ? -16.118 -6.718 63.086 1.0 6.68 ? 169 ALA AA N 1 169 . A ATOM 2954 C CA . ALA AA 1 169 ? -14.673 -6.830 62.987 1.0 7.31 ? 169 ALA AA CA 1 169 . A ATOM 2955 C C . ALA AA 1 169 ? -14.157 -8.220 62.581 1.0 7.01 ? 169 ALA AA C 1 169 . A ATOM 2956 O O . ALA AA 1 169 ? -13.106 -8.333 61.961 1.0 7.2 ? 169 ALA AA O 1 169 . A ATOM 2957 C CB . ALA AA 1 169 ? -14.057 -6.388 64.322 1.0 7.83 ? 169 ALA AA CB 1 169 . A ATOM 2958 N N . VAL AA 1 170 ? -14.897 -9.257 62.952 1.0 6.21 ? 170 VAL AA N 1 170 . A ATOM 2959 C CA . VAL AA 1 170 ? -14.585 -10.635 62.633 1.0 7.51 ? 170 VAL AA CA 1 170 . A ATOM 2960 C C . VAL AA 1 170 ? -15.853 -11.332 62.175 1.0 6.73 ? 170 VAL AA C 1 170 . A ATOM 2961 O O . VAL AA 1 170 ? -16.928 -11.066 62.685 1.0 7.68 ? 170 VAL AA O 1 170 . A ATOM 2962 C CB . VAL AA 1 170 ? -14.052 -11.355 63.873 1.0 8.04 ? 170 VAL AA CB 1 170 . A ATOM 2963 C CG1 . VAL AA 1 170 ? -13.448 -12.686 63.483 1.0 9.63 ? 170 VAL AA CG1 1 170 . A ATOM 2964 C CG2 . VAL AA 1 170 ? -13.094 -10.415 64.562 1.0 11.17 ? 170 VAL AA CG2 1 170 . A ATOM 2965 N N . ILE AA 1 171 ? -15.702 -12.224 61.207 1.0 5.98 ? 171 ILE AA N 1 171 . A ATOM 2966 C CA . ILE AA 1 171 ? -16.815 -13.010 60.720 1.0 6.34 ? 171 ILE AA CA 1 171 . A ATOM 2967 C C . ILE AA 1 171 ? -17.124 -14.107 61.748 1.0 6.69 ? 171 ILE AA C 1 171 . A ATOM 2968 O O . ILE AA 1 171 ? -16.257 -14.488 62.559 1.0 7.85 ? 171 ILE AA O 1 171 . A ATOM 2969 C CB . ILE AA 1 171 ? -16.437 -13.692 59.334 1.0 5.52 ? 171 ILE AA CB 1 171 . A ATOM 2970 C CG1 . ILE AA 1 171 ? -17.690 -14.206 58.617 1.0 6.02 ? 171 ILE AA CG1 1 171 . A ATOM 2971 C CG2 . ILE AA 1 171 ? -15.460 -14.839 59.545 1.0 7.15 ? 171 ILE AA CG2 1 171 . A ATOM 2972 C CD1 . ILE AA 1 171 ? -17.407 -14.687 57.153 1.0 7.26 ? 171 ILE AA CD1 1 171 . A ATOM 2973 N N . SER AA 1 172 ? -18.348 -14.622 61.722 1.0 6.82 ? 172 SER AA N 1 172 . A ATOM 2974 C CA . SER AA 1 172 ? -18.716 -15.771 62.557 1.0 7.45 ? 172 SER AA CA 1 172 . A ATOM 2975 C C . SER AA 1 172 ? -19.769 -16.605 61.844 1.0 8.24 ? 172 SER AA C 1 172 . A ATOM 2976 O O . SER AA 1 172 ? -20.342 -16.191 60.830 1.0 8.04 ? 172 SER AA O 1 172 . A ATOM 2977 C CB . SER AA 1 172 ? -19.252 -15.358 63.935 1.0 7.65 ? 172 SER AA CB 1 172 . A ATOM 2978 O OG . SER AA 1 172 ? -20.614 -14.958 63.832 1.0 9.67 ? 172 SER AA OG 1 172 . A ATOM 2979 N N . ASP AA 1 173 ? -20.034 -17.783 62.387 1.0 9.85 ? 173 ASP AA N 1 173 . A ATOM 2980 C CA . ASP AA 1 173 ? -21.022 -18.663 61.808 1.0 10.76 ? 173 ASP AA CA 1 173 . A ATOM 2981 C C . ASP AA 1 173 ? -22.448 -18.138 61.980 1.0 10.99 ? 173 ASP AA C 1 173 . A ATOM 2982 O O . ASP AA 1 173 ? -23.368 -18.680 61.398 1.0 13.29 ? 173 ASP AA O 1 173 . A ATOM 2983 C CB . ASP AA 1 173 ? -20.841 -20.078 62.385 1.0 12.55 ? 173 ASP AA CB 1 173 . A ATOM 2984 C CG . ASP AA 1 173 ? -21.235 -20.189 63.841 1.0 14.01 ? 173 ASP AA CG 1 173 . A ATOM 2985 O OD1 . ASP AA 1 173 ? -21.310 -19.176 64.562 1.0 15.66 ? 173 ASP AA OD1 1 173 . A ATOM 2986 O OD2 . ASP AA 1 173 ? -21.477 -21.341 64.294 1.0 17.25 ? 173 ASP AA OD2 1 173 . A ATOM 2987 N N . LYS AA 1 174 ? -22.618 -17.057 62.727 1.0 10.53 ? 174 LYS AA N 1 174 . A ATOM 2988 C CA . LYS AA 1 174 ? -23.936 -16.463 62.916 1.0 11.79 ? 174 LYS AA CA 1 174 . A ATOM 2989 C C . LYS AA 1 174 ? -24.015 -15.139 62.153 1.0 9.92 ? 174 LYS AA C 1 174 . A ATOM 2990 O O . LYS AA 1 174 ? -24.873 -14.318 62.441 1.0 9.83 ? 174 LYS AA O 1 174 . A ATOM 2991 C CB . LYS AA 1 174 ? -24.193 -16.203 64.401 1.0 14.64 ? 174 LYS AA CB 1 174 . A ATOM 2992 C CG . LYS AA 1 174 ? -23.904 -17.391 65.327 1.0 19.49 ? 174 LYS AA CG 1 174 . A ATOM 2993 C CD . LYS AA 1 174 ? -24.804 -18.560 65.000 1.0 21.56 ? 174 LYS AA CD 1 174 . A ATOM 2994 C CE . LYS AA 1 174 ? -25.659 -18.945 66.210 1.0 23.46 ? 174 LYS AA CE 1 174 . A ATOM 2995 N NZ . LYS AA 1 174 ? -26.865 -19.739 65.794 1.0 23.87 ? 174 LYS AA NZ 1 174 . A ATOM 2996 N N . GLN AA 1 175 ? -23.104 -14.947 61.198 1.0 8.65 ? 175 GLN AA N 1 175 . A ATOM 2997 C CA . GLN AA 1 175 ? -23.086 -13.696 60.424 1.0 7.86 ? 175 GLN AA CA 1 175 . A ATOM 2998 C C . GLN AA 1 175 ? -24.467 -13.350 59.881 1.0 7.76 ? 175 GLN AA C 1 175 . A ATOM 2999 O O . GLN AA 1 175 ? -25.139 -14.201 59.270 1.0 8.25 ? 175 GLN AA O 1 175 . A ATOM 3000 C CB . GLN AA 1 175 ? -22.095 -13.782 59.242 1.0 7.11 ? 175 GLN AA CB 1 175 . A ATOM 3001 C CG . GLN AA 1 175 ? -21.602 -12.423 58.816 1.0 7.07 ? 175 GLN AA CG 1 175 . A ATOM 3002 C CD . GLN AA 1 175 ? -20.752 -11.773 59.879 1.0 6.43 ? 175 GLN AA CD 1 175 . A ATOM 3003 O OE1 . GLN AA 1 175 ? -20.050 -12.454 60.589 1.0 7.67 ? 175 GLN AA OE1 1 175 . A ATOM 3004 N NE2 . GLN AA 1 175 ? -20.797 -10.441 59.977 1.0 8.54 ? 175 GLN AA NE2 1 175 . A ATOM 3005 N N . SER AA 1 176 ? -24.907 -12.111 60.093 1.0 7.46 ? 176 SER AA N 1 176 . A ATOM 3006 C CA . SER AA 1 176 ? -26.197 -11.700 59.559 1.0 7.78 ? 176 SER AA CA 1 176 . A ATOM 3007 C C . SER AA 1 176 ? -25.996 -11.041 58.191 1.0 7.91 ? 176 SER AA C 1 176 . A ATOM 3008 O O . SER AA 1 176 ? -24.866 -10.702 57.792 1.0 8.84 ? 176 SER AA O 1 176 . A ATOM 3009 C CB . SER AA 1 176 ? -26.887 -10.742 60.527 1.0 11.47 ? 176 SER AA CB 1 176 . A ATOM 3010 O OG . SER AA 1 176 ? -26.576 -9.431 60.220 1.0 12.87 ? 176 SER AA OG 1 176 . A ATOM 3011 N N . LYS AA 1 177 ? -27.102 -10.834 57.490 1.0 6.79 ? 177 LYS AA N 1 177 . A ATOM 3012 C CA . LYS AA 1 177 ? -27.055 -10.222 56.174 1.0 6.84 ? 177 LYS AA CA 1 177 . A ATOM 3013 C C . LYS AA 1 177 ? -27.353 -8.729 56.261 1.0 6.24 ? 177 LYS AA C 1 177 . A ATOM 3014 O O . LYS AA 1 177 ? -27.563 -8.096 55.226 1.0 6.93 ? 177 LYS AA O 1 177 . A ATOM 3015 C CB . LYS AA 1 177 ? -28.078 -10.902 55.269 1.0 8.49 ? 177 LYS AA CB 1 177 . A ATOM 3016 C CG . LYS AA 1 177 ? -29.486 -10.638 55.642 1.0 10.36 ? 177 LYS AA CG 1 177 . A ATOM 3017 C CD . LYS AA 1 177 ? -30.353 -11.259 54.541 1.0 12.45 ? 177 LYS AA CD 1 177 . A ATOM 3018 C CE . LYS AA 1 177 ? -31.818 -11.004 54.766 1.0 13.8 ? 177 LYS AA CE 1 177 . A ATOM 3019 N NZ . LYS AA 1 177 ? -32.579 -11.547 53.566 1.0 11.9 ? 177 LYS AA NZ 1 177 . A ATOM 3020 N N . LEU AA 1 178 ? -27.381 -8.166 57.469 1.0 5.32 ? 178 LEU AA N 1 178 . A ATOM 3021 C CA . LEU AA 1 178 ? -27.684 -6.744 57.654 1.0 5.55 ? 178 LEU AA CA 1 178 . A ATOM 3022 C C . LEU AA 1 178 ? -26.486 -5.842 57.903 1.0 4.92 ? 178 LEU AA C 1 178 . A ATOM 3023 O O . LEU AA 1 178 ? -25.490 -6.237 58.528 1.0 5.13 ? 178 LEU AA O 1 178 . A ATOM 3024 C CB . LEU AA 1 178 ? -28.640 -6.551 58.851 1.0 6.85 ? 178 LEU AA CB 1 178 . A ATOM 3025 C CG . LEU AA 1 178 ? -29.983 -7.262 58.713 1.0 7.82 ? 178 LEU AA CG 1 178 . A ATOM 3026 C CD1 . LEU AA 1 178 ? -30.765 -7.048 60.022 1.0 9.6 ? 178 LEU AA CD1 1 178 . A ATOM 3027 C CD2 . LEU AA 1 178 ? -30.758 -6.719 57.536 1.0 10.77 ? 178 LEU AA CD2 1 178 . A ATOM 3028 N N . PHE AA 1 179 ? -26.582 -4.629 57.368 1.0 4.61 ? 179 PHE AA N 1 179 . A ATOM 3029 C CA . PHE AA 1 179 ? -25.602 -3.579 57.662 1.0 5.5 ? 179 PHE AA CA 1 179 . A ATOM 3030 C C . PHE AA 1 179 ? -26.097 -2.907 58.945 1.0 6.11 ? 179 PHE AA C 1 179 . A ATOM 3031 O O . PHE AA 1 179 ? -27.296 -2.638 59.125 1.0 6.83 ? 179 PHE AA O 1 179 . A ATOM 3032 C CB . PHE AA 1 179 ? -25.564 -2.520 56.554 1.0 5.65 ? 179 PHE AA CB 1 179 . A ATOM 3033 C CG . PHE AA 1 179 ? -24.768 -2.921 55.371 1.0 4.25 ? 179 PHE AA CG 1 179 . A ATOM 3034 C CD1 . PHE AA 1 179 ? -23.366 -2.966 55.442 1.0 5.09 ? 179 PHE AA CD1 1 179 . A ATOM 3035 C CD2 . PHE AA 1 179 ? -25.390 -3.287 54.177 1.0 6.26 ? 179 PHE AA CD2 1 179 . A ATOM 3036 C CE1 . PHE AA 1 179 ? -22.605 -3.366 54.341 1.0 6.19 ? 179 PHE AA CE1 1 179 . A ATOM 3037 C CE2 . PHE AA 1 179 ? -24.640 -3.688 53.088 1.0 6.39 ? 179 PHE AA CE2 1 179 . A ATOM 3038 C CZ . PHE AA 1 179 ? -23.257 -3.728 53.157 1.0 6.98 ? 179 PHE AA CZ 1 179 . A ATOM 3039 N N . SER AA 1 180 ? -25.160 -2.615 59.837 1.0 5.22 ? 180 SER AA N 1 180 . A ATOM 3040 C CA . SER AA 1 180 ? -25.450 -1.913 61.088 1.0 5.23 ? 180 SER AA CA 1 180 . A ATOM 3041 C C . SER AA 1 180 ? -25.753 -0.428 60.844 1.0 5.2 ? 180 SER AA C 1 180 . A ATOM 3042 O O . SER AA 1 180 ? -25.558 0.121 59.748 1.0 5.27 ? 180 SER AA O 1 180 . A ATOM 3043 C CB . SER AA 1 180 ? -24.221 -1.978 61.969 1.0 4.33 ? 180 SER AA CB 1 180 . A ATOM 3044 O OG . SER AA 1 180 ? -23.249 -1.084 61.440 1.0 4.92 ? 180 SER AA OG 1 180 . A ATOM 3045 N N . ASP AA 1 181 ? -26.140 0.259 61.919 1.0 5.85 ? 181 ASP AA N 1 181 . A ATOM 3046 C CA . ASP AA 1 181 ? -26.357 1.703 61.815 1.0 6.34 ? 181 ASP AA CA 1 181 . A ATOM 3047 C C . ASP AA 1 181 ? -25.002 2.385 61.619 1.0 5.71 ? 181 ASP AA C 1 181 . A ATOM 3048 O O . ASP AA 1 181 ? -24.936 3.418 60.985 1.0 6.88 ? 181 ASP AA O 1 181 . A ATOM 3049 C CB . ASP AA 1 181 ? -26.992 2.303 63.084 1.0 9.39 ? 181 ASP AA CB 1 181 . A ATOM 3050 C CG . ASP AA 1 181 ? -27.201 3.844 62.958 1.0 12.62 ? 181 ASP AA CG 1 181 . A ATOM 3051 O OD1 . ASP AA 1 181 ? -27.912 4.267 62.007 1.0 17.07 ? 181 ASP AA OD1 1 181 . A ATOM 3052 O OD2 . ASP AA 1 181 ? -26.648 4.635 63.766 1.0 16.36 ? 181 ASP AA OD2 1 181 . A ATOM 3053 N N . CYS AA 1 182 ? -23.919 1.807 62.135 1.0 6.02 ? 182 CYS AA N 1 182 . A ATOM 3054 C CA . CYS AA 1 182 ? -22.597 2.399 61.944 1.0 6.57 ? 182 CYS AA CA 1 182 . A ATOM 3055 C C . CYS AA 1 182 ? -22.300 2.430 60.434 1.0 5.32 ? 182 CYS AA C 1 182 . A ATOM 3056 O O . CYS AA 1 182 ? -21.813 3.410 59.890 1.0 5.43 ? 182 CYS AA O 1 182 . A ATOM 3057 C CB . CYS AA 1 182 ? -21.507 1.505 62.528 1.0 7.75 ? 182 CYS AA CB 1 182 . A ATOM 3058 S SG . CYS AA 1 182 ? -21.255 1.340 64.336 1.0 11.2 ? 182 CYS AA SG 1 182 . A ATOM 3059 N N . SER AA 1 183 ? -22.569 1.297 59.780 1.0 4.38 ? 183 SER AA N 1 183 . A ATOM 3060 C CA . SER AA 1 183 ? -22.307 1.151 58.345 1.0 4.85 ? 183 SER AA CA 1 183 . A ATOM 3061 C C . SER AA 1 183 ? -23.160 2.067 57.496 1.0 4.84 ? 183 SER AA C 1 183 . A ATOM 3062 O O . SER AA 1 183 ? -22.663 2.691 56.553 1.0 5.52 ? 183 SER AA O 1 183 . A ATOM 3063 C CB . SER AA 1 183 ? -22.582 -0.299 57.939 1.0 5.41 ? 183 SER AA CB 1 183 . A ATOM 3064 O OG . SER AA 1 183 ? -21.637 -1.158 58.558 1.0 5.06 ? 183 SER AA OG 1 183 . A ATOM 3065 N N . LYS AA 1 184 ? -24.447 2.161 57.826 1.0 5.13 ? 184 LYS AA N 1 184 . A ATOM 3066 C CA . LYS AA 1 184 ? -25.328 3.038 57.060 1.0 5.8 ? 184 LYS AA CA 1 184 . A ATOM 3067 C C . LYS AA 1 184 ? -24.862 4.479 57.232 1.0 6.54 ? 184 LYS AA C 1 184 . A ATOM 3068 O O . LYS AA 1 184 ? -24.850 5.223 56.269 1.0 7.3 ? 184 LYS AA O 1 184 . A ATOM 3069 C CB . LYS AA 1 184 ? -26.776 2.832 57.502 1.0 7.08 ? 184 LYS AA CB 1 184 . A ATOM 3070 C CG . LYS AA 1 184 ? -27.303 1.467 57.113 1.0 7.58 ? 184 LYS AA CG 1 184 . A ATOM 3071 C CD . LYS AA 1 184 ? -28.717 1.298 57.631 1.0 10.8 ? 184 LYS AA CD 1 184 . A ATOM 3072 C CE . LYS AA 1 184 ? -29.221 -0.036 57.215 1.0 11.88 ? 184 LYS AA CE 1 184 . A ATOM 3073 N NZ . LYS AA 1 184 ? -30.648 -0.146 57.611 1.0 15.78 ? 184 LYS AA NZ 1 184 . A ATOM 3074 N N . ASP AA 1 185 ? -24.447 4.859 58.447 1.0 6.19 ? 185 ASP AA N 1 185 . A ATOM 3075 C CA . ASP AA 1 185 ? -23.969 6.232 58.647 1.0 6.79 ? 185 ASP AA CA 1 185 . A ATOM 3076 C C . ASP AA 1 185 ? -22.678 6.472 57.846 1.0 6.5 ? 185 ASP AA C 1 185 . A ATOM 3077 O O . ASP AA 1 185 ? -22.499 7.545 57.288 1.0 8.02 ? 185 ASP AA O 1 185 . A ATOM 3078 C CB . ASP AA 1 185 ? -23.736 6.504 60.135 1.0 7.65 ? 185 ASP AA CB 1 185 . A ATOM 3079 C CG . ASP AA 1 185 ? -25.018 6.612 60.919 1.0 9.61 ? 185 ASP AA CG 1 185 . A ATOM 3080 O OD1 . ASP AA 1 185 ? -26.104 6.508 60.333 1.0 10.64 ? 185 ASP AA OD1 1 185 . A ATOM 3081 O OD2 . ASP AA 1 185 ? -24.946 6.785 62.161 1.0 9.6 ? 185 ASP AA OD2 1 185 . A ATOM 3082 N N . TYR AA 1 186 ? -21.761 5.497 57.813 1.0 6.08 ? 186 TYR AA N 1 186 . A ATOM 3083 C CA . TYR AA 1 186 ? -20.551 5.631 56.997 1.0 6.04 ? 186 TYR AA CA 1 186 . A ATOM 3084 C C . TYR AA 1 186 ? -20.909 5.826 55.534 1.0 6.17 ? 186 TYR AA C 1 186 . A ATOM 3085 O O . TYR AA 1 186 ? -20.262 6.601 54.837 1.0 7.2 ? 186 TYR AA O 1 186 . A ATOM 3086 C CB . TYR AA 1 186 ? -19.641 4.390 57.072 1.0 6.07 ? 186 TYR AA CB 1 186 . A ATOM 3087 C CG . TYR AA 1 186 ? -18.732 4.336 58.297 1.0 6.93 ? 186 TYR AA CG 1 186 . A ATOM 3088 C CD1 . TYR AA 1 186 ? -18.759 3.240 59.152 1.0 6.86 ? 186 TYR AA CD1 1 186 . A ATOM 3089 C CD2 . TYR AA 1 186 ? -17.848 5.396 58.594 1.0 8.07 ? 186 TYR AA CD2 1 186 . A ATOM 3090 C CE1 . TYR AA 1 186 ? -17.946 3.183 60.274 1.0 7.02 ? 186 TYR AA CE1 1 186 . A ATOM 3091 C CE2 . TYR AA 1 186 ? -17.036 5.339 59.723 1.0 9.06 ? 186 TYR AA CE2 1 186 . A ATOM 3092 C CZ . TYR AA 1 186 ? -17.095 4.241 60.548 1.0 7.77 ? 186 TYR AA CZ 1 186 . A ATOM 3093 O OH . TYR AA 1 186 ? -16.337 4.172 61.696 1.0 10.67 ? 186 TYR AA OH 1 186 . A ATOM 3094 N N . TYR AA 1 187 ? -21.916 5.100 55.053 1.0 6.03 ? 187 TYR AA N 1 187 . A ATOM 3095 C CA . TYR AA 1 187 ? -22.323 5.232 53.658 1.0 7.59 ? 187 TYR AA CA 1 187 . A ATOM 3096 C C . TYR AA 1 187 ? -22.894 6.620 53.398 1.0 7.83 ? 187 TYR AA C 1 187 . A ATOM 3097 O O . TYR AA 1 187 ? -22.617 7.203 52.342 1.0 7.8 ? 187 TYR AA O 1 187 . A ATOM 3098 C CB . TYR AA 1 187 ? -23.314 4.108 53.290 1.0 6.34 ? 187 TYR AA CB 1 187 . A ATOM 3099 C CG . TYR AA 1 187 ? -23.712 4.124 51.823 1.0 6.03 ? 187 TYR AA CG 1 187 . A ATOM 3100 C CD1 . TYR AA 1 187 ? -22.752 4.115 50.817 1.0 6.82 ? 187 TYR AA CD1 1 187 . A ATOM 3101 C CD2 . TYR AA 1 187 ? -25.053 4.155 51.463 1.0 6.21 ? 187 TYR AA CD2 1 187 . A ATOM 3102 C CE1 . TYR AA 1 187 ? -23.146 4.137 49.465 1.0 7.57 ? 187 TYR AA CE1 1 187 . A ATOM 3103 C CE2 . TYR AA 1 187 ? -25.445 4.185 50.135 1.0 7.37 ? 187 TYR AA CE2 1 187 . A ATOM 3104 C CZ . TYR AA 1 187 ? -24.483 4.173 49.145 1.0 7.49 ? 187 TYR AA CZ 1 187 . A ATOM 3105 O OH . TYR AA 1 187 ? -24.817 4.202 47.794 1.0 7.53 ? 187 TYR AA OH 1 187 . A ATOM 3106 N N . GLN AA 1 188 ? -23.677 7.156 54.329 1.0 8.44 ? 188 GLN AA N 1 188 . A ATOM 3107 C CA . GLN AA 1 188 ? -24.206 8.497 54.121 1.0 9.41 ? 188 GLN AA CA 1 188 . A ATOM 3108 C C . GLN AA 1 188 ? -23.037 9.481 54.014 1.0 10.19 ? 188 GLN AA C 1 188 . A ATOM 3109 O O . GLN AA 1 188 ? -23.041 10.377 53.157 1.0 9.87 ? 188 GLN AA O 1 188 . A ATOM 3110 C CB . GLN AA 1 188 ? -25.118 8.928 55.275 1.0 10.54 ? 188 GLN AA CB 1 188 . A ATOM 3111 C CG . GLN AA 1 188 ? -25.664 10.338 55.037 1.0 12.46 ? 188 GLN AA CG 1 188 . A ATOM 3112 C CD . GLN AA 1 188 ? -26.456 10.403 53.735 1.0 13.14 ? 188 GLN AA CD 1 188 . A ATOM 3113 O OE1 . GLN AA 1 188 ? -26.043 11.024 52.726 1.0 15.25 ? 188 GLN AA OE1 1 188 . A ATOM 3114 N NE2 . GLN AA 1 188 ? -27.574 9.751 53.731 1.0 13.08 ? 188 GLN AA NE2 1 188 . A ATOM 3115 N N . THR AA 1 189 ? -22.030 9.313 54.870 1.0 9.79 ? 189 THR AA N 1 189 . A ATOM 3116 C CA . THR AA 1 189 ? -20.871 10.204 54.850 1.0 9.83 ? 189 THR AA CA 1 189 . A ATOM 3117 C C . THR AA 1 189 ? -20.184 10.132 53.485 1.0 10.84 ? 189 THR AA C 1 189 . A ATOM 3118 O O . THR AA 1 189 ? -19.810 11.161 52.896 1.0 11.41 ? 189 THR AA O 1 189 . A ATOM 3119 C CB . THR AA 1 189 ? -19.927 9.816 56.000 1.0 10.56 ? 189 THR AA CB 1 189 . A ATOM 3120 O OG1 . THR AA 1 189 ? -20.585 10.112 57.250 1.0 10.12 ? 189 THR AA OG1 1 189 . A ATOM 3121 C CG2 . THR AA 1 189 ? -18.617 10.593 55.924 1.0 10.76 ? 189 THR AA CG2 1 189 . A ATOM 3122 N N . PHE AA 1 190 ? -20.018 8.910 52.979 1.0 9.77 ? 190 PHE AA N 1 190 . A ATOM 3123 C CA . PHE AA 1 190 ? -19.424 8.676 51.671 1.0 10.05 ? 190 PHE AA CA 1 190 . A ATOM 3124 C C . PHE AA 1 190 ? -20.209 9.358 50.541 1.0 9.92 ? 190 PHE AA C 1 190 . A ATOM 3125 O O . PHE AA 1 190 ? -19.597 10.006 49.672 1.0 9.52 ? 190 PHE AA O 1 190 . A ATOM 3126 C CB . PHE AA 1 190 ? -19.372 7.163 51.415 1.0 9.65 ? 190 PHE AA CB 1 190 . A ATOM 3127 C CG . PHE AA 1 190 ? -18.625 6.796 50.173 1.0 10.91 ? 190 PHE AA CG 1 190 . A ATOM 3128 C CD1 . PHE AA 1 190 ? -17.251 6.985 50.100 1.0 11.72 ? 190 PHE AA CD1 1 190 . A ATOM 3129 C CD2 . PHE AA 1 190 ? -19.300 6.294 49.080 1.0 12.38 ? 190 PHE AA CD2 1 190 . A ATOM 3130 C CE1 . PHE AA 1 190 ? -16.560 6.668 48.935 1.0 12.55 ? 190 PHE AA CE1 1 190 . A ATOM 3131 C CE2 . PHE AA 1 190 ? -18.595 5.976 47.899 1.0 11.87 ? 190 PHE AA CE2 1 190 . A ATOM 3132 C CZ . PHE AA 1 190 ? -17.240 6.166 47.843 1.0 11.81 ? 190 PHE AA CZ 1 190 . A ATOM 3133 N N . LEU AA 1 191 ? -21.538 9.219 50.523 1.0 10.0 ? 191 LEU AA N 1 191 . A ATOM 3134 C CA . LEU AA 1 191 ? -22.353 9.847 49.475 1.0 10.54 ? 191 LEU AA CA 1 191 . A ATOM 3135 C C . LEU AA 1 191 ? -22.292 11.365 49.562 1.0 12.26 ? 191 LEU AA C 1 191 . A ATOM 3136 O O . LEU AA 1 191 ? -22.386 12.057 48.543 1.0 13.04 ? 191 LEU AA O 1 191 . A ATOM 3137 C CB . LEU AA 1 191 ? -23.800 9.412 49.605 1.0 9.97 ? 191 LEU AA CB 1 191 . A ATOM 3138 C CG . LEU AA 1 191 ? -24.075 7.948 49.233 1.0 10.3 ? 191 LEU AA CG 1 191 . A ATOM 3139 C CD1 . LEU AA 1 191 ? -25.595 7.738 49.272 1.0 11.98 ? 191 LEU AA CD1 1 191 . A ATOM 3140 C CD2 . LEU AA 1 191 ? -23.534 7.659 47.822 1.0 11.37 ? 191 LEU AA CD2 1 191 . A ATOM 3141 N N . THR AA 1 192 ? -22.101 11.868 50.763 1.0 11.85 ? 192 THR AA N 1 192 . A ATOM 3142 C CA . THR AA 1 192 ? -22.025 13.305 50.989 1.0 14.45 ? 192 THR AA CA 1 192 . A ATOM 3143 C C . THR AA 1 192 ? -20.672 13.900 50.653 1.0 14.78 ? 192 THR AA C 1 192 . A ATOM 3144 O O . THR AA 1 192 ? -20.593 14.903 49.923 1.0 16.15 ? 192 THR AA O 1 192 . A ATOM 3145 C CB . THR AA 1 192 ? -22.346 13.619 52.437 1.0 14.66 ? 192 THR AA CB 1 192 . A ATOM 3146 O OG1 . THR AA 1 192 ? -23.719 13.308 52.696 1.0 15.6 ? 192 THR AA OG1 1 192 . A ATOM 3147 C CG2 . THR AA 1 192 ? -22.081 15.114 52.745 1.0 16.07 ? 192 THR AA CG2 1 192 . A ATOM 3148 N N . ASN AA 1 193 ? -19.608 13.286 51.157 1.0 14.35 ? 193 ASN AA N 1 193 . A ATOM 3149 C CA . ASN AA 1 193 ? -18.254 13.806 50.954 1.0 15.07 ? 193 ASN AA CA 1 193 . A ATOM 3150 C C . ASN AA 1 193 ? -17.549 13.394 49.680 1.0 15.44 ? 