data_3p6h-assembly-1 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.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 1 ? -2.178 31.443 -8.790 1.0 38.04 ? -7 GLN A N 1 1 . A ATOM 2 C CA . GLN A 1 1 ? -1.473 30.238 -8.245 1.0 37.51 ? -7 GLN A CA 1 1 . A ATOM 3 C C . GLN A 1 1 ? -0.896 29.361 -9.364 1.0 36.71 ? -7 GLN A C 1 1 . A ATOM 4 O O . GLN A 1 1 ? -1.597 29.028 -10.324 1.0 37.79 ? -7 GLN A O 1 1 . A ATOM 5 C CB . GLN A 1 1 ? -2.433 29.418 -7.360 1.0 37.94 ? -7 GLN A CB 1 1 . A ATOM 6 N N . GLN A 1 2 ? 0.384 28.998 -9.245 1.0 35.04 ? -6 GLN A N 1 2 . A ATOM 7 C CA . GLN A 1 2 ? 1.048 28.077 -10.198 1.0 33.06 ? -6 GLN A CA 1 2 . A ATOM 8 C C . GLN A 1 2 ? 1.344 26.767 -9.488 1.0 31.52 ? -6 GLN A C 1 2 . A ATOM 9 O O . GLN A 1 2 ? 1.348 26.720 -8.241 1.0 31.2 ? -6 GLN A O 1 2 . A ATOM 10 C CB . GLN A 1 2 ? 2.354 28.680 -10.755 1.0 33.9 ? -6 GLN A CB 1 2 . A ATOM 11 N N . MET A 1 3 ? 1.566 25.707 -10.279 1.0 28.67 ? -5 MET A N 1 3 . A ATOM 12 C CA . MET A 1 3 ? 1.936 24.421 -9.702 1.0 27.54 ? -5 MET A CA 1 3 . A ATOM 13 C C . MET A 1 3 ? 3.384 24.432 -9.294 1.0 26.92 ? -5 MET A C 1 3 . A ATOM 14 O O . MET A 1 3 ? 4.296 24.604 -10.128 1.0 27.43 ? -5 MET A O 1 3 . A ATOM 15 C CB . MET A 1 3 ? 1.718 23.222 -10.624 1.0 27.62 ? -5 MET A CB 1 3 . A ATOM 16 C CG . MET A 1 3 ? 1.773 21.907 -9.781 1.0 25.8 ? -5 MET A CG 1 3 . A ATOM 17 S SD . MET A 1 3 ? 1.198 20.434 -10.599 1.0 25.2 ? -5 MET A SD 1 3 . A ATOM 18 C CE . MET A 1 3 ? -0.529 20.811 -10.686 1.0 20.33 ? -5 MET A CE 1 3 . A ATOM 19 N N . GLY A 1 4 ? 3.580 24.163 -8.014 1.0 25.92 ? -4 GLY A N 1 4 . A ATOM 20 C CA . GLY A 1 4 ? 4.916 24.164 -7.433 1.0 25.32 ? -4 GLY A CA 1 4 . A ATOM 21 C C . GLY A 1 4 ? 5.624 22.926 -7.908 1.0 25.57 ? -4 GLY A C 1 4 . A ATOM 22 O O . GLY A 1 4 ? 5.006 21.938 -8.341 1.0 26.24 ? -4 GLY A O 1 4 . A ATOM 23 N N . ARG A 1 5 ? 6.934 22.974 -7.808 1.0 26.43 ? -3 ARG A N 1 5 . A ATOM 24 C CA . ARG A 1 5 ? 7.727 21.813 -8.100 1.0 25.45 ? -3 ARG A CA 1 5 . A ATOM 25 C C . ARG A 1 5 ? 7.837 20.901 -6.862 1.0 24.49 ? -3 ARG A C 1 5 . A ATOM 26 O O . ARG A 1 5 ? 7.296 21.186 -5.770 1.0 25.22 ? -3 ARG A O 1 5 . A ATOM 27 C CB . ARG A 1 5 ? 9.100 22.221 -8.648 1.0 27.41 ? -3 ARG A CB 1 5 . A ATOM 28 C CG . ARG A 1 5 ? 9.151 22.181 -10.204 1.0 32.86 ? -3 ARG A CG 1 5 . A ATOM 29 C CD . ARG A 1 5 ? 8.918 23.548 -10.823 1.0 38.78 ? -3 ARG A CD 1 5 . A ATOM 30 N NE . ARG A 1 5 ? 10.194 24.250 -11.054 1.0 42.26 ? -3 ARG A NE 1 5 . A ATOM 31 C CZ . ARG A 1 5 ? 10.769 24.471 -12.243 1.0 44.47 ? -3 ARG A CZ 1 5 . A ATOM 32 N NH1 . ARG A 1 5 ? 11.924 25.123 -12.283 1.0 44.32 ? -3 ARG A NH1 1 5 . A ATOM 33 N NH2 . ARG A 1 5 ? 10.203 24.073 -13.391 1.0 46.56 ? -3 ARG A NH2 1 5 . A ATOM 34 N N . GLY A 1 6 ? 8.487 19.772 -7.074 1.0 21.16 ? -2 GLY A N 1 6 . A ATOM 35 C CA . GLY A 1 6 ? 8.624 18.786 -6.004 1.0 19.73 ? -2 GLY A CA 1 6 . A ATOM 36 C C . GLY A 1 6 ? 9.800 19.052 -5.107 1.0 19.39 ? -2 GLY A C 1 6 . A ATOM 37 O O . GLY A 1 6 ? 10.520 20.073 -5.235 1.0 19.89 ? -2 GLY A O 1 6 . A ATOM 38 N N . SER A 1 7 ? 9.983 18.142 -4.172 1.0 17.66 ? -1 SER A N 1 7 . A ATOM 39 C CA . SER A 1 7 ? 11.140 18.260 -3.298 1.0 19.37 ? -1 SER A CA 1 7 . A ATOM 40 C C . SER A 1 7 ? 11.626 16.863 -2.933 1.0 18.96 ? -1 SER A C 1 7 . A ATOM 41 O O . SER A 1 7 ? 10.947 15.862 -3.076 1.0 17.99 ? -1 SER A O 1 7 . A ATOM 42 C CB . SER A 1 7 ? 10.767 19.065 -2.055 1.0 21.42 ? -1 SER A CB 1 7 . A ATOM 43 O OG . SER A 1 7 ? 10.093 18.277 -1.101 1.0 27.7 ? -1 SER A OG 1 7 . A ATOM 44 N N . MET A 1 8 ? 12.793 16.822 -2.358 1.0 19.93 ? 0 MET A N 1 8 . A ATOM 45 C CA . MET A 1 8 ? 13.357 15.551 -1.916 1.0 19.62 ? 0 MET A CA 1 8 . A ATOM 46 C C . MET A 1 8 ? 12.413 14.895 -0.874 1.0 18.5 ? 0 MET A C 1 8 . A ATOM 47 O O . MET A 1 8 ? 12.284 13.672 -0.863 1.0 19.52 ? 0 MET A O 1 8 . A ATOM 48 C CB . MET A 1 8 ? 14.754 15.853 -1.353 1.0 20.57 ? 0 MET A CB 1 8 . A ATOM 49 C CG . MET A 1 8 ? 15.792 14.735 -1.353 1.0 23.92 ? 0 MET A CG 1 8 . A ATOM 50 S SD . MET A 1 8 ? 16.601 14.484 0.260 1.0 34.06 ? 0 MET A SD 1 8 . A ATOM 51 C CE . MET A 1 8 ? 14.984 14.177 0.907 1.0 17.54 ? 0 MET A CE 1 8 . A ATOM 52 N N A CYS A 1 9 ? 11.764 15.742 -0.070 0.5 19.14 ? 1 CYS A N 1 9 . A ATOM 53 N N B CYS A 1 9 ? 11.742 15.679 -0.031 0.5 18.03 ? 1 CYS A N 1 9 . A ATOM 54 C CA A CYS A 1 9 ? 10.780 15.337 0.962 0.5 19.93 ? 1 CYS A CA 1 9 . A ATOM 55 C CA B CYS A 1 9 ? 10.810 15.080 0.978 0.5 17.95 ? 1 CYS A CA 1 9 . A ATOM 56 C C A CYS A 1 9 ? 9.584 14.504 0.417 0.5 18.24 ? 1 CYS A C 1 9 . A ATOM 57 C C B CYS A 1 9 ? 9.572 14.405 0.398 0.5 16.84 ? 1 CYS A C 1 9 . A ATOM 58 O O A CYS A 1 9 ? 8.893 13.799 1.176 0.5 17.83 ? 1 CYS A O 1 9 . A ATOM 59 O O B CYS A 1 9 ? 8.807 13.730 1.113 0.5 15.97 ? 1 CYS A O 1 9 . A ATOM 60 C CB A CYS A 1 9 ? 10.309 16.612 1.703 0.5 21.22 ? 1 CYS A CB 1 9 . A ATOM 61 C CB B CYS A 1 9 ? 10.356 16.117 1.984 0.5 18.45 ? 1 CYS A CB 1 9 . A ATOM 62 S SG A CYS A 1 9 ? 10.132 16.465 3.549 0.5 28.5 ? 1 CYS A SG 1 9 . A ATOM 63 S SG B CYS A 1 9 ? 11.671 16.735 2.968 0.5 23.37 ? 1 CYS A SG 1 9 . A ATOM 64 N N . ASP A 1 10 ? 9.357 14.563 -0.891 1.0 17.06 ? 2 ASP A N 1 10 . A ATOM 65 C CA . ASP A 1 10 ? 8.322 13.780 -1.544 1.0 17.98 ? 2 ASP A CA 1 10 . A ATOM 66 C C . ASP A 1 10 ? 8.510 12.268 -1.380 1.0 16.97 ? 2 ASP A C 1 10 . A ATOM 67 O O . ASP A 1 10 ? 7.548 11.561 -1.445 1.0 17.09 ? 2 ASP A O 1 10 . A ATOM 68 C CB . ASP A 1 10 ? 8.160 14.178 -3.004 1.0 19.37 ? 2 ASP A CB 1 10 . A ATOM 69 C CG . ASP A 1 10 ? 7.612 15.593 -3.186 1.0 21.56 ? 2 ASP A CG 1 10 . A ATOM 70 O OD1 . ASP A 1 10 ? 6.954 16.172 -2.281 1.0 27.62 ? 2 ASP A OD1 1 10 . A ATOM 71 O OD2 . ASP A 1 10 ? 7.901 16.149 -4.238 1.0 25.9 ? 2 ASP A OD2 1 10 . A ATOM 72 N N . ALA A 1 11 ? 9.725 11.793 -1.113 1.0 15.87 ? 3 ALA A N 1 11 . A ATOM 73 C CA . ALA A 1 11 ? 9.971 10.392 -0.845 1.0 16.62 ? 3 ALA A CA 1 11 . A ATOM 74 C C . ALA A 1 11 ? 9.228 9.902 0.391 1.0 14.5 ? 3 ALA A C 1 11 . A ATOM 75 O O . ALA A 1 11 ? 9.011 8.692 0.535 1.0 13.67 ? 3 ALA A O 1 11 . A ATOM 76 C CB . ALA A 1 11 ? 11.433 10.105 -0.666 1.0 18.46 ? 3 ALA A CB 1 11 . A ATOM 77 N N . PHE A 1 12 ? 8.927 10.812 1.310 1.0 11.42 ? 4 PHE A N 1 12 . A ATOM 78 C CA . PHE A 1 12 ? 8.191 10.478 2.537 1.0 10.62 ? 4 PHE A CA 1 12 . A ATOM 79 C C . PHE A 1 12 ? 6.690 10.526 2.391 1.0 9.73 ? 4 PHE A C 1 12 . A ATOM 80 O O . PHE A 1 12 ? 5.974 9.950 3.181 1.0 11.47 ? 4 PHE A O 1 12 . A ATOM 81 C CB . PHE A 1 12 ? 8.585 11.435 3.644 1.0 11.14 ? 4 PHE A CB 1 12 . A ATOM 82 C CG . PHE A 1 12 ? 10.024 11.274 4.087 1.0 12.02 ? 4 PHE A CG 1 12 . A ATOM 83 C CD1 . PHE A 1 12 ? 10.429 10.201 4.913 1.0 12.92 ? 4 PHE A CD1 1 12 . A ATOM 84 C CD2 . PHE A 1 12 ? 11.017 12.199 3.748 1.0 13.76 ? 4 PHE A CD2 1 12 . A ATOM 85 C CE1 . PHE A 1 12 ? 11.721 10.061 5.332 1.0 15.0 ? 4 PHE A CE1 1 12 . A ATOM 86 C CE2 . PHE A 1 12 ? 12.346 12.014 4.160 1.0 13.6 ? 4 PHE A CE2 1 12 . A ATOM 87 C CZ . PHE A 1 12 ? 12.673 10.959 4.959 1.0 13.58 ? 4 PHE A CZ 1 12 . A ATOM 88 N N . VAL A 1 13 ? 6.192 11.234 1.387 1.0 10.11 ? 5 VAL A N 1 13 . A ATOM 89 C CA . VAL A 1 13 ? 4.786 11.513 1.302 1.0 11.18 ? 5 VAL A CA 1 13 . A ATOM 90 C C . VAL A 1 13 ? 4.039 10.254 0.987 1.0 11.88 ? 5 VAL A C 1 13 . A ATOM 91 O O . VAL A 1 13 ? 4.420 9.452 0.130 1.0 14.03 ? 5 VAL A O 1 13 . A ATOM 92 C CB . VAL A 1 13 ? 4.475 12.601 0.242 1.0 12.35 ? 5 VAL A CB 1 13 . A ATOM 93 C CG1 . VAL A 1 13 ? 3.001 12.692 -0.169 1.0 15.93 ? 5 VAL A CG1 1 13 . A ATOM 94 C CG2 . VAL A 1 13 ? 5.071 13.959 0.802 1.0 13.01 ? 5 VAL A CG2 1 13 . A ATOM 95 N N . GLY A 1 14 ? 2.916 10.089 1.672 1.0 10.94 ? 6 GLY A N 1 14 . A ATOM 96 C CA . GLY A 1 14 ? 2.070 8.993 1.421 1.0 11.13 ? 6 GLY A CA 1 14 . A ATOM 97 C C . GLY A 1 14 ? 1.393 8.479 2.678 1.0 10.57 ? 6 GLY A C 1 14 . A ATOM 98 O O . GLY A 1 14 ? 1.335 9.152 3.689 1.0 11.95 ? 6 GLY A O 1 14 . A ATOM 99 N N . THR A 1 15 ? 0.918 7.265 2.578 1.0 11.03 ? 7 THR A N 1 15 . A ATOM 100 C CA . THR A 1 15 ? 0.150 6.593 3.640 1.0 11.36 ? 7 THR A CA 1 15 . A ATOM 101 C C . THR A 1 15 ? 0.946 5.319 4.002 1.0 11.19 ? 7 THR A C 1 15 . A ATOM 102 O O . THR A 1 15 ? 1.151 4.462 3.141 1.0 12.2 ? 7 THR A O 1 15 . A ATOM 103 C CB . THR A 1 15 ? -1.228 6.245 3.189 1.0 12.31 ? 7 THR A CB 1 15 . A ATOM 104 O OG1 . THR A 1 15 ? -1.839 7.380 2.568 1.0 17.59 ? 7 THR A OG1 1 15 . A ATOM 105 C CG2 . THR A 1 15 ? -2.110 5.792 4.365 1.0 15.54 ? 7 THR A CG2 1 15 . A ATOM 106 N N . TRP A 1 16 ? 1.306 5.184 5.268 1.0 9.72 ? 8 TRP A N 1 16 . A ATOM 107 C CA . TRP A 1 16 ? 2.203 4.159 5.751 1.0 9.14 ? 8 TRP A CA 1 16 . A ATOM 108 C C . TRP A 1 16 ? 1.515 3.415 6.866 1.0 10.62 ? 8 TRP A C 1 16 . A ATOM 109 O O . TRP A 1 16 ? 0.752 3.992 7.644 1.0 14.12 ? 8 TRP A O 1 16 . A ATOM 110 C CB . TRP A 1 16 ? 3.457 4.811 6.266 1.0 9.88 ? 8 TRP A CB 1 16 . A ATOM 111 C CG . TRP A 1 16 ? 4.206 5.641 5.276 1.0 9.18 ? 8 TRP A CG 1 16 . A ATOM 112 C CD1 . TRP A 1 16 ? 4.070 6.996 5.017 1.0 9.93 ? 8 TRP A CD1 1 16 . A ATOM 113 C CD2 . TRP A 1 16 ? 5.173 5.161 4.337 1.0 8.7 ? 8 TRP A CD2 1 16 . A ATOM 114 N NE1 . TRP A 1 16 ? 4.964 7.341 4.042 1.0 9.3 ? 8 TRP A NE1 1 16 . A ATOM 115 C CE2 . TRP A 1 16 ? 5.649 6.250 3.589 1.0 9.49 ? 8 TRP A CE2 1 16 . A ATOM 116 C CE3 . TRP A 1 16 ? 5.737 3.910 4.091 1.0 10.9 ? 8 TRP A CE3 1 16 . A ATOM 117 C CZ2 . TRP A 1 16 ? 6.633 6.111 2.612 1.0 11.42 ? 8 TRP A CZ2 1 16 . A ATOM 118 C CZ3 . TRP A 1 16 ? 6.705 3.770 3.134 1.0 10.0 ? 8 TRP A CZ3 1 16 . A ATOM 119 C CH2 . TRP A 1 16 ? 7.154 4.867 2.398 1.0 12.06 ? 8 TRP A CH2 1 16 . A ATOM 120 N N . LYS A 1 17 ? 1.868 2.143 7.014 1.0 10.14 ? 9 LYS A N 1 17 . A ATOM 121 C CA . LYS A 1 17 ? 1.320 1.296 8.108 1.0 10.15 ? 9 LYS A CA 1 17 . A ATOM 122 C C . LYS A 1 17 ? 2.499 0.635 8.847 1.0 9.84 ? 9 LYS A C 1 17 . A ATOM 123 O O . LYS A 1 17 ? 3.417 0.144 8.261 1.0 10.69 ? 9 LYS A O 1 17 . A ATOM 124 C CB . LYS A 1 17 ? 0.308 0.324 7.554 1.0 12.65 ? 9 LYS A CB 1 17 . A ATOM 125 C CG . LYS A 1 17 ? 0.836 -0.624 6.614 1.0 19.05 ? 9 LYS A CG 1 17 . A ATOM 126 C CD . LYS A 1 17 ? -0.134 -1.697 6.212 1.0 25.39 ? 9 LYS A CD 1 17 . A ATOM 127 C CE . LYS A 1 17 ? 0.562 -2.668 5.247 1.0 27.15 ? 9 LYS A CE 1 17 . A ATOM 128 N NZ . LYS A 1 17 ? 0.302 -2.306 3.809 1.0 33.04 ? 9 LYS A NZ 1 17 . A ATOM 129 N N . LEU A 1 18 ? 2.407 0.597 10.176 1.0 11.0 ? 10 LEU A N 1 18 . A ATOM 130 C CA . LEU A 1 18 ? 3.458 -0.022 10.979 1.0 10.74 ? 10 LEU A CA 1 18 . A ATOM 131 C C . LEU A 1 18 ? 3.411 -1.542 10.747 1.0 11.42 ? 10 LEU A C 1 18 . A ATOM 132 O O . LEU A 1 18 ? 2.332 -2.166 10.962 1.0 14.83 ? 10 LEU A O 1 18 . A ATOM 133 C CB . LEU A 1 18 ? 3.210 0.226 12.483 1.0 12.57 ? 10 LEU A CB 1 18 . A ATOM 134 C CG . LEU A 1 18 ? 4.328 -0.221 13.395 1.0 11.67 ? 10 LEU A CG 1 18 . A ATOM 135 C CD1 . LEU A 1 18 ? 5.569 0.474 13.243 1.0 12.3 ? 10 LEU A CD1 1 18 . A ATOM 136 C CD2 . LEU A 1 18 ? 3.853 -0.156 14.861 1.0 16.79 ? 10 LEU A CD2 1 18 . A ATOM 137 N N . VAL A 1 19 ? 4.568 -2.108 10.453 1.0 11.16 ? 11 VAL A N 1 19 . A ATOM 138 C CA . VAL A 1 19 ? 4.668 -3.548 10.279 1.0 14.52 ? 11 VAL A CA 1 19 . A ATOM 139 C C . VAL A 1 19 ? 5.585 -4.259 11.258 1.0 15.6 ? 11 VAL A C 1 19 . A ATOM 140 O O . VAL A 1 19 ? 5.422 -5.465 11.447 1.0 18.47 ? 11 VAL A O 1 19 . A ATOM 141 C CB . VAL A 1 19 ? 5.031 -3.942 8.857 1.0 15.84 ? 11 VAL A CB 1 19 . A ATOM 142 C CG1 . VAL A 1 19 ? 3.883 -3.528 7.929 1.0 18.01 ? 11 VAL A CG1 1 19 . A ATOM 143 C CG2 . VAL A 1 19 ? 6.428 -3.478 8.409 1.0 17.26 ? 11 VAL A CG2 1 19 . A ATOM 144 N N . SER A 1 20 ? 6.508 -3.537 11.900 1.0 13.61 ? 12 SER A N 1 20 . A ATOM 145 C CA . SER A 1 20 ? 7.379 -4.143 12.907 1.0 14.2 ? 12 SER A CA 1 20 . A ATOM 146 C C . SER A 1 20 ? 7.877 -3.122 13.859 1.0 13.01 ? 12 SER A C 1 20 . A ATOM 147 O O . SER A 1 20 ? 8.041 -1.960 13.510 1.0 12.29 ? 12 SER A O 1 20 . A ATOM 148 C CB . SER A 1 20 ? 8.506 -4.911 12.297 1.0 16.3 ? 12 SER A CB 1 20 . A ATOM 149 O OG . SER A 1 20 ? 9.449 -4.095 11.726 1.0 18.77 ? 12 SER A OG 1 20 . A ATOM 150 N N . SER A 1 21 ? 8.174 -3.578 15.056 1.0 14.13 ? 13 SER A N 1 21 . A ATOM 151 C CA . SER A 1 21 ? 8.705 -2.752 16.098 1.0 14.31 ? 13 SER A CA 1 21 . A ATOM 152 C C . SER A 1 21 ? 9.667 -3.579 16.934 1.0 14.12 ? 13 SER A C 1 21 . A ATOM 153 O O . SER A 1 21 ? 9.378 -4.728 17.260 1.0 17.31 ? 13 SER A O 1 21 . A ATOM 154 C CB . SER A 1 21 ? 7.527 -2.223 16.920 1.0 16.64 ? 13 SER A CB 1 21 . A ATOM 155 O OG . SER A 1 21 ? 7.907 -1.353 17.952 1.0 17.18 ? 13 SER A OG 1 21 . A ATOM 156 N N . GLU A 1 22 ? 10.767 -2.968 17.300 1.0 12.48 ? 14 GLU A N 1 22 . A ATOM 157 C CA . GLU A 1 22 ? 11.786 -3.561 18.172 1.0 12.08 ? 14 GLU A CA 1 22 . A ATOM 158 C C . GLU A 1 22 ? 12.155 -2.593 19.275 1.0 11.84 ? 14 GLU A C 1 22 . A ATOM 159 O O . GLU A 1 22 ? 12.445 -1.436 19.005 1.0 11.54 ? 14 GLU A O 1 22 . A ATOM 160 C CB . GLU A 1 22 ? 13.054 -3.925 17.387 1.0 14.14 ? 14 GLU A CB 1 22 . A ATOM 161 C CG . GLU A 1 22 ? 12.818 -5.092 16.408 1.0 21.74 ? 14 GLU A CG 1 22 . A ATOM 162 C CD . GLU A 1 22 ? 12.837 -6.471 17.091 1.0 26.8 ? 14 GLU A CD 1 22 . A ATOM 163 O OE1 . GLU A 1 22 ? 13.090 -6.551 18.306 1.0 30.29 ? 14 GLU A OE1 1 22 . A ATOM 164 O OE2 . GLU A 1 22 ? 12.573 -7.492 16.417 1.0 32.03 ? 14 GLU A OE2 1 22 . A ATOM 165 N N . ASN A 1 23 ? 12.160 -3.080 20.492 1.0 10.57 ? 15 ASN A N 1 23 . A ATOM 166 C CA . ASN A 1 23 ? 12.627 -2.349 21.663 1.0 10.47 ? 15 ASN A CA 1 23 . A ATOM 167 C C . ASN A 1 23 ? 11.798 -1.117 22.032 1.0 10.24 ? 15 ASN A C 1 23 . A ATOM 168 O O . ASN A 1 23 ? 12.248 -0.253 22.758 1.0 10.68 ? 15 ASN A O 1 23 . A ATOM 169 C CB A ASN A 1 23 ? 14.109 -1.961 21.540 0.5 10.98 ? 15 ASN A CB 1 23 . A ATOM 170 C CB B ASN A 1 23 ? 14.093 -1.982 21.519 0.5 11.62 ? 15 ASN A CB 1 23 . A ATOM 171 C CG A ASN A 1 23 ? 14.834 -1.962 22.883 0.5 9.16 ? 15 ASN A CG 1 23 . A ATOM 172 C CG B ASN A 1 23 ? 14.930 -3.184 21.333 0.5 12.94 ? 15 ASN A CG 1 23 . A ATOM 173 O OD1 A ASN A 1 23 ? 14.692 -2.899 23.682 0.5 11.64 ? 15 ASN A OD1 1 23 . A ATOM 174 O OD1 B ASN A 1 23 ? 15.026 -3.990 22.238 0.5 17.58 ? 15 ASN A OD1 1 23 . A ATOM 175 N ND2 A ASN A 1 23 ? 15.682 -0.974 23.101 0.5 10.36 ? 15 ASN A ND2 1 23 . A ATOM 176 N ND2 B ASN A 1 23 ? 15.434 -3.391 20.148 0.5 18.01 ? 15 ASN A ND2 1 23 . A ATOM 177 N N . PHE A 1 24 ? 10.565 -1.017 21.558 1.0 10.27 ? 16 PHE A N 1 24 . A ATOM 178 C CA . PHE A 1 24 ? 9.722 0.161 21.782 1.0 10.78 ? 16 PHE A CA 1 24 . A ATOM 179 C C . PHE A 1 24 ? 9.325 0.280 23.230 1.0 10.03 ? 16 PHE A C 1 24 . A ATOM 180 O O . PHE A 1 24 ? 9.283 1.411 23.769 1.0 10.08 ? 16 PHE A O 1 24 . A ATOM 181 C CB . PHE A 1 24 ? 8.511 0.216 20.846 1.0 10.59 ? 16 PHE A CB 1 24 . A ATOM 182 C CG . PHE A 1 24 ? 7.810 1.573 20.781 1.0 9.67 ? 16 PHE A CG 1 24 . A ATOM 183 C CD1 . PHE A 1 24 ? 8.509 2.695 20.380 1.0 12.68 ? 16 PHE A CD1 1 24 . A ATOM 184 C CD2 . PHE A 1 24 ? 6.527 1.686 21.050 1.0 11.02 ? 16 PHE A CD2 1 24 . A ATOM 185 C CE1 . PHE A 1 24 ? 7.859 3.893 20.238 1.0 15.03 ? 16 PHE A CE1 1 24 . A ATOM 186 C CE2 . PHE A 1 24 ? 5.862 2.941 20.928 1.0 12.53 ? 16 PHE A CE2 1 24 . A ATOM 187 C CZ . PHE A 1 24 ? 6.593 4.019 20.523 1.0 14.01 ? 16 PHE A CZ 1 24 . A ATOM 188 N N . ASP A 1 25 ? 9.084 -0.834 23.927 1.0 10.99 ? 17 ASP A N 1 25 . A ATOM 189 C CA . ASP A 1 25 ? 8.706 -0.715 25.348 1.0 12.61 ? 17 ASP A CA 1 25 . A ATOM 190 C C . ASP A 1 25 ? 9.905 -0.108 26.158 1.0 11.54 ? 17 ASP A C 1 25 . A ATOM 191 O O . ASP A 1 25 ? 9.758 0.773 26.999 1.0 11.78 ? 17 ASP A O 1 25 . A ATOM 192 C CB . ASP A 1 25 ? 8.332 -2.078 25.918 1.0 13.92 ? 17 ASP A CB 1 25 . A ATOM 193 C CG . ASP A 1 25 ? 