193 ASN AA C 1 193 . A ATOM 3151 O O . ASN AA 1 193 ? -16.757 14.159 49.145 1.0 15.93 ? 193 ASN AA O 1 193 . A ATOM 3152 C CB . ASN AA 1 193 ? -17.339 13.425 52.130 1.0 15.07 ? 193 ASN AA CB 1 193 . A ATOM 3153 C CG . ASN AA 1 193 ? -17.796 14.020 53.442 1.0 16.13 ? 193 ASN AA CG 1 193 . A ATOM 3154 O OD1 . ASN AA 1 193 ? -18.643 14.912 53.462 1.0 18.6 ? 193 ASN AA OD1 1 193 . A ATOM 3155 N ND2 . ASN AA 1 193 ? -17.247 13.524 54.540 1.0 17.66 ? 193 ASN AA ND2 1 193 . A ATOM 3156 N N . ASP AA 1 194 ? -17.831 12.194 49.187 1.0 14.78 ? 194 ASP AA N 1 194 . A ATOM 3157 C CA . ASP AA 1 194 ? -17.171 11.655 48.000 1.0 15.55 ? 194 ASP AA CA 1 194 . A ATOM 3158 C C . ASP AA 1 194 ? -18.099 11.615 46.788 1.0 14.89 ? 194 ASP AA C 1 194 . A ATOM 3159 O O . ASP AA 1 194 ? -17.754 12.129 45.726 1.0 15.32 ? 194 ASP AA O 1 194 . A ATOM 3160 C CB . ASP AA 1 194 ? -16.617 10.244 48.323 1.0 17.33 ? 194 ASP AA CB 1 194 . A ATOM 3161 C CG . ASP AA 1 194 ? -15.541 9.788 47.345 1.0 20.76 ? 194 ASP AA CG 1 194 . A ATOM 3162 O OD1 . ASP AA 1 194 ? -14.482 9.290 47.809 1.0 22.61 ? 194 ASP AA OD1 1 194 . A ATOM 3163 O OD2 . ASP AA 1 194 ? -15.741 9.913 46.117 1.0 21.12 ? 194 ASP AA OD2 1 194 . A ATOM 3164 N N . ASN AA 1 195 ? -19.255 10.975 46.931 1.0 14.71 ? 195 ASN AA N 1 195 . A ATOM 3165 C CA . ASN AA 1 195 ? -20.264 10.904 45.871 1.0 14.22 ? 195 ASN AA CA 1 195 . A ATOM 3166 C C . ASN AA 1 195 ? -19.656 10.605 44.500 1.0 13.58 ? 195 ASN AA C 1 195 . A ATOM 3167 O O . ASN AA 1 195 ? -19.817 11.393 43.554 1.0 14.68 ? 195 ASN AA O 1 195 . A ATOM 3168 C CB . ASN AA 1 195 ? -21.014 12.246 45.831 1.0 15.52 ? 195 ASN AA CB 1 195 . A ATOM 3169 C CG . ASN AA 1 195 ? -22.346 12.152 45.125 1.0 17.25 ? 195 ASN AA CG 1 195 . A ATOM 3170 O OD1 . ASN AA 1 195 ? -22.949 11.070 45.027 1.0 16.6 ? 195 ASN AA OD1 1 195 . A ATOM 3171 N ND2 . ASN AA 1 195 ? -22.845 13.298 44.650 1.0 19.07 ? 195 ASN AA ND2 1 195 . A ATOM 3172 N N . PRO AA 1 196 ? -18.951 9.462 44.361 1.0 12.99 ? 196 PRO AA N 1 196 . A ATOM 3173 C CA . PRO AA 1 196 ? -18.365 9.178 43.052 1.0 13.02 ? 196 PRO AA CA 1 196 . A ATOM 3174 C C . PRO AA 1 196 ? -19.392 9.038 41.945 1.0 13.14 ? 196 PRO AA C 1 196 . A ATOM 3175 O O . PRO AA 1 196 ? -20.480 8.498 42.123 1.0 12.08 ? 196 PRO AA O 1 196 . A ATOM 3176 C CB . PRO AA 1 196 ? -17.563 7.900 43.297 1.0 14.0 ? 196 PRO AA CB 1 196 . A ATOM 3177 C CG . PRO AA 1 196 ? -18.366 7.209 44.294 1.0 12.94 ? 196 PRO AA CG 1 196 . A ATOM 3178 C CD . PRO AA 1 196 ? -18.768 8.310 45.263 1.0 13.73 ? 196 PRO AA CD 1 196 . A ATOM 3179 N N . GLN AA 1 197 ? -19.040 9.561 40.785 1.0 13.58 ? 197 GLN AA N 1 197 . A ATOM 3180 C CA . GLN AA 1 197 ? -19.958 9.540 39.662 1.0 13.94 ? 197 GLN AA CA 1 197 . A ATOM 3181 C C . GLN AA 1 197 ? -20.310 8.197 39.041 1.0 12.68 ? 197 GLN AA C 1 197 . A ATOM 3182 O O . GLN AA 1 197 ? -21.430 8.009 38.571 1.0 13.07 ? 197 GLN AA O 1 197 . A ATOM 3183 C CB . GLN AA 1 197 ? -19.417 10.442 38.551 1.0 16.78 ? 197 GLN AA CB 1 197 . A ATOM 3184 C CG . GLN AA 1 197 ? -20.228 10.377 37.249 1.0 21.48 ? 197 GLN AA CG 1 197 . A ATOM 3185 C CD . GLN AA 1 197 ? -21.557 11.099 37.330 1.0 24.18 ? 197 GLN AA CD 1 197 . A ATOM 3186 O OE1 . GLN AA 1 197 ? -21.625 12.237 37.815 1.0 26.39 ? 197 GLN AA OE1 1 197 . A ATOM 3187 N NE2 . GLN AA 1 197 ? -22.627 10.456 36.835 1.0 25.22 ? 197 GLN AA NE2 1 197 . A ATOM 3188 N N . CYS AA 1 198 ? -19.381 7.243 39.056 1.0 12.05 ? 198 CYS AA N 1 198 . A ATOM 3189 C CA . CYS AA 1 198 ? -19.683 6.004 38.362 1.0 12.34 ? 198 CYS AA CA 1 198 . A ATOM 3190 C C . CYS AA 1 198 ? -20.885 5.265 38.896 1.0 12.34 ? 198 CYS AA C 1 198 . A ATOM 3191 O O . CYS AA 1 198 ? -21.582 4.620 38.126 1.0 12.93 ? 198 CYS AA O 1 198 . A ATOM 3192 C CB . CYS AA 1 198 ? -18.450 5.085 38.302 1.0 12.1 ? 198 CYS AA CB 1 198 . A ATOM 3193 S SG . CYS AA 1 198 ? -18.124 3.897 39.651 1.0 13.77 ? 198 CYS AA SG 1 198 . A ATOM 3194 N N . ILE AA 1 199 ? -21.188 5.403 40.181 1.0 11.1 ? 199 ILE AA N 1 199 . A ATOM 3195 C CA . ILE AA 1 199 ? -22.313 4.659 40.735 1.0 11.28 ? 199 ILE AA CA 1 199 . A ATOM 3196 C C . ILE AA 1 199 ? -23.656 5.376 40.582 1.0 11.27 ? 199 ILE AA C 1 199 . A ATOM 3197 O O . ILE AA 1 199 ? -24.691 4.851 40.973 1.0 10.24 ? 199 ILE AA O 1 199 . A ATOM 3198 C CB . ILE AA 1 199 ? -22.049 4.221 42.209 1.0 10.78 ? 199 ILE AA CB 1 199 . A ATOM 3199 C CG1 . ILE AA 1 199 ? -21.796 5.414 43.118 1.0 11.91 ? 199 ILE AA CG1 1 199 . A ATOM 3200 C CG2 . ILE AA 1 199 ? -20.835 3.269 42.245 1.0 11.48 ? 199 ILE AA CG2 1 199 . A ATOM 3201 C CD1 . ILE AA 1 199 ? -21.876 5.066 44.612 1.0 12.44 ? 199 ILE AA CD1 1 199 . A ATOM 3202 N N . LEU AA 1 200 ? -23.637 6.539 39.933 1.0 12.38 ? 200 LEU AA N 1 200 . A ATOM 3203 C CA . LEU AA 1 200 ? -24.877 7.252 39.665 1.0 14.43 ? 200 LEU AA CA 1 200 . A ATOM 3204 C C . LEU AA 1 200 ? -25.400 6.746 38.339 1.0 16.08 ? 200 LEU AA C 1 200 . A ATOM 3205 O O . LEU AA 1 200 ? -26.555 6.955 38.024 1.0 17.57 ? 200 LEU AA O 1 200 . A ATOM 3206 C CB . LEU AA 1 200 ? -24.618 8.759 39.562 1.0 15.77 ? 200 LEU AA CB 1 200 . A ATOM 3207 C CG . LEU AA 1 200 ? -24.617 9.492 40.903 1.0 17.06 ? 200 LEU AA CG 1 200 . A ATOM 3208 C CD1 . LEU AA 1 200 ? -26.036 9.622 41.399 1.0 18.67 ? 200 LEU AA CD1 1 200 . A ATOM 3209 C CD2 . LEU AA 1 200 ? -23.768 8.761 41.888 1.0 20.06 ? 200 LEU AA CD2 1 200 . A ATOM 3210 N N . ASN AA 1 201 ? -24.541 6.055 37.590 1.0 17.24 ? 201 ASN AA N 1 201 . A ATOM 3211 C CA . ASN AA 1 201 ? -24.889 5.549 36.273 1.0 18.51 ? 201 ASN AA CA 1 201 . A ATOM 3212 C C . ASN AA 1 201 ? -25.535 4.168 36.220 1.0 17.75 ? 201 ASN AA C 1 201 . A ATOM 3213 O O . ASN AA 1 201 ? -24.921 3.165 36.586 1.0 18.62 ? 201 ASN AA O 1 201 . A ATOM 3214 C CB . ASN AA 1 201 ? -23.651 5.532 35.369 1.0 20.54 ? 201 ASN AA CB 1 201 . A ATOM 3215 C CG . ASN AA 1 201 ? -22.942 6.869 35.310 1.0 22.04 ? 201 ASN AA CG 1 201 . A ATOM 3216 O OD1 . ASN AA 1 201 ? -23.570 7.931 35.346 1.0 23.52 ? 201 ASN AA OD1 1 201 . A ATOM 3217 N ND2 . ASN AA 1 201 ? -21.623 6.826 35.191 1.0 22.77 ? 201 ASN AA ND2 1 201 . A ATOM 3218 N N . ALA AA 1 202 ? -26.773 4.114 35.755 1.0 17.76 ? 202 ALA AA N 1 202 . A ATOM 3219 C CA . ALA AA 1 202 ? -27.456 2.834 35.606 1.0 17.08 ? 202 ALA AA CA 1 202 . A ATOM 3220 C C . ALA AA 1 202 ? -26.833 2.150 34.378 1.0 16.75 ? 202 ALA AA C 1 202 . A ATOM 3221 O O . ALA AA 1 202 ? -26.358 2.828 33.463 1.0 17.82 ? 202 ALA AA O 1 202 . A ATOM 3222 C CB . ALA AA 1 202 ? -28.935 3.056 35.370 1.0 17.58 ? 202 ALA AA CB 1 202 . A ATOM 3223 N N . PRO AA 1 203 ? -26.811 0.811 34.340 1.0 15.27 ? 203 PRO AA N 1 203 . A ATOM 3224 C CA . PRO AA 1 203 ? -26.233 0.092 33.193 1.0 15.89 ? 203 PRO AA CA 1 203 . A ATOM 3225 C C . PRO AA 1 203 ? -26.974 0.439 31.898 1.0 17.34 ? 203 PRO AA C 1 203 . A ATOM 3226 O O . PRO AA 1 203 ? -28.172 0.748 31.958 1.0 17.89 ? 203 PRO AA O 1 203 . A ATOM 3227 C CB . PRO AA 1 203 ? -26.423 -1.375 33.568 1.0 15.81 ? 203 PRO AA CB 1 203 . A ATOM 3228 C CG . PRO AA 1 203 ? -26.401 -1.365 35.094 1.0 14.61 ? 203 PRO AA CG 1 203 . A ATOM 3229 C CD . PRO AA 1 203 ? -27.207 -0.116 35.421 1.0 15.4 ? 203 PRO AA CD 1 203 . A ATOM 3230 O OXT . PRO AA 1 203 ? -26.351 0.355 30.825 1.0 16.93 ? 203 PRO AA OXT 1 203 . A HETATM 3231 N N . PCA B 2 1 ? 14.734 9.722 3.561 1.0 15.64 ? 251 PCA B N 1 1 . B HETATM 3232 C CA . PCA B 2 1 ? 14.531 9.796 5.017 1.0 13.22 ? 251 PCA B CA 1 1 . B HETATM 3233 C CB . PCA B 2 1 ? 15.157 11.083 5.544 1.0 15.39 ? 251 PCA B CB 1 1 . B HETATM 3234 C CG . PCA B 2 1 ? 15.572 11.809 4.311 1.0 15.97 ? 251 PCA B CG 1 1 . B HETATM 3235 C CD . PCA B 2 1 ? 15.240 10.889 3.172 1.0 16.08 ? 251 PCA B CD 1 1 . B HETATM 3236 O OE . PCA B 2 1 ? 15.420 11.182 1.994 1.0 16.73 ? 251 PCA B OE 1 1 . B HETATM 3237 C C . PCA B 2 1 ? 13.033 9.810 5.258 1.0 12.54 ? 251 PCA B C 1 1 . B HETATM 3238 O O . PCA B 2 1 ? 12.295 10.584 4.639 1.0 12.05 ? 251 PCA B O 1 1 . B ATOM 3239 N N . ASN B 2 2 ? 12.569 8.957 6.158 1.0 9.77 ? 252 ASN B N 1 2 . B ATOM 3240 C CA . ASN B 2 2 ? 11.147 8.896 6.452 1.0 9.06 ? 252 ASN B CA 1 2 . B ATOM 3241 C C . ASN B 2 2 ? 10.890 9.684 7.729 1.0 7.91 ? 252 ASN B C 1 2 . B ATOM 3242 O O . ASN B 2 2 ? 11.633 9.558 8.692 1.0 8.28 ? 252 ASN B O 1 2 . B ATOM 3243 C CB . ASN B 2 2 ? 10.699 7.448 6.707 1.0 9.21 ? 252 ASN B CB 1 2 . B ATOM 3244 C CG . ASN B 2 2 ? 10.382 6.690 5.425 1.0 11.24 ? 252 ASN B CG 1 2 . B ATOM 3245 O OD1 . ASN B 2 2 ? 9.514 7.094 4.643 1.0 12.87 ? 252 ASN B OD1 1 2 . B ATOM 3246 N ND2 . ASN B 2 2 ? 11.082 5.578 5.210 1.0 12.25 ? 252 ASN B ND2 1 2 . B ATOM 3247 N N . TRP B 2 3 ? 9.848 10.506 7.709 1.0 6.65 ? 253 TRP B N 1 3 . B ATOM 3248 C CA . TRP B 2 3 ? 9.428 11.272 8.882 1.0 5.48 ? 253 TRP B CA 1 3 . B ATOM 3249 C C . TRP B 2 3 ? 7.945 11.541 8.792 1.0 6.1 ? 253 TRP B C 1 3 . B ATOM 3250 O O . TRP B 2 3 ? 7.318 11.929 9.786 1.0 6.35 ? 253 TRP B O 1 3 . B ATOM 3251 C CB . TRP B 2 3 ? 10.199 12.586 9.017 1.0 5.11 ? 253 TRP B CB 1 3 . B ATOM 3252 C CG . TRP B 2 3 ? 9.899 13.717 8.013 1.0 4.35 ? 253 TRP B CG 1 3 . B ATOM 3253 C CD1 . TRP B 2 3 ? 9.256 13.647 6.800 1.0 4.41 ? 253 TRP B CD1 1 3 . B ATOM 3254 C CD2 . TRP B 2 3 ? 10.240 15.084 8.204 1.0 3.66 ? 253 TRP B CD2 1 3 . B ATOM 3255 N NE1 . TRP B 2 3 ? 9.180 14.905 6.225 1.0 5.11 ? 253 TRP B NE1 1 3 . B ATOM 3256 C CE2 . TRP B 2 3 ? 9.773 15.810 7.065 1.0 3.95 ? 253 TRP B CE2 1 3 . B ATOM 3257 C CE3 . TRP B 2 3 ? 10.886 15.775 9.218 1.0 4.21 ? 253 TRP B CE3 1 3 . B ATOM 3258 C CZ2 . TRP B 2 3 ? 9.936 17.198 6.936 1.0 4.38 ? 253 TRP B CZ2 1 3 . B ATOM 3259 C CZ3 . TRP B 2 3 ? 11.063 17.155 9.099 1.0 4.62 ? 253 TRP B CZ3 1 3 . B ATOM 3260 C CH2 . TRP B 2 3 ? 10.591 17.857 7.971 1.0 4.54 ? 253 TRP B CH2 1 3 . B ATOM 3261 O OXT . TRP B 2 3 ? 7.374 11.384 7.691 1.0 6.66 ? 253 TRP B OXT 1 3 . B HETATM 3262 N N . PCA BA 2 1 ? -9.722 -14.734 62.036 1.0 15.64 ? 251 PCA BA N 1 1 . B HETATM 3263 C CA . PCA BA 2 1 ? -9.796 -14.531 60.580 1.0 13.22 ? 251 PCA BA CA 1 1 . B HETATM 3264 C CB . PCA BA 2 1 ? -11.083 -15.157 60.053 1.0 15.39 ? 251 PCA BA CB 1 1 . B HETATM 3265 C CG . PCA BA 2 1 ? -11.809 -15.572 61.286 1.0 15.97 ? 251 PCA BA CG 1 1 . B HETATM 3266 C CD . PCA BA 2 1 ? -10.889 -15.240 62.425 1.0 16.08 ? 251 PCA BA CD 1 1 . B HETATM 3267 O OE . PCA BA 2 1 ? -11.182 -15.420 63.603 1.0 16.73 ? 251 PCA BA OE 1 1 . B HETATM 3268 C C . PCA BA 2 1 ? -9.810 -13.033 60.339 1.0 12.54 ? 251 PCA BA C 1 1 . B HETATM 3269 O O . PCA BA 2 1 ? -10.584 -12.295 60.958 1.0 12.05 ? 251 PCA BA O 1 1 . B ATOM 3270 N N . ASN BA 2 2 ? -8.957 -12.569 59.439 1.0 9.77 ? 252 ASN BA N 1 2 . B ATOM 3271 C CA . ASN BA 2 2 ? -8.896 -11.147 59.145 1.0 9.06 ? 252 ASN BA CA 1 2 . B ATOM 3272 C C . ASN BA 2 2 ? -9.684 -10.890 57.868 1.0 7.91 ? 252 ASN BA C 1 2 . B ATOM 3273 O O . ASN BA 2 2 ? -9.558 -11.633 56.905 1.0 8.28 ? 252 ASN BA O 1 2 . B ATOM 3274 C CB . ASN BA 2 2 ? -7.448 -10.699 58.890 1.0 9.21 ? 252 ASN BA CB 1 2 . B ATOM 3275 C CG . ASN BA 2 2 ? -6.690 -10.382 60.172 1.0 11.24 ? 252 ASN BA CG 1 2 . B ATOM 3276 O OD1 . ASN BA 2 2 ? -7.094 -9.514 60.954 1.0 12.87 ? 252 ASN BA OD1 1 2 . B ATOM 3277 N ND2 . ASN BA 2 2 ? -5.578 -11.082 60.387 1.0 12.25 ? 252 ASN BA ND2 1 2 . B ATOM 3278 N N . TRP BA 2 3 ? -10.506 -9.848 57.888 1.0 6.65 ? 253 TRP BA N 1 3 . B ATOM 3279 C CA . TRP BA 2 3 ? -11.272 -9.428 56.715 1.0 5.48 ? 253 TRP BA CA 1 3 . B ATOM 3280 C C . TRP BA 2 3 ? -11.541 -7.945 56.805 1.0 6.1 ? 253 TRP BA C 1 3 . B ATOM 3281 O O . TRP BA 2 3 ? -11.929 -7.318 55.811 1.0 6.35 ? 253 TRP BA O 1 3 . B ATOM 3282 C CB . TRP BA 2 3 ? -12.586 -10.199 56.580 1.0 5.11 ? 253 TRP BA CB 1 3 . B ATOM 3283 C CG . TRP BA 2 3 ? -13.717 -9.899 57.584 1.0 4.35 ? 253 TRP BA CG 1 3 . B ATOM 3284 C CD1 . TRP BA 2 3 ? -13.647 -9.256 58.797 1.0 4.41 ? 253 TRP BA CD1 1 3 . B ATOM 3285 C CD2 . TRP BA 2 3 ? -15.084 -10.240 57.393 1.0 3.66 ? 253 TRP BA CD2 1 3 . B ATOM 3286 N NE1 . TRP BA 2 3 ? -14.905 -9.180 59.372 1.0 5.11 ? 253 TRP BA NE1 1 3 . B ATOM 3287 C CE2 . TRP BA 2 3 ? -15.810 -9.773 58.532 1.0 3.95 ? 253 TRP BA CE2 1 3 . B ATOM 3288 C CE3 . TRP BA 2 3 ? -15.775 -10.886 56.379 1.0 4.21 ? 253 TRP BA CE3 1 3 . B ATOM 3289 C CZ2 . TRP BA 2 3 ? -17.198 -9.936 58.661 1.0 4.38 ? 253 TRP BA CZ2 1 3 . B ATOM 3290 C CZ3 . TRP BA 2 3 ? -17.155 -11.063 56.498 1.0 4.62 ? 253 TRP BA CZ3 1 3 . B ATOM 3291 C CH2 . TRP BA 2 3 ? -17.857 -10.591 57.626 1.0 4.54 ? 253 TRP BA CH2 1 3 . B ATOM 3292 O OXT . TRP BA 2 3 ? -11.384 -7.374 57.906 1.0 6.66 ? 253 TRP BA OXT 1 3 . B HETATM 3293 CD CD . CD C 3 . ? 5.554 12.624 8.212 1.0 6.68 ? 981 CD C CD 1 981 . A HETATM 3294 CD CD . CD CA 3 . ? -12.624 -5.554 57.385 1.0 6.68 ? 981 CD CA CD 1 981 . A HETATM 3295 CD CD . CD D 3 . ? 15.466 28.026 28.239 1.0 9.01 ? 982 CD D CD 1 982 . A HETATM 3296 CD CD . CD DA 3 . ? -28.026 -15.466 37.358 1.0 9.01 ? 982 CD DA CD 1 982 . A HETATM 3297 CD CD . CD E 3 . ? -6.631 27.175 2.810 1.0 15.89 ? 983 CD E CD 1 983 . A HETATM 3298 CD CD . CD EA 3 . ? -27.175 6.631 62.787 1.0 15.89 ? 983 CD EA CD 1 983 . A HETATM 3299 CD CD . CD F 3 . ? 25.592 3.636 30.178 1.0 43.42 ? 984 CD F CD 1 984 . A HETATM 3300 CD CD . CD FA 3 . ? -3.636 -25.592 35.419 1.0 43.42 ? 984 CD FA CD 1 984 . A HETATM 3301 CD CD . CD G 3 . ? -1.280 34.121 21.325 1.0 19.71 ? 985 CD G CD 1 985 . A HETATM 3302 CD CD . CD GA 3 . ? -34.121 1.280 44.272 1.0 19.71 ? 985 CD GA CD 1 985 . A HETATM 3303 CD CD . CD H 3 . ? -8.897 13.826 20.002 1.0 49.46 ? 986 CD H CD 1 986 . A HETATM 3304 CD CD . CD HA 3 . ? -13.826 8.897 45.595 1.0 49.46 ? 986 CD HA CD 1 986 . A HETATM 3305 CD CD . CD I 3 . ? -0.782 28.393 35.956 1.0 25.41 ? 987 CD I CD 1 987 . A HETATM 3306 CD CD . CD IA 3 . ? -28.393 0.782 29.641 1.0 25.41 ? 987 CD IA CD 1 987 . A HETATM 3307 CD CD . CD J 3 . ? 19.743 14.230 9.381 1.0 12.6 ? 988 CD J CD 1 988 . A HETATM 3308 CD CD . CD JA 3 . ? -14.230 -19.743 56.216 1.0 12.6 ? 988 CD JA CD 1 988 . A HETATM 3309 CD CD . CD K 3 . ? 0.333 28.604 -0.122 1.0 19.95 ? 989 CD K CD 1 989 . A HETATM 3310 CD CD . CD KA 3 . ? -28.604 -0.333 65.719 1.0 19.95 ? 989 CD KA CD 1 989 . A HETATM 3311 CD CD . CD L 3 . ? -2.524 2.550 32.844 0.5 11.19 ? 990 CD L CD 1 990 . A HETATM 3312 CD CD . CD LA 3 . ? -2.550 2.524 32.753 0.5 11.19 ? 990 CD LA CD 1 990 . A HETATM 3313 CD CD . CD M 3 . ? -5.559 5.804 31.495 1.0 33.86 ? 991 CD M CD 1 991 . A HETATM 3314 CD CD . CD MA 3 . ? -5.804 5.559 34.102 1.0 33.86 ? 991 CD MA CD 1 991 . A HETATM 3315 O O . HOH N 4 . ? 22.690 24.171 15.324 1.0 13.3 ? 301 HOH N O 1 301 . A HETATM 3316 O O . HOH N 4 . ? 20.528 24.710 13.799 1.0 8.33 ? 302 HOH N O 1 302 . A HETATM 3317 O O . HOH N 4 . ? 20.866 25.359 10.871 1.0 19.07 ? 303 HOH N O 1 303 . A HETATM 3318 O O . HOH N 4 . ? 12.154 -3.215 16.093 1.0 7.81 ? 304 HOH N O 1 304 . A HETATM 3319 O O . HOH N 4 . ? 11.333 2.782 11.665 1.0 10.15 ? 305 HOH N O 1 305 . A HETATM 3320 O O . HOH N 4 . ? 12.622 29.278 7.009 1.0 16.86 ? 306 HOH N O 1 306 . A HETATM 3321 O O . HOH N 4 . ? 14.065 31.015 7.954 1.0 18.09 ? 307 HOH N O 1 307 . A HETATM 3322 O O . HOH N 4 . ? 10.250 32.199 6.506 1.0 25.43 ? 308 HOH N O 1 308 . A HETATM 3323 O O . HOH N 4 . ? 10.409 -0.104 10.216 1.0 24.18 ? 309 HOH N O 1 309 . A HETATM 3324 O O . HOH N 4 . ? 13.991 -2.451 8.438 1.0 17.93 ? 310 HOH N O 1 310 . A HETATM 3325 O O . HOH N 4 . ? 16.716 0.032 7.780 1.0 10.21 ? 311 HOH N O 1 311 . A HETATM 3326 O O . HOH N 4 . ? 8.891 16.195 -0.219 1.0 14.63 ? 312 HOH N O 1 312 . A HETATM 3327 O O . HOH N 4 . ? 19.872 0.417 12.283 1.0 8.89 ? 313 HOH N O 1 313 . A HETATM 3328 O O . HOH N 4 . ? 4.140 30.037 19.672 1.0 11.16 ? 314 HOH N O 1 314 . A HETATM 3329 O O . HOH N 4 . ? -10.787 29.128 22.055 1.0 25.48 ? 315 HOH N O 1 315 . A HETATM 3330 O O . HOH N 4 . ? 5.906 33.355 20.745 1.0 23.86 ? 316 HOH N O 1 316 . A HETATM 3331 O O . HOH N 4 . ? 1.721 31.736 19.435 1.0 27.42 ? 317 HOH N O 1 317 . A HETATM 3332 O O . HOH N 4 . ? -8.529 22.280 21.273 1.0 11.08 ? 318 HOH N O 1 318 . A HETATM 3333 O O . HOH N 4 . ? -3.381 35.540 20.956 1.0 13.48 ? 319 HOH N O 1 319 . A HETATM 3334 O O . HOH N 4 . ? 0.571 32.388 21.659 1.0 18.35 ? 320 HOH N O 1 320 . A HETATM 3335 O O . HOH N 4 . ? 20.343 -1.776 8.824 1.0 12.87 ? 321 HOH N O 1 321 . A HETATM 3336 O O . HOH N 4 . ? 2.211 28.991 27.937 1.0 15.84 ? 322 HOH N O 1 322 . A HETATM 3337 O O . HOH N 4 . ? -7.345 7.100 24.853 1.0 20.14 ? 323 HOH N O 1 323 . A HETATM 3338 O O . HOH N 4 . ? -2.129 13.332 27.706 1.0 12.57 ? 324 HOH N O 1 324 . A HETATM 3339 O O . HOH N 4 . ? 3.870 22.678 33.443 1.0 8.82 ? 325 HOH N O 1 325 . A HETATM 3340 O O . HOH N 4 . ? 14.247 22.049 32.059 1.0 12.33 ? 326 HOH N O 1 326 . A HETATM 3341 O O . HOH N 4 . ? 24.370 4.146 25.870 1.0 23.25 ? 327 HOH N O 1 327 . A HETATM 3342 O O . HOH N 4 . ? 17.752 6.135 33.401 1.0 17.25 ? 328 HOH N O 1 328 . A HETATM 3343 O O . HOH N 4 . ? 12.586 11.969 39.939 1.0 47.48 ? 329 HOH N O 1 329 . A HETATM 3344 O O . HOH N 4 . ? 27.425 7.766 31.720 1.0 44.42 ? 330 HOH N O 1 330 . A HETATM 3345 O O . HOH N 4 . ? 19.107 4.387 24.116 1.0 14.08 ? 331 HOH N O 1 331 . A HETATM 3346 O O . HOH N 4 . ? 20.199 4.190 21.790 1.0 25.47 ? 332 HOH N O 1 332 . A HETATM 3347 O O . HOH N 4 . ? 29.441 9.588 27.518 1.0 30.23 ? 333 HOH N O 1 333 . A HETATM 3348 O O . HOH N 4 . ? -0.496 13.967 38.422 1.0 41.4 ? 334 HOH N O 1 334 . A HETATM 3349 O O . HOH N 4 . ? 1.166 18.022 37.314 1.0 16.04 ? 335 HOH N O 1 335 . A HETATM 3350 O O . HOH N 4 . ? 2.954 18.688 39.467 1.0 19.45 ? 336 HOH N O 1 336 . A HETATM 3351 O O . HOH N 4 . ? 5.642 16.794 42.826 1.0 35.94 ? 337 HOH N O 1 337 . A HETATM 3352 O O . HOH N 4 . ? 4.995 17.070 39.592 1.0 21.35 ? 338 HOH N O 1 338 . A HETATM 3353 O O . HOH N 4 . ? 1.311 10.312 43.869 1.0 44.35 ? 339 HOH N O 1 339 . A HETATM 3354 O O . HOH N 4 . ? -2.886 17.356 29.881 1.0 22.87 ? 340 HOH N O 1 340 . A HETATM 3355 O O . HOH N 4 . ? -2.133 22.145 28.852 1.0 18.43 ? 341 HOH N O 1 341 . A HETATM 3356 O O . HOH N 4 . ? -4.522 20.222 30.914 1.0 30.67 ? 342 HOH N O 1 342 . A HETATM 3357 O O . HOH N 4 . ? 29.066 4.021 21.227 1.0 28.02 ? 343 HOH N O 1 343 . A HETATM 3358 O O . HOH N 4 . ? 23.217 11.420 7.540 1.0 38.53 ? 344 HOH N O 1 344 . A HETATM 3359 O O . HOH N 4 . ? 17.449 6.298 10.984 1.0 8.48 ? 345 HOH N O 1 345 . A HETATM 3360 O O . HOH N 4 . ? 17.788 2.814 8.667 1.0 10.49 ? 346 HOH N O 1 346 . A HETATM 3361 O O . HOH N 4 . ? -8.088 16.409 26.613 1.0 18.55 ? 347 HOH N O 1 347 . A HETATM 3362 O O . HOH N 4 . ? 17.759 28.191 27.510 1.0 5.29 ? 348 HOH N O 1 348 . A HETATM 3363 O O . HOH N 4 . ? 14.783 30.168 27.510 1.0 15.41 ? 349 HOH N O 1 349 . A HETATM 3364 O O . HOH N 4 . ? 11.153 21.774 32.318 1.0 24.61 ? 350 HOH N O 1 350 . A HETATM 3365 O O . HOH N 4 . ? 11.619 19.008 34.186 1.0 18.3 ? 351 HOH N O 1 351 . A HETATM 3366 O O . HOH N 4 . ? 24.143 21.868 24.405 1.0 17.47 ? 352 HOH N O 1 352 . A HETATM 3367 O O . HOH N 4 . ? 21.480 16.875 7.208 1.0 8.17 ? 353 HOH N O 1 353 . A HETATM 3368 O O . HOH N 4 . ? 19.658 11.879 9.189 1.0 16.82 ? 354 HOH N O 1 354 . A HETATM 3369 O O . HOH N 4 . ? 19.344 16.613 8.567 1.0 8.81 ? 355 HOH N O 1 355 . A HETATM 3370 O O . HOH N 4 . ? 18.594 13.292 7.542 1.0 24.37 ? 356 HOH N O 1 356 . A HETATM 3371 O O . HOH N 4 . ? 8.961 2.844 10.002 1.0 35.13 ? 357 HOH N O 1 357 . A HETATM 3372 O O . HOH N 4 . ? 5.987 21.639 1.718 1.0 7.72 ? 358 HOH N O 1 358 . A HETATM 3373 O O . HOH N 4 . ? 6.460 19.518 -0.171 1.0 15.14 ? 359 HOH N O 1 359 . A HETATM 3374 O O . HOH N 4 . ? -6.982 17.553 10.369 1.0 11.29 ? 360 HOH N O 1 360 . A HETATM 3375 O O . HOH N 4 . ? -8.763 16.269 12.217 1.0 17.33 ? 361 HOH N O 1 361 . A HETATM 3376 O O . HOH N 4 . ? -2.163 17.689 2.105 1.0 14.51 ? 362 HOH N O 1 362 . A HETATM 3377 O O . HOH N 4 . ? 2.001 14.213 -0.011 1.0 16.98 ? 363 HOH N O 1 363 . A HETATM 3378 O O . HOH N 4 . ? 0.352 11.581 2.913 1.0 40.26 ? 364 HOH N O 1 364 . A HETATM 3379 O O . HOH N 4 . ? 0.081 19.583 5.678 1.0 6.49 ? 365 HOH N O 1 365 . A HETATM 3380 O O . HOH N 4 . ? 0.761 12.102 5.671 1.0 13.58 ? 366 HOH N O 1 366 . A HETATM 3381 O O . HOH N 4 . ? -4.167 9.523 8.928 1.0 30.03 ? 367 HOH N O 1 367 . A HETATM 3382 O O . HOH N 4 . ? 3.562 22.370 6.010 1.0 4.19 ? 368 HOH N O 1 368 . A HETATM 3383 O O . HOH N 4 . ? 5.057 17.161 0.398 1.0 10.69 ? 369 HOH N O 1 369 . A HETATM 3384 O O . HOH N 4 . ? 2.211 15.912 -3.825 1.0 2.75 ? 370 HOH N O 1 370 . A HETATM 3385 O O . HOH N 4 . ? -8.068 17.132 2.853 1.0 20.29 ? 371 HOH N O 1 371 . A HETATM 3386 O O . HOH N 4 . ? -9.016 17.560 5.709 1.0 25.12 ? 372 HOH N O 1 372 . A HETATM 3387 O O . HOH N 4 . ? -12.917 11.478 9.267 1.0 46.58 ? 373 HOH N O 1 373 . A HETATM 3388 O O . HOH N 4 . ? -5.715 20.594 4.412 1.0 12.49 ? 374 HOH N O 1 374 . A HETATM 3389 O O . HOH N 4 . ? 2.737 21.124 -1.132 1.0 11.23 ? 375 HOH N O 1 375 . A HETATM 3390 O O . HOH N 4 . ? 8.967 27.732 -4.045 1.0 36.52 ? 376 HOH N O 1 376 . A HETATM 3391 O O . HOH N 4 . ? 9.682 19.072 -3.587 1.0 38.25 ? 377 HOH N O 1 377 . A HETATM 3392 O O . HOH N 4 . ? 4.185 -1.665 26.889 1.0 20.61 ? 378 HOH N O 1 378 . A HETATM 3393 O O . HOH N 4 . ? 4.877 0.702 30.172 1.0 18.09 ? 379 HOH N O 1 379 . A HETATM 3394 O O . HOH N 4 . ? -1.106 27.318 -1.837 1.0 7.68 ? 380 HOH N O 1 380 . A HETATM 3395 O O . HOH N 4 . ? 13.084 17.170 -1.154 1.0 17.74 ? 381 HOH N O 1 381 . A HETATM 3396 O O . HOH N 4 . ? 2.915 35.991 16.367 1.0 40.26 ? 382 HOH N O 1 382 . A HETATM 3397 O O . HOH N 4 . ? 5.922 28.807 11.433 1.0 8.51 ? 383 HOH N O 1 383 . A HETATM 3398 O O . HOH N 4 . ? 3.734 28.776 9.710 1.0 8.13 ? 384 HOH N O 1 384 . A HETATM 3399 O O . HOH N 4 . ? 2.997 31.201 8.399 1.0 13.6 ? 385 HOH N O 1 385 . A HETATM 3400 O O . HOH N 4 . ? 1.285 26.699 0.830 1.0 1.0 ? 386 HOH N O 1 386 . A HETATM 3401 O O . HOH N 4 . ? 12.370 20.619 2.372 1.0 11.37 ? 387 HOH N O 1 387 . A HETATM 3402 O O . HOH N 4 . ? 3.323 29.049 4.350 1.0 15.03 ? 388 HOH N O 1 388 . A HETATM 3403 O O . HOH N 4 . ? -9.843 23.636 6.867 1.0 16.62 ? 389 HOH N O 1 389 . A HETATM 3404 O O . HOH N 4 . ? -9.867 21.902 4.466 1.0 24.07 ? 390 HOH N O 1 390 . A HETATM 3405 O O . HOH N 4 . ? -4.635 23.921 1.439 1.0 26.52 ? 391 HOH N O 1 391 . A HETATM 3406 O O . HOH N 4 . ? -3.234 31.767 5.776 1.0 29.07 ? 392 HOH N O 1 392 . A HETATM 3407 O O . HOH N 4 . ? -10.642 14.761 8.912 1.0 29.39 ? 393 HOH N O 1 393 . A HETATM 3408 O O . HOH N 4 . ? -11.322 15.425 11.529 1.0 23.62 ? 394 HOH N O 1 394 . A HETATM 3409 O O . HOH N 4 . ? -9.664 29.586 13.689 1.0 23.68 ? 395 HOH N O 1 395 . A HETATM 3410 O O . HOH N 4 . ? -8.861 28.673 9.737 1.0 18.99 ? 396 HOH N O 1 396 . A HETATM 3411 O O . HOH N 4 . ? -12.771 29.449 19.347 1.0 38.1 ? 397 HOH N O 1 397 . A HETATM 3412 O O . HOH N 4 . ? -15.412 14.746 22.936 1.0 46.51 ? 398 HOH N O 1 398 . A HETATM 3413 O O . HOH N 4 . ? -12.983 25.086 17.498 1.0 32.68 ? 399 HOH N O 1 399 . A HETATM 3414 O O . HOH N 4 . ? 0.921 39.116 17.860 1.0 39.93 ? 400 HOH N O 1 400 . A HETATM 3415 O O . HOH N 4 . ? -2.793 34.751 11.688 1.0 26.83 ? 401 HOH N O 1 401 . A HETATM 3416 O O . HOH N 4 . ? -10.305 33.481 17.009 1.0 41.12 ? 402 HOH N O 1 402 . A HETATM 3417 O O . HOH N 4 . ? -11.981 27.255 15.772 1.0 29.4 ? 403 HOH N O 1 403 . A HETATM 3418 O O . HOH N 4 . ? -7.909 33.360 21.442 1.0 21.09 ? 404 HOH N O 1 404 . A HETATM 3419 O O . HOH N 4 . ? 2.118 26.354 27.072 1.0 8.82 ? 405 HOH N O 1 405 . A HETATM 3420 O O . HOH N 4 . ? 4.293 24.216 30.951 1.0 18.32 ? 406 HOH N O 1 406 . A HETATM 3421 O O . HOH N 4 . ? 4.534 26.803 32.150 1.0 16.02 ? 407 HOH N O 1 407 . A HETATM 3422 O O . HOH N 4 . ? 16.111 13.632 34.395 1.0 19.24 ? 408 HOH N O 1 408 . A HETATM 3423 O O . HOH N 4 . ? 25.094 6.567 22.219 1.0 13.59 ? 409 HOH N O 1 409 . A HETATM 3424 O O . HOH N 4 . ? 22.158 10.815 12.704 1.0 27.06 ? 410 HOH N O 1 410 . A HETATM 3425 O O . HOH N 4 . ? 20.275 1.507 28.857 1.0 23.31 ? 411 HOH N O 1 411 . A HETATM 3426 O O . HOH N 4 . ? 15.671 16.391 -1.238 1.0 15.9 ? 414 HOH N O 1 414 . A HETATM 3427 O O . HOH N 4 . ? 18.673 17.978 1.393 1.0 17.99 ? 415 HOH N O 1 415 . A HETATM 3428 O O . HOH N 4 . ? 4.962 10.065 11.472 1.0 15.66 ? 416 HOH N O 1 416 . A HETATM 3429 O O . HOH N 4 . ? 4.846 19.874 -2.388 1.0 20.55 ? 417 HOH N O 1 417 . A HETATM 3430 O O . HOH N 4 . ? -6.291 14.355 3.817 1.0 38.04 ? 418 HOH N O 1 418 . A HETATM 3431 O O . HOH N 4 . ? -1.555 7.320 13.112 1.0 17.25 ? 419 HOH N O 1 419 . A HETATM 3432 O O . HOH N 4 . ? 5.511 28.553 -5.897 1.0 42.66 ? 420 HOH N O 1 420 . A HETATM 3433 O O . HOH N 4 . ? 18.306 27.938 2.617 1.0 34.98 ? 421 HOH N O 1 421 . A HETATM 3434 O O . HOH N 4 . ? 19.375 0.737 9.450 1.0 17.68 ? 422 HOH N O 1 422 . A HETATM 3435 O O . HOH N 4 . ? 23.587 21.595 20.221 1.0 26.09 ? 423 HOH N O 1 423 . A HETATM 3436 O O . HOH N 4 . ? 22.019 14.609 8.610 1.0 17.4 ? 424 HOH N O 1 424 . A HETATM 3437 O O . HOH N 4 . ? 22.460 1.508 30.762 1.0 22.67 ? 425 HOH N O 1 425 . A HETATM 3438 O O . HOH N 4 . ? 10.961 -1.588 37.213 1.0 51.5 ? 426 HOH N O 1 426 . A HETATM 3439 O O . HOH N 4 . ? 6.519 29.134 -1.035 1.0 39.67 ? 427 HOH N O 1 427 . A HETATM 3440 O O . HOH N 4 . ? 15.275 20.294 34.047 1.0 19.84 ? 428 HOH N O 1 428 . A HETATM 3441 O O . HOH N 4 . ? 19.757 27.766 29.084 1.0 17.04 ? 429 HOH N O 1 429 . A HETATM 3442 O O . HOH N 4 . ? 8.672 23.089 33.395 1.0 21.53 ? 430 HOH N O 1 430 . A HETATM 3443 O O . HOH N 4 . ? -8.396 27.951 4.091 1.0 21.02 ? 431 HOH N O 1 431 . A HETATM 3444 O O . HOH N 4 . ? -9.394 26.369 6.532 1.0 17.5 ? 432 HOH N O 1 432 . A HETATM 3445 O O . HOH N 4 . ? -6.494 29.452 2.316 1.0 19.13 ? 433 HOH N O 1 433 . A HETATM 3446 O O . HOH N 4 . ? -8.242 20.206 6.078 1.0 14.32 ? 434 HOH N O 1 434 . A HETATM 3447 O O . HOH N 4 . ? -11.612 17.455 5.476 1.0 29.32 ? 435 HOH N O 1 435 . A HETATM 3448 O O . HOH N 4 . ? -3.048 32.282 14.325 1.0 12.71 ? 436 HOH N O 1 436 . A HETATM 3449 O O . HOH N 4 . ? 28.938 4.321 27.650 1.0 50.75 ? 437 HOH N O 1 437 . A HETATM 3450 O O . HOH N 4 . ? -0.495 35.401 23.236 1.0 21.26 ? 438 HOH N O 1 438 . A HETATM 3451 O O . HOH N 4 . ? -4.205 27.490 18.146 1.0 10.35 ? 439 HOH N O 1 439 . A HETATM 3452 O O . HOH N 4 . ? 4.688 31.378 23.031 1.0 33.92 ? 440 HOH N O 1 440 . A HETATM 3453 O O . HOH N 4 . ? -1.554 31.638 10.484 1.0 20.63 ? 441 HOH N O 1 441 . A HETATM 3454 O O . HOH N 4 . ? -7.569 11.441 20.688 1.0 31.08 ? 442 HOH N O 1 442 . A HETATM 3455 O O . HOH N 4 . ? -13.029 20.481 26.009 1.0 37.18 ? 443 HOH N O 1 443 . A HETATM 3456 O O . HOH N 4 . ? -11.111 16.581 25.053 1.0 29.17 ? 444 HOH N O 1 444 . A HETATM 3457 O O . HOH N 4 . ? -6.749 9.561 26.832 1.0 15.94 ? 445 HOH N O 1 445 . A HETATM 3458 O O . HOH N 4 . ? 1.241 1.877 15.017 1.0 32.64 ? 446 HOH N O 1 446 . A HETATM 3459 O O . HOH N 4 . ? 2.954 -0.952 22.495 1.0 23.24 ? 447 HOH N O 1 447 . A HETATM 3460 O O . HOH N 4 . ? -12.829 20.382 7.660 1.0 28.61 ? 448 HOH N O 1 448 . A HETATM 3461 O O . HOH N 4 . ? -5.514 13.966 9.217 1.0 19.11 ? 449 HOH N O 1 449 . A HETATM 3462 O O . HOH N 4 . ? 6.113 0.180 27.520 1.0 12.82 ? 450 HOH N O 1 450 . A HETATM 3463 O O . HOH N 4 . ? 4.883 -1.304 20.595 1.0 15.04 ? 451 HOH N O 1 451 . A HETATM 3464 O O . HOH N 4 . ? 8.313 28.074 3.015 1.0 19.48 ? 452 HOH N O 1 452 . A HETATM 3465 O O . HOH N 4 . ? -5.798 1.881 26.152 1.0 34.78 ? 453 HOH N O 1 453 . A HETATM 3466 O O . HOH N 4 . ? -2.967 3.038 27.432 1.0 38.35 ? 454 HOH N O 1 454 . A HETATM 3467 O O . HOH N 4 . ? -5.383 4.190 29.603 1.0 16.72 ? 455 HOH N O 1 455 . A HETATM 3468 O O . HOH N 4 . ? 8.647 -1.476 27.251 1.0 14.12 ? 456 HOH N O 1 456 . A HETATM 3469 O O . HOH N 4 . ? 25.863 18.286 33.991 1.0 23.43 ? 457 HOH N O 1 457 . A HETATM 3470 O O . HOH N 4 . ? 18.019 25.424 31.837 1.0 40.15 ? 458 HOH N O 1 458 . A HETATM 3471 O O . HOH N 4 . ? 22.572 26.058 17.201 1.0 13.78 ? 459 HOH N O 1 459 . A HETATM 3472 O O . HOH N 4 . ? 25.077 16.418 11.370 1.0 17.69 ? 460 HOH N O 1 460 . A HETATM 3473 O O . HOH N 4 . ? 1.218 20.119 35.447 1.0 37.95 ? 461 HOH N O 1 461 . A HETATM 3474 O O . HOH N 4 . ? 22.014 3.140 25.148 1.0 29.04 ? 462 HOH N O 1 462 . A HETATM 3475 O O . HOH N 4 . ? 22.902 2.784 22.062 1.0 14.62 ? 463 HOH N O 1 463 . A HETATM 3476 O O . HOH N 4 . ? 23.263 0.549 20.429 1.0 17.75 ? 464 HOH N O 1 464 . A HETATM 3477 O O . HOH N 4 . ? 25.035 -1.510 30.202 1.0 22.69 ? 465 HOH N O 1 465 . A HETATM 3478 O O . HOH N 4 . ? 29.521 5.846 29.571 1.0 40.47 ? 466 HOH N O 1 466 . A HETATM 3479 O O . HOH N 4 . ? 27.451 0.845 26.999 1.0 18.88 ? 467 HOH N O 1 467 . A HETATM 3480 O O . HOH N 4 . ? 27.470 3.126 23.517 1.0 24.19 ? 468 HOH N O 1 468 . A HETATM 3481 O O . HOH N 4 . ? 24.950 17.030 17.739 1.0 20.81 ? 469 HOH N O 1 469 . A HETATM 3482 O O . HOH N 4 . ? 36.639 9.671 28.634 1.0 46.22 ? 470 HOH N O 1 470 . A HETATM 3483 O O . HOH N 4 . ? 40.171 13.001 27.197 1.0 42.82 ? 471 HOH N O 1 471 . A HETATM 3484 O O . HOH N 4 . ? 13.130 20.433 34.831 1.0 38.85 ? 472 HOH N O 1 472 . A HETATM 3485 O O . HOH N 4 . ? 21.677 23.697 30.949 1.0 32.92 ? 473 HOH N O 1 473 . A HETATM 3486 O O . HOH N 4 . ? 15.548 27.163 33.171 1.0 26.31 ? 474 HOH N O 1 474 . A HETATM 3487 O O . HOH N 4 . ? 8.390 -1.514 36.353 1.0 45.27 ? 475 HOH N O 1 475 . A HETATM 3488 O O . HOH N 4 . ? 13.826 10.086 35.463 1.0 22.52 ? 476 HOH N O 1 476 . A HETATM 3489 O O . HOH N 4 . ? 16.498 -3.517 33.766 1.0 33.8 ? 477 HOH N O 1 477 . A HETATM 3490 O O . HOH N 4 . ? 11.901 0.485 36.313 1.0 45.51 ? 478 HOH N O 1 478 . A HETATM 3491 O O . HOH N 4 . ? -1.169 13.547 34.815 1.0 24.79 ? 479 HOH N O 1 479 . A HETATM 3492 O O . HOH N 4 . ? 0.520 10.806 40.312 1.0 28.62 ? 480 HOH N O 1 480 . A HETATM 3493 O O . HOH N 4 . ? 5.455 34.040 13.553 1.0 24.7 ? 481 HOH N O 1 481 . A HETATM 3494 O O . HOH N 4 . ? 27.574 10.786 13.173 1.0 45.85 ? 482 HOH N O 1 482 . A HETATM 3495 O O . HOH N 4 . ? 19.714 9.690 10.080 1.0 29.39 ? 483 HOH N O 1 483 . A HETATM 3496 O O . HOH N 4 . ? 22.604 6.649 12.784 1.0 21.57 ? 484 HOH N O 1 484 . A HETATM 3497 O O . HOH N 4 . ? 25.533 19.028 6.239 1.0 46.56 ? 485 HOH N O 1 485 . A HETATM 3498 O O . HOH N 4 . ? 21.417 15.148 5.485 1.0 38.9 ? 486 HOH N O 1 486 . A HETATM 3499 O O . HOH N 4 . ? 19.720 4.889 8.467 1.0 21.26 ? 487 HOH N O 1 487 . A HETATM 3500 O O . HOH N 4 . ? 26.769 19.144 18.635 1.0 35.37 ? 488 HOH N O 1 488 . A HETATM 3501 O O . HOH N 4 . ? 28.551 14.406 20.292 1.0 46.09 ? 489 HOH N O 1 489 . A HETATM 3502 O O . HOH N 4 . ? 10.735 -4.008 7.394 1.0 30.74 ? 490 HOH N O 1 490 . A HETATM 3503 O O . HOH N 4 . ? 7.658 11.292 -1.124 1.0 30.76 ? 491 HOH N O 1 491 . A HETATM 3504 O O . HOH N 4 . ? 8.177 7.989 9.649 1.0 11.4 ? 492 HOH N O 1 492 . A HETATM 3505 O O . HOH N 4 . ? 22.497 8.387 8.784 1.0 38.91 ? 493 HOH N O 1 493 . A HETATM 3506 O O . HOH N 4 . ? -8.310 16.217 8.066 1.0 19.52 ? 495 HOH N O 1 495 . A HETATM 3507 O O . HOH N 4 . ? -13.685 25.529 22.699 1.0 29.91 ? 496 HOH N O 1 496 . A HETATM 3508 O O . HOH N 4 . ? -3.927 5.903 15.910 1.0 37.89 ? 497 HOH N O 1 497 . A HETATM 3509 O O . HOH N 4 . ? 0.729 0.111 21.248 1.0 23.52 ? 498 HOH N O 1 498 . A HETATM 3510 O O . HOH N 4 . ? 2.422 -0.390 30.465 1.0 24.06 ? 499 HOH N O 1 499 . A HETATM 3511 O O . HOH N 4 . ? 31.076 28.454 12.062 1.0 48.25 ? 500 HOH N O 1 500 . A HETATM 3512 O O . HOH N 4 . ? 3.394 11.966 1.455 1.0 14.12 ? 501 HOH N O 1 501 . A HETATM 3513 O O . HOH N 4 . ? 7.670 26.836 -1.735 1.0 23.36 ? 502 HOH N O 1 502 . A HETATM 3514 O O . HOH N 4 . ? 16.834 24.261 6.978 1.0 21.4 ? 503 HOH N O 1 503 . A HETATM 3515 O O . HOH N 4 . ? 0.824 31.418 27.490 1.0 31.06 ? 504 HOH N O 1 504 . A HETATM 3516 O O . HOH N 4 . ? -8.037 29.740 24.207 1.0 28.47 ? 505 HOH N O 1 505 . A HETATM 3517 O O . HOH N 4 . ? 12.555 11.528 37.038 1.0 38.05 ? 506 HOH N O 1 506 . A HETATM 3518 O O . HOH N 4 . ? -10.435 34.052 19.730 1.0 39.82 ? 507 HOH N O 1 507 . A HETATM 3519 O O . HOH N 4 . ? 2.334 10.224 6.899 1.0 18.04 ? 508 HOH N O 1 508 . A HETATM 3520 O O . HOH N 4 . ? 27.635 7.378 21.555 1.0 24.09 ? 509 HOH N O 1 509 . A HETATM 3521 O O . HOH N 4 . ? 27.895 8.821 19.566 1.0 32.74 ? 510 HOH N O 1 510 . A HETATM 3522 O O . HOH N 4 . ? 10.451 21.264 34.878 1.0 28.15 ? 511 HOH N O 1 511 . A HETATM 3523 O O . HOH N 4 . ? 0.233 3.884 36.551 1.0 25.4 ? 512 HOH N O 1 512 . A HETATM 3524 O O . HOH N 4 . ? -15.894 20.940 4.742 1.0 41.23 ? 513 HOH N O 1 513 . A HETATM 3525 O O . HOH N 4 . ? -8.128 12.502 15.408 1.0 37.2 ? 514 HOH N O 1 514 . A HETATM 3526 O O . HOH N 4 . ? -17.792 16.651 15.300 1.0 45.58 ? 515 HOH N O 1 515 . A HETATM 3527 O O . HOH N 4 . ? -0.861 4.570 13.429 1.0 38.31 ? 516 HOH N O 1 516 . A HETATM 3528 O O . HOH N 4 . ? 6.698 4.609 6.398 1.0 44.88 ? 517 HOH N O 1 517 . A HETATM 3529 O O . HOH N 4 . ? 1.910 5.868 9.950 1.0 26.79 ? 518 HOH N O 1 518 . A HETATM 3530 O O . HOH N 4 . ? 5.478 -1.534 12.919 1.0 29.12 ? 519 HOH N O 1 519 . A HETATM 3531 O O . HOH N 4 . ? 24.020 25.208 19.307 1.0 29.02 ? 520 HOH N O 1 520 . A HETATM 3532 O O . HOH N 4 . ? -7.165 14.143 13.031 1.0 24.95 ? 521 HOH N O 1 521 . A HETATM 3533 O O . HOH N 4 . ? -6.163 9.682 11.297 1.0 39.25 ? 522 HOH N O 1 522 . A HETATM 3534 O O . HOH N 4 . ? -8.331 17.850 29.299 1.0 41.64 ? 523 HOH N O 1 523 . A HETATM 3535 O O . HOH N 4 . ? -8.305 6.838 11.398 1.0 45.09 ? 524 HOH N O 1 524 . A HETATM 3536 O O . HOH N 4 . ? 41.567 8.380 28.822 1.0 47.58 ? 526 HOH N O 1 526 . A HETATM 3537 O O . HOH N 4 . ? -13.019 21.405 5.063 1.0 40.04 ? 527 HOH N O 1 527 . A HETATM 3538 O O . HOH N 4 . ? 25.532 15.224 34.141 1.0 31.7 ? 528 HOH N O 1 528 . A HETATM 3539 O O . HOH N 4 . ? 21.633 8.375 37.044 1.0 45.86 ? 529 HOH N O 1 529 . A HETATM 3540 O O . HOH N 4 . ? 22.722 23.229 22.323 1.0 26.58 ? 530 HOH N O 1 530 . A HETATM 3541 O O . HOH N 4 . ? -6.948 13.888 6.824 1.0 41.57 ? 531 HOH N O 1 531 . A HETATM 3542 O O . HOH N 4 . ? 23.924 18.152 36.619 1.0 48.85 ? 532 HOH N O 1 532 . A HETATM 3543 O O . HOH N 4 . ? 28.832 24.200 19.922 1.0 45.0 ? 533 HOH N O 1 533 . A HETATM 3544 O O . HOH N 4 . ? 26.202 21.908 12.991 1.0 22.82 ? 534 HOH N O 1 534 . A HETATM 3545 O O . HOH N 4 . ? 32.409 18.529 16.613 1.0 46.98 ? 535 HOH N O 1 535 . A HETATM 3546 O O . HOH N 4 . ? 21.935 19.797 6.943 1.0 36.09 ? 536 HOH N O 1 536 . A HETATM 3547 O O . HOH N 4 . ? 22.962 18.699 3.405 1.0 43.59 ? 537 HOH N O 1 537 . A HETATM 3548 O O . HOH N 4 . ? 13.387 29.653 3.130 1.0 27.31 ? 538 HOH N O 1 538 . A HETATM 3549 O O . HOH N 4 . ? 13.190 26.961 1.851 1.0 17.12 ? 539 HOH N O 1 539 . A HETATM 3550 O O . HOH N 4 . ? 14.967 27.940 5.916 1.0 27.05 ? 540 HOH N O 1 540 . A HETATM 3551 O O . HOH N 4 . ? 25.253 26.444 11.665 1.0 32.57 ? 541 HOH N O 1 541 . A HETATM 3552 O O . HOH N 4 . ? 14.617 24.380 -2.116 1.0 29.62 ? 542 HOH N O 1 542 . A HETATM 3553 O O . HOH N 4 . ? 9.379 10.834 4.515 1.0 19.66 ? 543 HOH N O 1 543 . A HETATM 3554 O O . HOH N 4 . ? 5.986 -3.565 30.227 1.0 35.91 ? 544 HOH N O 1 544 . A HETATM 3555 O O . HOH N 4 . ? 9.866 3.268 34.551 1.0 26.51 ? 545 HOH N O 1 545 . A HETATM 3556 O O . HOH N 4 . ? 6.758 15.619 -2.277 1.0 17.44 ? 546 HOH N O 1 546 . A HETATM 3557 O O . HOH N 4 . ? 11.481 18.506 0.762 1.0 17.0 ? 547 HOH N O 1 547 . A HETATM 3558 O O . HOH N 4 . ? 8.981 18.774 -0.870 1.0 20.29 ? 548 HOH N O 1 548 . A HETATM 3559 O O . HOH N 4 . ? 1.507 22.204 -8.499 1.0 25.49 ? 549 HOH N O 1 549 . A HETATM 3560 O O . HOH N 4 . ? 2.122 28.775 -1.865 1.0 28.59 ? 550 HOH N O 1 550 . A HETATM 3561 O O . HOH N 4 . ? 2.011 29.105 0.567 1.0 15.84 ? 