7.829 -1.978 27.322 1.0 15.99 ? 17 ASP A CG 1 25 . A ATOM 194 O OD1 . ASP A 1 25 ? 8.469 -2.518 28.203 1.0 22.25 ? 17 ASP A OD1 1 25 . A ATOM 195 O OD2 . ASP A 1 25 ? 6.798 -1.349 27.565 1.0 18.77 ? 17 ASP A OD2 1 25 . A ATOM 196 N N . ASP A 1 26 ? 11.104 -0.580 25.892 1.0 10.98 ? 18 ASP A N 1 26 . A ATOM 197 C CA . ASP A 1 26 ? 12.346 -0.086 26.518 1.0 11.79 ? 18 ASP A CA 1 26 . A ATOM 198 C C . ASP A 1 26 ? 12.550 1.404 26.173 1.0 11.81 ? 18 ASP A C 1 26 . A ATOM 199 O O . ASP A 1 26 ? 12.943 2.179 27.049 1.0 10.93 ? 18 ASP A O 1 26 . A ATOM 200 C CB . ASP A 1 26 ? 13.591 -0.918 26.173 1.0 14.49 ? 18 ASP A CB 1 26 . A ATOM 201 C CG . ASP A 1 26 ? 13.633 -2.297 26.941 1.0 22.54 ? 18 ASP A CG 1 26 . A ATOM 202 O OD1 . ASP A 1 26 ? 12.853 -2.488 27.872 1.0 29.87 ? 18 ASP A OD1 1 26 . A ATOM 203 O OD2 . ASP A 1 26 ? 14.464 -3.127 26.632 1.0 30.59 ? 18 ASP A OD2 1 26 . A ATOM 204 N N . TYR A 1 27 ? 12.257 1.824 24.936 1.0 10.45 ? 19 TYR A N 1 27 . A ATOM 205 C CA . TYR A 1 27 ? 12.381 3.250 24.604 1.0 9.35 ? 19 TYR A CA 1 27 . A ATOM 206 C C . TYR A 1 27 ? 11.418 4.085 25.427 1.0 8.29 ? 19 TYR A C 1 27 . A ATOM 207 O O . TYR A 1 27 ? 11.746 5.107 26.014 1.0 10.13 ? 19 TYR A O 1 27 . A ATOM 208 C CB . TYR A 1 27 ? 12.116 3.413 23.084 1.0 10.58 ? 19 TYR A CB 1 27 . A ATOM 209 C CG . TYR A 1 27 ? 11.910 4.885 22.697 1.0 8.43 ? 19 TYR A CG 1 27 . A ATOM 210 C CD1 . TYR A 1 27 ? 12.968 5.727 22.597 1.0 8.7 ? 19 TYR A CD1 1 27 . A ATOM 211 C CD2 . TYR A 1 27 ? 10.639 5.340 22.446 1.0 9.78 ? 19 TYR A CD2 1 27 . A ATOM 212 C CE1 . TYR A 1 27 ? 12.757 7.077 22.285 1.0 8.66 ? 19 TYR A CE1 1 27 . A ATOM 213 C CE2 . TYR A 1 27 ? 10.409 6.715 22.148 1.0 9.6 ? 19 TYR A CE2 1 27 . A ATOM 214 C CZ . TYR A 1 27 ? 11.490 7.546 22.077 1.0 9.1 ? 19 TYR A CZ 1 27 . A ATOM 215 O OH . TYR A 1 27 ? 11.246 8.876 21.753 1.0 11.55 ? 19 TYR A OH 1 27 . A ATOM 216 N N . MET A 1 28 ? 10.199 3.632 25.478 1.0 7.92 ? 20 MET A N 1 28 . A ATOM 217 C CA . MET A 1 28 ? 9.144 4.299 26.224 1.0 9.36 ? 20 MET A CA 1 28 . A ATOM 218 C C . MET A 1 28 ? 9.490 4.348 27.718 1.0 10.21 ? 20 MET A C 1 28 . A ATOM 219 O O . MET A 1 28 ? 9.268 5.390 28.364 1.0 11.42 ? 20 MET A O 1 28 . A ATOM 220 C CB . MET A 1 28 ? 7.805 3.632 26.051 1.0 9.59 ? 20 MET A CB 1 28 . A ATOM 221 C CG . MET A 1 28 ? 7.137 3.912 24.677 1.0 11.51 ? 20 MET A CG 1 28 . A ATOM 222 S SD . MET A 1 28 ? 5.400 3.381 24.561 1.0 12.37 ? 20 MET A SD 1 28 . A ATOM 223 C CE . MET A 1 28 ? 5.627 1.580 24.654 1.0 13.46 ? 20 MET A CE 1 28 . A ATOM 224 N N . LYS A 1 29 ? 10.062 3.256 28.267 1.0 11.81 ? 21 LYS A N 1 29 . A ATOM 225 C CA . LYS A 1 29 ? 10.510 3.313 29.682 1.0 12.48 ? 21 LYS A CA 1 29 . A ATOM 226 C C . LYS A 1 29 ? 11.531 4.403 29.870 1.0 13.41 ? 21 LYS A C 1 29 . A ATOM 227 O O . LYS A 1 29 ? 11.468 5.150 30.853 1.0 15.51 ? 21 LYS A O 1 29 . A ATOM 228 C CB . LYS A 1 29 ? 11.110 1.975 30.113 1.0 13.05 ? 21 LYS A CB 1 29 . A ATOM 229 C CG . LYS A 1 29 ? 10.065 0.899 30.350 1.0 15.56 ? 21 LYS A CG 1 29 . A ATOM 230 C CD . LYS A 1 29 ? 10.738 -0.347 30.866 1.0 19.28 ? 21 LYS A CD 1 29 . A ATOM 231 C CE . LYS A 1 29 ? 9.819 -1.469 31.103 1.0 23.83 ? 21 LYS A CE 1 29 . A ATOM 232 N NZ . LYS A 1 29 ? 10.399 -2.449 31.967 1.0 27.26 ? 21 LYS A NZ 1 29 . A ATOM 233 N N . GLU A 1 30 ? 12.487 4.507 28.946 1.0 12.33 ? 22 GLU A N 1 30 . A ATOM 234 C CA . GLU A 1 30 ? 13.602 5.497 29.053 1.0 13.32 ? 22 GLU A CA 1 30 . A ATOM 235 C C . GLU A 1 30 ? 13.029 6.882 28.978 1.0 12.69 ? 22 GLU A C 1 30 . A ATOM 236 O O . GLU A 1 30 ? 13.496 7.766 29.669 1.0 15.74 ? 22 GLU A O 1 30 . A ATOM 237 C CB . GLU A 1 30 ? 14.692 5.217 27.995 1.0 15.07 ? 22 GLU A CB 1 30 . A ATOM 238 C CG . GLU A 1 30 ? 16.072 5.721 28.340 1.0 17.96 ? 22 GLU A CG 1 30 . A ATOM 239 C CD . GLU A 1 30 ? 16.796 4.879 29.401 1.0 18.57 ? 22 GLU A CD 1 30 . A ATOM 240 O OE1 . GLU A 1 30 ? 16.263 3.858 29.901 1.0 21.57 ? 22 GLU A OE1 1 30 . A ATOM 241 O OE2 . GLU A 1 30 ? 17.925 5.266 29.751 1.0 22.85 ? 22 GLU A OE2 1 30 . A ATOM 242 N N . VAL A 1 31 ? 11.993 7.074 28.159 1.0 12.43 ? 23 VAL A N 1 31 . A ATOM 243 C CA . VAL A 1 31 ? 11.298 8.353 28.021 1.0 11.96 ? 23 VAL A CA 1 31 . A ATOM 244 C C . VAL A 1 31 ? 10.564 8.748 29.297 1.0 13.02 ? 23 VAL A C 1 31 . A ATOM 245 O O . VAL A 1 31 ? 10.459 9.908 29.606 1.0 15.13 ? 23 VAL A O 1 31 . A ATOM 246 C CB . VAL A 1 31 ? 10.338 8.341 26.776 1.0 12.31 ? 23 VAL A CB 1 31 . A ATOM 247 C CG1 . VAL A 1 31 ? 9.339 9.485 26.767 1.0 13.21 ? 23 VAL A CG1 1 31 . A ATOM 248 C CG2 . VAL A 1 31 ? 11.187 8.315 25.490 1.0 13.06 ? 23 VAL A CG2 1 31 . A ATOM 249 N N . GLY A 1 32 ? 10.135 7.754 30.066 1.0 13.31 ? 24 GLY A N 1 32 . A ATOM 250 C CA . GLY A 1 32 ? 9.369 7.984 31.279 1.0 14.22 ? 24 GLY A CA 1 32 . A ATOM 251 C C . GLY A 1 32 ? 7.889 7.644 31.196 1.0 13.75 ? 24 GLY A C 1 32 . A ATOM 252 O O . GLY A 1 32 ? 7.098 8.034 32.062 1.0 14.49 ? 24 GLY A O 1 32 . A ATOM 253 N N . VAL A 1 33 ? 7.476 6.945 30.161 1.0 12.82 ? 25 VAL A N 1 33 . A ATOM 254 C CA . VAL A 1 33 ? 6.081 6.556 29.985 1.0 12.36 ? 25 VAL A CA 1 33 . A ATOM 255 C C . VAL A 1 33 ? 5.678 5.534 31.043 1.0 11.59 ? 25 VAL A C 1 33 . A ATOM 256 O O . VAL A 1 33 ? 6.434 4.570 31.272 1.0 12.44 ? 25 VAL A O 1 33 . A ATOM 257 C CB . VAL A 1 33 ? 5.826 5.994 28.554 1.0 10.92 ? 25 VAL A CB 1 33 . A ATOM 258 C CG1 . VAL A 1 33 ? 4.373 5.699 28.356 1.0 12.18 ? 25 VAL A CG1 1 33 . A ATOM 259 C CG2 . VAL A 1 33 ? 6.270 6.984 27.477 1.0 12.68 ? 25 VAL A CG2 1 33 . A ATOM 260 N N . GLY A 1 34 ? 4.512 5.761 31.652 1.0 12.82 ? 26 GLY A N 1 34 . A ATOM 261 C CA . GLY A 1 34 ? 3.983 4.884 32.670 1.0 13.81 ? 26 GLY A CA 1 34 . A ATOM 262 C C . GLY A 1 34 ? 3.484 3.555 32.149 1.0 14.13 ? 26 GLY A C 1 34 . A ATOM 263 O O . GLY A 1 34 ? 3.181 3.402 30.980 1.0 13.33 ? 26 GLY A O 1 34 . A ATOM 264 N N . PHE A 1 35 ? 3.312 2.601 33.069 1.0 13.33 ? 27 PHE A N 1 35 . A ATOM 265 C CA . PHE A 1 35 ? 3.031 1.218 32.712 1.0 13.34 ? 27 PHE A CA 1 35 . A ATOM 266 C C . PHE A 1 35 ? 1.787 1.117 31.806 1.0 11.08 ? 27 PHE A C 1 35 . A ATOM 267 O O . PHE A 1 35 ? 1.841 0.507 30.745 1.0 12.18 ? 27 PHE A O 1 35 . A ATOM 268 C CB . PHE A 1 35 ? 2.827 0.392 33.988 1.0 12.73 ? 27 PHE A CB 1 35 . A ATOM 269 C CG . PHE A 1 35 ? 2.419 -1.023 33.722 1.0 14.62 ? 27 PHE A CG 1 35 . A ATOM 270 C CD1 . PHE A 1 35 ? 3.351 -2.039 33.583 1.0 15.14 ? 27 PHE A CD1 1 35 . A ATOM 271 C CD2 . PHE A 1 35 ? 1.077 -1.393 33.619 1.0 15.46 ? 27 PHE A CD2 1 35 . A ATOM 272 C CE1 . PHE A 1 35 ? 2.922 -3.378 33.311 1.0 17.05 ? 27 PHE A CE1 1 35 . A ATOM 273 C CE2 . PHE A 1 35 ? 0.703 -2.703 33.328 1.0 15.34 ? 27 PHE A CE2 1 35 . A ATOM 274 C CZ . PHE A 1 35 ? 1.635 -3.675 33.210 1.0 16.03 ? 27 PHE A CZ 1 35 . A ATOM 275 N N . ALA A 1 36 ? 0.651 1.645 32.236 1.0 12.36 ? 28 ALA A N 1 36 . A ATOM 276 C CA . ALA A 1 36 ? -0.619 1.405 31.498 1.0 12.85 ? 28 ALA A CA 1 36 . A ATOM 277 C C . ALA A 1 36 ? -0.569 2.063 30.119 1.0 11.97 ? 28 ALA A C 1 36 . A ATOM 278 O O . ALA A 1 36 ? -0.989 1.462 29.129 1.0 14.12 ? 28 ALA A O 1 36 . A ATOM 279 C CB . ALA A 1 36 ? -1.845 1.911 32.244 1.0 12.87 ? 28 ALA A CB 1 36 . A ATOM 280 N N . THR A 1 37 ? 0.015 3.263 30.035 1.0 12.23 ? 29 THR A N 1 37 . A ATOM 281 C CA . THR A 1 37 ? 0.207 3.900 28.749 1.0 12.24 ? 29 THR A CA 1 37 . A ATOM 282 C C . THR A 1 37 ? 1.126 3.088 27.865 1.0 11.25 ? 29 THR A C 1 37 . A ATOM 283 O O . THR A 1 37 ? 0.874 2.917 26.662 1.0 11.6 ? 29 THR A O 1 37 . A ATOM 284 C CB . THR A 1 37 ? 0.716 5.310 28.914 1.0 12.85 ? 29 THR A CB 1 37 . A ATOM 285 O OG1 . THR A 1 37 ? -0.251 6.034 29.664 1.0 14.92 ? 29 THR A OG1 1 37 . A ATOM 286 C CG2 . THR A 1 37 ? 0.947 5.994 27.561 1.0 13.82 ? 29 THR A CG2 1 37 . A ATOM 287 N N . ARG A 1 38 ? 2.219 2.576 28.405 1.0 10.61 ? 30 ARG A N 1 38 . A ATOM 288 C CA . ARG A 1 38 ? 