551 HOH N O 1 551 . A HETATM 3562 O O . HOH N 4 . ? -0.326 30.697 -0.801 1.0 21.77 ? 552 HOH N O 1 552 . A HETATM 3563 O O . HOH N 4 . ? 25.905 9.157 17.756 1.0 27.07 ? 553 HOH N O 1 553 . A HETATM 3564 O O . HOH N 4 . ? 23.075 9.347 14.814 1.0 33.94 ? 554 HOH N O 1 554 . A HETATM 3565 O O . HOH N 4 . ? 30.780 10.444 32.727 1.0 42.06 ? 555 HOH N O 1 555 . A HETATM 3566 O O . HOH N 4 . ? 27.189 22.717 20.976 1.0 42.07 ? 556 HOH N O 1 556 . A HETATM 3567 O O . HOH N 4 . ? 12.081 28.073 14.536 1.0 21.96 ? 557 HOH N O 1 557 . A HETATM 3568 O O . HOH N 4 . ? 8.309 8.060 38.407 1.0 41.11 ? 558 HOH N O 1 558 . A HETATM 3569 O O . HOH N 4 . ? 36.173 22.968 38.537 1.0 44.24 ? 559 HOH N O 1 559 . A HETATM 3570 O O . HOH N 4 . ? 27.501 24.054 33.236 1.0 45.3 ? 560 HOH N O 1 560 . A HETATM 3571 O O . HOH N 4 . ? 12.059 13.990 35.061 1.0 35.19 ? 561 HOH N O 1 561 . A HETATM 3572 O O . HOH N 4 . ? 17.169 6.986 36.054 1.0 36.94 ? 562 HOH N O 1 562 . A HETATM 3573 O O . HOH N 4 . ? 12.268 8.321 34.229 1.0 36.01 ? 563 HOH N O 1 563 . A HETATM 3574 O O . HOH N 4 . ? 28.291 24.401 41.033 1.0 43.64 ? 564 HOH N O 1 564 . A HETATM 3575 O O . HOH N 4 . ? 39.134 8.702 29.298 1.0 50.65 ? 565 HOH N O 1 565 . A HETATM 3576 O O . HOH N 4 . ? 31.151 15.596 30.428 1.0 38.78 ? 566 HOH N O 1 566 . A HETATM 3577 O O . HOH N 4 . ? 24.538 11.880 36.890 1.0 45.84 ? 567 HOH N O 1 567 . A HETATM 3578 O O . HOH N 4 . ? -2.718 37.161 24.280 1.0 47.36 ? 568 HOH N O 1 568 . A HETATM 3579 O O . HOH N 4 . ? 21.206 29.653 30.593 1.0 40.54 ? 569 HOH N O 1 569 . A HETATM 3580 O O . HOH N 4 . ? -3.485 7.314 10.903 1.0 40.99 ? 570 HOH N O 1 570 . A HETATM 3581 O O . HOH N 4 . ? -6.758 14.326 19.672 1.0 19.16 ? 571 HOH N O 1 571 . A HETATM 3582 O O . HOH N 4 . ? -16.768 28.074 25.430 1.0 44.17 ? 572 HOH N O 1 572 . A HETATM 3583 O O . HOH N 4 . ? -14.556 25.786 14.259 1.0 38.41 ? 573 HOH N O 1 573 . A HETATM 3584 O O . HOH N 4 . ? -12.275 27.067 19.093 1.0 46.47 ? 574 HOH N O 1 574 . A HETATM 3585 O O . HOH N 4 . ? -2.916 14.362 30.005 1.0 34.04 ? 575 HOH N O 1 575 . A HETATM 3586 O O . HOH N 4 . ? -2.984 -1.169 21.953 1.0 43.34 ? 576 HOH N O 1 576 . A HETATM 3587 O O . HOH N 4 . ? -8.720 16.705 33.714 1.0 44.55 ? 577 HOH N O 1 577 . A HETATM 3588 O O . HOH N 4 . ? 2.783 1.590 17.278 1.0 35.26 ? 578 HOH N O 1 578 . A HETATM 3589 O O . HOH N 4 . ? -8.643 3.195 26.772 1.0 39.47 ? 579 HOH N O 1 579 . A HETATM 3590 O O . HOH N 4 . ? -13.707 28.081 10.703 1.0 39.97 ? 580 HOH N O 1 580 . A HETATM 3591 O O . HOH N 4 . ? -11.675 29.140 8.855 1.0 36.82 ? 581 HOH N O 1 581 . A HETATM 3592 O O . HOH N 4 . ? -14.198 17.718 8.352 1.0 39.74 ? 582 HOH N O 1 582 . A HETATM 3593 O O . HOH N 4 . ? 25.012 1.227 30.432 1.0 24.97 ? 583 HOH N O 1 583 . A HETATM 3594 O O . HOH N 4 . ? 27.962 6.925 35.394 1.0 42.72 ? 584 HOH N O 1 584 . A HETATM 3595 O O . HOH N 4 . ? -6.679 31.207 26.393 1.0 35.64 ? 585 HOH N O 1 585 . A HETATM 3596 O O . HOH N 4 . ? 1.387 14.738 39.661 1.0 39.52 ? 586 HOH N O 1 586 . A HETATM 3597 O O . HOH N 4 . ? -4.344 4.150 17.434 1.0 42.08 ? 587 HOH N O 1 587 . A HETATM 3598 O O . HOH N 4 . ? -9.858 15.751 28.824 1.0 40.07 ? 588 HOH N O 1 588 . A HETATM 3599 O O . HOH N 4 . ? -13.513 13.262 22.225 1.0 41.31 ? 589 HOH N O 1 589 . A HETATM 3600 O O . HOH N 4 . ? 1.537 -4.631 25.262 1.0 46.06 ? 590 HOH N O 1 590 . A HETATM 3601 O O . HOH N 4 . ? 3.781 3.665 9.450 1.0 40.68 ? 591 HOH N O 1 591 . A HETATM 3602 O O . HOH N 4 . ? -19.130 19.594 17.482 1.0 47.92 ? 592 HOH N O 1 592 . A HETATM 3603 O O . HOH N 4 . ? -17.591 18.992 11.200 1.0 42.07 ? 593 HOH N O 1 593 . A HETATM 3604 O O . HOH N 4 . ? -8.289 28.557 26.767 1.0 35.84 ? 594 HOH N O 1 594 . A HETATM 3605 O O . HOH N 4 . ? 28.214 16.974 44.421 1.0 46.89 ? 595 HOH N O 1 595 . A HETATM 3606 O O . HOH N 4 . ? 19.366 12.506 39.707 1.0 45.18 ? 596 HOH N O 1 596 . A HETATM 3607 O O . HOH N 4 . ? 24.503 3.251 33.584 1.0 44.53 ? 597 HOH N O 1 597 . A HETATM 3608 O O . HOH N 4 . ? -0.304 29.930 4.922 1.0 36.08 ? 598 HOH N O 1 598 . A HETATM 3609 O O . HOH N 4 . ? 12.525 23.558 -3.652 1.0 41.53 ? 599 HOH N O 1 599 . A HETATM 3610 O O . HOH N 4 . ? 26.350 25.645 15.576 1.0 40.86 ? 600 HOH N O 1 600 . A HETATM 3611 O O . HOH N 4 . ? 25.387 20.505 22.479 1.0 42.8 ? 601 HOH N O 1 601 . A HETATM 3612 O O . HOH N 4 . ? 26.503 23.281 25.890 1.0 43.16 ? 602 HOH N O 1 602 . A HETATM 3613 O O . HOH N 4 . ? 24.779 24.324 13.752 1.0 22.94 ? 603 HOH N O 1 603 . A HETATM 3614 O O . HOH N 4 . ? 28.373 26.346 12.573 1.0 41.0 ? 604 HOH N O 1 604 . A HETATM 3615 O O . HOH N 4 . ? 23.611 16.689 5.975 1.0 37.31 ? 605 HOH N O 1 605 . A HETATM 3616 O O . HOH N 4 . ? 14.228 28.391 8.555 1.0 29.03 ? 606 HOH N O 1 606 . A HETATM 3617 O O . HOH N 4 . ? 12.968 30.201 13.018 1.0 24.2 ? 607 HOH N O 1 607 . A HETATM 3618 O O . HOH N 4 . ? 22.506 18.301 8.826 1.0 22.93 ? 608 HOH N O 1 608 . A HETATM 3619 O O . HOH N 4 . ? 30.649 3.927 31.740 1.0 40.7 ? 609 HOH N O 1 609 . A HETATM 3620 O O . HOH N 4 . ? 19.566 3.018 42.986 1.0 38.91 ? 610 HOH N O 1 610 . A HETATM 3621 O O . HOH N 4 . ? 7.223 0.380 10.440 1.0 29.38 ? 611 HOH N O 1 611 . A HETATM 3622 O O . HOH N 4 . ? 9.035 5.424 9.034 1.0 15.28 ? 612 HOH N O 1 612 . A HETATM 3623 O O . HOH N 4 . ? 0.260 2.092 29.573 1.0 18.67 ? 613 HOH N O 1 613 . A HETATM 3624 O O . HOH N 4 . ? 2.004 -2.615 28.873 1.0 27.49 ? 614 HOH N O 1 614 . A HETATM 3625 O O . HOH N 4 . ? 1.781 5.126 39.556 1.0 33.54 ? 615 HOH N O 1 615 . A HETATM 3626 O O . HOH N 4 . ? 9.780 0.973 33.115 1.0 36.15 ? 616 HOH N O 1 616 . A HETATM 3627 O O . HOH N 4 . ? -0.748 0.764 32.788 0.5 7.8 ? 617 HOH N O 1 617 . A HETATM 3628 O O . HOH N 4 . ? -1.244 3.415 34.958 1.0 12.13 ? 618 HOH N O 1 618 . A HETATM 3629 O O . HOH N 4 . ? -6.566 13.562 27.564 1.0 29.93 ? 619 HOH N O 1 619 . A HETATM 3630 O O . HOH N 4 . ? -11.335 20.003 32.329 1.0 40.74 ? 620 HOH N O 1 620 . A HETATM 3631 O O . HOH N 4 . ? -10.196 22.226 33.926 1.0 37.28 ? 621 HOH N O 1 621 . A HETATM 3632 O O . HOH N 4 . ? -13.484 18.678 29.164 1.0 37.0 ? 622 HOH N O 1 622 . A HETATM 3633 O O . HOH N 4 . ? -7.401 14.546 34.055 1.0 36.37 ? 623 HOH N O 1 623 . A HETATM 3634 O O . HOH N 4 . ? -8.806 26.551 30.333 1.0 35.02 ? 624 HOH N O 1 624 . A HETATM 3635 O O . HOH N 4 . ? -11.109 28.071 27.148 1.0 38.17 ? 625 HOH N O 1 625 . A HETATM 3636 O O . HOH N 4 . ? -12.675 27.659 23.580 1.0 30.31 ? 626 HOH N O 1 626 . A HETATM 3637 O O . HOH N 4 . ? -14.430 24.075 24.457 1.0 34.52 ? 627 HOH N O 1 627 . A HETATM 3638 O O . HOH N 4 . ? -15.898 21.208 20.175 1.0 30.33 ? 628 HOH N O 1 628 . A HETATM 3639 O O . HOH N 4 . ? -20.021 30.193 22.188 1.0 41.81 ? 629 HOH N O 1 629 . A HETATM 3640 O O . HOH N 4 . ? -17.851 22.541 31.983 1.0 39.87 ? 630 HOH N O 1 630 . A HETATM 3641 O O . HOH N 4 . ? 40.239 15.903 26.310 1.0 37.26 ? 631 HOH N O 1 631 . A HETATM 3642 O O . HOH N 4 . ? -14.321 23.407 26.999 1.0 31.01 ? 632 HOH N O 1 632 . A HETATM 3643 O O . HOH N 4 . ? -10.379 14.595 23.291 1.0 38.05 ? 633 HOH N O 1 633 . A HETATM 3644 O O . HOH N 4 . ? -8.188 12.614 24.665 1.0 37.9 ? 634 HOH N O 1 634 . A HETATM 3645 O O . HOH N 4 . ? -11.930 13.807 13.229 1.0 34.37 ? 635 HOH N O 1 635 . A HETATM 3646 O O . HOH N 4 . ? -15.663 14.538 10.976 1.0 35.9 ? 636 HOH N O 1 636 . A HETATM 3647 O O . HOH N 4 . ? -10.601 11.596 11.990 1.0 36.96 ? 637 HOH N O 1 637 . A HETATM 3648 O O . HOH N 4 . ? -10.602 11.113 17.302 1.0 39.92 ? 638 HOH N O 1 638 . A HETATM 3649 O O . HOH N 4 . ? -16.527 15.294 13.687 1.0 39.11 ? 639 HOH N O 1 639 . A HETATM 3650 O O . HOH N 4 . ? -21.965 15.223 19.555 1.0 37.42 ? 640 HOH N O 1 640 . A HETATM 3651 O O . HOH N 4 . ? -10.188 13.112 14.576 1.0 37.79 ? 641 HOH N O 1 641 . A HETATM 3652 O O . HOH N 4 . ? 1.182 7.401 11.931 1.0 26.77 ? 642 HOH N O 1 642 . A HETATM 3653 O O . HOH N 4 . ? -4.871 7.629 6.873 1.0 39.14 ? 643 HOH N O 1 643 . A HETATM 3654 O O . HOH N 4 . ? -5.456 5.247 10.791 1.0 43.19 ? 644 HOH N O 1 644 . A HETATM 3655 O O . HOH N 4 . ? -1.891 7.891 9.158 1.0 34.42 ? 645 HOH N O 1 645 . A HETATM 3656 O O . HOH N 4 . ? 2.151 10.435 11.507 1.0 21.06 ? 646 HOH N O 1 646 . A HETATM 3657 O O . HOH N 4 . ? -4.124 1.779 12.115 1.0 39.49 ? 647 HOH N O 1 647 . A HETATM 3658 O O . HOH N 4 . ? -2.182 -2.553 12.547 1.0 39.79 ? 648 HOH N O 1 648 . A HETATM 3659 O O . HOH N 4 . ? 1.277 4.392 22.275 1.0 16.14 ? 649 HOH N O 1 649 . A HETATM 3660 O O . HOH N 4 . ? -4.470 -2.225 20.535 1.0 38.8 ? 650 HOH N O 1 650 . A HETATM 3661 O O . HOH N 4 . ? -2.936 -5.664 19.589 1.0 34.72 ? 651 HOH N O 1 651 . A HETATM 3662 O O . HOH N 4 . ? -9.267 4.913 17.843 1.0 36.89 ? 652 HOH N O 1 652 . A HETATM 3663 O O . HOH N 4 . ? 1.045 -4.812 16.074 1.0 42.21 ? 653 HOH N O 1 653 . A HETATM 3664 O O . HOH N 4 . ? 0.793 1.596 18.736 1.0 25.66 ? 654 HOH N O 1 654 . A HETATM 3665 O O . HOH N 4 . ? -1.551 1.571 16.986 1.0 37.09 ? 655 HOH N O 1 655 . A HETATM 3666 O O . HOH N 4 . ? -7.166 3.720 19.186 1.0 38.18 ? 656 HOH N O 1 656 . A HETATM 3667 O O . HOH N 4 . ? -5.423 5.889 24.999 1.0 31.48 ? 657 HOH N O 1 657 . A HETATM 3668 O O . HOH N 4 . ? -6.474 3.797 24.320 1.0 36.65 ? 658 HOH N O 1 658 . A HETATM 3669 O O . HOH N 4 . ? -8.324 9.719 22.401 1.0 34.18 ? 659 HOH N O 1 659 . A HETATM 3670 O O . HOH N 4 . ? -21.920 17.978 20.088 1.0 41.94 ? 660 HOH N O 1 660 . A HETATM 3671 O O . HOH N 4 . ? -20.601 20.392 22.586 1.0 39.04 ? 661 HOH N O 1 661 . A HETATM 3672 O O . HOH N 4 . ? -9.816 32.968 11.683 1.0 23.69 ? 662 HOH N O 1 662 . A HETATM 3673 O O . HOH N 4 . ? -6.062 38.514 17.219 1.0 36.0 ? 663 HOH N O 1 663 . A HETATM 3674 O O . HOH N 4 . ? 1.280 33.796 18.076 1.0 24.16 ? 664 HOH N O 1 664 . A HETATM 3675 O O . HOH N 4 . ? 4.129 37.987 19.531 1.0 35.8 ? 665 HOH N O 1 665 . A HETATM 3676 O O . HOH N 4 . ? -0.202 35.330 19.709 1.0 22.09 ? 666 HOH N O 1 666 . A HETATM 3677 O O . HOH N 4 . ? 6.694 36.610 12.964 1.0 15.53 ? 667 HOH N O 1 667 . A HETATM 3678 O O . HOH N 4 . ? 10.576 37.213 11.232 1.0 15.81 ? 668 HOH N O 1 668 . A HETATM 3679 O O . HOH N 4 . ? -12.683 31.558 11.310 1.0 38.87 ? 669 HOH N O 1 669 . A HETATM 3680 O O . HOH N 4 . ? -9.451 34.901 13.852 1.0 37.91 ? 670 HOH N O 1 670 . A HETATM 3681 O O . HOH N 4 . ? -16.001 35.451 17.967 1.0 38.54 ? 671 HOH N O 1 671 . A HETATM 3682 O O . HOH N 4 . ? -5.559 32.964 4.007 1.0 35.34 ? 672 HOH N O 1 672 . A HETATM 3683 O O . HOH N 4 . ? -2.360 34.744 5.454 1.0 36.52 ? 673 HOH N O 1 673 . A HETATM 3684 O O . HOH N 4 . ? -6.959 36.151 9.780 1.0 40.29 ? 674 HOH N O 1 674 . A HETATM 3685 O O . HOH N 4 . ? -4.724 21.724 33.650 1.0 35.66 ? 675 HOH N O 1 675 . A HETATM 3686 O O . HOH N 4 . ? 16.615 29.767 34.870 1.0 21.38 ? 676 HOH N O 1 676 . A HETATM 3687 O O . HOH N 4 . ? 17.961 25.149 35.206 1.0 34.34 ? 677 HOH N O 1 677 . A HETATM 3688 O O . HOH N 4 . ? 21.876 29.470 36.726 1.0 39.97 ? 678 HOH N O 1 678 . A HETATM 3689 O O . HOH N 4 . ? 7.395 10.655 2.976 1.0 28.48 ? 679 HOH N O 1 679 . A HETATM 3690 O O . HOH N 4 . ? 4.670 17.191 -2.383 1.0 22.79 ? 680 HOH N O 1 680 . A HETATM 3691 O O . HOH N 4 . ? 10.909 3.564 2.888 1.0 24.59 ? 681 HOH N O 1 681 . A HETATM 3692 O O . HOH N 4 . ? 2.873 8.388 4.829 1.0 39.34 ? 683 HOH N O 1 683 . A HETATM 3693 O O . HOH N 4 . ? 5.919 5.404 4.317 1.0 38.43 ? 684 HOH N O 1 684 . A HETATM 3694 O O . HOH N 4 . ? -0.620 9.519 7.772 1.0 27.8 ? 685 HOH N O 1 685 . A HETATM 3695 O O . HOH N 4 . ? 24.668 24.143 36.452 1.0 36.81 ? 686 HOH N O 1 686 . A HETATM 3696 O O . HOH N 4 . ? -6.549 4.915 8.425 1.0 42.3 ? 687 HOH N O 1 687 . A HETATM 3697 O O . HOH N 4 . ? 1.658 -2.844 10.585 1.0 40.97 ? 688 HOH N O 1 688 . A HETATM 3698 O O . HOH N 4 . ? -5.670 -5.406 10.078 1.0 39.53 ? 689 HOH N O 1 689 . A HETATM 3699 O O . HOH N 4 . ? 4.343 0.311 10.991 1.0 39.79 ? 690 HOH N O 1 690 . A HETATM 3700 O O . HOH N 4 . ? -0.999 1.472 27.475 1.0 36.76 ? 691 HOH N O 1 691 . A HETATM 3701 O O . HOH N 4 . ? 8.762 -0.330 30.375 1.0 23.64 ? 692 HOH N O 1 692 . A HETATM 3702 O O . HOH N 4 . ? 4.455 -3.297 32.126 1.0 38.1 ? 693 HOH N O 1 693 . A HETATM 3703 O O . HOH N 4 . ? 3.704 5.292 37.706 1.0 30.57 ? 694 HOH N O 1 694 . A HETATM 3704 O O . HOH N 4 . ? 5.660 7.951 37.805 1.0 31.46 ? 695 HOH N O 1 695 . A HETATM 3705 O O . HOH N 4 . ? 6.706 9.884 42.779 1.0 38.57 ? 696 HOH N O 1 696 . A HETATM 3706 O O . HOH N 4 . ? 9.157 2.771 36.932 1.0 40.75 ? 697 HOH N O 1 697 . A HETATM 3707 O O . HOH N 4 . ? 32.111 19.452 14.268 1.0 38.27 ? 698 HOH N O 1 698 . A HETATM 3708 O O . HOH N 4 . ? 14.840 6.200 42.054 1.0 38.07 ? 699 HOH N O 1 699 . A HETATM 3709 O O . HOH N 4 . ? -16.720 23.193 7.499 1.0 33.52 ? 700 HOH N O 1 700 . A HETATM 3710 O O . HOH N 4 . ? -23.382 13.365 19.381 1.0 38.44 ? 701 HOH N O 1 701 . A HETATM 3711 O O . HOH N 4 . ? -1.536 -3.351 8.820 1.0 41.72 ? 702 HOH N O 1 702 . A HETATM 3712 O O . HOH N 4 . ? 27.000 28.403 14.500 1.0 35.35 ? 703 HOH N O 1 703 . A HETATM 3713 O O . HOH N 4 . ? 25.500 25.154 31.950 1.0 37.91 ? 704 HOH N O 1 704 . A HETATM 3714 O O . HOH N 4 . ? 30.745 25.713 33.898 1.0 39.17 ? 705 HOH N O 1 705 . A HETATM 3715 O O . HOH N 4 . ? 29.947 28.558 34.378 1.0 38.53 ? 706 HOH N O 1 706 . A HETATM 3716 O O . HOH N 4 . ? 30.956 17.849 26.658 1.0 40.21 ? 707 HOH N O 1 707 . A HETATM 3717 O O . HOH N 4 . ? 11.281 27.039 -2.260 1.0 37.8 ? 708 HOH N O 1 708 . A HETATM 3718 O O . HOH N 4 . ? 11.356 25.603 -4.160 1.0 19.81 ? 709 HOH N O 1 709 . A HETATM 3719 O O . HOH N 4 . ? 25.522 14.451 7.503 1.0 40.69 ? 710 HOH N O 1 710 . A HETATM 3720 O O . HOH N 4 . ? 17.980 21.492 -1.349 1.0 27.11 ? 711 HOH N O 1 711 . A HETATM 3721 O O . HOH N 4 . ? 15.046 21.685 -0.881 1.0 19.73 ? 712 HOH N O 1 712 . A HETATM 3722 O O . HOH N 4 . ? 16.978 18.234 -5.246 1.0 32.71 ? 713 HOH N O 1 713 . A HETATM 3723 O O . HOH N 4 . ? 14.220 18.643 -5.201 1.0 27.92 ? 714 HOH N O 1 714 . A HETATM 3724 O O . HOH N 4 . ? 10.230 23.742 -4.691 1.0 39.6 ? 715 HOH N O 1 715 . A HETATM 3725 O O . HOH N 4 . ? 10.014 29.335 -0.670 1.0 34.16 ? 716 HOH N O 1 716 . A HETATM 3726 O O . HOH N 4 . ? 18.791 10.652 7.332 1.0 30.34 ? 717 HOH N O 1 717 . A HETATM 3727 O O . HOH N 4 . ? 23.831 14.071 10.291 1.0 35.81 ? 718 HOH N O 1 718 . A HETATM 3728 O O . HOH N 4 . ? 24.167 14.375 15.615 1.0 30.21 ? 719 HOH N O 1 719 . A HETATM 3729 O O . HOH N 4 . ? 25.079 4.057 23.199 1.0 22.87 ? 720 HOH N O 1 720 . A HETATM 3730 O O . HOH N 4 . ? 25.836 3.036 27.972 1.0 21.93 ? 721 HOH N O 1 721 . A HETATM 3731 O O . HOH N 4 . ? 28.043 12.268 34.061 1.0 34.14 ? 722 HOH N O 1 722 . A HETATM 3732 O O . HOH N 4 . ? 23.938 13.206 34.651 1.0 39.59 ? 723 HOH N O 1 723 . A HETATM 3733 O O . HOH N 4 . ? -4.396 34.630 23.941 1.0 31.48 ? 724 HOH N O 1 724 . A HETATM 3734 O O . HOH N 4 . ? -6.109 38.402 25.632 1.0 40.42 ? 725 HOH N O 1 725 . A HETATM 3735 O O . HOH N 4 . ? 13.461 -0.432 0.624 1.0 27.95 ? 726 HOH N O 1 726 . A HETATM 3736 O O . HOH N 4 . ? 1.709 10.114 1.668 1.0 32.93 ? 727 HOH N O 1 727 . A HETATM 3737 O O . HOH N 4 . ? 19.758 25.418 29.799 1.0 36.87 ? 728 HOH N O 1 728 . A HETATM 3738 O O . HOH N 4 . ? -1.988 0.486 12.633 1.0 37.33 ? 729 HOH N O 1 729 . A HETATM 3739 O O . HOH N 4 . ? 2.220 1.849 11.782 1.0 35.02 ? 730 HOH N O 1 730 . A HETATM 3740 O O . HOH N 4 . ? 24.417 20.875 17.731 1.0 35.78 ? 731 HOH N O 1 731 . A HETATM 3741 O O . HOH N 4 . ? 25.958 27.841 16.432 1.0 31.79 ? 732 HOH N O 1 732 . A HETATM 3742 O O . HOH N 4 . ? 11.648 -2.382 9.865 1.0 30.54 ? 733 HOH N O 1 733 . A HETATM 3743 O O . HOH N 4 . ? 20.755 18.378 5.250 1.0 29.63 ? 734 HOH N O 1 734 . A HETATM 3744 O O . HOH N 4 . ? 27.663 22.494 7.771 1.0 34.85 ? 735 HOH N O 1 735 . A HETATM 3745 O O . HOH N 4 . ? 18.882 25.126 7.356 1.0 12.81 ? 736 HOH N O 1 736 . A HETATM 3746 O O . HOH N 4 . ? 21.297 26.096 7.062 1.0 24.71 ? 737 HOH N O 1 737 . A HETATM 3747 O O . HOH N 4 . ? 21.994 24.721 2.951 1.0 41.4 ? 738 HOH N O 1 738 . A HETATM 3748 O O . HOH N 4 . ? 20.417 26.270 2.422 1.0 33.9 ? 739 HOH N O 1 739 . A HETATM 3749 O O . HOH N 4 . ? 12.390 18.975 -3.298 1.0 30.88 ? 740 HOH N O 1 740 . A HETATM 3750 O O . HOH N 4 . ? 25.921 19.231 9.941 1.0 37.43 ? 741 HOH N O 1 741 . A HETATM 3751 O O . HOH N 4 . ? 23.737 21.296 3.103 1.0 33.7 ? 742 HOH N O 1 742 . A HETATM 3752 O O . HOH N 4 . ? 26.941 16.978 3.845 1.0 37.25 ? 743 HOH N O 1 743 . A HETATM 3753 O O . HOH N 4 . ? 16.581 28.621 1.016 1.0 31.51 ? 744 HOH N O 1 744 . A HETATM 3754 O O . HOH N 4 . ? 0.169 -2.044 25.370 1.0 31.93 ? 745 HOH N O 1 745 . A HETATM 3755 O O . HOH N 4 . ? -0.894 30.070 35.234 1.0 27.27 ? 746 HOH N O 1 746 . A HETATM 3756 O O . HOH N 4 . ? 1.258 28.235 36.382 1.0 24.21 ? 747 HOH N O 1 747 . A HETATM 3757 O O . HOH N 4 . ? -0.335 0.037 30.257 1.0 21.67 ? 748 HOH N O 1 748 . A HETATM 3758 O O . HOH N 4 . ? 5.323 23.700 -5.621 1.0 31.54 ? 749 HOH N O 1 749 . A HETATM 3759 O O . HOH N 4 . ? -6.901 12.114 10.675 1.0 32.71 ? 750 HOH N O 1 750 . A HETATM 3760 O O . HOH N 4 . ? 34.407 8.475 29.273 1.0 38.44 ? 751 HOH N O 1 751 . A HETATM 3761 O O . HOH N 4 . ? 39.729 11.232 25.427 1.0 35.4 ? 752 HOH N O 1 752 . A HETATM 3762 O O . HOH N 4 . ? 31.410 10.984 23.749 1.0 38.6 ? 753 HOH N O 1 753 . A HETATM 3763 O O . HOH N 4 . ? 36.512 8.182 26.669 1.0 38.0 ? 754 HOH N O 1 754 . A HETATM 3764 O O . HOH N 4 . ? 31.127 17.088 28.744 1.0 33.32 ? 755 HOH N O 1 755 . A HETATM 3765 O O . HOH N 4 . ? 26.898 23.173 28.464 1.0 35.51 ? 756 HOH N O 1 756 . A HETATM 3766 O O . HOH N 4 . ? 29.474 18.990 14.698 1.0 38.19 ? 757 HOH N O 1 757 . A HETATM 3767 O O . HOH N 4 . ? 28.193 16.855 20.019 1.0 36.19 ? 758 HOH N O 1 758 . A HETATM 3768 O O . HOH N 4 . ? 26.045 22.435 6.092 1.0 36.35 ? 759 HOH N O 1 759 . A HETATM 3769 O O . HOH N 4 . ? 29.099 19.420 12.081 1.0 36.87 ? 760 HOH N O 1 760 . A HETATM 3770 O O . HOH N 4 . ? 27.463 26.756 9.512 1.0 33.0 ? 761 HOH N O 1 761 . A HETATM 3771 O O . HOH N 4 . ? 19.825 25.305 36.982 1.0 40.03 ? 762 HOH N O 1 762 . A HETATM 3772 O O . HOH N 4 . ? 38.398 25.130 37.361 1.0 34.62 ? 763 HOH N O 1 763 . A HETATM 3773 O O . HOH N 4 . ? 3.271 3.478 5.769 1.0 32.4 ? 764 HOH N O 1 764 . A HETATM 3774 O O . HOH N 4 . ? 10.568 5.018 0.404 1.0 24.85 ? 765 HOH N O 1 765 . A HETATM 3775 O O . HOH N 4 . ? 2.705 3.774 2.995 1.0 38.8 ? 766 HOH N O 1 766 . A HETATM 3776 O O . HOH N 4 . ? 2.157 0.593 7.081 1.0 36.04 ? 767 HOH N O 1 767 . A HETATM 3777 O O . HOH N 4 . ? 2.618 8.152 9.998 1.0 22.7 ? 768 HOH N O 1 768 . A HETATM 3778 O O . HOH N 4 . ? 7.857 13.535 -2.074 1.0 30.02 ? 769 HOH N O 1 769 . A HETATM 3779 O O . HOH N 4 . ? -5.156 -2.029 15.768 1.0 42.25 ? 770 HOH N O 1 770 . A HETATM 3780 O O . HOH N 4 . ? 1.787 20.730 32.063 1.0 24.07 ? 771 HOH N O 1 771 . A HETATM 3781 O O . HOH N 4 . ? -2.868 23.612 33.040 1.0 31.55 ? 772 HOH N O 1 772 . A HETATM 3782 O O . HOH N 4 . ? 6.879 17.963 40.887 1.0 34.96 ? 773 HOH N O 1 773 . A HETATM 3783 O O . HOH N 4 . ? -2.024 8.629 33.419 1.0 33.98 ? 774 HOH N O 1 774 . A HETATM 3784 O O . HOH N 4 . ? -3.517 15.566 38.248 1.0 39.06 ? 775 HOH N O 1 775 . A HETATM 3785 O O . HOH N 4 . ? -5.300 19.396 35.049 1.0 37.56 ? 776 HOH N O 1 776 . A HETATM 3786 O O . HOH N 4 . ? -3.172 0.853 23.223 1.0 34.31 ? 777 HOH N O 1 777 . A HETATM 3787 O O . HOH N 4 . ? 28.072 19.441 39.904 1.0 41.22 ? 778 HOH N O 1 778 . A HETATM 3788 O O . HOH N 4 . ? 26.272 15.877 42.765 1.0 37.13 ? 779 HOH N O 1 779 . A HETATM 3789 O O . HOH N 4 . ? 26.033 15.546 45.222 1.0 40.09 ? 780 HOH N O 1 780 . A HETATM 3790 O O . HOH N 4 . ? 22.987 15.590 36.630 1.0 36.96 ? 781 HOH N O 1 781 . A HETATM 3791 O O . HOH N 4 . ? 29.884 14.515 32.251 1.0 37.71 ? 782 HOH N O 1 782 . A HETATM 3792 O O . HOH N 4 . ? 33.070 29.295 35.265 1.0 35.65 ? 783 HOH N O 1 783 . A HETATM 3793 O O . HOH N 4 . ? 29.248 16.030 23.950 1.0 32.02 ? 784 HOH N O 1 784 . A HETATM 3794 O O . HOH N 4 . ? 30.134 20.059 23.539 1.0 38.8 ? 785 HOH N O 1 785 . A HETATM 3795 O O . HOH N 4 . ? 29.187 11.313 20.756 1.0 25.77 ? 786 HOH N O 1 786 . A HETATM 3796 O O . HOH N 4 . ? 35.902 17.788 15.527 1.0 37.0 ? 787 HOH N O 1 787 . A HETATM 3797 O O . HOH N 4 . ? 32.435 21.181 16.580 1.0 37.26 ? 788 HOH N O 1 788 . A HETATM 3798 O O . HOH N 4 . ? 32.900 15.203 14.987 1.0 37.68 ? 789 HOH N O 1 789 . A HETATM 3799 O O . HOH N 4 . ? 30.896 14.578 16.251 1.0 40.51 ? 790 HOH N O 1 790 . A HETATM 3800 O O . HOH N 4 . ? 10.513 6.103 40.459 1.0 36.87 ? 791 HOH N O 1 791 . A HETATM 3801 O O . HOH N 4 . ? 12.627 6.065 37.015 1.0 38.68 ? 792 HOH N O 1 792 . A HETATM 3802 O O . HOH N 4 . ? 14.603 8.235 36.819 1.0 36.13 ? 793 HOH N O 1 793 . A HETATM 3803 O O . HOH N 4 . ? 8.084 0.904 40.419 1.0 36.52 ? 794 HOH N O 1 794 . A HETATM 3804 O O . HOH N 4 . ? 9.571 9.173 43.407 1.0 40.19 ? 795 HOH N O 1 795 . A HETATM 3805 O O . HOH N 4 . ? 5.348 9.412 39.952 1.0 40.55 ? 796 HOH N O 1 796 . A HETATM 3806 O O . HOH N 4 . ? -0.164 14.456 45.566 1.0 38.6 ? 797 HOH N O 1 797 . A HETATM 3807 O O . HOH N 4 . ? -16.538 24.428 10.029 1.0 35.54 ? 798 HOH N O 1 798 . A HETATM 3808 O O . HOH N 4 . ? -13.611 18.699 4.012 1.0 33.08 ? 799 HOH N O 1 799 . A HETATM 3809 O O . HOH N 4 . ? 20.750 -0.688 30.659 1.0 36.38 ? 800 HOH N O 1 800 . A HETATM 3810 O O . HOH N 4 . ? 29.791 3.776 25.455 1.0 35.68 ? 801 HOH N O 1 801 . A HETATM 3811 O O . HOH N 4 . ? -0.542 35.100 13.142 1.0 33.11 ? 802 HOH N O 1 802 . A HETATM 3812 O O . HOH N 4 . ? -4.402 6.624 32.797 1.0 11.91 ? 803 HOH N O 1 803 . A HETATM 3813 O O . HOH N 4 . ? 3.118 34.603 13.448 1.0 29.35 ? 804 HOH N O 1 804 . A HETATM 3814 O O . HOH N 4 . ? 8.326 25.632 -5.238 1.0 41.12 ? 805 HOH N O 1 805 . A HETATM 3815 O O . HOH N 4 . ? 20.215 23.105 6.559 1.0 26.99 ? 806 HOH N O 1 806 . A HETATM 3816 O O . HOH N 4 . ? -9.756 12.173 9.497 1.0 37.32 ? 807 HOH N O 1 807 . A HETATM 3817 O O . HOH N 4 . ? -19.360 17.488 37.838 1.0 36.57 ? 808 HOH N O 1 808 . A HETATM 3818 O O . HOH N 4 . ? 6.874 -5.296 24.885 1.0 36.71 ? 809 HOH N O 1 809 . A HETATM 3819 O O . HOH N 4 . ? -0.625 34.750 26.266 1.0 38.29 ? 810 HOH N O 1 810 . A HETATM 3820 O O . HOH N 4 . ? 11.582 -0.277 3.410 1.0 36.99 ? 811 HOH N O 1 811 . A HETATM 3821 O O . HOH N 4 . ? -0.181 22.352 33.528 1.0 33.52 ? 812 HOH N O 1 812 . A HETATM 3822 O O . HOH N 4 . ? -1.323 23.760 35.066 1.0 36.93 ? 813 HOH N O 1 813 . A HETATM 3823 O O . HOH N 4 . ? 11.269 29.793 4.714 1.0 29.45 ? 814 HOH N O 1 814 . A HETATM 3824 O O . HOH N 4 . ? 9.055 0.057 8.438 1.0 34.85 ? 815 HOH N O 1 815 . A HETATM 3825 O O . HOH N 4 . ? -8.612 32.366 24.329 1.0 28.65 ? 816 HOH N O 1 816 . A HETATM 3826 O O . HOH N 4 . ? 2.717 33.306 24.518 1.0 38.07 ? 817 HOH N O 1 817 . A HETATM 3827 O O . HOH N 4 . ? 0.521 32.659 25.209 1.0 37.77 ? 818 HOH N O 1 818 . A HETATM 3828 O O . HOH N 4 . ? 7.310 24.505 32.456 1.0 26.44 ? 819 HOH N O 1 819 . A HETATM 3829 O O . HOH N 4 . ? 8.107 24.651 35.352 1.0 24.86 ? 820 HOH N O 1 820 . A HETATM 3830 O O . HOH N 4 . ? 26.033 4.938 32.073 1.0 34.33 ? 821 HOH N O 1 821 . A HETATM 3831 O O . HOH N 4 . ? 8.944 35.097 12.437 1.0 26.36 ? 822 HOH N O 1 822 . A HETATM 3832 O O . HOH N 4 . ? 6.142 36.848 16.788 1.0 18.8 ? 823 HOH N O 1 823 . A HETATM 3833 O O . HOH N 4 . ? 5.666 36.025 14.791 1.0 33.93 ? 824 HOH N O 1 824 . A HETATM 3834 O O . HOH N 4 . ? -7.949 30.410 4.887 1.0 36.81 ? 825 HOH N O 1 825 . A HETATM 3835 O O . HOH N 4 . ? -6.041 16.814 29.146 1.0 40.97 ? 826 HOH N O 1 826 . A HETATM 3836 O O . HOH N 4 . ? -3.052 20.438 29.459 1.0 14.31 ? 827 HOH N O 1 827 . A HETATM 3837 O O . HOH N 4 . ? 12.776 1.538 3.528 1.0 33.31 ? 828 HOH N O 1 828 . A HETATM 3838 O O . HOH N 4 . ? 11.676 -1.729 1.523 1.0 40.91 ? 829 HOH N O 1 829 . A HETATM 3839 O O . HOH N 4 . ? 15.490 24.183 33.896 1.0 29.89 ? 830 HOH N O 1 830 . A HETATM 3840 O O . HOH N 4 . ? 20.213 27.811 36.511 1.0 36.93 ? 831 HOH N O 1 831 . A HETATM 3841 O O . HOH N 4 . ? -4.783 4.231 13.491 1.0 36.01 ? 832 HOH N O 1 832 . A HETATM 3842 O O . HOH N 4 . ? -4.283 7.865 14.249 1.0 30.05 ? 833 HOH N O 1 833 . A HETATM 3843 O O . HOH N 4 . ? 2.439 -0.410 19.273 1.0 32.19 ? 834 HOH N O 1 834 . A HETATM 3844 O O . HOH N 4 . ? 12.103 21.117 -1.832 1.0 30.6 ? 835 HOH N O 1 835 . A HETATM 3845 O O . HOH N 4 . ? -1.039 28.863 1.379 1.0 16.25 ? 836 HOH N O 1 836 . A HETATM 3846 O O . HOH N 4 . ? -1.447 29.407 37.518 1.0 21.36 ? 837 HOH N O 1 837 . A HETATM 3847 O O . HOH N 4 . ? -12.628 35.172 17.822 1.0 39.97 ? 838 HOH N O 1 838 . A HETATM 3848 O O . HOH N 4 . ? -11.133 40.550 12.025 1.0 36.22 ? 839 HOH N O 1 839 . A HETATM 3849 O O . HOH N 4 . ? -10.271 42.024 14.700 1.0 33.89 ? 840 HOH N O 1 840 . A HETATM 3850 O O . HOH N 4 . ? -11.226 8.615 20.619 1.0 35.37 ? 841 HOH N O 1 841 . A HETATM 3851 O O . HOH N 4 . ? 1.402 9.911 9.054 1.0 31.0 ? 843 HOH N O 1 843 . A HETATM 3852 O O . HOH N 4 . ? -1.440 32.993 12.080 1.0 27.18 ? 844 HOH N O 1 844 . A HETATM 3853 O O . HOH N 4 . ? 39.764 11.354 29.454 1.0 37.52 ? 845 HOH N O 1 845 . A HETATM 3854 O O . HOH N 4 . ? 5.930 2.519 8.928 1.0 40.02 ? 846 HOH N O 1 846 . A HETATM 3855 O O . HOH N 4 . ? 3.354 6.160 5.788 1.0 37.04 ? 847 HOH N O 1 847 . A HETATM 3856 O O . HOH N 4 . ? -2.639 0.754 19.018 1.0 33.82 ? 848 HOH N O 1 848 . A HETATM 3857 O O . HOH N 4 . ? -22.133 22.006 18.124 1.0 35.15 ? 849 HOH N O 1 849 . A HETATM 3858 O O . HOH N 4 . ? -17.554 19.208 23.404 1.0 33.43 ? 850 HOH N O 1 850 . A HETATM 3859 O O . HOH N 4 . ? -9.630 10.052 30.279 1.0 36.24 ? 851 HOH N O 1 851 . A HETATM 3860 O O . HOH N 4 . ? -7.327 7.354 28.057 1.0 34.19 ? 852 HOH N O 1 852 . A HETATM 3861 O O . HOH N 4 . ? 18.093 9.345 36.092 1.0 36.42 ? 854 HOH N O 1 854 . A HETATM 3862 O O . HOH N 4 . ? 14.871 12.319 36.036 1.0 39.29 ? 855 HOH N O 1 855 . A HETATM 3863 O O . HOH N 4 . ? 15.572 9.055 34.577 1.0 35.54 ? 856 HOH N O 1 856 . A HETATM 3864 O O . HOH N 4 . ? 10.741 7.612 35.954 1.0 36.25 ? 857 HOH N O 1 857 . A HETATM 3865 O O . HOH N 4 . ? 6.677 11.248 40.764 1.0 35.75 ? 858 HOH N O 1 858 . A HETATM 3866 O O . HOH N 4 . ? 8.371 4.919 38.879 1.0 37.11 ? 859 HOH N O 1 859 . A HETATM 3867 O O . HOH N 4 . ? 6.023 2.975 38.260 1.0 38.87 ? 860 HOH N O 1 860 . A HETATM 3868 O O . HOH N 4 . ? -1.741 -0.152 25.614 1.0 29.79 ? 861 HOH N O 1 861 . A HETATM 3869 O O . HOH N 4 . ? 4.835 -4.151 26.077 1.0 29.67 ? 862 HOH N O 1 862 . A HETATM 3870 O O . HOH N 4 . ? 27.128 23.719 17.248 1.0 36.02 ? 863 HOH N O 1 863 . A HETATM 3871 O O . HOH N 4 . ? 27.200 19.047 21.358 1.0 36.82 ? 864 HOH N O 1 864 . A HETATM 3872 O O . HOH N 4 . ? 32.818 20.431 22.741 1.0 38.98 ? 865 HOH N O 1 865 . A HETATM 3873 O O . HOH N 4 . ? 31.356 9.110 17.961 1.0 36.96 ? 866 HOH N O 1 866 . A HETATM 3874 O O . HOH N 4 . ? 32.419 15.081 18.008 1.0 37.64 ? 867 HOH N O 1 867 . A HETATM 3875 O O . HOH N 4 . ? 29.665 13.865 23.220 1.0 35.75 ? 868 HOH N O 1 868 . A HETATM 3876 O O . HOH N 4 . ? 27.597 15.368 13.173 1.0 37.43 ? 869 HOH N O 1 869 . A HETATM 3877 O O . HOH N 4 . ? 30.679 15.044 13.853 1.0 38.55 ? 870 HOH N O 1 870 . A HETATM 3878 O O . HOH N 4 . ? 0.962 -2.493 18.073 1.0 39.85 ? 871 HOH N O 1 871 . A HETATM 3879 O O . HOH N 4 . ? -4.458 -5.157 13.255 1.0 37.87 ? 872 HOH N O 1 872 . A HETATM 3880 O O . HOH N 4 . ? -0.303 12.486 42.183 1.0 34.86 ? 873 HOH N O 1 873 . A HETATM 3881 O O . HOH N 4 . ? -17.151 25.473 12.564 1.0 37.86 ? 874 HOH N O 1 874 . A HETATM 3882 O O . HOH N 4 . ? -16.674 18.678 18.407 1.0 38.09 ? 875 HOH N O 1 875 . A HETATM 3883 O O . HOH N 4 . ? -15.954 24.239 18.524 1.0 39.35 ? 876 HOH N O 1 876 . A HETATM 3884 O O . HOH N 4 . ? -16.546 22.114 16.734 1.0 30.2 ? 877 HOH N O 1 877 . A HETATM 3885 O O . HOH N 4 . ? -13.858 10.662 25.305 1.0 39.33 ? 878 HOH N O 1 878 . A HETATM 3886 O O . HOH N 4 . ? -12.049 15.374 21.173 1.0 29.22 ? 879 HOH N O 1 879 . A HETATM 3887 O O . HOH N 4 . ? -11.399 12.320 23.189 1.0 40.5 ? 880 HOH N O 1 880 . A HETATM 3888 O O . HOH N 4 . ? -9.970 7.578 26.215 1.0 34.18 ? 881 HOH N O 1 881 . A HETATM 3889 O O . HOH N 4 . ? 6.581 27.045 -4.193 1.0 35.02 ? 882 HOH N O 1 882 . A HETATM 3890 O O . HOH N 4 . ? 8.903 26.606 0.786 1.0 28.51 ? 883 HOH N O 1 883 . A HETATM 3891 O O . HOH N 4 . ? 4.395 28.305 -0.048 1.0 34.86 ? 884 HOH N O 1 884 . A HETATM 3892 O O . HOH N 4 . ? 1.285 29.212 2.801 1.0 35.56 ? 885 HOH N O 1 885 . A HETATM 3893 O O . HOH N 4 . ? 24.607 0.843 34.810 1.0 34.63 ? 886 HOH N O 1 886 . A HETATM 3894 O O . HOH N 4 . ? -8.320 34.636 17.145 1.0 35.84 ? 887 HOH N O 1 887 . A HETATM 3895 O O . HOH N 4 . ? -11.649 31.713 16.059 1.0 34.56 ? 888 HOH N O 1 888 . A HETATM 3896 O O . HOH N 4 . ? -14.388 37.262 11.362 1.0 40.9 ? 889 HOH N O 1 889 . A HETATM 3897 O O . HOH N 4 . ? -12.598 35.756 15.164 1.0 36.59 ? 890 HOH N O 1 890 . A HETATM 3898 O O . HOH N 4 . ? -11.685 37.036 19.266 1.0 37.78 ? 891 HOH N O 1 891 . A HETATM 3899 O O . HOH N 4 . ? -13.121 39.645 15.049 1.0 40.25 ? 892 HOH N O 1 892 . A HETATM 3900 O O . HOH N 4 . ? -7.857 37.983 21.725 1.0 33.49 ? 893 HOH N O 1 893 . A HETATM 3901 O O . HOH N 4 . ? -5.235 36.756 27.320 1.0 33.38 ? 894 HOH N O 1 894 . A HETATM 3902 O O . HOH N 4 . ? -0.616 38.770 25.775 1.0 40.89 ? 895 HOH N O 1 895 . A HETATM 3903 O O . HOH N 4 . ? -0.629 36.879 27.083 1.0 37.76 ? 896 HOH N O 1 896 . A HETATM 3904 O O . HOH N 4 . ? 5.306 33.908 23.128 1.0 33.85 ? 897 HOH N O 1 897 . A HETATM 3905 O O . HOH N 4 . ? -3.073 34.016 7.771 1.0 36.26 ? 898 HOH N O 1 898 . A HETATM 3906 O O . HOH N 4 . ? 34.534 8.191 25.338 1.0 38.12 ? 899 HOH N O 1 899 . A HETATM 3907 O O . HOH N 4 . ? 42.251 12.025 28.757 1.0 37.91 ? 900 HOH N O 1 900 . A HETATM 3908 O O . HOH N 4 . ? 42.592 9.409 24.564 1.0 38.69 ? 901 HOH N O 1 901 . A HETATM 3909 O O . HOH N 4 . ? -8.107 18.788 31.803 1.0 36.08 ? 902 HOH N O 1 902 . A HETATM 3910 O O . HOH N 4 . ? 2.723 20.842 34.009 1.0 33.04 ? 903 HOH N O 1 903 . A HETATM 3911 O O . HOH N 4 . ? 14.915 27.793 28.229 1.0 6.73 ? 904 HOH N O 1 904 . A HETATM 3912 O O . HOH N 4 . ? 21.461 11.112 38.234 1.0 37.29 ? 905 HOH N O 1 905 . A HETATM 3913 O O . HOH N 4 . ? 29.408 21.409 31.153 1.0 38.55 ? 906 HOH N O 1 906 . A HETATM 3914 O O . HOH N 4 . ? 29.202 25.710 28.412 1.0 37.14 ? 907 HOH N O 1 907 . A HETATM 3915 O O . HOH N 4 . ? 30.706 18.608 33.188 1.0 36.14 ? 908 HOH N O 1 908 . A HETATM 3916 O O . HOH N 4 . ? 27.980 20.088 33.514 1.0 37.47 ? 909 HOH N O 1 909 . A HETATM 3917 O O . HOH N 4 . ? 31.084 20.057 37.867 1.0 36.22 ? 910 HOH N O 1 910 . A HETATM 3918 O O . HOH N 4 . ? 36.257 24.138 40.522 1.0 40.33 ? 911 HOH N O 1 911 . A HETATM 3919 O O . HOH N 4 . ? 27.852 22.014 42.208 1.0 38.58 ? 912 HOH N O 1 912 . A HETATM 3920 O O . HOH N 4 . ? 31.928 22.537 42.018 1.0 38.36 ? 913 HOH N O 1 913 . A HETATM 3921 O O . HOH N 4 . ? 26.480 6.527 29.443 1.0 34.82 ? 914 HOH N O 1 914 . A HETATM 3922 O O . HOH N 4 . ? -6.754 28.043 30.415 1.0 29.28 ? 915 HOH N O 1 915 . A HETATM 3923 O O . HOH N 4 . ? -4.648 27.503 33.625 1.0 30.58 ? 916 HOH N O 1 916 . A HETATM 3924 O O . HOH N 4 . ? 13.652 4.212 2.358 1.0 34.43 ? 917 HOH N O 1 917 . A HETATM 3925 O O . HOH N 4 . ? 8.171 3.043 7.281 1.0 38.44 ? 920 HOH N O 1 920 . A HETATM 3926 O O . HOH N 4 . ? 2.942 -0.648 8.997 1.0 36.49 ? 921 HOH N O 1 921 . A HETATM 3927 O O . HOH N 4 . ? 4.613 1.443 6.310 1.0 36.67 ? 922 HOH N O 1 922 . A HETATM 3928 O O . HOH N 4 . ? -0.478 4.486 6.731 1.0 40.22 ? 923 HOH N O 1 923 . A HETATM 3929 O O . HOH N 4 . ? -2.788 5.267 9.662 1.0 35.54 ? 924 HOH N O 1 924 . A HETATM 3930 O O . HOH N 4 . ? -15.648 26.220 28.894 1.0 34.85 ? 925 HOH N O 1 925 . A HETATM 3931 O O . HOH N 4 . ? -18.501 23.355 34.958 1.0 38.67 ? 926 HOH N O 1 926 . A HETATM 3932 O O . HOH N 4 . ? -5.281 -5.225 1.219 1.0 39.35 ? 927 HOH N O 1 927 . A HETATM 3933 O O . HOH N 4 . ? -22.864 17.734 22.383 1.0 37.77 ? 928 HOH N O 1 928 . A HETATM 3934 O O . HOH N 4 . ? -20.502 13.558 22.895 1.0 35.66 ? 929 HOH N O 1 929 . A HETATM 3935 O O . HOH N 4 . ? -4.189 7.836 36.682 1.0 40.84 ? 930 HOH N O 1 930 . A HETATM 3936 O O . HOH NA 4 . ? -24.171 -22.690 50.273 1.0 13.3 ? 301 HOH NA O 1 301 . A HETATM 3937 O O . HOH NA 4 . ? -24.710 -20.528 51.798 1.0 8.33 ? 302 HOH NA O 1 302 . A HETATM 3938 O O . HOH NA 4 . ? -25.359 -20.866 54.726 1.0 19.07 ? 303 HOH NA O 1 303 . A HETATM 3939 O O . HOH NA 4 . ? 3.215 -12.154 49.504 1.0 7.81 ? 304 HOH NA O 1 304 . A HETATM 3940 O O . HOH NA 4 . ? -2.782 -11.333 53.932 1.0 10.15 ? 305 HOH NA O 1 305 . A HETATM 3941 O O . HOH NA 4 . ? -29.278 -12.622 58.588 1.0 16.86 ? 306 HOH NA O 1 306 . A HETATM 3942 O O . HOH NA 4 . ? -31.015 -14.065 57.643 1.0 18.09 ? 307 HOH NA O 1 307 . A HETATM 3943 O O . HOH NA 4 . ? -32.199 -10.250 59.091 1.0 25.43 ? 308 HOH NA O 1 308 . A HETATM 3944 O O . HOH NA 4 . ? 0.104 -10.409 55.381 1.0 24.18 ? 309 HOH NA O 1 309 . A HETATM 3945 O O . HOH NA 4 . ? 2.451 -13.991 57.159 1.0 17.93 ? 310 HOH NA O 1 310 . A HETATM 3946 O O . HOH NA 4 . ? -0.032 -16.716 57.817 1.0 10.21 ? 311 HOH NA O 1 311 . A HETATM 3947 O O . HOH NA 4 . ? -16.195 -8.891 65.816 1.0 14.63 ? 312 HOH NA O 1 312 . A HETATM 3948 O O . HOH NA 4 . ? -0.417 -19.872 53.314 1.0 8.89 ? 313 HOH NA O 1 313 . A HETATM 3949 O O . HOH NA 4 . ? -30.037 -4.140 45.925 1.0 11.16 ? 314 HOH NA O 1 314 . A HETATM 3950 O O . HOH NA 4 . ? -29.128 10.787 43.542 1.0 25.48 ? 315 HOH NA O 1 315 . A HETATM 3951 O O . HOH NA 4 . ? -33.355 -5.906 44.852 1.0 23.86 ? 316 HOH NA O 1 316 . A HETATM 3952 O O . HOH NA 4 . ? -31.736 -1.721 46.162 1.0 27.42 ? 317 HOH NA O 1 317 . A HETATM 3953 O O . HOH NA 4 . ? -22.280 8.529 44.324 1.0 11.08 ? 318 HOH NA O 1 318 . A HETATM 3954 O O . HOH NA 4 . ? -35.540 3.381 44.641 1.0 13.48 ? 319 HOH NA O 1 319 . A HETATM 3955 O O . HOH NA 4 . ? -32.388 -0.571 43.938 1.0 18.35 ? 320 HOH NA O 1 320 . A HETATM 3956 O O . HOH NA 4 . ? 1.776 -20.343 56.773 1.0 12.87 ? 321 HOH NA O 1 321 . A HETATM 3957 O O . HOH NA 4 . ? -28.991 -2.211 37.660 1.0 15.84 ? 322 HOH NA O 1 322 . A HETATM 3958 O O . HOH NA 4 . ? -7.100 7.345 40.744 1.0 20.14 ? 323 HOH NA O 1 323 . A HETATM 3959 O O . HOH NA 4 . ? -13.332 2.129 37.891 1.0 12.57 ? 324 HOH NA O 1 324 . A HETATM 3960 O O . HOH NA 4 . ? -22.678 -3.870 32.154 1.0 8.82 ? 325 HOH NA O 1 325 . A HETATM 3961 O O . HOH NA 4 . ? -22.049 -14.247 33.538 1.0 12.33 ? 326 HOH NA O 1 326 . A HETATM 3962 O O . HOH NA 4 . ? -4.146 -24.370 39.727 1.0 23.25 ? 327 HOH NA O 1 327 . A HETATM 3963 O O . HOH NA 4 . ? -6.135 -17.752 32.196 1.0 17.25 ? 328 HOH NA O 1 328 . A HETATM 3964 O O . HOH NA 4 . ? -11.969 -12.586 25.658 1.0 47.48 ? 329 HOH NA O 1 329 . A HETATM 3965 O O . HOH NA 4 . ? -7.766 -27.425 33.877 1.0 44.42 ? 330 HOH NA O 1 330 . A HETATM 3966 O O . HOH NA 4 . ? -4.387 -19.107 41.481 1.0 14.08 ? 331 HOH NA O 1 331 . A HETATM 3967 O O . HOH NA 4 . ? -4.190 -20.199 43.807 1.0 25.47 ? 332 HOH NA O 1 332 . A HETATM 3968 O O . HOH NA 4 . ? -9.588 -29.441 38.079 1.0 30.23 ? 333 HOH NA O 1 333 . A HETATM 3969 O O . HOH NA 4 . ? -13.967 0.496 27.175 1.0 41.4 ? 334 HOH NA O 1 334 . A HETATM 3970 O O . HOH NA 4 . ? -18.022 -1.166 28.283 1.0 16.04 ? 335 HOH NA O 1 335 . A HETATM 3971 O O . HOH NA 4 . ? -18.688 -2.954 26.130 1.0 19.45 ? 336 HOH NA O 1 336 . A HETATM 3972 O O . HOH NA 4 . ? -16.794 -5.642 22.771 1.0 35.94 ? 337 HOH NA O 1 337 . A HETATM 3973 O O . HOH NA 4 . ? -17.070 -4.995 26.005 1.0 21.35 ? 338 HOH NA O 1 338 . A HETATM 3974 O O . HOH NA 4 . ? -10.312 -1.311 21.728 1.0 44.35 ? 