3.169 1.772 27.614 1.0 11.13 ? 30 ARG A CA 1 38 . A ATOM 289 C C . ARG A 1 38 ? 2.474 0.548 27.026 1.0 11.07 ? 30 ARG A C 1 38 . A ATOM 290 O O . ARG A 1 38 ? 2.689 0.160 25.870 1.0 11.96 ? 30 ARG A O 1 38 . A ATOM 291 C CB . ARG A 1 38 ? 4.352 1.278 28.391 1.0 11.34 ? 30 ARG A CB 1 38 . A ATOM 292 C CG . ARG A 1 38 ? 5.498 2.277 28.716 1.0 12.04 ? 30 ARG A CG 1 38 . A ATOM 293 C CD . ARG A 1 38 ? 6.811 1.644 28.990 1.0 10.6 ? 30 ARG A CD 1 38 . A ATOM 294 N NE . ARG A 1 38 ? 6.730 0.497 29.874 1.0 11.89 ? 30 ARG A NE 1 38 . A ATOM 295 C CZ . ARG A 1 38 ? 6.581 0.549 31.179 1.0 12.98 ? 30 ARG A CZ 1 38 . A ATOM 296 N NH1 . ARG A 1 38 ? 6.510 1.716 31.858 1.0 13.75 ? 30 ARG A NH1 1 38 . A ATOM 297 N NH2 . ARG A 1 38 ? 6.543 -0.596 31.859 1.0 14.76 ? 30 ARG A NH2 1 38 . A ATOM 298 N N . LYS A 1 39 ? 1.669 -0.113 27.835 1.0 11.29 ? 31 LYS A N 1 39 . A ATOM 299 C CA . LYS A 1 39 ? 1.060 -1.356 27.364 1.0 11.82 ? 31 LYS A CA 1 39 . A ATOM 300 C C . LYS A 1 39 ? 0.110 -1.064 26.222 1.0 11.89 ? 31 LYS A C 1 39 . A ATOM 301 O O . LYS A 1 39 ? 0.106 -1.770 25.223 1.0 13.03 ? 31 LYS A O 1 39 . A ATOM 302 C CB . LYS A 1 39 ? 0.340 -2.066 28.496 1.0 12.53 ? 31 LYS A CB 1 39 . A ATOM 303 C CG . LYS A 1 39 ? 1.217 -2.608 29.581 1.0 16.28 ? 31 LYS A CG 1 39 . A ATOM 304 C CD . LYS A 1 39 ? 2.183 -3.675 29.100 1.0 21.65 ? 31 LYS A CD 1 39 . A ATOM 305 C CE . LYS A 1 39 ? 3.594 -3.420 29.616 1.0 26.71 ? 31 LYS A CE 1 39 . A ATOM 306 N NZ . LYS A 1 39 ? 4.616 -4.407 29.123 1.0 29.44 ? 31 LYS A NZ 1 39 . A ATOM 307 N N . VAL A 1 40 ? -0.730 -0.076 26.382 1.0 11.23 ? 32 VAL A N 1 40 . A ATOM 308 C CA . VAL A 1 40 ? -1.739 0.262 25.312 1.0 11.62 ? 32 VAL A CA 1 40 . A ATOM 309 C C . VAL A 1 40 ? -0.999 0.863 24.101 1.0 11.78 ? 32 VAL A C 1 40 . A ATOM 310 O O . VAL A 1 40 ? -1.358 0.550 22.965 1.0 12.35 ? 32 VAL A O 1 40 . A ATOM 311 C CB . VAL A 1 40 ? -2.866 1.149 25.884 1.0 12.89 ? 32 VAL A CB 1 40 . A ATOM 312 C CG1 . VAL A 1 40 ? -3.738 1.703 24.804 1.0 16.23 ? 32 VAL A CG1 1 40 . A ATOM 313 C CG2 . VAL A 1 40 ? -3.639 0.334 26.937 1.0 14.88 ? 32 VAL A CG2 1 40 . A ATOM 314 N N . ALA A 1 41 ? -0.036 1.754 24.328 1.0 11.16 ? 33 ALA A N 1 41 . A ATOM 315 C CA . ALA A 1 41 ? 0.680 2.382 23.215 1.0 10.71 ? 33 ALA A CA 1 41 . A ATOM 316 C C . ALA A 1 41 ? 1.493 1.353 22.440 1.0 13.06 ? 33 ALA A C 1 41 . A ATOM 317 O O . ALA A 1 41 ? 1.592 1.437 21.222 1.0 13.42 ? 33 ALA A O 1 41 . A ATOM 318 C CB . ALA A 1 41 ? 1.529 3.504 23.709 1.0 13.14 ? 33 ALA A CB 1 41 . A ATOM 319 N N . GLY A 1 42 ? 2.034 0.347 23.126 1.0 12.11 ? 34 GLY A N 1 42 . A ATOM 320 C CA . GLY A 1 42 ? 2.838 -0.645 22.457 1.0 11.98 ? 34 GLY A CA 1 42 . A ATOM 321 C C . GLY A 1 42 ? 2.067 -1.562 21.571 1.0 12.81 ? 34 GLY A C 1 42 . A ATOM 322 O O . GLY A 1 42 ? 2.592 -2.080 20.622 1.0 14.43 ? 34 GLY A O 1 42 . A ATOM 323 N N . MET A 1 43 ? 0.789 -1.746 21.857 1.0 11.91 ? 35 MET A N 1 43 . A ATOM 324 C CA . MET A 1 43 ? -0.079 -2.567 21.029 1.0 12.21 ? 35 MET A CA 1 43 . A ATOM 325 C C . MET A 1 43 ? -0.494 -1.911 19.696 1.0 12.09 ? 35 MET A C 1 43 . A ATOM 326 O O . MET A 1 43 ? -0.812 -2.577 18.738 1.0 14.64 ? 35 MET A O 1 43 . A ATOM 327 C CB . MET A 1 43 ? -1.373 -2.912 21.743 1.0 13.4 ? 35 MET A CB 1 43 . A ATOM 328 C CG . MET A 1 43 ? -1.200 -3.865 22.865 1.0 14.2 ? 35 MET A CG 1 43 . A ATOM 329 S SD . MET A 1 43 ? -0.717 -5.479 22.413 1.0 13.73 ? 35 MET A SD 1 43 . A ATOM 330 C CE . MET A 1 43 ? -2.057 -6.069 21.438 1.0 19.63 ? 35 MET A CE 1 43 . A ATOM 331 N N . ALA A 1 44 ? -0.441 -0.584 19.635 1.0 11.4 ? 36 ALA A N 1 44 . A ATOM 332 C CA . ALA A 1 44 ? -0.962 0.125 18.482 1.0 13.16 ? 36 ALA A CA 1 44 . A ATOM 333 C C . ALA A 1 44 ? -0.164 -0.156 17.220 1.0 11.67 ? 36 ALA A C 1 44 . A ATOM 334 O O . ALA A 1 44 ? 1.034 -0.329 17.258 1.0 12.66 ? 36 ALA A O 1 44 . A ATOM 335 C CB . ALA A 1 44 ? -0.961 1.639 18.769 1.0 13.32 ? 36 ALA A CB 1 44 . A ATOM 336 N N . LYS A 1 45 ? -0.875 -0.246 16.107 1.0 12.05 ? 37 LYS A N 1 45 . A ATOM 337 C CA A LYS A 1 45 ? -0.236 -0.437 14.810 0.5 12.7 ? 37 LYS A CA 1 45 . A ATOM 338 C CA B LYS A 1 45 ? -0.272 -0.432 14.782 0.5 12.29 ? 37 LYS A CA 1 45 . A ATOM 339 C C . LYS A 1 45 ? -0.754 0.732 13.935 1.0 12.17 ? 37 LYS A C 1 45 . A ATOM 340 O O . LYS A 1 45 ? -1.689 0.609 13.146 1.0 13.98 ? 37 LYS A O 1 45 . A ATOM 341 C CB A LYS A 1 45 ? -0.467 -1.876 14.293 0.5 13.7 ? 37 LYS A CB 1 45 . A ATOM 342 C CB B LYS A 1 45 ? -0.695 -1.760 14.159 0.5 13.22 ? 37 LYS A CB 1 45 . A ATOM 343 C CG A LYS A 1 45 ? -0.388 -2.921 15.463 0.5 16.73 ? 37 LYS A CG 1 45 . A ATOM 344 C CG B LYS A 1 45 ? 0.007 -2.930 14.786 0.5 12.67 ? 37 LYS A CG 1 45 . A ATOM 345 C CD A LYS A 1 45 ? 0.498 -4.114 15.284 0.5 20.03 ? 37 LYS A CD 1 45 . A ATOM 346 C CD B LYS A 1 45 ? 1.476 -2.935 14.461 0.5 16.54 ? 37 LYS A CD 1 45 . A ATOM 347 C CE A LYS A 1 45 ? 0.246 -5.222 16.379 0.5 18.05 ? 37 LYS A CE 1 45 . A ATOM 348 C CE B LYS A 1 45 ? 2.147 -4.269 14.803 0.5 19.0 ? 37 LYS A CE 1 45 . A ATOM 349 N NZ A LYS A 1 45 ? -0.633 -4.943 17.609 0.5 14.76 ? 37 LYS A NZ 1 45 . A ATOM 350 N NZ B LYS A 1 45 ? 1.930 -4.675 16.196 0.5 19.75 ? 37 LYS A NZ 1 45 . A ATOM 351 N N . PRO A 1 46 ? -0.129 1.907 14.107 1.0 11.58 ? 38 PRO A N 1 46 . A ATOM 352 C CA . PRO A 1 46 ? -0.677 3.073 13.469 1.0 12.4 ? 38 PRO A CA 1 46 . A ATOM 353 C C . PRO A 1 46 ? -0.515 3.139 11.978 1.0 12.39 ? 38 PRO A C 1 46 . A ATOM 354 O O . PRO A 1 46 ? 0.347 2.516 11.416 1.0 12.8 ? 38 PRO A O 1 46 . A ATOM 355 C CB . PRO A 1 46 ? 0.085 4.240 14.085 1.0 14.8 ? 38 PRO A CB 1 46 . A ATOM 356 C CG . PRO A 1 46 ? 0.764 3.736 15.169 1.0 17.63 ? 38 PRO A CG 1 46 . A ATOM 357 C CD . PRO A 1 46 ? 0.959 2.264 15.018 1.0 13.59 ? 38 PRO A CD 1 46 . A ATOM 358 N N . ASN A 1 47 ? -1.417 3.922 11.389 1.0 12.41 ? 39 ASN A N 1 47 . A ATOM 359 C CA . ASN A 1 47 ? -1.153 4.482 10.063 1.0 15.16 ? 39 ASN A CA 1 47 . A ATOM 360 C C . ASN A 1 47 ? -0.546 5.858 10.202 1.0 16.43 ? 39 ASN A C 1 47 . A ATOM 361 O O . ASN A 1 47 ? -0.952 6.672 11.049 1.0 20.22 ? 39 ASN A O 1 47 . A ATOM 362 C CB . ASN A 1 47 ? -2.387 4.534 9.254 1.0 17.36 ? 39 ASN A CB 1 47 . A ATOM 363 C CG . ASN A 1 47 ? -2.701 3.232 8.556 1.0 20.49 ? 39 ASN A CG 1 47 . A ATOM 364 O OD1 . ASN A 1 47 ? -2.329 2.155 8.995 1.0 27.12 ? 39 ASN A OD1 1 47 . A ATOM 365 N ND2 . ASN A 1 47 ? -3.308 3.359 7.368 1.0 28.62 ? 39 ASN A ND2 1 47 . A ATOM 366 N N . MET A 1 48 ? 0.429 6.140 9.372 1.0 15.82 ? 40 MET A N 1 48 . A ATOM 367 C CA . MET A 1 48 ? 1.088 7.403 9.377 1.0 15.1 ? 40 MET A CA 1 48 . A ATOM 368 C C . MET A 1 48 ? 0.928 8.023 8.001 1.0 14.11 ? 40 MET A C 1 48 . A ATOM 369 O O . MET A 1 48 ? 1.197 7.390 6.998 1.0 15.06 ? 40 MET A O 1 48 . A ATOM 370 C CB . MET A 1 48 ? 2.543 7.219 9.733 1.0 15.62 ? 40 MET A CB 1 48 . A ATOM 371 C CG . MET A 1 48 ? 3.275 8.516 9.702 1.0 19.55 ? 40 MET A CG 1 48 . A ATOM 372 S SD . MET A 1 48 ? 4.975 8.399 10.157 1.0 23.18 ? 40 MET A SD 1 48 . A ATOM 373 C CE . MET A 1 48 ? 5.560 7.080 9.125 1.0 25.39 ? 40 MET A CE 1 48 . A ATOM 374 N N . ILE A 1 49 ? 0.366 9.211 7.967 1.0 12.82 ? 41 ILE A N 1 49 . A ATOM 375 C CA . ILE A 1 49 ? 0.076 9.954 6.722 1.0 12.27 ? 41 ILE A CA 1 49 . A ATOM 376 C C . ILE A 1 49 ? 0.985 11.162 6.705 1.0 10.91 ? 41 ILE A C 1 49 . A ATOM 377 O O . ILE A 1 49 ? 0.898 12.013 7.601 1.0 12.25 ? 41 ILE A O 1 49 . A ATOM 378 C CB . ILE A 1 49 ? -1.412 10.406 6.578 1.0 13.76 ? 41 ILE A CB 1 49 . A ATOM 379 C CG1 . ILE A 1 49 ? -2.410 9.207 6.693 1.0 19.15 ? 41 ILE A CG1 1 49 . A ATOM 380 C CG2 . ILE A 1 49 ? -1.639 11.173 5.299 1.0 17.54 ? 41 ILE A CG2 1 49 . A ATOM 381 C CD1 . ILE A 1 49 ? -3.879 9.650 6.931 1.0 23.86 ? 41 ILE A CD1 1 49 . A ATOM 382 N N . ILE A 1 50 ? 1.810 11.264 5.671 1.0 9.98 ? 42 ILE A N 1 50 . A ATOM 383 C CA . ILE A 1 50 ? 