339 HOH NA O 1 339 . A HETATM 3975 O O . HOH NA 4 . ? -17.356 2.886 35.716 1.0 22.87 ? 340 HOH NA O 1 340 . A HETATM 3976 O O . HOH NA 4 . ? -22.145 2.133 36.745 1.0 18.43 ? 341 HOH NA O 1 341 . A HETATM 3977 O O . HOH NA 4 . ? -20.222 4.522 34.683 1.0 30.67 ? 342 HOH NA O 1 342 . A HETATM 3978 O O . HOH NA 4 . ? -4.021 -29.066 44.370 1.0 28.02 ? 343 HOH NA O 1 343 . A HETATM 3979 O O . HOH NA 4 . ? -11.420 -23.217 58.057 1.0 38.53 ? 344 HOH NA O 1 344 . A HETATM 3980 O O . HOH NA 4 . ? -6.298 -17.449 54.613 1.0 8.48 ? 345 HOH NA O 1 345 . A HETATM 3981 O O . HOH NA 4 . ? -2.814 -17.788 56.930 1.0 10.49 ? 346 HOH NA O 1 346 . A HETATM 3982 O O . HOH NA 4 . ? -16.409 8.088 38.984 1.0 18.55 ? 347 HOH NA O 1 347 . A HETATM 3983 O O . HOH NA 4 . ? -28.191 -17.759 38.087 1.0 5.29 ? 348 HOH NA O 1 348 . A HETATM 3984 O O . HOH NA 4 . ? -30.168 -14.783 38.087 1.0 15.41 ? 349 HOH NA O 1 349 . A HETATM 3985 O O . HOH NA 4 . ? -21.774 -11.153 33.279 1.0 24.61 ? 350 HOH NA O 1 350 . A HETATM 3986 O O . HOH NA 4 . ? -19.008 -11.619 31.411 1.0 18.3 ? 351 HOH NA O 1 351 . A HETATM 3987 O O . HOH NA 4 . ? -21.868 -24.143 41.192 1.0 17.47 ? 352 HOH NA O 1 352 . A HETATM 3988 O O . HOH NA 4 . ? -16.875 -21.480 58.389 1.0 8.17 ? 353 HOH NA O 1 353 . A HETATM 3989 O O . HOH NA 4 . ? -11.879 -19.658 56.408 1.0 16.82 ? 354 HOH NA O 1 354 . A HETATM 3990 O O . HOH NA 4 . ? -16.613 -19.344 57.030 1.0 8.81 ? 355 HOH NA O 1 355 . A HETATM 3991 O O . HOH NA 4 . ? -13.292 -18.594 58.055 1.0 24.37 ? 356 HOH NA O 1 356 . A HETATM 3992 O O . HOH NA 4 . ? -2.844 -8.961 55.595 1.0 35.13 ? 357 HOH NA O 1 357 . A HETATM 3993 O O . HOH NA 4 . ? -21.639 -5.987 63.879 1.0 7.72 ? 358 HOH NA O 1 358 . A HETATM 3994 O O . HOH NA 4 . ? -19.518 -6.460 65.768 1.0 15.14 ? 359 HOH NA O 1 359 . A HETATM 3995 O O . HOH NA 4 . ? -17.553 6.982 55.228 1.0 11.29 ? 360 HOH NA O 1 360 . A HETATM 3996 O O . HOH NA 4 . ? -16.269 8.763 53.380 1.0 17.33 ? 361 HOH NA O 1 361 . A HETATM 3997 O O . HOH NA 4 . ? -17.689 2.163 63.492 1.0 14.51 ? 362 HOH NA O 1 362 . A HETATM 3998 O O . HOH NA 4 . ? -14.213 -2.001 65.608 1.0 16.98 ? 363 HOH NA O 1 363 . A HETATM 3999 O O . HOH NA 4 . ? -11.581 -0.352 62.684 1.0 40.26 ? 364 HOH NA O 1 364 . A HETATM 4000 O O . HOH NA 4 . ? -19.583 -0.081 59.919 1.0 6.49 ? 365 HOH NA O 1 365 . A HETATM 4001 O O . HOH NA 4 . ? -12.102 -0.761 59.926 1.0 13.58 ? 366 HOH NA O 1 366 . A HETATM 4002 O O . HOH NA 4 . ? -9.523 4.167 56.669 1.0 30.03 ? 367 HOH NA O 1 367 . A HETATM 4003 O O . HOH NA 4 . ? -22.370 -3.562 59.587 1.0 4.19 ? 368 HOH NA O 1 368 . A HETATM 4004 O O . HOH NA 4 . ? -17.161 -5.057 65.199 1.0 10.69 ? 369 HOH NA O 1 369 . A HETATM 4005 O O . HOH NA 4 . ? -15.912 -2.211 69.422 1.0 2.75 ? 370 HOH NA O 1 370 . A HETATM 4006 O O . HOH NA 4 . ? -17.132 8.068 62.744 1.0 20.29 ? 371 HOH NA O 1 371 . A HETATM 4007 O O . HOH NA 4 . ? -17.560 9.016 59.888 1.0 25.12 ? 372 HOH NA O 1 372 . A HETATM 4008 O O . HOH NA 4 . ? -11.478 12.917 56.330 1.0 46.58 ? 373 HOH NA O 1 373 . A HETATM 4009 O O . HOH NA 4 . ? -20.594 5.715 61.185 1.0 12.49 ? 374 HOH NA O 1 374 . A HETATM 4010 O O . HOH NA 4 . ? -21.124 -2.737 66.729 1.0 11.23 ? 375 HOH NA O 1 375 . A HETATM 4011 O O . HOH NA 4 . ? -27.732 -8.967 69.642 1.0 36.52 ? 376 HOH NA O 1 376 . A HETATM 4012 O O . HOH NA 4 . ? -19.072 -9.682 69.184 1.0 38.25 ? 377 HOH NA O 1 377 . A HETATM 4013 O O . HOH NA 4 . ? 1.665 -4.185 38.708 1.0 20.61 ? 378 HOH NA O 1 378 . A HETATM 4014 O O . HOH NA 4 . ? -0.702 -4.877 35.425 1.0 18.09 ? 379 HOH NA O 1 379 . A HETATM 4015 O O . HOH NA 4 . ? -27.318 1.106 67.434 1.0 7.68 ? 380 HOH NA O 1 380 . A HETATM 4016 O O . HOH NA 4 . ? -17.170 -13.084 66.751 1.0 17.74 ? 381 HOH NA O 1 381 . A HETATM 4017 O O . HOH NA 4 . ? -35.991 -2.915 49.230 1.0 40.26 ? 382 HOH NA O 1 382 . A HETATM 4018 O O . HOH NA 4 . ? -28.807 -5.922 54.164 1.0 8.51 ? 383 HOH NA O 1 383 . A HETATM 4019 O O . HOH NA 4 . ? -28.776 -3.734 55.887 1.0 8.13 ? 384 HOH NA O 1 384 . A HETATM 4020 O O . HOH NA 4 . ? -31.201 -2.997 57.198 1.0 13.6 ? 385 HOH NA O 1 385 . A HETATM 4021 O O . HOH NA 4 . ? -26.699 -1.285 64.767 1.0 1.0 ? 386 HOH NA O 1 386 . A HETATM 4022 O O . HOH NA 4 . ? -20.619 -12.370 63.225 1.0 11.37 ? 387 HOH NA O 1 387 . A HETATM 4023 O O . HOH NA 4 . ? -29.049 -3.323 61.247 1.0 15.03 ? 388 HOH NA O 1 388 . A HETATM 4024 O O . HOH NA 4 . ? -23.636 9.843 58.730 1.0 16.62 ? 389 HOH NA O 1 389 . A HETATM 4025 O O . HOH NA 4 . ? -21.902 9.867 61.131 1.0 24.07 ? 390 HOH NA O 1 390 . A HETATM 4026 O O . HOH NA 4 . ? -23.921 4.635 64.157 1.0 26.52 ? 391 HOH NA O 1 391 . A HETATM 4027 O O . HOH NA 4 . ? -31.767 3.234 59.821 1.0 29.07 ? 392 HOH NA O 1 392 . A HETATM 4028 O O . HOH NA 4 . ? -14.761 10.642 56.685 1.0 29.39 ? 393 HOH NA O 1 393 . A HETATM 4029 O O . HOH NA 4 . ? -15.425 11.322 54.068 1.0 23.62 ? 394 HOH NA O 1 394 . A HETATM 4030 O O . HOH NA 4 . ? -29.586 9.664 51.908 1.0 23.68 ? 395 HOH NA O 1 395 . A HETATM 4031 O O . HOH NA 4 . ? -28.673 8.861 55.860 1.0 18.99 ? 396 HOH NA O 1 396 . A HETATM 4032 O O . HOH NA 4 . ? -29.449 12.771 46.250 1.0 38.1 ? 397 HOH NA O 1 397 . A HETATM 4033 O O . HOH NA 4 . ? -14.746 15.412 42.661 1.0 46.51 ? 398 HOH NA O 1 398 . A HETATM 4034 O O . HOH NA 4 . ? -25.086 12.983 48.099 1.0 32.68 ? 399 HOH NA O 1 399 . A HETATM 4035 O O . HOH NA 4 . ? -39.116 -0.921 47.737 1.0 39.93 ? 400 HOH NA O 1 400 . A HETATM 4036 O O . HOH NA 4 . ? -34.751 2.793 53.909 1.0 26.83 ? 401 HOH NA O 1 401 . A HETATM 4037 O O . HOH NA 4 . ? -33.481 10.305 48.588 1.0 41.12 ? 402 HOH NA O 1 402 . A HETATM 4038 O O . HOH NA 4 . ? -27.255 11.981 49.825 1.0 29.4 ? 403 HOH NA O 1 403 . A HETATM 4039 O O . HOH NA 4 . ? -33.360 7.909 44.155 1.0 21.09 ? 404 HOH NA O 1 404 . A HETATM 4040 O O . HOH NA 4 . ? -26.354 -2.118 38.525 1.0 8.82 ? 405 HOH NA O 1 405 . A HETATM 4041 O O . HOH NA 4 . ? -24.216 -4.293 34.646 1.0 18.32 ? 406 HOH NA O 1 406 . A HETATM 4042 O O . HOH NA 4 . ? -26.803 -4.534 33.447 1.0 16.02 ? 407 HOH NA O 1 407 . A HETATM 4043 O O . HOH NA 4 . ? -13.632 -16.111 31.202 1.0 19.24 ? 408 HOH NA O 1 408 . A HETATM 4044 O O . HOH NA 4 . ? -6.567 -25.094 43.378 1.0 13.59 ? 409 HOH NA O 1 409 . A HETATM 4045 O O . HOH NA 4 . ? -10.815 -22.158 52.893 1.0 27.06 ? 410 HOH NA O 1 410 . A HETATM 4046 O O . HOH NA 4 . ? -1.507 -20.275 36.740 1.0 23.31 ? 411 HOH NA O 1 411 . A HETATM 4047 O O . HOH NA 4 . ? -16.391 -15.671 66.835 1.0 15.9 ? 414 HOH NA O 1 414 . A HETATM 4048 O O . HOH NA 4 . ? -17.978 -18.673 64.204 1.0 17.99 ? 415 HOH NA O 1 415 . A HETATM 4049 O O . HOH NA 4 . ? -10.065 -4.962 54.125 1.0 15.66 ? 416 HOH NA O 1 416 . A HETATM 4050 O O . HOH NA 4 . ? -19.874 -4.846 67.985 1.0 20.55 ? 417 HOH NA O 1 417 . A HETATM 4051 O O . HOH NA 4 . ? -14.355 6.291 61.780 1.0 38.04 ? 418 HOH NA O 1 418 . A HETATM 4052 O O . HOH NA 4 . ? -7.320 1.555 52.485 1.0 17.25 ? 419 HOH NA O 1 419 . A HETATM 4053 O O . HOH NA 4 . ? -28.553 -5.511 71.494 1.0 42.66 ? 420 HOH NA O 1 420 . A HETATM 4054 O O . HOH NA 4 . ? -27.938 -18.306 62.980 1.0 34.98 ? 421 HOH NA O 1 421 . A HETATM 4055 O O . HOH NA 4 . ? -0.737 -19.375 56.147 1.0 17.68 ? 422 HOH NA O 1 422 . A HETATM 4056 O O . HOH NA 4 . ? -21.595 -23.587 45.376 1.0 26.09 ? 423 HOH NA O 1 423 . A HETATM 4057 O O . HOH NA 4 . ? -14.609 -22.019 56.987 1.0 17.4 ? 424 HOH NA O 1 424 . A HETATM 4058 O O . HOH NA 4 . ? -1.508 -22.460 34.835 1.0 22.67 ? 425 HOH NA O 1 425 . A HETATM 4059 O O . HOH NA 4 . ? 1.588 -10.961 28.384 1.0 51.5 ? 426 HOH NA O 1 426 . A HETATM 4060 O O . HOH NA 4 . ? -29.134 -6.519 66.632 1.0 39.67 ? 427 HOH NA O 1 427 . A HETATM 4061 O O . HOH NA 4 . ? -20.294 -15.275 31.550 1.0 19.84 ? 428 HOH NA O 1 428 . A HETATM 4062 O O . HOH NA 4 . ? -27.766 -19.757 36.513 1.0 17.04 ? 429 HOH NA O 1 429 . A HETATM 4063 O O . HOH NA 4 . ? -23.089 -8.672 32.202 1.0 21.53 ? 430 HOH NA O 1 430 . A HETATM 4064 O O . HOH NA 4 . ? -27.951 8.396 61.506 1.0 21.02 ? 431 HOH NA O 1 431 . A HETATM 4065 O O . HOH NA 4 . ? -26.369 9.394 59.065 1.0 17.5 ? 432 HOH NA O 1 432 . A HETATM 4066 O O . HOH NA 4 . ? -29.452 6.494 63.281 1.0 19.13 ? 433 HOH NA O 1 433 . A HETATM 4067 O O . HOH NA 4 . ? -20.206 8.242 59.519 1.0 14.32 ? 434 HOH NA O 1 434 . A HETATM 4068 O O . HOH NA 4 . ? -17.455 11.612 60.121 1.0 29.32 ? 435 HOH NA O 1 435 . A HETATM 4069 O O . HOH NA 4 . ? -32.282 3.048 51.272 1.0 12.71 ? 436 HOH NA O 1 436 . A HETATM 4070 O O . HOH NA 4 . ? -4.321 -28.938 37.947 1.0 50.75 ? 437 HOH NA O 1 437 . A HETATM 4071 O O . HOH NA 4 . ? -35.401 0.495 42.361 1.0 21.26 ? 438 HOH NA O 1 438 . A HETATM 4072 O O . HOH NA 4 . ? -27.490 4.205 47.451 1.0 10.35 ? 439 HOH NA O 1 439 . A HETATM 4073 O O . HOH NA 4 . ? -31.378 -4.688 42.566 1.0 33.92 ? 440 HOH NA O 1 440 . A HETATM 4074 O O . HOH NA 4 . ? -31.638 1.554 55.113 1.0 20.63 ? 441 HOH NA O 1 441 . A HETATM 4075 O O . HOH NA 4 . ? -11.441 7.569 44.909 1.0 31.08 ? 442 HOH NA O 1 442 . A HETATM 4076 O O . HOH NA 4 . ? -20.481 13.029 39.588 1.0 37.18 ? 443 HOH NA O 1 443 . A HETATM 4077 O O . HOH NA 4 . ? -16.581 11.111 40.544 1.0 29.17 ? 444 HOH NA O 1 444 . A HETATM 4078 O O . HOH NA 4 . ? -9.561 6.749 38.765 1.0 15.94 ? 445 HOH NA O 1 445 . A HETATM 4079 O O . HOH NA 4 . ? -1.877 -1.241 50.580 1.0 32.64 ? 446 HOH NA O 1 446 . A HETATM 4080 O O . HOH NA 4 . ? 0.952 -2.954 43.102 1.0 23.24 ? 447 HOH NA O 1 447 . A HETATM 4081 O O . HOH NA 4 . ? -20.382 12.829 57.937 1.0 28.61 ? 448 HOH NA O 1 448 . A HETATM 4082 O O . HOH NA 4 . ? -13.966 5.514 56.380 1.0 19.11 ? 449 HOH NA O 1 449 . A HETATM 4083 O O . HOH NA 4 . ? -0.180 -6.113 38.077 1.0 12.82 ? 450 HOH NA O 1 450 . A HETATM 4084 O O . HOH NA 4 . ? 1.304 -4.883 45.002 1.0 15.04 ? 451 HOH NA O 1 451 . A HETATM 4085 O O . HOH NA 4 . ? -28.074 -8.313 62.582 1.0 19.48 ? 452 HOH NA O 1 452 . A HETATM 4086 O O . HOH NA 4 . ? -1.881 5.798 39.445 1.0 34.78 ? 453 HOH NA O 1 453 . A HETATM 4087 O O . HOH NA 4 . ? -3.038 2.967 38.165 1.0 38.35 ? 454 HOH NA O 1 454 . A HETATM 4088 O O . HOH NA 4 . ? -4.190 5.383 35.994 1.0 16.72 ? 455 HOH NA O 1 455 . A HETATM 4089 O O . HOH NA 4 . ? 1.476 -8.647 38.346 1.0 14.12 ? 456 HOH NA O 1 456 . A HETATM 4090 O O . HOH NA 4 . ? -18.286 -25.863 31.606 1.0 23.43 ? 457 HOH NA O 1 457 . A HETATM 4091 O O . HOH NA 4 . ? -25.424 -18.019 33.760 1.0 40.15 ? 458 HOH NA O 1 458 . A HETATM 4092 O O . HOH NA 4 . ? -26.058 -22.572 48.396 1.0 13.78 ? 459 HOH NA O 1 459 . A HETATM 4093 O O . HOH NA 4 . ? -16.418 -25.077 54.227 1.0 17.69 ? 460 HOH NA O 1 460 . A HETATM 4094 O O . HOH NA 4 . ? -20.119 -1.218 30.150 1.0 37.95 ? 461 HOH NA O 1 461 . A HETATM 4095 O O . HOH NA 4 . ? -3.140 -22.014 40.449 1.0 29.04 ? 462 HOH NA O 1 462 . A HETATM 4096 O O . HOH NA 4 . ? -2.784 -22.902 43.535 1.0 14.62 ? 463 HOH NA O 1 463 . A HETATM 4097 O O . HOH NA 4 . ? -0.549 -23.263 45.168 1.0 17.75 ? 464 HOH NA O 1 464 . A HETATM 4098 O O . HOH NA 4 . ? 1.510 -25.035 35.395 1.0 22.69 ? 465 HOH NA O 1 465 . A HETATM 4099 O O . HOH NA 4 . ? -5.846 -29.521 36.026 1.0 40.47 ? 466 HOH NA O 1 466 . A HETATM 4100 O O . HOH NA 4 . ? -0.845 -27.451 38.598 1.0 18.88 ? 467 HOH NA O 1 467 . A HETATM 4101 O O . HOH NA 4 . ? -3.126 -27.470 42.080 1.0 24.19 ? 468 HOH NA O 1 468 . A HETATM 4102 O O . HOH NA 4 . ? -17.030 -24.950 47.858 1.0 20.81 ? 469 HOH NA O 1 469 . A HETATM 4103 O O . HOH NA 4 . ? -9.671 -36.639 36.963 1.0 46.22 ? 470 HOH NA O 1 470 . A HETATM 4104 O O . HOH NA 4 . ? -13.001 -40.171 38.400 1.0 42.82 ? 471 HOH NA O 1 471 . A HETATM 4105 O O . HOH NA 4 . ? -20.433 -13.130 30.766 1.0 38.85 ? 472 HOH NA O 1 472 . A HETATM 4106 O O . HOH NA 4 . ? -23.697 -21.677 34.648 1.0 32.92 ? 473 HOH NA O 1 473 . A HETATM 4107 O O . HOH NA 4 . ? -27.163 -15.548 32.426 1.0 26.31 ? 474 HOH NA O 1 474 . A HETATM 4108 O O . HOH NA 4 . ? 1.514 -8.390 29.244 1.0 45.27 ? 475 HOH NA O 1 475 . A HETATM 4109 O O . HOH NA 4 . ? -10.086 -13.826 30.134 1.0 22.52 ? 476 HOH NA O 1 476 . A HETATM 4110 O O . HOH NA 4 . ? 3.517 -16.498 31.831 1.0 33.8 ? 477 HOH NA O 1 477 . A HETATM 4111 O O . HOH NA 4 . ? -0.485 -11.901 29.284 1.0 45.51 ? 478 HOH NA O 1 478 . A HETATM 4112 O O . HOH NA 4 . ? -13.547 1.169 30.782 1.0 24.79 ? 479 HOH NA O 1 479 . A HETATM 4113 O O . HOH NA 4 . ? -10.806 -0.520 25.285 1.0 28.62 ? 480 HOH NA O 1 480 . A HETATM 4114 O O . HOH NA 4 . ? -34.040 -5.455 52.044 1.0 24.7 ? 481 HOH NA O 1 481 . A HETATM 4115 O O . HOH NA 4 . ? -10.786 -27.574 52.424 1.0 45.85 ? 482 HOH NA O 1 482 . A HETATM 4116 O O . HOH NA 4 . ? -9.690 -19.714 55.517 1.0 29.39 ? 483 HOH NA O 1 483 . A HETATM 4117 O O . HOH NA 4 . ? -6.649 -22.604 52.813 1.0 21.57 ? 484 HOH NA O 1 484 . A HETATM 4118 O O . HOH NA 4 . ? -19.028 -25.533 59.358 1.0 46.56 ? 485 HOH NA O 1 485 . A HETATM 4119 O O . HOH NA 4 . ? -15.148 -21.417 60.112 1.0 38.9 ? 486 HOH NA O 1 486 . A HETATM 4120 O O . HOH NA 4 . ? -4.889 -19.720 57.130 1.0 21.26 ? 487 HOH NA O 1 487 . A HETATM 4121 O O . HOH NA 4 . ? -19.144 -26.769 46.962 1.0 35.37 ? 488 HOH NA O 1 488 . A HETATM 4122 O O . HOH NA 4 . ? -14.406 -28.551 45.305 1.0 46.09 ? 489 HOH NA O 1 489 . A HETATM 4123 O O . HOH NA 4 . ? 4.008 -10.735 58.203 1.0 30.74 ? 490 HOH NA O 1 490 . A HETATM 4124 O O . HOH NA 4 . ? -11.292 -7.658 66.721 1.0 30.76 ? 491 HOH NA O 1 491 . A HETATM 4125 O O . HOH NA 4 . ? -7.989 -8.177 55.948 1.0 11.4 ? 492 HOH NA O 1 492 . A HETATM 4126 O O . HOH NA 4 . ? -8.387 -22.497 56.813 1.0 38.91 ? 493 HOH NA O 1 493 . A HETATM 4127 O O . HOH NA 4 . ? -16.217 8.310 57.531 1.0 19.52 ? 495 HOH NA O 1 495 . A HETATM 4128 O O . HOH NA 4 . ? -25.529 13.685 42.898 1.0 29.91 ? 496 HOH NA O 1 496 . A HETATM 4129 O O . HOH NA 4 . ? -5.903 3.927 49.687 1.0 37.89 ? 497 HOH NA O 1 497 . A HETATM 4130 O O . HOH NA 4 . ? -0.111 -0.729 44.349 1.0 23.52 ? 498 HOH NA O 1 498 . A HETATM 4131 O O . HOH NA 4 . ? 0.390 -2.422 35.132 1.0 24.06 ? 499 HOH NA O 1 499 . A HETATM 4132 O O . HOH NA 4 . ? -28.454 -31.076 53.535 1.0 48.25 ? 500 HOH NA O 1 500 . A HETATM 4133 O O . HOH NA 4 . ? -11.966 -3.394 64.142 1.0 14.12 ? 501 HOH NA O 1 501 . A HETATM 4134 O O . HOH NA 4 . ? -26.836 -7.670 67.332 1.0 23.36 ? 502 HOH NA O 1 502 . A HETATM 4135 O O . HOH NA 4 . ? -24.261 -16.834 58.619 1.0 21.4 ? 503 HOH NA O 1 503 . A HETATM 4136 O O . HOH NA 4 . ? -31.418 -0.824 38.107 1.0 31.06 ? 504 HOH NA O 1 504 . A HETATM 4137 O O . HOH NA 4 . ? -29.740 8.037 41.390 1.0 28.47 ? 505 HOH NA O 1 505 . A HETATM 4138 O O . HOH NA 4 . ? -11.528 -12.555 28.559 1.0 38.05 ? 506 HOH NA O 1 506 . A HETATM 4139 O O . HOH NA 4 . ? -34.052 10.435 45.867 1.0 39.82 ? 507 HOH NA O 1 507 . A HETATM 4140 O O . HOH NA 4 . ? -10.224 -2.334 58.698 1.0 18.04 ? 508 HOH NA O 1 508 . A HETATM 4141 O O . HOH NA 4 . ? -7.378 -27.635 44.042 1.0 24.09 ? 509 HOH NA O 1 509 . A HETATM 4142 O O . HOH NA 4 . ? -8.821 -27.895 46.031 1.0 32.74 ? 510 HOH NA O 1 510 . A HETATM 4143 O O . HOH NA 4 . ? -21.264 -10.451 30.719 1.0 28.15 ? 511 HOH NA O 1 511 . A HETATM 4144 O O . HOH NA 4 . ? -3.884 -0.233 29.046 1.0 25.4 ? 512 HOH NA O 1 512 . A HETATM 4145 O O . HOH NA 4 . ? -20.940 15.894 60.855 1.0 41.23 ? 513 HOH NA O 1 513 . A HETATM 4146 O O . HOH NA 4 . ? -12.502 8.128 50.189 1.0 37.2 ? 514 HOH NA O 1 514 . A HETATM 4147 O O . HOH NA 4 . ? -16.651 17.792 50.297 1.0 45.58 ? 515 HOH NA O 1 515 . A HETATM 4148 O O . HOH NA 4 . ? -4.570 0.861 52.168 1.0 38.31 ? 516 HOH NA O 1 516 . A HETATM 4149 O O . HOH NA 4 . ? -4.609 -6.698 59.199 1.0 44.88 ? 517 HOH NA O 1 517 . A HETATM 4150 O O . HOH NA 4 . ? -5.868 -1.910 55.647 1.0 26.79 ? 518 HOH NA O 1 518 . A HETATM 4151 O O . HOH NA 4 . ? 1.534 -5.478 52.678 1.0 29.12 ? 519 HOH NA O 1 519 . A HETATM 4152 O O . HOH NA 4 . ? -25.208 -24.020 46.290 1.0 29.02 ? 520 HOH NA O 1 520 . A HETATM 4153 O O . HOH NA 4 . ? -14.143 7.165 52.566 1.0 24.95 ? 521 HOH NA O 1 521 . A HETATM 4154 O O . HOH NA 4 . ? -9.682 6.163 54.300 1.0 39.25 ? 522 HOH NA O 1 522 . A HETATM 4155 O O . HOH NA 4 . ? -17.850 8.331 36.298 1.0 41.64 ? 523 HOH NA O 1 523 . A HETATM 4156 O O . HOH NA 4 . ? -6.838 8.305 54.199 1.0 45.09 ? 524 HOH NA O 1 524 . A HETATM 4157 O O . HOH NA 4 . ? -8.380 -41.567 36.775 1.0 47.58 ? 526 HOH NA O 1 526 . A HETATM 4158 O O . HOH NA 4 . ? -21.405 13.019 60.534 1.0 40.04 ? 527 HOH NA O 1 527 . A HETATM 4159 O O . HOH NA 4 . ? -15.224 -25.532 31.456 1.0 31.7 ? 528 HOH NA O 1 528 . A HETATM 4160 O O . HOH NA 4 . ? -8.375 -21.633 28.553 1.0 45.86 ? 529 HOH NA O 1 529 . A HETATM 4161 O O . HOH NA 4 . ? -23.229 -22.722 43.274 1.0 26.58 ? 530 HOH NA O 1 530 . A HETATM 4162 O O . HOH NA 4 . ? -13.888 6.948 58.773 1.0 41.57 ? 531 HOH NA O 1 531 . A HETATM 4163 O O . HOH NA 4 . ? -18.152 -23.924 28.978 1.0 48.85 ? 532 HOH NA O 1 532 . A HETATM 4164 O O . HOH NA 4 . ? -24.200 -28.832 45.675 1.0 45.0 ? 533 HOH NA O 1 533 . A HETATM 4165 O O . HOH NA 4 . ? -21.908 -26.202 52.606 1.0 22.82 ? 534 HOH NA O 1 534 . A HETATM 4166 O O . HOH NA 4 . ? -18.529 -32.409 48.984 1.0 46.98 ? 535 HOH NA O 1 535 . A HETATM 4167 O O . HOH NA 4 . ? -19.797 -21.935 58.654 1.0 36.09 ? 536 HOH NA O 1 536 . A HETATM 4168 O O . HOH NA 4 . ? -18.699 -22.962 62.192 1.0 43.59 ? 537 HOH NA O 1 537 . A HETATM 4169 O O . HOH NA 4 . ? -29.653 -13.387 62.467 1.0 27.31 ? 538 HOH NA O 1 538 . A HETATM 4170 O O . HOH NA 4 . ? -26.961 -13.190 63.746 1.0 17.12 ? 539 HOH NA O 1 539 . A HETATM 4171 O O . HOH NA 4 . ? -27.940 -14.967 59.681 1.0 27.05 ? 540 HOH NA O 1 540 . A HETATM 4172 O O . HOH NA 4 . ? -26.444 -25.253 53.932 1.0 32.57 ? 541 HOH NA O 1 541 . A HETATM 4173 O O . HOH NA 4 . ? -24.380 -14.617 67.713 1.0 29.62 ? 542 HOH NA O 1 542 . A HETATM 4174 O O . HOH NA 4 . ? -10.834 -9.379 61.082 1.0 19.66 ? 543 HOH NA O 1 543 . A HETATM 4175 O O . HOH NA 4 . ? 3.565 -5.986 35.370 1.0 35.91 ? 544 HOH NA O 1 544 . A HETATM 4176 O O . HOH NA 4 . ? -3.268 -9.866 31.046 1.0 26.51 ? 545 HOH NA O 1 545 . A HETATM 4177 O O . HOH NA 4 . ? -15.619 -6.758 67.874 1.0 17.44 ? 546 HOH NA O 1 546 . A HETATM 4178 O O . HOH NA 4 . ? -18.506 -11.481 64.835 1.0 17.0 ? 547 HOH NA O 1 547 . A HETATM 4179 O O . HOH NA 4 . ? -18.774 -8.981 66.467 1.0 20.29 ? 548 HOH NA O 1 548 . A HETATM 4180 O O . HOH NA 4 . ? -22.204 -1.507 74.096 1.0 25.49 ? 549 HOH NA O 1 549 . A HETATM 4181 O O . HOH NA 4 . ? -28.775 -2.122 67.462 1.0 28.59 ? 550 HOH NA O 1 550 . A HETATM 4182 O O . HOH NA 4 . ? -29.105 -2.011 65.030 1.0 15.84 ? 551 HOH NA O 1 551 . A HETATM 4183 O O . HOH NA 4 . ? -30.697 0.326 66.398 1.0 21.77 ? 552 HOH NA O 1 552 . A HETATM 4184 O O . HOH NA 4 . ? -9.157 -25.905 47.841 1.0 27.07 ? 553 HOH NA O 1 553 . A HETATM 4185 O O . HOH NA 4 . ? -9.347 -23.075 50.783 1.0 33.94 ? 554 HOH NA O 1 554 . A HETATM 4186 O O . HOH NA 4 . ? -10.444 -30.780 32.870 1.0 42.06 ? 555 HOH NA O 1 555 . A HETATM 4187 O O . HOH NA 4 . ? -22.717 -27.189 44.621 1.0 42.07 ? 556 HOH NA O 1 556 . A HETATM 4188 O O . HOH NA 4 . ? -28.073 -12.081 51.061 1.0 21.96 ? 557 HOH NA O 1 557 . A HETATM 4189 O O . HOH NA 4 . ? -8.060 -8.309 27.190 1.0 41.11 ? 558 HOH NA O 1 558 . A HETATM 4190 O O . HOH NA 4 . ? -22.968 -36.173 27.060 1.0 44.24 ? 559 HOH NA O 1 559 . A HETATM 4191 O O . HOH NA 4 . ? -24.054 -27.501 32.361 1.0 45.3 ? 560 HOH NA O 1 560 . A HETATM 4192 O O . HOH NA 4 . ? -13.990 -12.059 30.536 1.0 35.19 ? 561 HOH NA O 1 561 . A HETATM 4193 O O . HOH NA 4 . ? -6.986 -17.169 29.543 1.0 36.94 ? 562 HOH NA O 1 562 . A HETATM 4194 O O . HOH NA 4 . ? -8.321 -12.268 31.368 1.0 36.01 ? 563 HOH NA O 1 563 . A HETATM 4195 O O . HOH NA 4 . ? -24.401 -28.291 24.564 1.0 43.64 ? 564 HOH NA O 1 564 . A HETATM 4196 O O . HOH NA 4 . ? -8.702 -39.134 36.299 1.0 50.65 ? 565 HOH NA O 1 565 . A HETATM 4197 O O . HOH NA 4 . ? -15.596 -31.151 35.169 1.0 38.78 ? 566 HOH NA O 1 566 . A HETATM 4198 O O . HOH NA 4 . ? -11.880 -24.538 28.707 1.0 45.84 ? 567 HOH NA O 1 567 . A HETATM 4199 O O . HOH NA 4 . ? -37.161 2.718 41.317 1.0 47.36 ? 568 HOH NA O 1 568 . A HETATM 4200 O O . HOH NA 4 . ? -29.653 -21.206 35.004 1.0 40.54 ? 569 HOH NA O 1 569 . A HETATM 4201 O O . HOH NA 4 . ? -7.314 3.485 54.694 1.0 40.99 ? 570 HOH NA O 1 570 . A HETATM 4202 O O . HOH NA 4 . ? -14.326 6.758 45.925 1.0 19.16 ? 571 HOH NA O 1 571 . A HETATM 4203 O O . HOH NA 4 . ? -28.074 16.768 40.167 1.0 44.17 ? 572 HOH NA O 1 572 . A HETATM 4204 O O . HOH NA 4 . ? -25.786 14.556 51.338 1.0 38.41 ? 573 HOH NA O 1 573 . A HETATM 4205 O O . HOH NA 4 . ? -27.067 12.275 46.504 1.0 46.47 ? 574 HOH NA O 1 574 . A HETATM 4206 O O . HOH NA 4 . ? -14.362 2.916 35.592 1.0 34.04 ? 575 HOH NA O 1 575 . A HETATM 4207 O O . HOH NA 4 . ? 1.169 2.984 43.644 1.0 43.34 ? 576 HOH NA O 1 576 . A HETATM 4208 O O . HOH NA 4 . ? -16.705 8.720 31.883 1.0 44.55 ? 577 HOH NA O 1 577 . A HETATM 4209 O O . HOH NA 4 . ? -1.590 -2.783 48.319 1.0 35.26 ? 578 HOH NA O 1 578 . A HETATM 4210 O O . HOH NA 4 . ? -3.195 8.643 38.825 1.0 39.47 ? 579 HOH NA O 1 579 . A HETATM 4211 O O . HOH NA 4 . ? -28.081 13.707 54.894 1.0 39.97 ? 580 HOH NA O 1 580 . A HETATM 4212 O O . HOH NA 4 . ? -29.140 11.675 56.742 1.0 36.82 ? 581 HOH NA O 1 581 . A HETATM 4213 O O . HOH NA 4 . ? -17.718 14.198 57.245 1.0 39.74 ? 582 HOH NA O 1 582 . A HETATM 4214 O O . HOH NA 4 . ? -1.227 -25.012 35.165 1.0 24.97 ? 583 HOH NA O 1 583 . A HETATM 4215 O O . HOH NA 4 . ? -6.925 -27.962 30.203 1.0 42.72 ? 584 HOH NA O 1 584 . A HETATM 4216 O O . HOH NA 4 . ? -31.207 6.679 39.204 1.0 35.64 ? 585 HOH NA O 1 585 . A HETATM 4217 O O . HOH NA 4 . ? -14.738 -1.387 25.936 1.0 39.52 ? 586 HOH NA O 1 586 . A HETATM 4218 O O . HOH NA 4 . ? -4.150 4.344 48.163 1.0 42.08 ? 587 HOH NA O 1 587 . A HETATM 4219 O O . HOH NA 4 . ? -15.751 9.858 36.773 1.0 40.07 ? 588 HOH NA O 1 588 . A HETATM 4220 O O . HOH NA 4 . ? -13.262 13.513 43.372 1.0 41.31 ? 589 HOH NA O 1 589 . A HETATM 4221 O O . HOH NA 4 . ? 4.631 -1.537 40.335 1.0 46.06 ? 590 HOH NA O 1 590 . A HETATM 4222 O O . HOH NA 4 . ? -3.665 -3.781 56.147 1.0 40.68 ? 591 HOH NA O 1 591 . A HETATM 4223 O O . HOH NA 4 . ? -19.594 19.130 48.115 1.0 47.92 ? 592 HOH NA O 1 592 . A HETATM 4224 O O . HOH NA 4 . ? -18.992 17.591 54.397 1.0 42.07 ? 593 HOH NA O 1 593 . A HETATM 4225 O O . HOH NA 4 . ? -28.557 8.289 38.830 1.0 35.84 ? 594 HOH NA O 1 594 . A HETATM 4226 O O . HOH NA 4 . ? -16.974 -28.214 21.176 1.0 46.89 ? 595 HOH NA O 1 595 . A HETATM 4227 O O . HOH NA 4 . ? -12.506 -19.366 25.890 1.0 45.18 ? 596 HOH NA O 1 596 . A HETATM 4228 O O . HOH NA 4 . ? -3.251 -24.503 32.013 1.0 44.53 ? 597 HOH NA O 1 597 . A HETATM 4229 O O . HOH NA 4 . ? -29.930 0.304 60.675 1.0 36.08 ? 598 HOH NA O 1 598 . A HETATM 4230 O O . HOH NA 4 . ? -23.558 -12.525 69.249 1.0 41.53 ? 599 HOH NA O 1 599 . A HETATM 4231 O O . HOH NA 4 . ? -25.645 -26.350 50.021 1.0 40.86 ? 600 HOH NA O 1 600 . A HETATM 4232 O O . HOH NA 4 . ? -20.505 -25.387 43.118 1.0 42.8 ? 601 HOH NA O 1 601 . A HETATM 4233 O O . HOH NA 4 . ? -23.281 -26.503 39.707 1.0 43.16 ? 602 HOH NA O 1 602 . A HETATM 4234 O O . HOH NA 4 . ? -24.324 -24.779 51.845 1.0 22.94 ? 603 HOH NA O 1 603 . A HETATM 4235 O O . HOH NA 4 . ? -26.346 -28.373 53.024 1.0 41.0 ? 604 HOH NA O 1 604 . A HETATM 4236 O O . HOH NA 4 . ? -16.689 -23.611 59.622 1.0 37.31 ? 605 HOH NA O 1 605 . A HETATM 4237 O O . HOH NA 4 . ? -28.391 -14.228 57.042 1.0 29.03 ? 606 HOH NA O 1 606 . A HETATM 4238 O O . HOH NA 4 . ? -30.201 -12.968 52.579 1.0 24.2 ? 607 HOH NA O 1 607 . A HETATM 4239 O O . HOH NA 4 . ? -18.301 -22.506 56.771 1.0 22.93 ? 608 HOH NA O 1 608 . A HETATM 4240 O O . HOH NA 4 . ? -3.927 -30.649 33.857 1.0 40.7 ? 609 HOH NA O 1 609 . A HETATM 4241 O O . HOH NA 4 . ? -3.018 -19.566 22.611 1.0 38.91 ? 610 HOH NA O 1 610 . A HETATM 4242 O O . HOH NA 4 . ? -0.380 -7.223 55.157 1.0 29.38 ? 611 HOH NA O 1 611 . A HETATM 4243 O O . HOH NA 4 . ? -5.424 -9.035 56.563 1.0 15.28 ? 612 HOH NA O 1 612 . A HETATM 4244 O O . HOH NA 4 . ? -2.092 -0.260 36.024 1.0 18.67 ? 613 HOH NA O 1 613 . A HETATM 4245 O O . HOH NA 4 . ? 2.615 -2.004 36.724 1.0 27.49 ? 614 HOH NA O 1 614 . A HETATM 4246 O O . HOH NA 4 . ? -5.126 -1.781 26.041 1.0 33.54 ? 615 HOH NA O 1 615 . A HETATM 4247 O O . HOH NA 4 . ? -0.973 -9.780 32.482 1.0 36.15 ? 616 HOH NA O 1 616 . A HETATM 4248 O O . HOH NA 4 . ? -0.764 0.748 32.809 0.5 7.8 ? 617 HOH NA O 1 617 . A HETATM 4249 O O . HOH NA 4 . ? -3.415 1.244 30.639 1.0 12.13 ? 618 HOH NA O 1 618 . A HETATM 4250 O O . HOH NA 4 . ? -13.562 6.566 38.033 1.0 29.93 ? 619 HOH NA O 1 619 . A HETATM 4251 O O . HOH NA 4 . ? -20.003 11.335 33.268 1.0 40.74 ? 620 HOH NA O 1 620 . A HETATM 4252 O O . HOH NA 4 . ? -22.226 10.196 31.671 1.0 37.28 ? 621 HOH NA O 1 621 . A HETATM 4253 O O . HOH NA 4 . ? -18.678 13.484 36.433 1.0 37.0 ? 622 HOH NA O 1 622 . A HETATM 4254 O O . HOH NA 4 . ? -14.546 7.401 31.542 1.0 36.37 ? 623 HOH NA O 1 623 . A HETATM 4255 O O . HOH NA 4 . ? -26.551 8.806 35.264 1.0 35.02 ? 624 HOH NA O 1 624 . A HETATM 4256 O O . HOH NA 4 . ? -28.071 11.109 38.449 1.0 38.17 ? 625 HOH NA O 1 625 . A HETATM 4257 O O . HOH NA 4 . ? -27.659 12.675 42.017 1.0 30.31 ? 626 HOH NA O 1 626 . A HETATM 4258 O O . HOH NA 4 . ? -24.075 14.430 41.140 1.0 34.52 ? 627 HOH NA O 1 627 . A HETATM 4259 O O . HOH NA 4 . ? -21.208 15.898 45.422 1.0 30.33 ? 628 HOH NA O 1 628 . A HETATM 4260 O O . HOH NA 4 . ? -30.193 20.021 43.409 1.0 41.81 ? 629 HOH NA O 1 629 . A HETATM 4261 O O . HOH NA 4 . ? -22.541 17.851 33.614 1.0 39.87 ? 630 HOH NA O 1 630 . A HETATM 4262 O O . HOH NA 4 . ? -15.903 -40.239 39.287 1.0 37.26 ? 631 HOH NA O 1 631 . A HETATM 4263 O O . HOH NA 4 . ? -23.407 14.321 38.598 1.0 31.01 ? 632 HOH NA O 1 632 . A HETATM 4264 O O . HOH NA 4 . ? -14.595 10.379 42.306 1.0 38.05 ? 633 HOH NA O 1 633 . A HETATM 4265 O O . HOH NA 4 . ? -12.614 8.188 40.932 1.0 37.9 ? 634 HOH NA O 1 634 . A HETATM 4266 O O . HOH NA 4 . ? -13.807 11.930 52.368 1.0 34.37 ? 635 HOH NA O 1 635 . A HETATM 4267 O O . HOH NA 4 . ? -14.538 15.663 54.621 1.0 35.9 ? 636 HOH NA O 1 636 . A HETATM 4268 O O . HOH NA 4 . ? -11.596 10.601 53.607 1.0 36.96 ? 637 HOH NA O 1 637 . A HETATM 4269 O O . HOH NA 4 . ? -11.113 10.602 48.295 1.0 39.92 ? 638 HOH NA O 1 638 . A HETATM 4270 O O . HOH NA 4 . ? -15.294 16.527 51.910 1.0 39.11 ? 639 HOH NA O 1 639 . A HETATM 4271 O O . HOH NA 4 . ? -15.223 21.965 46.042 1.0 37.42 ? 640 HOH NA O 1 640 . A HETATM 4272 O O . HOH NA 4 . ? -13.112 10.188 51.021 1.0 37.79 ? 641 HOH NA O 1 641 . A HETATM 4273 O O . HOH NA 4 . ? -7.401 -1.182 53.666 1.0 26.77 ? 642 HOH NA O 1 642 . A HETATM 4274 O O . HOH NA 4 . ? -7.629 4.871 58.724 1.0 39.14 ? 643 HOH NA O 1 643 . A HETATM 4275 O O . HOH NA 4 . ? -5.247 5.456 54.806 1.0 43.19 ? 644 HOH NA O 1 644 . A HETATM 4276 O O . HOH NA 4 . ? -7.891 1.891 56.439 1.0 34.42 ? 645 HOH NA O 1 645 . A HETATM 4277 O O . HOH NA 4 . ? -10.435 -2.151 54.090 1.0 21.06 ? 646 HOH NA O 1 646 . A HETATM 4278 O O . HOH NA 4 . ? -1.779 4.124 53.482 1.0 39.49 ? 647 HOH NA O 1 647 . A HETATM 4279 O O . HOH NA 4 . ? 2.553 2.182 53.050 1.0 39.79 ? 648 HOH NA O 1 648 . A HETATM 4280 O O . HOH NA 4 . ? -4.392 -1.277 43.322 1.0 16.14 ? 649 HOH NA O 1 649 . A HETATM 4281 O O . HOH NA 4 . ? 2.225 4.470 45.062 1.0 38.8 ? 650 HOH NA O 1 650 . A HETATM 4282 O O . HOH NA 4 . ? 5.664 2.936 46.008 1.0 34.72 ? 651 HOH NA O 1 651 . A HETATM 4283 O O . HOH NA 4 . ? -4.913 9.267 47.754 1.0 36.89 ? 652 HOH NA O 1 652 . A HETATM 4284 O O . HOH NA 4 . ? 4.812 -1.045 49.523 1.0 42.21 ? 653 HOH NA O 1 653 . A HETATM 4285 O O . HOH NA 4 . ? -1.596 -0.793 46.861 1.0 25.66 ? 654 HOH NA O 1 654 . A HETATM 4286 O O . HOH NA 4 . ? -1.571 1.551 48.611 1.0 37.09 ? 655 HOH NA O 1 655 . A HETATM 4287 O O . HOH NA 4 . ? -3.720 7.166 46.411 1.0 38.18 ? 656 HOH NA O 1 656 . A HETATM 4288 O O . HOH NA 4 . ? -5.889 5.423 40.598 1.0 31.48 ? 657 HOH NA O 1 657 . A HETATM 4289 O O . HOH NA 4 . ? -3.797 6.474 41.277 1.0 36.65 ? 658 HOH NA O 1 658 . A HETATM 4290 O O . HOH NA 4 . ? -9.719 8.324 43.196 1.0 34.18 ? 659 HOH NA O 1 659 . A HETATM 4291 O O . HOH NA 4 . ? -17.978 21.920 45.509 1.0 41.94 ? 660 HOH NA O 1 660 . A HETATM 4292 O O . HOH NA 4 . ? -20.392 20.601 43.011 1.0 39.04 ? 661 HOH NA O 1 661 . A HETATM 4293 O O . HOH NA 4 . ? -32.968 9.816 53.914 1.0 23.69 ? 662 HOH NA O 1 662 . A HETATM 4294 O O . HOH NA 4 . ? -38.514 6.062 48.378 1.0 36.0 ? 663 HOH NA O 1 663 . A HETATM 4295 O O . HOH NA 4 . ? -33.796 -1.280 47.521 1.0 24.16 ? 664 HOH NA O 1 664 . A HETATM 4296 O O . HOH NA 4 . ? -37.987 -4.129 46.066 1.0 35.8 ? 665 HOH NA O 1 665 . A HETATM 4297 O O . HOH NA 4 . ? -35.330 0.202 45.888 1.0 22.09 ? 666 HOH NA O 1 666 . A HETATM 4298 O O . HOH NA 4 . ? -36.610 -6.694 52.633 1.0 15.53 ? 667 HOH NA O 1 667 . A HETATM 4299 O O . HOH NA 4 . ? -37.213 -10.576 54.365 1.0 15.81 ? 668 HOH NA O 1 668 . A HETATM 4300 O O . HOH NA 4 . ? -31.558 12.683 54.287 1.0 38.87 ? 669 HOH NA O 1 669 . A HETATM 4301 O O . HOH NA 4 . ? -34.901 9.451 51.745 1.0 37.91 ? 670 HOH NA O 1 670 . A HETATM 4302 O O . HOH NA 4 . ? -35.451 16.001 47.630 1.0 38.54 ? 671 HOH NA O 1 671 . A HETATM 4303 O O . HOH NA 4 . ? -32.964 5.559 61.590 1.0 35.34 ? 672 HOH NA O 1 672 . A HETATM 4304 O O . HOH NA 4 . ? -34.744 2.360 60.143 1.0 36.52 ? 673 HOH NA O 1 673 . A HETATM 4305 O O . HOH NA 4 . ? -36.151 6.959 55.817 1.0 40.29 ? 674 HOH NA O 1 674 . A HETATM 4306 O O . HOH NA 4 . ? -21.724 4.724 31.947 1.0 35.66 ? 675 HOH NA O 1 675 . A HETATM 4307 O O . HOH NA 4 . ? -29.767 -16.615 30.727 1.0 21.38 ? 676 HOH NA O 1 676 . A HETATM 4308 O O . HOH NA 4 . ? -25.149 -17.961 30.391 1.0 34.34 ? 677 HOH NA O 1 677 . A HETATM 4309 O O . HOH NA 4 . ? -29.470 -21.876 28.871 1.0 39.97 ? 678 HOH NA O 1 678 . A HETATM 4310 O O . HOH NA 4 . ? -10.655 -7.395 62.621 1.0 28.48 ? 679 HOH NA O 1 679 . A HETATM 4311 O O . HOH NA 4 . ? -17.191 -4.670 67.980 1.0 22.79 ? 680 HOH NA O 1 680 . A HETATM 4312 O O . HOH NA 4 . ? -3.564 -10.909 62.709 1.0 24.59 ? 681 HOH NA O 1 681 . A HETATM 4313 O O . HOH NA 4 . ? -8.388 -2.873 60.768 1.0 39.34 ? 683 HOH NA O 1 683 . A HETATM 4314 O O . HOH NA 4 . ? -5.404 -5.919 61.280 1.0 38.43 ? 684 HOH NA O 1 684 . A HETATM 4315 O O . HOH NA 4 . ? -9.519 0.620 57.825 1.0 27.8 ? 685 HOH NA O 1 685 . A HETATM 4316 O O . HOH NA 4 . ? -24.143 -24.668 29.145 1.0 36.81 ? 686 HOH NA O 1 686 . A HETATM 4317 O O . HOH NA 4 . ? -4.915 6.549 57.172 1.0 42.3 ? 687 HOH NA O 1 687 . A HETATM 4318 O O . HOH NA 4 . ? 2.844 -1.658 55.012 1.0 40.97 ? 688 HOH NA O 1 688 . A HETATM 4319 O O . HOH NA 4 . ? 5.406 5.670 55.519 1.0 39.53 ? 689 HOH NA O 1 689 . A HETATM 4320 O O . HOH NA 4 . ? -0.311 -4.343 54.606 1.0 39.79 ? 690 HOH NA O 1 690 . A HETATM 4321 O O . HOH NA 4 . ? -1.472 0.999 38.122 1.0 36.76 ? 691 HOH NA O 1 691 . A HETATM 4322 O O . HOH NA 4 . ? 0.330 -8.762 35.222 1.0 23.64 ? 692 HOH NA O 1 692 . A HETATM 4323 O O . HOH NA 4 . ? 3.297 -4.455 33.471 1.0 38.1 ? 693 HOH NA O 1 693 . A HETATM 4324 O O . HOH NA 4 . ? -5.292 -3.704 27.891 1.0 30.57 ? 694 HOH NA O 1 694 . A HETATM 4325 O O . HOH NA 4 . ? -7.951 -5.660 27.792 1.0 31.46 ? 695 HOH NA O 1 695 . A HETATM 4326 O O . HOH NA 4 . ? -9.884 -6.706 22.818 1.0 38.57 ? 696 HOH NA O 1 696 . A HETATM 4327 O O . HOH NA 4 . ? -2.771 -9.157 28.665 1.0 40.75 ? 697 HOH NA O 1 697 . A HETATM 4328 O O . HOH NA 4 . ? -19.452 -32.111 51.329 1.0 38.27 ? 698 HOH NA O 1 698 . A HETATM 4329 O O . HOH NA 4 . ? -6.200 -14.840 23.543 1.0 38.07 ? 699 HOH NA O 1 699 . A HETATM 4330 O O . HOH NA 4 . ? -23.193 16.720 58.098 1.0 33.52 ? 700 HOH NA O 1 700 . A HETATM 4331 O O . HOH NA 4 . ? -13.365 23.382 46.216 1.0 38.44 ? 701 HOH NA O 1 701 . A HETATM 4332 O O . HOH NA 4 . ? 3.351 1.536 56.777 1.0 41.72 ? 702 HOH NA O 1 702 . A HETATM 4333 O O . HOH NA 4 . ? -28.403 -27.000 51.097 1.0 35.35 ? 703 HOH NA O 1 703 . A HETATM 4334 O O . HOH NA 4 . ? -25.154 -25.500 33.647 1.0 37.91 ? 704 HOH NA O 1 704 . A HETATM 4335 O O . HOH NA 4 . ? -25.713 -30.745 31.699 1.0 39.17 ? 705 HOH NA O 1 705 . A HETATM 4336 O O . HOH NA 4 . ? -28.558 -29.947 31.219 1.0 38.53 ? 706 HOH NA O 1 706 . A HETATM 4337 O O . HOH NA 4 . ? -17.849 -30.956 38.939 1.0 40.21 ? 707 HOH NA O 1 707 . A HETATM 4338 O O . HOH NA 4 . ? -27.039 -11.281 67.857 1.0 37.8 ? 708 HOH NA O 1 708 . A HETATM 4339 O O . HOH NA 4 . ? -25.603 -11.356 69.757 1.0 19.81 ? 709 HOH NA O 1 709 . A HETATM 4340 O O . HOH NA 4 . ? -14.451 -25.522 58.094 1.0 40.69 ? 710 HOH NA O 1 710 . A HETATM 4341 O O . HOH NA 4 . ? -21.492 -17.980 66.946 1.0 27.11 ? 711 HOH NA O 1 711 . A HETATM 4342 O O . HOH NA 4 . ? -21.685 -15.046 66.478 1.0 19.73 ? 712 HOH NA O 1 712 . A HETATM 4343 O O . HOH NA 4 . ? -18.234 -16.978 70.843 1.0 32.71 ? 713 HOH NA O 1 713 . A HETATM 4344 O O . HOH NA 4 . ? -18.643 -14.220 70.797 1.0 27.92 ? 714 HOH NA O 1 714 . A HETATM 4345 O O . HOH NA 4 . ? -23.742 -10.230 70.288 1.0 39.6 ? 715 HOH NA O 1 715 . A HETATM 4346 O O . HOH NA 4 . ? -29.335 -10.014 66.267 1.0 34.16 ? 716 HOH NA O 1 716 . A HETATM 4347 O O . HOH NA 4 . ? -10.652 -18.791 58.265 1.0 30.34 ? 717 HOH NA O 1 717 . A HETATM 4348 O O . HOH NA 4 . ? -14.071 -23.831 55.306 1.0 35.81 ? 718 HOH NA O 1 718 . A HETATM 4349 O O . HOH NA 4 . ? -14.375 -24.167 49.982 1.0 30.21 ? 719 HOH NA O 1 719 . A HETATM 4350 O O . HOH NA 4 . ? -4.057 -25.079 42.398 1.0 22.87 ? 720 HOH NA O 1 720 . A HETATM 4351 O O . HOH NA 4 . ? -3.036 -25.836 37.625 1.0 21.93 ? 721 HOH NA O 1 721 . A HETATM 4352 O O . HOH NA 4 . ? -12.268 -28.043 31.536 1.0 34.14 ? 722 HOH NA O 1 722 . A HETATM 4353 O O . HOH NA 4 . ? -13.206 -23.938 30.946 1.0 39.59 ? 723 HOH NA O 1 723 . A HETATM 4354 O O . HOH NA 4 . ? -34.630 4.396 41.656 1.0 31.48 ? 724 HOH NA O 1 724 . A HETATM 4355 O O . HOH NA 4 . ? -38.402 6.109 39.965 1.0 40.42 ? 725 HOH NA O 1 725 . A HETATM 4356 O O . HOH NA 4 . ? 0.432 -13.461 64.973 1.0 27.95 ? 726 HOH NA O 1 726 . A HETATM 4357 O O . HOH NA 4 . ? -10.114 -1.709 63.929 1.0 32.93 ? 727 HOH NA O 1 727 . A HETATM 4358 O O . HOH NA 4 . ? -25.418 -19.758 35.798 1.0 36.87 ? 728 HOH NA O 1 728 . A HETATM 4359 O O . HOH NA 4 . ? -0.486 1.988 52.964 1.0 37.33 ? 729 HOH NA O 1 729 . A HETATM 4360 O O . HOH NA 4 . ? -1.849 -2.220 53.815 1.0 35.02 ? 730 HOH NA O 1 730 . A HETATM 4361 O O . HOH NA 4 . ? -20.875 -24.417 47.866 1.0 35.78 ? 731 HOH NA O 1 731 . A HETATM 4362 O O . HOH NA 4 . ? -27.841 -25.958 49.165 1.0 31.79 ? 732 HOH NA O 1 732 . A HETATM 4363 O O . HOH NA 4 . ? 2.382 -11.648 55.732 1.0 30.54 ? 733 HOH NA O 1 733 . A HETATM 4364 O O . HOH NA 4 . ? -18.378 -20.755 60.347 1.0 29.63 ? 734 HOH NA O 1 734 . A HETATM 4365 O O . HOH NA 4 . ? -22.494 -27.663 57.826 1.0 34.85 ? 735 HOH NA O 1 735 . A HETATM 4366 O O . HOH NA 4 . ? -25.126 -18.882 58.241 1.0 12.81 ? 736 HOH NA O 1 736 . A HETATM 4367 O O . HOH NA 4 . ? -26.096 -21.297 58.535 1.0 24.71 ? 737 HOH NA O 1 737 . A HETATM 4368 O O . HOH NA 4 . ? -24.721 -21.994 62.646 1.0 41.4 ? 738 HOH NA O 1 738 . A HETATM 4369 O O . HOH NA 4 . ? -26.270 -20.417 63.175 1.0 33.9 ? 739 HOH NA O 1 739 . A HETATM 4370 O O . HOH NA 4 . ? -18.975 -12.390 68.895 1.0 30.88 ? 740 HOH NA O 1 740 . A HETATM 4371 O O . HOH NA 4 . ? -19.231 -25.921 55.656 1.0 37.43 ? 741 HOH NA O 1 741 . A HETATM 4372 O O . HOH NA 4 . ? -21.296 -23.737 62.494 1.0 33.7 ? 742 HOH NA O 1 742 . A HETATM 4373 O O . HOH NA 4 . ? -16.978 -26.941 61.752 1.0 37.25 ? 743 HOH NA O 1 743 . A HETATM 4374 O O . HOH NA 4 . ? -28.621 -16.581 64.581 1.0 31.51 ? 