2.803 12.357 5.531 1.0 9.28 ? 42 ILE A CA 1 50 . A ATOM 384 C C . ILE A 1 50 ? 2.427 13.113 4.257 1.0 9.2 ? 42 ILE A C 1 50 . A ATOM 385 O O . ILE A 1 50 ? 2.269 12.492 3.202 1.0 10.71 ? 42 ILE A O 1 50 . A ATOM 386 C CB . ILE A 1 50 ? 4.238 11.839 5.477 1.0 8.75 ? 42 ILE A CB 1 50 . A ATOM 387 C CG1 . ILE A 1 50 ? 4.594 11.082 6.777 1.0 11.75 ? 42 ILE A CG1 1 50 . A ATOM 388 C CG2 . ILE A 1 50 ? 5.199 12.990 5.257 1.0 11.39 ? 42 ILE A CG2 1 50 . A ATOM 389 C CD1 . ILE A 1 50 ? 6.020 10.463 6.792 1.0 12.63 ? 42 ILE A CD1 1 50 . A ATOM 390 N N . SER A 1 51 ? 2.194 14.412 4.368 1.0 9.58 ? 43 SER A N 1 51 . A ATOM 391 C CA . SER A 1 51 ? 1.920 15.262 3.254 1.0 11.15 ? 43 SER A CA 1 51 . A ATOM 392 C C . SER A 1 51 ? 2.712 16.526 3.330 1.0 10.47 ? 43 SER A C 1 51 . A ATOM 393 O O . SER A 1 51 ? 3.232 16.929 4.383 1.0 10.53 ? 43 SER A O 1 51 . A ATOM 394 C CB . SER A 1 51 ? 0.450 15.548 3.203 1.0 13.19 ? 43 SER A CB 1 51 . A ATOM 395 O OG . SER A 1 51 ? 0.056 16.208 4.359 1.0 15.19 ? 43 SER A OG 1 51 . A ATOM 396 N N . VAL A 1 52 ? 2.845 17.152 2.175 1.0 11.58 ? 44 VAL A N 1 52 . A ATOM 397 C CA . VAL A 1 52 ? 3.529 18.395 2.028 1.0 11.0 ? 44 VAL A CA 1 52 . A ATOM 398 C C . VAL A 1 52 ? 2.722 19.391 1.243 1.0 12.29 ? 44 VAL A C 1 52 . A ATOM 399 O O . VAL A 1 52 ? 2.061 19.030 0.266 1.0 14.85 ? 44 VAL A O 1 52 . A ATOM 400 C CB . VAL A 1 52 ? 4.894 18.233 1.351 1.0 11.93 ? 44 VAL A CB 1 52 . A ATOM 401 C CG1 . VAL A 1 52 ? 5.732 19.527 1.244 1.0 16.24 ? 44 VAL A CG1 1 52 . A ATOM 402 C CG2 . VAL A 1 52 ? 5.766 17.253 2.096 1.0 14.86 ? 44 VAL A CG2 1 52 . A ATOM 403 N N . ASN A 1 53 ? 2.668 20.627 1.700 1.0 11.07 ? 45 ASN A N 1 53 . A ATOM 404 C CA . ASN A 1 53 ? 1.935 21.695 1.010 1.0 11.46 ? 45 ASN A CA 1 53 . A ATOM 405 C C . ASN A 1 53 ? 2.818 22.930 1.176 1.0 11.99 ? 45 ASN A C 1 53 . A ATOM 406 O O . ASN A 1 53 ? 2.923 23.495 2.241 1.0 11.17 ? 45 ASN A O 1 53 . A ATOM 407 C CB . ASN A 1 53 ? 0.561 21.844 1.636 1.0 11.41 ? 45 ASN A CB 1 53 . A ATOM 408 C CG . ASN A 1 53 ? -0.341 22.856 0.930 1.0 12.11 ? 45 ASN A CG 1 53 . A ATOM 409 O OD1 . ASN A 1 53 ? -1.599 22.690 0.828 1.0 13.63 ? 45 ASN A OD1 1 53 . A ATOM 410 N ND2 . ASN A 1 53 ? 0.270 23.902 0.450 1.0 11.24 ? 45 ASN A ND2 1 53 . A ATOM 411 N N . GLY A 1 54 ? 3.486 23.320 0.102 1.0 13.2 ? 46 GLY A N 1 54 . A ATOM 412 C CA . GLY A 1 54 ? 4.462 24.380 0.159 1.0 13.02 ? 46 GLY A CA 1 54 . A ATOM 413 C C . GLY A 1 54 ? 5.572 24.017 1.112 1.0 12.54 ? 46 GLY A C 1 54 . A ATOM 414 O O . GLY A 1 54 ? 6.193 22.965 0.993 1.0 14.72 ? 46 GLY A O 1 54 . A ATOM 415 N N . ASP A 1 55 ? 5.825 24.881 2.086 1.0 12.16 ? 47 ASP A N 1 55 . A ATOM 416 C CA . ASP A 1 55 ? 6.884 24.644 3.084 1.0 12.99 ? 47 ASP A CA 1 55 . A ATOM 417 C C . ASP A 1 55 ? 6.389 23.844 4.276 1.0 11.61 ? 47 ASP A C 1 55 . A ATOM 418 O O . ASP A 1 55 ? 7.172 23.498 5.147 1.0 11.08 ? 47 ASP A O 1 55 . A ATOM 419 C CB . ASP A 1 55 ? 7.446 25.984 3.594 1.0 15.24 ? 47 ASP A CB 1 55 . A ATOM 420 C CG . ASP A 1 55 ? 8.063 26.839 2.521 1.0 19.64 ? 47 ASP A CG 1 55 . A ATOM 421 O OD1 . ASP A 1 55 ? 8.580 26.284 1.543 1.0 26.1 ? 47 ASP A OD1 1 55 . A ATOM 422 O OD2 . ASP A 1 55 ? 8.025 28.078 2.693 1.0 27.47 ? 47 ASP A OD2 1 55 . A ATOM 423 N N . VAL A 1 56 ? 5.100 23.530 4.297 1.0 10.42 ? 48 VAL A N 1 56 . A ATOM 424 C CA . VAL A 1 56 ? 4.468 22.904 5.485 1.0 8.72 ? 48 VAL A CA 1 56 . A ATOM 425 C C . VAL A 1 56 ? 4.390 21.408 5.295 1.0 9.78 ? 48 VAL A C 1 56 . A ATOM 426 O O . VAL A 1 56 ? 3.717 20.928 4.381 1.0 10.02 ? 48 VAL A O 1 56 . A ATOM 427 C CB . VAL A 1 56 ? 3.105 23.507 5.807 1.0 10.03 ? 48 VAL A CB 1 56 . A ATOM 428 C CG1 . VAL A 1 56 ? 2.580 22.886 7.122 1.0 12.12 ? 48 VAL A CG1 1 56 . A ATOM 429 C CG2 . VAL A 1 56 ? 3.152 25.042 5.961 1.0 13.09 ? 48 VAL A CG2 1 56 . A ATOM 430 N N . ILE A 1 57 ? 5.027 20.673 6.201 1.0 8.42 ? 49 ILE A N 1 57 . A ATOM 431 C CA . ILE A 1 57 ? 4.939 19.187 6.252 1.0 7.84 ? 49 ILE A CA 1 57 . A ATOM 432 C C . ILE A 1 57 ? 3.956 18.835 7.344 1.0 7.7 ? 49 ILE A C 1 57 . A ATOM 433 O O . ILE A 1 57 ? 3.967 19.434 8.440 1.0 8.94 ? 49 ILE A O 1 57 . A ATOM 434 C CB . ILE A 1 57 ? 6.336 18.567 6.516 1.0 8.21 ? 49 ILE A CB 1 57 . A ATOM 435 C CG1 . ILE A 1 57 ? 7.337 19.054 5.474 1.0 10.25 ? 49 ILE A CG1 1 57 . A ATOM 436 C CG2 . ILE A 1 57 ? 6.249 17.035 6.610 1.0 10.89 ? 49 ILE A CG2 1 57 . A ATOM 437 C CD1 . ILE A 1 57 ? 8.795 18.733 5.878 1.0 15.19 ? 49 ILE A CD1 1 57 . A ATOM 438 N N . THR A 1 58 ? 3.028 17.923 7.063 1.0 8.2 ? 50 THR A N 1 58 . A ATOM 439 C CA . THR A 1 58 ? 2.052 17.385 8.033 1.0 9.2 ? 50 THR A CA 1 58 . A ATOM 440 C C . THR A 1 58 ? 2.336 15.885 8.212 1.0 9.04 ? 50 THR A C 1 58 . A ATOM 441 O O . THR A 1 58 ? 2.415 15.131 7.238 1.0 9.47 ? 50 THR A O 1 58 . A ATOM 442 C CB . THR A 1 58 ? 0.576 17.691 7.645 1.0 8.79 ? 50 THR A CB 1 58 . A ATOM 443 O OG1 . THR A 1 58 ? 0.453 19.107 7.552 1.0 11.83 ? 50 THR A OG1 1 58 . A ATOM 444 C CG2 . THR A 1 58 ? -0.330 17.126 8.652 1.0 10.85 ? 50 THR A CG2 1 58 . A ATOM 445 N N . ILE A 1 59 ? 2.454 15.459 9.472 1.0 8.71 ? 51 ILE A N 1 59 . A ATOM 446 C CA . ILE A 1 59 ? 2.597 14.028 9.831 1.0 7.99 ? 51 ILE A CA 1 59 . A ATOM 447 C C . ILE A 1 59 ? 1.430 13.709 10.762 1.0 8.6 ? 51 ILE A C 1 59 . A ATOM 448 O O . ILE A 1 59 ? 1.338 14.264 11.883 1.0 10.05 ? 51 ILE A O 1 59 . A ATOM 449 C CB . ILE A 1 59 ? 3.937 13.726 10.461 1.0 9.09 ? 51 ILE A CB 1 59 . A ATOM 450 C CG1 . ILE A 1 59 ? 5.096 14.063 9.575 1.0 9.64 ? 51 ILE A CG1 1 59 . A ATOM 451 C CG2 . ILE A 1 59 ? 3.912 12.211 10.834 1.0 11.77 ? 51 ILE A CG2 1 59 . A ATOM 452 C CD1 . ILE A 1 59 ? 6.418 13.824 10.141 1.0 12.18 ? 51 ILE A CD1 1 59 . A ATOM 453 N N A LYS A 1 60 ? 0.502 12.874 10.295 0.5 9.58 ? 52 LYS A N 1 60 . A ATOM 454 N N B LYS A 1 60 ? 0.485 12.896 10.310 0.5 9.43 ? 52 LYS A N 1 60 . A ATOM 455 C CA A LYS A 1 60 ? -0.707 12.446 10.964 0.5 10.26 ? 52 LYS A CA 1 60 . A ATOM 456 C CA B LYS A 1 60 ? -0.514 12.324 11.152 0.5 9.98 ? 52 LYS A CA 1 60 . A ATOM 457 C C A LYS A 1 60 ? -0.545 10.937 11.365 0.5 11.02 ? 52 LYS A C 1 60 . A ATOM 458 C C B LYS A 1 60 ? -0.161 10.915 11.511 0.5 10.77 ? 52 LYS A C 1 60 . A ATOM 459 O O A LYS A 1 60 ? -0.320 10.119 10.504 0.5 9.29 ? 52 LYS A O 1 60 . A ATOM 460 O O B LYS A 1 60 ? 0.551 10.169 10.813 0.5 10.39 ? 52 LYS A O 1 60 . A ATOM 461 C CB A LYS A 1 60 ? -1.961 12.643 10.066 0.5 10.77 ? 52 LYS A CB 1 60 . A ATOM 462 C CB B LYS A 1 60 ? -1.922 12.314 10.563 0.5 10.5 ? 52 LYS A CB 1 60 . A ATOM 463 C CG A LYS A 1 60 ? -3.257 12.328 10.707 0.5 13.54 ? 52 LYS A CG 1 60 . A ATOM 464 C CG B LYS A 1 60 ? -2.303 13.619 9.920 0.5 12.2 ? 52 LYS A CG 1 60 . A ATOM 465 C CD A LYS A 1 60 ? -4.442 12.624 9.709 0.5 17.29 ? 52 LYS A CD 1 60 . A ATOM 466 C CD B LYS A 1 60 ? -3.571 13.570 9.222 0.5 12.45 ? 52 LYS A CD 1 60 . A ATOM 467 C CE A LYS A 1 60 ? -5.847 12.622 10.334 0.5 19.75 ? 52 LYS A CE 1 60 . A ATOM 468 C CE B LYS A 1 60 ? -3.783 14.883 8.420 0.5 18.21 ? 52 LYS A CE 1 60 . A ATOM 469 N NZ A LYS A 1 60 ? -6.866 13.257 9.460 0.5 22.56 ? 52 LYS A NZ 1 60 . A ATOM 470 N NZ B LYS A 1 60 ? -3.141 14.864 7.064 0.5 20.04 ? 52 LYS A NZ 1 60 . A ATOM 471 N N . SER A 1 61 ? -0.687 10.580 12.655 1.0 12.37 ? 53 SER A N 1 61 . A ATOM 472 C CA . SER A 1 61 ? -0.717 9.195 13.107 1.0 13.55 ? 53 SER A CA 1 61 . A ATOM 473 C C . SER A 1 61 ? -2.149 8.856 13.539 1.0 13.51 ? 53 SER A C 1 61 . A ATOM 474 O O . SER A 1 61 ? -2.721 9.508 14.391 1.0 14.72 ? 53 SER A O 1 61 . A ATOM 475 C CB . SER A 1 61 ? 0.245 9.030 14.275 1.0 14.38 ? 53 SER A CB 1 61 . A ATOM 476 O OG . SER A 1 61 ? 0.266 7.685 14.774 1.0 17.91 ? 53 SER A OG 1 61 . A ATOM 477 N N . GLU A 1 62 ? -2.687 7.851 12.890 1.0 13.48 ? 54 GLU A N 1 62 . A ATOM 478 C CA . GLU A 1 62 ? -4.048 7.356 13.198 1.0 14.29 ? 54 GLU A CA 1 62 . A ATOM 479 C C . GLU A 1 62 ? -3.914 6.035 13.873 1.0 13.95 ? 54 GLU A C 1 62 . A ATOM 480 O O . GLU A 1 62 ? -3.345 5.095 13.298 1.0 13.38 ? 54 GLU A O 1 62 . A ATOM 481 C CB . GLU A 1 62 ? -4.820 7.221 11.903 1.0 16.95 ? 54 GLU A CB 1 62 . A ATOM 482 C CG . GLU A 1 62 ? -5.031 8.521 11.175 1.0 22.04 ? 54 GLU A CG 1 62 . A ATOM 483 C CD . GLU A 1 62 ? -6.065 8.386 10.095 1.0 28.65 ? 54 GLU A CD 1 62 . A ATOM 484 O OE1 . GLU A 1 62 ? -5.980 7.430 9.292 1.0 30.18 ? 54 GLU A OE1 1 62 . A ATOM 485 O OE2 . GLU A 1 62 ? -6.985 9.230 10.061 1.0 36.17 ? 54 GLU A OE2 1 62 . A ATOM 486 N N A SER A 1 63 ? -4.333 5.915 15.123 0.5 14.56 ? 55 SER A N 1 63 . A ATOM 487 N N B SER A 1 63 ? -4.398 5.956 15.106 0.5 15.35 ? 55 SER A N 1 63 . A ATOM 488 C CA A SER A 1 63 ? -4.286 4.576 15.755 0.5 15.85 ? 55 SER A CA 1 63 . A ATOM 489 C CA B SER A 1 63 ? -4.153 4.764 15.931 0.5 18.05 ? 55 SER A CA 1 63 . A ATOM 490 C C A SER A 1 63 ? -5.409 4.401 16.709 0.5 16.59 ? 55 SER A C 1 63 . A ATOM 491 C C B SER A 1 63 ? -5.262 4.495 16.893 0.5 17.81 ? 55 SER A C 1 63 . A ATOM 492 O O A SER A 1 63 ? -6.250 5.249 16.929 0.5 15.92 ? 55 SER A O 1 63 . A ATOM 493 O O B SER A 1 63 ? -5.914 5.420 17.373 0.5 16.46 ? 55 SER A O 1 63 . A ATOM 494 C CB A SER A 1 63 ? -2.934 4.114 16.420 0.5 16.3 ? 55 SER A CB 1 63 . A ATOM 495 C CB B SER A 1 63 ? -2.871 4.843 16.752 0.5 20.28 ? 55 SER A CB 1 63 . A ATOM 496 O OG A SER A 1 63 ? -2.684 4.615 17.747 0.5 10.01 ? 55 SER A OG 1 63 . A ATOM 497 O OG B SER A 1 63 ? -2.449 6.144 16.925 0.5 24.35 ? 55 SER A OG 1 63 . A ATOM 498 N N . THR A 1 64 ? -5.392 3.224 17.248 1.0 17.34 ? 56 THR A N 1 64 . A ATOM 499 C CA . THR A 1 64 ? -6.317 2.816 18.249 1.0 18.09 ? 56 THR A CA 1 64 . A ATOM 500 C C . THR A 1 64 ? -5.934 3.369 19.601 1.0 17.62 ? 56 THR A C 1 64 . A ATOM 501 O O . THR A 1 64 ? -6.792 3.393 20.469 1.0 20.53 ? 56 THR A O 1 64 . A ATOM 502 C CB . THR A 1 64 ? -6.272 1.266 18.305 1.0 20.19 ? 56 THR A CB 1 64 . A ATOM 503 O OG1 . THR A 1 64 ? -4.873 0.836 18.239 1.0 19.99 ? 56 THR A OG1 1 64 . A ATOM 504 C CG2 . THR A 1 64 ? -7.093 0.708 17.102 1.0 20.87 ? 56 THR A CG2 1 64 . A ATOM 505 N N . PHE A 1 65 ? -4.671 3.722 19.814 1.0 16.32 ? 57 PHE A N 1 65 . A ATOM 506 C CA . PHE A 1 65 ? -4.217 4.356 21.056 1.0 16.82 ? 57 PHE A CA 1 65 . A ATOM 507 C C . PHE A 1 65 ? -4.588 5.827 21.061 1.0 16.42 ? 57 PHE A C 1 65 . A ATOM 508 O O . PHE A 1 65 ? -5.497 6.245 21.751 1.0 18.82 ? 57 PHE A O 1 65 . A ATOM 509 C CB . PHE A 1 65 ? -2.718 4.104 21.293 1.0 17.84 ? 57 PHE A CB 1 65 . A ATOM 510 C CG . PHE A 1 65 ? -2.105 4.930 22.380 1.0 20.38 ? 57 PHE A CG 1 65 . A ATOM 511 C CD1 . PHE A 1 65 ? -2.642 4.961 23.639 1.0 21.99 ? 57 PHE A CD1 1 65 . A ATOM 512 C CD2 . PHE A 1 65 ? -0.955 5.657 22.133 1.0 19.58 ? 57 PHE A CD2 1 65 . A ATOM 513 C CE1 . PHE A 1 65 ? -2.043 5.753 24.649 1.0 23.48 ? 57 PHE A CE1 1 65 . A ATOM 514 C CE2 . PHE A 1 65 ? -0.356 6.442 23.153 1.0 22.53 ? 57 PHE A CE2 1 65 . A ATOM 515 C CZ . PHE A 1 65 ? -0.920 6.479 24.384 1.0 22.86 ? 57 PHE A CZ 1 65 . A ATOM 516 N N A LYS A 1 66 ? -3.901 6.578 20.227 0.5 17.18 ? 58 LYS A N 1 66 . A ATOM 517 N N B LYS A 1 66 ? -3.847 6.691 20.364 0.5 14.94 ? 58 LYS A N 1 66 . A ATOM 518 C CA A LYS A 1 66 ? -4.181 7.961 20.065 0.5 17.21 ? 58 LYS A CA 1 66 . A ATOM 519 C CA B LYS A 1 66 ? -4.091 8.160 20.401 0.5 13.6 ? 58 LYS A CA 1 66 . A ATOM 520 C C A LYS A 1 66 ? -4.092 8.281 18.618 0.5 16.86 ? 58 LYS A C 1 66 . A ATOM 521 C C B LYS A 1 66 ? -3.679 8.767 19.066 0.5 12.76 ? 58 LYS A C 1 66 . A ATOM 522 O O A LYS A 1 66 ? -3.608 7.541 17.745 0.5 17.76 ? 58 LYS A O 1 66 . A ATOM 523 O O B LYS A 1 66 ? -2.487 8.579 18.693 0.5 11.55 ? 58 LYS A O 1 66 . A ATOM 524 C CB A LYS A 1 66 ? -3.174 8.816 20.825 0.5 17.58 ? 58 LYS A CB 1 66 . A ATOM 525 C CB B LYS A 1 66 ? -3.262 8.798 21.525 0.5 12.69 ? 58 LYS A CB 1 66 . A ATOM 526 C CG A LYS A 1 66 ? -3.239 8.654 22.334 0.5 20.12 ? 58 LYS A CG 1 66 . A ATOM 527 C CG B LYS A 1 66 ? -3.391 10.313 21.600 0.5 14.41 ? 58 LYS A CG 1 66 . A ATOM 528 C CD A LYS A 1 66 ? -4.529 9.247 22.858 0.5 22.92 ? 58 LYS A CD 1 66 . A ATOM 529 C CD B LYS A 1 66 ? -4.713 10.780 22.026 0.5 16.7 ? 58 LYS A CD 1 66 . A ATOM 530 C CE A LYS A 1 66 ? -4.937 8.705 24.218 0.5 23.55 ? 58 LYS A CE 1 66 . A ATOM 531 C CE B LYS A 1 66 ? -4.803 12.264 21.783 0.5 20.0 ? 58 LYS A CE 1 66 . A ATOM 532 N NZ A LYS A 1 66 ? -6.363 9.073 24.491 0.5 25.39 ? 58 LYS A NZ 1 66 . A ATOM 533 N NZ B LYS A 1 66 ? -5.470 12.556 20.465 0.5 19.64 ? 58 LYS A NZ 1 66 . A ATOM 534 N N . ASN A 1 67 ? -4.667 9.400 18.352 1.0 13.54 ? 59 ASN A N 1 67 . A ATOM 535 C CA . ASN A 1 67 ? -4.393 10.060 17.072 1.0 13.91 ? 59 ASN A CA 1 67 . A ATOM 536 C C . ASN A 1 67 ? -3.566 11.300 17.362 1.0 14.28 ? 59 ASN A C 1 67 . A ATOM 537 O O . ASN A 1 67 ? -3.799 11.997 18.371 1.0 18.1 ? 59 ASN A O 1 67 . A ATOM 538 C CB . ASN A 1 67 ? -5.713 10.427 16.368 1.0 15.42 ? 59 ASN A CB 1 67 . A ATOM 539 C CG . ASN A 1 67 ? -6.615 9.255 16.075 1.0 16.26 ? 59 ASN A CG 1 67 . A ATOM 540 O OD1 . ASN A 1 67 ? -6.199 8.217 15.601 1.0 17.11 ? 59 ASN A OD1 1 67 . A ATOM 541 N ND2 . ASN A 1 67 ? -7.923 9.429 16.342 1.0 24.83 ? 59 ASN A ND2 1 67 . A ATOM 542 N N . THR A 1 68 ? -2.597 11.578 16.505 1.0 13.55 ? 60 THR A N 1 68 . A ATOM 543 C CA . THR A 1 68 ? -1.831 12.792 16.606 1.0 13.19 ? 60 THR A CA 1 68 . A ATOM 544 C C . THR A 1 68 ? -1.707 13.415 15.222 1.0 12.66 ? 60 THR A C 1 68 . A ATOM 545 O O . THR A 1 68 ? -1.802 12.739 14.194 1.0 11.69 ? 60 THR A O 1 68 . A ATOM 546 C CB . THR A 1 68 ? -0.467 12.561 17.192 1.0 13.34 ? 60 THR A CB 1 68 . A ATOM 547 O OG1 . THR A 1 68 ? 0.299 11.699 16.359 1.0 13.96 ? 60 THR A OG1 1 68 . A ATOM 548 C CG2 . THR A 1 68 ? -0.517 11.970 18.604 1.0 15.48 ? 60 THR A CG2 1 68 . A ATOM 549 N N . GLU A 1 69 ? -1.434 14.704 15.206 1.0 12.24 ? 61 GLU A N 1 69 . A ATOM 550 C CA . GLU A 1 69 ? -1.096 15.409 13.990 1.0 11.57 ? 61 GLU A CA 1 69 . A ATOM 551 C C . GLU A 1 69 ? -0.186 16.549 14.313 1.0 11.59 ? 61 GLU A C 1 69 . A ATOM 552 O O . GLU A 1 69 ? -0.452 17.359 15.210 1.0 13.98 ? 61 GLU A O 1 69 . A ATOM 553 C CB . GLU A 1 69 ? -2.345 15.913 13.322 1.0 13.24 ? 61 GLU A CB 1 69 . A ATOM 554 C CG . GLU A 1 69 ? -2.084 16.666 12.039 1.0 16.96 ? 61 GLU A CG 1 69 . A ATOM 555 C CD . GLU A 1 69 ? -3.394 17.147 11.445 1.0 22.23 ? 61 GLU A CD 1 69 . A ATOM 556 O OE1 . GLU A 1 69 ? -3.408 18.231 10.823 1.0 29.51 ? 61 GLU A OE1 1 69 . A ATOM 557 O OE2 . GLU A 1 69 ? -4.433 16.524 11.675 1.0 27.01 ? 61 GLU A OE2 1 69 . A ATOM 558 N N . ILE A 1 70 ? 0.886 16.640 13.544 1.0 10.42 ? 62 ILE A N 1 70 . A ATOM 559 C CA . ILE A 1 70 ? 1.814 17.766 13.636 1.0 10.31 ? 62 ILE A CA 1 70 . A ATOM 560 C C . ILE A 1 70 ? 2.000 18.377 12.240 1.0 9.7 ? 62 ILE A C 1 70 . A ATOM 561 O O . ILE A 1 70 ? 2.094 17.644 11.248 1.0 10.99 ? 62 ILE A O 1 70 . A ATOM 562 C CB . ILE A 1 70 ? 3.179 17.409 14.291 1.0 10.1 ? 62 ILE A CB 1 70 . A ATOM 563 C CG1 . ILE A 1 70 ? 3.983 16.329 13.511 1.0 12.03 ? 62 ILE A CG1 1 70 . A ATOM 564 C CG2 . ILE A 1 70 ? 2.957 16.977 15.742 1.0 13.59 ? 62 ILE A CG2 1 70 . A ATOM 565 C CD1 . ILE A 1 70 ? 5.383 16.082 13.989 1.0 12.48 ? 62 ILE A CD1 1 70 . A ATOM 566 N N . SER A 1 71 ? 1.997 19.682 12.178 1.0 8.72 ? 63 SER A N 1 71 . A ATOM 567 C CA . SER A 1 71 ? 2.408 20.450 10.991 1.0 8.57 ? 63 SER A CA 1 71 . A ATOM 568 C C . SER A 1 71 ? 3.545 21.389 11.320 1.0 8.22 ? 63 SER A C 1 71 . A ATOM 569 O O . SER A 1 71 ? 3.521 22.003 12.379 1.0 9.77 ? 63 SER A O 1 71 . A ATOM 570 C CB . SER A 1 71 ? 1.217 21.221 10.388 1.0 9.79 ? 63 SER A CB 1 71 . A ATOM 571 O OG . SER A 1 71 ? 0.193 20.359 9.966 1.0 12.08 ? 63 SER A OG 1 71 . A ATOM 572 N N . PHE A 1 72 ? 4.507 21.501 10.441 1.0 8.15 ? 