744 HOH NA O 1 744 . A HETATM 4375 O O . HOH NA 4 . ? 2.044 -0.169 40.227 1.0 31.93 ? 745 HOH NA O 1 745 . A HETATM 4376 O O . HOH NA 4 . ? -30.070 0.894 30.363 1.0 27.27 ? 746 HOH NA O 1 746 . A HETATM 4377 O O . HOH NA 4 . ? -28.235 -1.258 29.215 1.0 24.21 ? 747 HOH NA O 1 747 . A HETATM 4378 O O . HOH NA 4 . ? -0.037 0.335 35.340 1.0 21.67 ? 748 HOH NA O 1 748 . A HETATM 4379 O O . HOH NA 4 . ? -23.700 -5.323 71.218 1.0 31.54 ? 749 HOH NA O 1 749 . A HETATM 4380 O O . HOH NA 4 . ? -12.114 6.901 54.922 1.0 32.71 ? 750 HOH NA O 1 750 . A HETATM 4381 O O . HOH NA 4 . ? -8.475 -34.407 36.324 1.0 38.44 ? 751 HOH NA O 1 751 . A HETATM 4382 O O . HOH NA 4 . ? -11.232 -39.729 40.170 1.0 35.4 ? 752 HOH NA O 1 752 . A HETATM 4383 O O . HOH NA 4 . ? -10.984 -31.410 41.848 1.0 38.6 ? 753 HOH NA O 1 753 . A HETATM 4384 O O . HOH NA 4 . ? -8.182 -36.512 38.928 1.0 38.0 ? 754 HOH NA O 1 754 . A HETATM 4385 O O . HOH NA 4 . ? -17.088 -31.127 36.853 1.0 33.32 ? 755 HOH NA O 1 755 . A HETATM 4386 O O . HOH NA 4 . ? -23.173 -26.898 37.133 1.0 35.51 ? 756 HOH NA O 1 756 . A HETATM 4387 O O . HOH NA 4 . ? -18.990 -29.474 50.899 1.0 38.19 ? 757 HOH NA O 1 757 . A HETATM 4388 O O . HOH NA 4 . ? -16.855 -28.193 45.578 1.0 36.19 ? 758 HOH NA O 1 758 . A HETATM 4389 O O . HOH NA 4 . ? -22.435 -26.045 59.505 1.0 36.35 ? 759 HOH NA O 1 759 . A HETATM 4390 O O . HOH NA 4 . ? -19.420 -29.099 53.516 1.0 36.87 ? 760 HOH NA O 1 760 . A HETATM 4391 O O . HOH NA 4 . ? -26.756 -27.463 56.085 1.0 33.0 ? 761 HOH NA O 1 761 . A HETATM 4392 O O . HOH NA 4 . ? -25.305 -19.825 28.615 1.0 40.03 ? 762 HOH NA O 1 762 . A HETATM 4393 O O . HOH NA 4 . ? -25.130 -38.398 28.236 1.0 34.62 ? 763 HOH NA O 1 763 . A HETATM 4394 O O . HOH NA 4 . ? -3.478 -3.271 59.828 1.0 32.4 ? 764 HOH NA O 1 764 . A HETATM 4395 O O . HOH NA 4 . ? -5.018 -10.568 65.193 1.0 24.85 ? 765 HOH NA O 1 765 . A HETATM 4396 O O . HOH NA 4 . ? -3.774 -2.705 62.602 1.0 38.8 ? 766 HOH NA O 1 766 . A HETATM 4397 O O . HOH NA 4 . ? -0.593 -2.157 58.516 1.0 36.04 ? 767 HOH NA O 1 767 . A HETATM 4398 O O . HOH NA 4 . ? -8.152 -2.618 55.599 1.0 22.7 ? 768 HOH NA O 1 768 . A HETATM 4399 O O . HOH NA 4 . ? -13.535 -7.857 67.671 1.0 30.02 ? 769 HOH NA O 1 769 . A HETATM 4400 O O . HOH NA 4 . ? 2.029 5.156 49.829 1.0 42.25 ? 770 HOH NA O 1 770 . A HETATM 4401 O O . HOH NA 4 . ? -20.730 -1.787 33.534 1.0 24.07 ? 771 HOH NA O 1 771 . A HETATM 4402 O O . HOH NA 4 . ? -23.612 2.868 32.557 1.0 31.55 ? 772 HOH NA O 1 772 . A HETATM 4403 O O . HOH NA 4 . ? -17.963 -6.879 24.710 1.0 34.96 ? 773 HOH NA O 1 773 . A HETATM 4404 O O . HOH NA 4 . ? -8.629 2.024 32.178 1.0 33.98 ? 774 HOH NA O 1 774 . A HETATM 4405 O O . HOH NA 4 . ? -15.566 3.517 27.349 1.0 39.06 ? 775 HOH NA O 1 775 . A HETATM 4406 O O . HOH NA 4 . ? -19.396 5.300 30.548 1.0 37.56 ? 776 HOH NA O 1 776 . A HETATM 4407 O O . HOH NA 4 . ? -0.853 3.172 42.374 1.0 34.31 ? 777 HOH NA O 1 777 . A HETATM 4408 O O . HOH NA 4 . ? -19.441 -28.072 25.693 1.0 41.22 ? 778 HOH NA O 1 778 . A HETATM 4409 O O . HOH NA 4 . ? -15.877 -26.272 22.832 1.0 37.13 ? 779 HOH NA O 1 779 . A HETATM 4410 O O . HOH NA 4 . ? -15.546 -26.033 20.375 1.0 40.09 ? 780 HOH NA O 1 780 . A HETATM 4411 O O . HOH NA 4 . ? -15.590 -22.987 28.967 1.0 36.96 ? 781 HOH NA O 1 781 . A HETATM 4412 O O . HOH NA 4 . ? -14.515 -29.884 33.346 1.0 37.71 ? 782 HOH NA O 1 782 . A HETATM 4413 O O . HOH NA 4 . ? -29.295 -33.070 30.332 1.0 35.65 ? 783 HOH NA O 1 783 . A HETATM 4414 O O . HOH NA 4 . ? -16.030 -29.248 41.647 1.0 32.02 ? 784 HOH NA O 1 784 . A HETATM 4415 O O . HOH NA 4 . ? -20.059 -30.134 42.058 1.0 38.8 ? 785 HOH NA O 1 785 . A HETATM 4416 O O . HOH NA 4 . ? -11.313 -29.187 44.841 1.0 25.77 ? 786 HOH NA O 1 786 . A HETATM 4417 O O . HOH NA 4 . ? -17.788 -35.902 50.070 1.0 37.0 ? 787 HOH NA O 1 787 . A HETATM 4418 O O . HOH NA 4 . ? -21.181 -32.435 49.017 1.0 37.26 ? 788 HOH NA O 1 788 . A HETATM 4419 O O . HOH NA 4 . ? -15.203 -32.900 50.610 1.0 37.68 ? 789 HOH NA O 1 789 . A HETATM 4420 O O . HOH NA 4 . ? -14.578 -30.896 49.346 1.0 40.51 ? 790 HOH NA O 1 790 . A HETATM 4421 O O . HOH NA 4 . ? -6.103 -10.513 25.138 1.0 36.87 ? 791 HOH NA O 1 791 . A HETATM 4422 O O . HOH NA 4 . ? -6.065 -12.627 28.582 1.0 38.68 ? 792 HOH NA O 1 792 . A HETATM 4423 O O . HOH NA 4 . ? -8.235 -14.603 28.778 1.0 36.13 ? 793 HOH NA O 1 793 . A HETATM 4424 O O . HOH NA 4 . ? -0.904 -8.084 25.178 1.0 36.52 ? 794 HOH NA O 1 794 . A HETATM 4425 O O . HOH NA 4 . ? -9.173 -9.571 22.190 1.0 40.19 ? 795 HOH NA O 1 795 . A HETATM 4426 O O . HOH NA 4 . ? -9.412 -5.348 25.645 1.0 40.55 ? 796 HOH NA O 1 796 . A HETATM 4427 O O . HOH NA 4 . ? -14.456 0.164 20.031 1.0 38.6 ? 797 HOH NA O 1 797 . A HETATM 4428 O O . HOH NA 4 . ? -24.428 16.538 55.568 1.0 35.54 ? 798 HOH NA O 1 798 . A HETATM 4429 O O . HOH NA 4 . ? -18.699 13.611 61.585 1.0 33.08 ? 799 HOH NA O 1 799 . A HETATM 4430 O O . HOH NA 4 . ? 0.688 -20.750 34.938 1.0 36.38 ? 800 HOH NA O 1 800 . A HETATM 4431 O O . HOH NA 4 . ? -3.776 -29.791 40.142 1.0 35.68 ? 801 HOH NA O 1 801 . A HETATM 4432 O O . HOH NA 4 . ? -35.100 0.542 52.455 1.0 33.11 ? 802 HOH NA O 1 802 . A HETATM 4433 O O . HOH NA 4 . ? -6.624 4.402 32.800 1.0 11.91 ? 803 HOH NA O 1 803 . A HETATM 4434 O O . HOH NA 4 . ? -34.603 -3.118 52.149 1.0 29.35 ? 804 HOH NA O 1 804 . A HETATM 4435 O O . HOH NA 4 . ? -25.632 -8.326 70.835 1.0 41.12 ? 805 HOH NA O 1 805 . A HETATM 4436 O O . HOH NA 4 . ? -23.105 -20.215 59.038 1.0 26.99 ? 806 HOH NA O 1 806 . A HETATM 4437 O O . HOH NA 4 . ? -12.173 9.756 56.100 1.0 37.32 ? 807 HOH NA O 1 807 . A HETATM 4438 O O . HOH NA 4 . ? -17.488 19.360 27.759 1.0 36.57 ? 808 HOH NA O 1 808 . A HETATM 4439 O O . HOH NA 4 . ? 5.296 -6.874 40.712 1.0 36.71 ? 809 HOH NA O 1 809 . A HETATM 4440 O O . HOH NA 4 . ? -34.750 0.625 39.331 1.0 38.29 ? 810 HOH NA O 1 810 . A HETATM 4441 O O . HOH NA 4 . ? 0.277 -11.582 62.187 1.0 36.99 ? 811 HOH NA O 1 811 . A HETATM 4442 O O . HOH NA 4 . ? -22.352 0.181 32.069 1.0 33.52 ? 812 HOH NA O 1 812 . A HETATM 4443 O O . HOH NA 4 . ? -23.760 1.323 30.531 1.0 36.93 ? 813 HOH NA O 1 813 . A HETATM 4444 O O . HOH NA 4 . ? -29.793 -11.269 60.883 1.0 29.45 ? 814 HOH NA O 1 814 . A HETATM 4445 O O . HOH NA 4 . ? -0.057 -9.055 57.159 1.0 34.85 ? 815 HOH NA O 1 815 . A HETATM 4446 O O . HOH NA 4 . ? -32.366 8.612 41.268 1.0 28.65 ? 816 HOH NA O 1 816 . A HETATM 4447 O O . HOH NA 4 . ? -33.306 -2.717 41.079 1.0 38.07 ? 817 HOH NA O 1 817 . A HETATM 4448 O O . HOH NA 4 . ? -32.659 -0.521 40.388 1.0 37.77 ? 818 HOH NA O 1 818 . A HETATM 4449 O O . HOH NA 4 . ? -24.505 -7.310 33.141 1.0 26.44 ? 819 HOH NA O 1 819 . A HETATM 4450 O O . HOH NA 4 . ? -24.651 -8.107 30.245 1.0 24.86 ? 820 HOH NA O 1 820 . A HETATM 4451 O O . HOH NA 4 . ? -4.938 -26.033 33.524 1.0 34.33 ? 821 HOH NA O 1 821 . A HETATM 4452 O O . HOH NA 4 . ? -35.097 -8.944 53.160 1.0 26.36 ? 822 HOH NA O 1 822 . A HETATM 4453 O O . HOH NA 4 . ? -36.848 -6.142 48.809 1.0 18.8 ? 823 HOH NA O 1 823 . A HETATM 4454 O O . HOH NA 4 . ? -36.025 -5.666 50.806 1.0 33.93 ? 824 HOH NA O 1 824 . A HETATM 4455 O O . HOH NA 4 . ? -30.410 7.949 60.710 1.0 36.81 ? 825 HOH NA O 1 825 . A HETATM 4456 O O . HOH NA 4 . ? -16.814 6.041 36.451 1.0 40.97 ? 826 HOH NA O 1 826 . A HETATM 4457 O O . HOH NA 4 . ? -20.438 3.052 36.138 1.0 14.31 ? 827 HOH NA O 1 827 . A HETATM 4458 O O . HOH NA 4 . ? -1.538 -12.776 62.069 1.0 33.31 ? 828 HOH NA O 1 828 . A HETATM 4459 O O . HOH NA 4 . ? 1.729 -11.676 64.074 1.0 40.91 ? 829 HOH NA O 1 829 . A HETATM 4460 O O . HOH NA 4 . ? -24.183 -15.490 31.701 1.0 29.89 ? 830 HOH NA O 1 830 . A HETATM 4461 O O . HOH NA 4 . ? -27.811 -20.213 29.086 1.0 36.93 ? 831 HOH NA O 1 831 . A HETATM 4462 O O . HOH NA 4 . ? -4.231 4.783 52.106 1.0 36.01 ? 832 HOH NA O 1 832 . A HETATM 4463 O O . HOH NA 4 . ? -7.865 4.283 51.348 1.0 30.05 ? 833 HOH NA O 1 833 . A HETATM 4464 O O . HOH NA 4 . ? 0.410 -2.439 46.324 1.0 32.19 ? 834 HOH NA O 1 834 . A HETATM 4465 O O . HOH NA 4 . ? -21.117 -12.103 67.428 1.0 30.6 ? 835 HOH NA O 1 835 . A HETATM 4466 O O . HOH NA 4 . ? -28.863 1.039 64.218 1.0 16.25 ? 836 HOH NA O 1 836 . A HETATM 4467 O O . HOH NA 4 . ? -29.407 1.447 28.079 1.0 21.36 ? 837 HOH NA O 1 837 . A HETATM 4468 O O . HOH NA 4 . ? -35.172 12.628 47.775 1.0 39.97 ? 838 HOH NA O 1 838 . A HETATM 4469 O O . HOH NA 4 . ? -40.550 11.133 53.572 1.0 36.22 ? 839 HOH NA O 1 839 . A HETATM 4470 O O . HOH NA 4 . ? -42.024 10.271 50.897 1.0 33.89 ? 840 HOH NA O 1 840 . A HETATM 4471 O O . HOH NA 4 . ? -8.615 11.226 44.978 1.0 35.37 ? 841 HOH NA O 1 841 . A HETATM 4472 O O . HOH NA 4 . ? -9.911 -1.402 56.543 1.0 31.0 ? 843 HOH NA O 1 843 . A HETATM 4473 O O . HOH NA 4 . ? -32.993 1.440 53.517 1.0 27.18 ? 844 HOH NA O 1 844 . A HETATM 4474 O O . HOH NA 4 . ? -11.354 -39.764 36.143 1.0 37.52 ? 845 HOH NA O 1 845 . A HETATM 4475 O O . HOH NA 4 . ? -2.519 -5.930 56.669 1.0 40.02 ? 846 HOH NA O 1 846 . A HETATM 4476 O O . HOH NA 4 . ? -6.160 -3.354 59.809 1.0 37.04 ? 847 HOH NA O 1 847 . A HETATM 4477 O O . HOH NA 4 . ? -0.754 2.639 46.579 1.0 33.82 ? 848 HOH NA O 1 848 . A HETATM 4478 O O . HOH NA 4 . ? -22.006 22.133 47.473 1.0 35.15 ? 849 HOH NA O 1 849 . A HETATM 4479 O O . HOH NA 4 . ? -19.208 17.554 42.193 1.0 33.43 ? 850 HOH NA O 1 850 . A HETATM 4480 O O . HOH NA 4 . ? -10.052 9.630 35.318 1.0 36.24 ? 851 HOH NA O 1 851 . A HETATM 4481 O O . HOH NA 4 . ? -7.354 7.327 37.540 1.0 34.19 ? 852 HOH NA O 1 852 . A HETATM 4482 O O . HOH NA 4 . ? -9.345 -18.093 29.505 1.0 36.42 ? 854 HOH NA O 1 854 . A HETATM 4483 O O . HOH NA 4 . ? -12.319 -14.871 29.561 1.0 39.29 ? 855 HOH NA O 1 855 . A HETATM 4484 O O . HOH NA 4 . ? -9.055 -15.572 31.020 1.0 35.54 ? 856 HOH NA O 1 856 . A HETATM 4485 O O . HOH NA 4 . ? -7.612 -10.741 29.643 1.0 36.25 ? 857 HOH NA O 1 857 . A HETATM 4486 O O . HOH NA 4 . ? -11.248 -6.677 24.833 1.0 35.75 ? 858 HOH NA O 1 858 . A HETATM 4487 O O . HOH NA 4 . ? -4.919 -8.371 26.718 1.0 37.11 ? 859 HOH NA O 1 859 . A HETATM 4488 O O . HOH NA 4 . ? -2.975 -6.023 27.337 1.0 38.87 ? 860 HOH NA O 1 860 . A HETATM 4489 O O . HOH NA 4 . ? 0.152 1.741 39.983 1.0 29.79 ? 861 HOH NA O 1 861 . A HETATM 4490 O O . HOH NA 4 . ? 4.151 -4.835 39.520 1.0 29.67 ? 862 HOH NA O 1 862 . A HETATM 4491 O O . HOH NA 4 . ? -23.719 -27.128 48.349 1.0 36.02 ? 863 HOH NA O 1 863 . A HETATM 4492 O O . HOH NA 4 . ? -19.047 -27.200 44.239 1.0 36.82 ? 864 HOH NA O 1 864 . A HETATM 4493 O O . HOH NA 4 . ? -20.431 -32.818 42.856 1.0 38.98 ? 865 HOH NA O 1 865 . A HETATM 4494 O O . HOH NA 4 . ? -9.110 -31.356 47.636 1.0 36.96 ? 866 HOH NA O 1 866 . A HETATM 4495 O O . HOH NA 4 . ? -15.081 -32.419 47.589 1.0 37.64 ? 867 HOH NA O 1 867 . A HETATM 4496 O O . HOH NA 4 . ? -13.865 -29.665 42.377 1.0 35.75 ? 868 HOH NA O 1 868 . A HETATM 4497 O O . HOH NA 4 . ? -15.368 -27.597 52.424 1.0 37.43 ? 869 HOH NA O 1 869 . A HETATM 4498 O O . HOH NA 4 . ? -15.044 -30.679 51.744 1.0 38.55 ? 870 HOH NA O 1 870 . A HETATM 4499 O O . HOH NA 4 . ? 2.493 -0.962 47.524 1.0 39.85 ? 871 HOH NA O 1 871 . A HETATM 4500 O O . HOH NA 4 . ? 5.157 4.458 52.342 1.0 37.87 ? 872 HOH NA O 1 872 . A HETATM 4501 O O . HOH NA 4 . ? -12.486 0.303 23.414 1.0 34.86 ? 873 HOH NA O 1 873 . A HETATM 4502 O O . HOH NA 4 . ? -25.473 17.151 53.033 1.0 37.86 ? 874 HOH NA O 1 874 . A HETATM 4503 O O . HOH NA 4 . ? -18.678 16.674 47.190 1.0 38.09 ? 875 HOH NA O 1 875 . A HETATM 4504 O O . HOH NA 4 . ? -24.239 15.954 47.073 1.0 39.35 ? 876 HOH NA O 1 876 . A HETATM 4505 O O . HOH NA 4 . ? -22.114 16.546 48.863 1.0 30.2 ? 877 HOH NA O 1 877 . A HETATM 4506 O O . HOH NA 4 . ? -10.662 13.858 40.292 1.0 39.33 ? 878 HOH NA O 1 878 . A HETATM 4507 O O . HOH NA 4 . ? -15.374 12.049 44.424 1.0 29.22 ? 879 HOH NA O 1 879 . A HETATM 4508 O O . HOH NA 4 . ? -12.320 11.399 42.408 1.0 40.5 ? 880 HOH NA O 1 880 . A HETATM 4509 O O . HOH NA 4 . ? -7.578 9.970 39.382 1.0 34.18 ? 881 HOH NA O 1 881 . A HETATM 4510 O O . HOH NA 4 . ? -27.045 -6.581 69.790 1.0 35.02 ? 882 HOH NA O 1 882 . A HETATM 4511 O O . HOH NA 4 . ? -26.606 -8.903 64.811 1.0 28.51 ? 883 HOH NA O 1 883 . A HETATM 4512 O O . HOH NA 4 . ? -28.305 -4.395 65.645 1.0 34.86 ? 884 HOH NA O 1 884 . A HETATM 4513 O O . HOH NA 4 . ? -29.212 -1.285 62.796 1.0 35.56 ? 885 HOH NA O 1 885 . A HETATM 4514 O O . HOH NA 4 . ? -0.843 -24.607 30.787 1.0 34.63 ? 886 HOH NA O 1 886 . A HETATM 4515 O O . HOH NA 4 . ? -34.636 8.320 48.452 1.0 35.84 ? 887 HOH NA O 1 887 . A HETATM 4516 O O . HOH NA 4 . ? -31.713 11.649 49.538 1.0 34.56 ? 888 HOH NA O 1 888 . A HETATM 4517 O O . HOH NA 4 . ? -37.262 14.388 54.235 1.0 40.9 ? 889 HOH NA O 1 889 . A HETATM 4518 O O . HOH NA 4 . ? -35.756 12.598 50.433 1.0 36.59 ? 890 HOH NA O 1 890 . A HETATM 4519 O O . HOH NA 4 . ? -37.036 11.685 46.331 1.0 37.78 ? 891 HOH NA O 1 891 . A HETATM 4520 O O . HOH NA 4 . ? -39.645 13.121 50.548 1.0 40.25 ? 892 HOH NA O 1 892 . A HETATM 4521 O O . HOH NA 4 . ? -37.983 7.857 43.872 1.0 33.49 ? 893 HOH NA O 1 893 . A HETATM 4522 O O . HOH NA 4 . ? -36.756 5.235 38.277 1.0 33.38 ? 894 HOH NA O 1 894 . A HETATM 4523 O O . HOH NA 4 . ? -38.770 0.616 39.822 1.0 40.89 ? 895 HOH NA O 1 895 . A HETATM 4524 O O . HOH NA 4 . ? -36.879 0.629 38.514 1.0 37.76 ? 896 HOH NA O 1 896 . A HETATM 4525 O O . HOH NA 4 . ? -33.908 -5.306 42.469 1.0 33.85 ? 897 HOH NA O 1 897 . A HETATM 4526 O O . HOH NA 4 . ? -34.016 3.073 57.826 1.0 36.26 ? 898 HOH NA O 1 898 . A HETATM 4527 O O . HOH NA 4 . ? -8.191 -34.534 40.259 1.0 38.12 ? 899 HOH NA O 1 899 . A HETATM 4528 O O . HOH NA 4 . ? -12.025 -42.251 36.840 1.0 37.91 ? 900 HOH NA O 1 900 . A HETATM 4529 O O . HOH NA 4 . ? -9.409 -42.592 41.033 1.0 38.69 ? 901 HOH NA O 1 901 . A HETATM 4530 O O . HOH NA 4 . ? -18.788 8.107 33.794 1.0 36.08 ? 902 HOH NA O 1 902 . A HETATM 4531 O O . HOH NA 4 . ? -20.842 -2.723 31.588 1.0 33.04 ? 903 HOH NA O 1 903 . A HETATM 4532 O O . HOH NA 4 . ? -27.793 -14.915 37.368 1.0 6.73 ? 904 HOH NA O 1 904 . A HETATM 4533 O O . HOH NA 4 . ? -11.112 -21.461 27.363 1.0 37.29 ? 905 HOH NA O 1 905 . A HETATM 4534 O O . HOH NA 4 . ? -21.409 -29.408 34.444 1.0 38.55 ? 906 HOH NA O 1 906 . A HETATM 4535 O O . HOH NA 4 . ? -25.710 -29.202 37.185 1.0 37.14 ? 907 HOH NA O 1 907 . A HETATM 4536 O O . HOH NA 4 . ? -18.608 -30.706 32.409 1.0 36.14 ? 908 HOH NA O 1 908 . A HETATM 4537 O O . HOH NA 4 . ? -20.088 -27.980 32.083 1.0 37.47 ? 909 HOH NA O 1 909 . A HETATM 4538 O O . HOH NA 4 . ? -20.057 -31.084 27.730 1.0 36.22 ? 910 HOH NA O 1 910 . A HETATM 4539 O O . HOH NA 4 . ? -24.138 -36.257 25.075 1.0 40.33 ? 911 HOH NA O 1 911 . A HETATM 4540 O O . HOH NA 4 . ? -22.014 -27.852 23.389 1.0 38.58 ? 912 HOH NA O 1 912 . A HETATM 4541 O O . HOH NA 4 . ? -22.537 -31.928 23.579 1.0 38.36 ? 913 HOH NA O 1 913 . A HETATM 4542 O O . HOH NA 4 . ? -6.527 -26.480 36.154 1.0 34.82 ? 914 HOH NA O 1 914 . A HETATM 4543 O O . HOH NA 4 . ? -28.043 6.754 35.182 1.0 29.28 ? 915 HOH NA O 1 915 . A HETATM 4544 O O . HOH NA 4 . ? -27.503 4.648 31.972 1.0 30.58 ? 916 HOH NA O 1 916 . A HETATM 4545 O O . HOH NA 4 . ? -4.212 -13.652 63.239 1.0 34.43 ? 917 HOH NA O 1 917 . A HETATM 4546 O O . HOH NA 4 . ? -3.043 -8.171 58.316 1.0 38.44 ? 920 HOH NA O 1 920 . A HETATM 4547 O O . HOH NA 4 . ? 0.648 -2.942 56.600 1.0 36.49 ? 921 HOH NA O 1 921 . A HETATM 4548 O O . HOH NA 4 . ? -1.443 -4.613 59.287 1.0 36.67 ? 922 HOH NA O 1 922 . A HETATM 4549 O O . HOH NA 4 . ? -4.486 0.478 58.866 1.0 40.22 ? 923 HOH NA O 1 923 . A HETATM 4550 O O . HOH NA 4 . ? -5.267 2.788 55.935 1.0 35.54 ? 924 HOH NA O 1 924 . A HETATM 4551 O O . HOH NA 4 . ? -26.220 15.648 36.703 1.0 34.85 ? 925 HOH NA O 1 925 . A HETATM 4552 O O . HOH NA 4 . ? -23.355 18.501 30.639 1.0 38.67 ? 926 HOH NA O 1 926 . A HETATM 4553 O O . HOH NA 4 . ? 5.225 5.281 64.378 1.0 39.35 ? 927 HOH NA O 1 927 . A HETATM 4554 O O . HOH NA 4 . ? -17.734 22.864 43.214 1.0 37.77 ? 928 HOH NA O 1 928 . A HETATM 4555 O O . HOH NA 4 . ? -13.558 20.502 42.702 1.0 35.66 ? 929 HOH NA O 1 929 . A HETATM 4556 O O . HOH NA 4 . ? -7.836 4.189 28.915 1.0 40.84 ? 930 HOH NA O 1 930 . A HETATM 4557 O O . HOH O 4 . ? 7.563 9.180 5.485 1.0 16.06 ? 412 HOH O O 1 412 . B HETATM 4558 O O . HOH O 4 . ? 4.657 10.385 8.417 1.0 13.14 ? 413 HOH O O 1 413 . B HETATM 4559 O O . HOH O 4 . ? 12.213 13.109 5.803 1.0 8.7 ? 494 HOH O O 1 494 . B HETATM 4560 O O . HOH O 4 . ? 4.239 6.654 8.068 1.0 26.27 ? 525 HOH O O 1 525 . B HETATM 4561 O O . HOH O 4 . ? 6.458 8.435 7.618 1.0 16.37 ? 682 HOH O O 1 682 . B HETATM 4562 O O . HOH O 4 . ? 5.399 8.554 9.603 1.0 25.25 ? 842 HOH O O 1 842 . B HETATM 4563 O O . HOH O 4 . ? 11.306 11.310 0.010 0.5 33.46 ? 853 HOH O O 1 853 . B HETATM 4564 O O . HOH O 4 . ? 8.190 5.908 2.594 1.0 32.35 ? 918 HOH O O 1 918 . B HETATM 4565 O O . HOH O 4 . ? 7.396 3.288 0.585 1.0 38.94 ? 919 HOH O O 1 919 . B HETATM 4566 O O . HOH OA 4 . ? -9.180 -7.563 60.112 1.0 16.06 ? 412 HOH OA O 1 412 . B HETATM 4567 O O . HOH OA 4 . ? -10.385 -4.657 57.180 1.0 13.14 ? 413 HOH OA O 1 413 . B HETATM 4568 O O . HOH OA 4 . ? -13.109 -12.213 59.794 1.0 8.7 ? 494 HOH OA O 1 494 . B HETATM 4569 O O . HOH OA 4 . ? -6.654 -4.239 57.529 1.0 26.27 ? 525 HOH OA O 1 525 . B HETATM 4570 O O . HOH OA 4 . ? -8.435 -6.458 57.979 1.0 16.37 ? 682 HOH OA O 1 682 . B HETATM 4571 O O . HOH OA 4 . ? -8.554 -5.399 55.994 1.0 25.25 ? 842 HOH OA O 1 842 . B HETATM 4572 O O . HOH OA 4 . ? -11.310 -11.306 65.587 0.5 33.46 ? 853 HOH OA O 1 853 . B HETATM 4573 O O . HOH OA 4 . ? -5.908 -8.190 63.003 1.0 32.35 ? 918 HOH OA O 1 918 . B HETATM 4574 O O . HOH OA 4 . ? -3.288 -7.396 65.012 1.0 38.94 ? 919 HOH OA O 1 919 . B #