64 PHE A N 1 72 . A ATOM 573 C CA . PHE A 1 72 ? 5.681 22.238 10.741 1.0 8.98 ? 64 PHE A CA 1 72 . A ATOM 574 C C . PHE A 1 72 ? 6.416 22.649 9.463 1.0 7.69 ? 64 PHE A C 1 72 . A ATOM 575 O O . PHE A 1 72 ? 6.210 22.089 8.405 1.0 9.1 ? 64 PHE A O 1 72 . A ATOM 576 C CB . PHE A 1 72 ? 6.619 21.367 11.658 1.0 10.08 ? 64 PHE A CB 1 72 . A ATOM 577 C CG . PHE A 1 72 ? 6.993 20.042 11.044 1.0 8.95 ? 64 PHE A CG 1 72 . A ATOM 578 C CD1 . PHE A 1 72 ? 6.150 18.961 11.207 1.0 9.45 ? 64 PHE A CD1 1 72 . A ATOM 579 C CD2 . PHE A 1 72 ? 8.123 19.903 10.317 1.0 9.2 ? 64 PHE A CD2 1 72 . A ATOM 580 C CE1 . PHE A 1 72 ? 6.409 17.765 10.533 1.0 9.83 ? 64 PHE A CE1 1 72 . A ATOM 581 C CE2 . PHE A 1 72 ? 8.411 18.691 9.705 1.0 11.18 ? 64 PHE A CE2 1 72 . A ATOM 582 C CZ . PHE A 1 72 ? 7.519 17.658 9.870 1.0 9.64 ? 64 PHE A CZ 1 72 . A ATOM 583 N N . ILE A 1 73 ? 7.360 23.531 9.645 1.0 7.88 ? 65 ILE A N 1 73 . A ATOM 584 C CA . ILE A 1 73 ? 8.318 23.985 8.668 1.0 8.17 ? 65 ILE A CA 1 73 . A ATOM 585 C C . ILE A 1 73 ? 9.689 23.568 9.145 1.0 8.93 ? 65 ILE A C 1 73 . A ATOM 586 O O . ILE A 1 73 ? 9.989 23.682 10.322 1.0 8.38 ? 65 ILE A O 1 73 . A ATOM 587 C CB . ILE A 1 73 ? 8.199 25.516 8.437 1.0 9.58 ? 65 ILE A CB 1 73 . A ATOM 588 C CG1 . ILE A 1 73 ? 6.816 25.859 7.890 1.0 10.77 ? 65 ILE A CG1 1 73 . A ATOM 589 C CG2 . ILE A 1 73 ? 9.342 25.980 7.552 1.0 11.08 ? 65 ILE A CG2 1 73 . A ATOM 590 C CD1 . ILE A 1 73 ? 6.547 27.395 7.823 1.0 14.05 ? 65 ILE A CD1 1 73 . A ATOM 591 N N . LEU A 1 74 ? 10.490 23.004 8.271 1.0 8.2 ? 66 LEU A N 1 74 . A ATOM 592 C CA . LEU A 1 74 ? 11.752 22.511 8.645 1.0 7.73 ? 66 LEU A CA 1 74 . A ATOM 593 C C . LEU A 1 74 ? 12.608 23.606 9.304 1.0 9.53 ? 66 LEU A C 1 74 . A ATOM 594 O O . LEU A 1 74 ? 12.679 24.725 8.785 1.0 10.13 ? 66 LEU A O 1 74 . A ATOM 595 C CB . LEU A 1 74 ? 12.519 21.913 7.419 1.0 9.53 ? 66 LEU A CB 1 74 . A ATOM 596 C CG . LEU A 1 74 ? 11.914 20.659 6.802 1.0 11.29 ? 66 LEU A CG 1 74 . A ATOM 597 C CD1 . LEU A 1 74 ? 12.524 20.372 5.407 1.0 14.48 ? 66 LEU A CD1 1 74 . A ATOM 598 C CD2 . LEU A 1 74 ? 12.039 19.521 7.738 1.0 12.49 ? 66 LEU A CD2 1 74 . A ATOM 599 N N . GLY A 1 75 ? 13.291 23.264 10.398 1.0 9.0 ? 67 GLY A N 1 75 . A ATOM 600 C CA . GLY A 1 75 ? 14.120 24.175 11.124 1.0 9.96 ? 67 GLY A CA 1 75 . A ATOM 601 C C . GLY A 1 75 ? 13.450 25.083 12.110 1.0 8.99 ? 67 GLY A C 1 75 . A ATOM 602 O O . GLY A 1 75 ? 14.146 25.836 12.806 1.0 9.62 ? 67 GLY A O 1 75 . A ATOM 603 N N . GLN A 1 76 ? 12.132 25.064 12.161 1.0 8.61 ? 68 GLN A N 1 76 . A ATOM 604 C CA . GLN A 1 76 ? 11.304 26.044 12.900 1.0 9.37 ? 68 GLN A CA 1 76 . A ATOM 605 C C . GLN A 1 76 ? 10.573 25.360 14.059 1.0 9.12 ? 68 GLN A C 1 76 . A ATOM 606 O O . GLN A 1 76 ? 9.689 24.532 13.879 1.0 9.37 ? 68 GLN A O 1 76 . A ATOM 607 C CB . GLN A 1 76 ? 10.316 26.750 11.982 1.0 10.47 ? 68 GLN A CB 1 76 . A ATOM 608 C CG . GLN A 1 76 ? 11.130 27.404 10.833 1.0 12.59 ? 68 GLN A CG 1 76 . A ATOM 609 C CD . GLN A 1 76 ? 10.432 28.427 10.039 1.0 15.0 ? 68 GLN A CD 1 76 . A ATOM 610 O OE1 . GLN A 1 76 ? 9.239 28.772 10.274 1.0 17.48 ? 68 GLN A OE1 1 76 . A ATOM 611 N NE2 . GLN A 1 76 ? 11.169 28.981 9.060 1.0 15.42 ? 68 GLN A NE2 1 76 . A ATOM 612 N N A GLU A 1 77 ? 10.965 25.721 15.280 0.5 8.99 ? 69 GLU A N 1 77 . A ATOM 613 N N B GLU A 1 77 ? 11.007 25.731 15.288 0.5 9.85 ? 69 GLU A N 1 77 . A ATOM 614 C CA A GLU A 1 77 ? 10.453 24.986 16.429 0.5 9.33 ? 69 GLU A CA 1 77 . A ATOM 615 C CA B GLU A 1 77 ? 10.443 25.188 16.558 0.5 11.45 ? 69 GLU A CA 1 77 . A ATOM 616 C C A GLU A 1 77 ? 8.973 25.255 16.704 0.5 9.46 ? 69 GLU A C 1 77 . A ATOM 617 C C B GLU A 1 77 ? 8.935 25.238 16.569 0.5 10.05 ? 69 GLU A C 1 77 . A ATOM 618 O O A GLU A 1 77 ? 8.439 26.362 16.501 0.5 8.09 ? 69 GLU A O 1 77 . A ATOM 619 O O B GLU A 1 77 ? 8.360 26.214 16.030 0.5 7.53 ? 69 GLU A O 1 77 . A ATOM 620 C CB A GLU A 1 77 ? 11.341 25.336 17.639 0.5 9.54 ? 69 GLU A CB 1 77 . A ATOM 621 C CB B GLU A 1 77 ? 10.986 26.021 17.775 0.5 12.11 ? 69 GLU A CB 1 77 . A ATOM 622 C CG A GLU A 1 77 ? 10.740 25.075 19.078 0.5 12.46 ? 69 GLU A CG 1 77 . A ATOM 623 C CG B GLU A 1 77 ? 10.285 27.325 18.010 0.5 17.91 ? 69 GLU A CG 1 77 . A ATOM 624 C CD A GLU A 1 77 ? 11.558 25.709 20.172 0.5 19.19 ? 69 GLU A CD 1 77 . A ATOM 625 C CD B GLU A 1 77 ? 10.764 28.129 19.228 0.5 19.0 ? 69 GLU A CD 1 77 . A ATOM 626 O OE1 A GLU A 1 77 ? 11.359 26.907 20.455 0.5 22.75 ? 69 GLU A OE1 1 77 . A ATOM 627 O OE1 B GLU A 1 77 ? 11.731 27.729 19.900 0.5 16.49 ? 69 GLU A OE1 1 77 . A ATOM 628 O OE2 A GLU A 1 77 ? 12.386 24.988 20.735 0.5 22.91 ? 69 GLU A OE2 1 77 . A ATOM 629 O OE2 B GLU A 1 77 ? 10.173 29.199 19.489 0.5 24.57 ? 69 GLU A OE2 1 77 . A ATOM 630 N N . PHE A 1 78 ? 8.289 24.225 17.191 1.0 9.0 ? 70 PHE A N 1 78 . A ATOM 631 C CA . PHE A 1 78 ? 6.877 24.209 17.449 1.0 8.68 ? 70 PHE A CA 1 78 . A ATOM 632 C C . PHE A 1 78 ? 6.628 23.427 18.725 1.0 9.33 ? 70 PHE A C 1 78 . A ATOM 633 O O . PHE A 1 78 ? 7.401 22.651 19.222 1.0 10.8 ? 70 PHE A O 1 78 . A ATOM 634 C CB . PHE A 1 78 ? 6.130 23.612 16.239 1.0 9.73 ? 70 PHE A CB 1 78 . A ATOM 635 C CG . PHE A 1 78 ? 6.500 22.196 15.895 1.0 8.79 ? 70 PHE A CG 1 78 . A ATOM 636 C CD1 . PHE A 1 78 ? 7.571 21.925 15.122 1.0 7.57 ? 70 PHE A CD1 1 78 . A ATOM 637 C CD2 . PHE A 1 78 ? 5.709 21.164 16.335 1.0 11.65 ? 70 PHE A CD2 1 78 . A ATOM 638 C CE1 . PHE A 1 78 ? 7.932 20.611 14.768 1.0 8.56 ? 70 PHE A CE1 1 78 . A ATOM 639 C CE2 . PHE A 1 78 ? 6.020 19.848 16.007 1.0 12.07 ? 70 PHE A CE2 1 78 . A ATOM 640 C CZ . PHE A 1 78 ? 7.083 19.578 15.230 1.0 10.88 ? 70 PHE A CZ 1 78 . A ATOM 641 N N . ASP A 1 79 ? 5.443 23.700 19.237 1.0 10.43 ? 71 ASP A N 1 79 . A ATOM 642 C CA . ASP A 1 79 ? 4.871 22.970 20.384 1.0 11.11 ? 71 ASP A CA 1 79 . A ATOM 643 C C . ASP A 1 79 ? 4.125 21.730 19.938 1.0 11.85 ? 71 ASP A C 1 79 . A ATOM 644 O O . ASP A 1 79 ? 3.393 21.732 18.937 1.0 14.1 ? 71 ASP A O 1 79 . A ATOM 645 C CB . ASP A 1 79 ? 3.788 23.834 21.036 1.0 12.52 ? 71 ASP A CB 1 79 . A ATOM 646 C CG . ASP A 1 79 ? 4.320 25.049 21.656 1.0 15.35 ? 71 ASP A CG 1 79 . A ATOM 647 O OD1 . ASP A 1 79 ? 5.271 24.902 22.430 1.0 17.62 ? 71 ASP A OD1 1 79 . A ATOM 648 O OD2 . ASP A 1 79 ? 3.701 26.139 21.432 1.0 15.76 ? 71 ASP A OD2 1 79 . A ATOM 649 N N . GLU A 1 80 ? 4.366 20.628 20.664 1.0 12.16 ? 72 GLU A N 1 80 . A ATOM 650 C CA . GLU A 1 80 ? 3.797 19.336 20.319 1.0 12.62 ? 72 GLU A CA 1 80 . A ATOM 651 C C . GLU A 1 80 ? 3.304 18.707 21.622 1.0 14.15 ? 72 GLU A C 1 80 . A ATOM 652 O O . GLU A 1 80 ? 3.948 18.736 22.625 1.0 13.95 ? 72 GLU A O 1 80 . A ATOM 653 C CB . GLU A 1 80 ? 4.886 18.458 19.649 1.0 12.49 ? 72 GLU A CB 1 80 . A ATOM 654 C CG . GLU A 1 80 ? 4.485 16.998 19.336 1.0 12.77 ? 72 GLU A CG 1 80 . A ATOM 655 C CD . GLU A 1 80 ? 5.527 16.195 18.634 1.0 12.41 ? 72 GLU A CD 1 80 . A ATOM 656 O OE1 . GLU A 1 80 ? 6.652 16.639 18.556 1.0 13.72 ? 72 GLU A OE1 1 80 . A ATOM 657 O OE2 . GLU A 1 80 ? 5.158 15.083 18.191 1.0 16.18 ? 72 GLU A OE2 1 80 . A ATOM 658 N N . VAL A 1 81 ? 2.137 18.126 21.579 1.0 13.63 ? 73 VAL A N 1 81 . A ATOM 659 C CA . VAL A 1 81 ? 1.621 17.305 22.679 1.0 13.49 ? 73 VAL A CA 1 81 . A ATOM 660 C C . VAL A 1 81 ? 1.684 15.868 22.154 1.0 13.41 ? 73 VAL A C 1 81 . A ATOM 661 O O . VAL A 1 81 ? 1.015 15.498 21.208 1.0 15.58 ? 73 VAL A O 1 81 . A ATOM 662 C CB . VAL A 1 81 ? 0.244 17.718 23.174 1.0 15.87 ? 73 VAL A CB 1 81 . A ATOM 663 C CG1 . VAL A 1 81 ? -0.216 16.734 24.283 1.0 17.44 ? 73 VAL A CG1 1 81 . A ATOM 664 C CG2 . VAL A 1 81 ? 0.273 19.188 23.777 1.0 17.71 ? 73 VAL A CG2 1 81 . A ATOM 665 N N . THR A 1 82 ? 2.590 15.070 22.697 1.0 12.8 ? 74 THR A N 1 82 . A ATOM 666 C CA . THR A 1 82 ? 2.787 13.721 22.192 1.0 12.53 ? 74 THR A CA 1 82 . A ATOM 667 C C . THR A 1 82 ? 1.649 12.752 22.542 1.0 13.15 ? 74 THR A C 1 82 . A ATOM 668 O O . THR A 1 82 ? 0.780 13.062 23.343 1.0 13.79 ? 74 THR A O 1 82 . A ATOM 669 C CB . THR A 1 82 ? 4.140 13.167 22.714 1.0 12.69 ? 74 THR A CB 1 82 . A ATOM 670 O OG1 . THR A 1 82 ? 3.965 13.002 24.126 1.0 13.57 ? 74 THR A OG1 1 82 . A ATOM 671 C CG2 . THR A 1 82 ? 5.295 14.106 22.406 1.0 11.57 ? 74 THR A CG2 1 82 . A ATOM 672 N N . ALA A 1 83 ? 1.671 11.572 21.929 1.0 13.76 ? 75 ALA A N 1 83 . A ATOM 673 C CA . ALA A 1 83 ? 0.580 10.583 22.114 1.0 15.27 ? 75 ALA A CA 1 83 . A ATOM 674 C C . ALA A 1 83 ? 0.471 10.183 23.591 1.0 14.87 ? 75 ALA A C 1 83 . A ATOM 675 O O . ALA A 1 83 ? -0.616 9.890 24.102 1.0 17.27 ? 75 ALA A O 1 83 . A ATOM 676 C CB . ALA A 1 83 ? 0.809 9.329 21.221 1.0 15.03 ? 75 ALA A CB 1 83 . A ATOM 677 N N . ASP A 1 84 ? 1.635 10.181 24.270 1.0 14.06 ? 76 ASP A N 1 84 . A ATOM 678 C CA . ASP A 1 84 ? 1.645 9.888 25.717 1.0 14.28 ? 76 ASP A CA 1 84 . A ATOM 679 C C . ASP A 1 84 ? 1.475 11.120 26.607 1.0 14.88 ? 76 ASP A C 1 84 . A ATOM 680 O O . ASP A 1 84 ? 1.623 11.046 27.808 1.0 17.48 ? 76 ASP A O 1 84 . A ATOM 681 C CB . ASP A 1 84 ? 2.904 9.141 26.115 1.0 14.08 ? 76 ASP A CB 1 84 . A ATOM 682 C CG . ASP A 1 84 ? 4.199 9.933 25.808 1.0 12.79 ? 76 ASP A CG 1 84 . A ATOM 683 O OD1 . ASP A 1 84 ? 4.329 10.438 24.654 1.0 13.77 ? 76 ASP A OD1 1 84 . A ATOM 684 O OD2 . ASP A 1 84 ? 5.074 10.129 26.703 1.0 13.7 ? 76 ASP A OD2 1 84 . A ATOM 685 N N . ASP A 1 85 ? 1.112 12.260 26.026 1.0 14.13 ? 77 ASP A N 1 85 . A ATOM 686 C CA . ASP A 1 85 ? 0.711 13.487 26.735 1.0 16.5 ? 77 ASP A CA 1 85 . A ATOM 687 C C . ASP A 1 85 ? 1.890 14.232 27.346 1.0 15.84 ? 77 ASP A C 1 85 . A ATOM 688 O O . ASP A 1 85 ? 1.709 14.944 28.340 1.0 18.12 ? 77 ASP A O 1 85 . A ATOM 689 C CB . ASP A 1 85 ? -0.427 13.269 27.743 1.0 16.83 ? 77 ASP A CB 1 85 . A ATOM 690 C CG . ASP A 1 85 ? -1.287 14.496 27.907 1.0 22.22 ? 77 ASP A CG 1 85 . A ATOM 691 O OD1 . ASP A 1 85 ? -1.946 14.600 28.963 1.0 28.9 ? 77 ASP A OD1 1 85 . A ATOM 692 O OD2 . ASP A 1 85 ? -1.357 15.360 26.994 1.0 27.62 ? 77 ASP A OD2 1 85 . A ATOM 693 N N . ARG A 1 86 ? 3.077 14.165 26.733 1.0 14.8 ? 78 ARG A N 1 86 . A ATOM 694 C CA . ARG A 1 86 ? 4.139 15.107 27.102 1.0 14.19 ? 78 ARG A CA 1 86 . A ATOM 695 C C . ARG A 1 86 ? 3.947 16.357 26.269 1.0 14.21 ? 78 ARG A C 1 86 . A ATOM 696 O O . ARG A 1 86 ? 3.617 16.301 25.111 1.0 15.03 ? 78 ARG A O 1 86 . A ATOM 697 C CB . ARG A 1 86 ? 5.526 14.561 26.761 1.0 14.54 ? 78 ARG A CB 1 86 . A ATOM 698 C CG . ARG A 1 86 ? 6.130 13.475 27.702 1.0 14.01 ? 78 ARG A CG 1 86 . A ATOM 699 C CD . ARG A 1 86 ? 7.375 12.868 27.128 1.0 12.51 ? 78 ARG A CD 1 86 . A ATOM 700 N NE . ARG A 1 86 ? 7.000 11.979 26.032 1.0 12.68 ? 78 ARG A NE 1 86 . A ATOM 701 C CZ . ARG A 1 86 ? 7.593 11.963 24.853 1.0 11.44 ? 78 ARG A CZ 1 86 . A ATOM 702 N NH1 . ARG A 1 86 ? 8.620 12.737 24.586 1.0 10.83 ? 78 ARG A NH1 1 86 . A ATOM 703 N NH2 . ARG A 1 86 ? 7.126 11.206 23.906 1.0 13.23 ? 78 ARG A NH2 1 86 . A ATOM 704 N N . LYS A 1 87 ? 4.237 17.480 26.907 1.0 14.49 ? 79 LYS A N 1 87 . A ATOM 705 C CA . LYS A 1 87 ? 4.186 18.779 26.234 1.0 14.58 ? 79 LYS A CA 1 87 . A ATOM 706 C C . LYS A 1 87 ? 5.600 19.143 25.915 1.0 13.38 ? 79 LYS A C 1 87 . A ATOM 707 O O . LYS A 1 87 ? 6.397 19.403 26.821 1.0 16.5 ? 79 LYS A O 1 87 . A ATOM 708 C CB . LYS A 1 87 ? 3.504 19.835 27.109 1.0 15.8 ? 79 LYS A CB 1 87 . A ATOM 709 C CG . LYS A 1 87 ? 2.028 19.608 27.214 1.0 23.23 ? 79 LYS A CG 1 87 . A ATOM 710 C CD . LYS A 1 87 ? 1.601 18.462 28.079 1.0 29.98 ? 79 LYS A CD 1 87 . A ATOM 711 C CE . LYS A 1 87 ? 0.129 18.607 28.515 1.0 33.43 ? 79 LYS A CE 1 87 . A ATOM 712 N NZ . LYS A 1 87 ? -0.611 17.325 28.423 1.0 34.82 ? 79 LYS A NZ 1 87 . A ATOM 713 N N . VAL A 1 88 ? 5.991 19.037 24.633 1.0 12.3 ? 80 VAL A N 1 88 . A ATOM 714 C CA . VAL A 1 88 ? 7.394 19.138 24.229 1.0 11.71 ? 80 VAL A CA 1 88 . A ATOM 715 C C . VAL A 1 88 ? 7.548 20.298 23.257 1.0 11.07 ? 80 VAL A C 1 88 . A ATOM 716 O O . VAL A 1 88 ? 6.597 20.784 22.643 1.0 11.56 ? 80 VAL A O 1 88 . A ATOM 717 C CB . VAL A 1 88 ? 7.882 17.810 23.574 1.0 11.15 ? 80 VAL A CB 1 88 . A ATOM 718 C CG1 . VAL A 1 88 ? 7.627 16.588 24.519 1.0 12.58 ? 80 VAL A CG1 1 88 . A ATOM 719 C CG2 . VAL A 1 88 ? 7.216 17.556 22.233 1.0 12.41 ? 80 VAL A CG2 1 88 . A ATOM 720 N N A LYS A 1 89 ? 8.795 20.739 23.166 0.5 10.51 ? 81 LYS A N 1 89 . A ATOM 721 N N B LYS A 1 89 ? 8.793 20.725 23.151 0.5 10.72 ? 81 LYS A N 1 89 . A ATOM 722 C CA A LYS A 1 89 ? 9.221 21.686 22.136 0.5 10.16 ? 81 LYS A CA 1 89 . A ATOM 723 C CA B LYS A 1 89 ? 9.188 21.672 22.124 0.5 10.71 ? 81 LYS A CA 1 89 . A ATOM 724 C C A LYS A 1 89 ? 9.983 20.883 21.101 0.5 10.42 ? 81 LYS A C 1 89 . A ATOM 725 C C B LYS A 1 89 ? 10.005 20.919 21.094 0.5 10.64 ? 81 LYS A C 1 89 . A ATOM 726 O O A LYS A 1 89 ? 10.929 20.181 21.428 0.5 10.59 ? 81 LYS A O 1 89 . A ATOM 727 O O B LYS A 1 89 ? 11.017 20.306 21.415 0.5 11.05 ? 81 LYS A O 1 89 . A ATOM 728 C CB A LYS A 1 89 ? 10.135 22.769 22.734 0.5 12.47 ? 81 LYS A CB 1 89 . A ATOM 729 C CB B LYS A 1 89 ? 10.027 22.793 22.722 0.5 13.13 ? 81 LYS A CB 1 89 . A ATOM 730 C CG A LYS A 1 89 ? 9.490 23.598 23.812 0.5 14.37 ? 81 LYS A CG 1 89 . A ATOM 731 C CG B LYS A 1 89 ? 10.170 23.933 21.779 0.5 16.29 ? 81 LYS A CG 1 89 . A ATOM 732 C CD A LYS A 1 89 ? 8.508 24.588 23.255 0.5 16.59 ? 81 LYS A CD 1 89 . A ATOM 733 C CD B LYS A 1 89 ? 9.203 24.987 22.185 0.5 22.02 ? 81 LYS A CD 1 89 . A ATOM 734 C CE A LYS A 1 89 ? 7.856 25.366 24.406 0.5 17.1 ? 81 LYS A CE 1 89 . A ATOM 735 C CE B LYS A 1 89 ? 9.538 25.513 23.571 0.5 24.06 ? 81 LYS A CE 1 89 . A ATOM 736 N NZ A LYS A 1 89 ? 6.858 26.389 23.958 0.5 17.49 ? 81 LYS A NZ 1 89 . A ATOM 737 N NZ B LYS A 1 89 ? 8.409 26.317 24.055 0.5 25.57 ? 81 LYS A NZ 1 89 . A ATOM 738 N N . SER A 1 90 ? 9.544 20.945 19.854 1.0 9.38 ? 82 SER A N 1 90 . A ATOM 739 C CA . SER A 1 90 ? 10.074 20.104 18.795 1.0 9.49 ? 82 SER A CA 1 90 . A ATOM 740 C C . SER A 1 90 ? 10.665 20.950 17.676 1.0 8.43 ? 82 SER A C 1 90 . A ATOM 741 O O . SER A 1 90 ? 10.141 22.013 17.320 1.0 9.18 ? 82 SER A O 1 90 . A ATOM 742 C CB . SER A 1 90 ? 8.895 19.299 18.236 1.0 10.14 ? 82 SER A CB 1 90 . A ATOM 743 O OG . SER A 1 90 ? 8.555 18.303 19.185 1.0 12.58 ? 82 SER A OG 1 90 . A ATOM 744 N N . THR A 1 91 ? 11.732 20.416 17.103 1.0 8.37 ? 83 THR A N 1 91 . A ATOM 745 C CA . THR A 1 91 ? 12.310 20.949 15.877 1.0 8.69 ? 83 THR A CA 1 91 . A ATOM 746 C C . THR A 1 91 ? 12.584 19.782 14.953 1.0 9.18 ? 83 THR A C 1 91 . A ATOM 747 O O . THR A 1 91 ? 13.160 18.778 15.374 1.0 9.92 ? 83 THR A O 1 91 . A ATOM 748 C CB . THR A 1 91 ? 13.540 21.750 16.136 1.0 10.13 ? 83 THR A CB 1 91 . A ATOM 749 O OG1 . THR A 1 91 ? 13.360 22.665 17.200 1.0 13.08 ? 83 THR A OG1 1 91 . A ATOM 750 C CG2 . THR A 1 91 ? 13.952 22.478 14.894 1.0 13.49 ? 83 THR A CG2 1 91 . A ATOM 751 N N . ILE A 1 92 ? 12.152 19.904 13.697 1.0 9.17 ? 84 ILE A N 1 92 . A ATOM 752 C CA . ILE A 1 92 ? 12.393 18.895 12.685 1.0 8.83 ? 84 ILE A CA 1 92 . A ATOM 753 C C . ILE A 1 92 ? 13.211 19.480 11.560 1.0 8.34 ? 84 ILE A C 1 92 . A ATOM 754 O O . ILE A 1 92 ? 12.867 20.563 11.055 1.0 9.63 ? 84 ILE A O 1 92 . A ATOM 755 C CB . ILE A 1 92 ? 11.049 18.266 12.175 1.0 8.41 ? 84 ILE A CB 1 92 . A ATOM 756 C CG1 . ILE A 1 92 ? 10.213 17.651 13.330 1.0 8.58 ? 84 ILE A CG1 1 92 . A ATOM 757 C CG2 . ILE A 1 92 ? 11.354 17.200 11.132 1.0 9.86 ? 84 ILE A CG2 1 92 . A ATOM 758 C CD1 . ILE A 1 92 ? 8.911 17.077 13.038 1.0 8.98 ? 84 ILE A CD1 1 92 . A ATOM 759 N N . THR A 1 93 ? 14.314 18.817 11.211 1.0 8.48 ? 85 THR A N 1 93 . A ATOM 760 C CA . THR A 1 93 ? 15.185 19.204 10.138 1.0 10.01 ? 85 THR A CA 1 93 . A ATOM 761 C C . THR A 1 93 ? 15.408 18.028 9.216 1.0 10.66 ? 85 THR A C 1 93 . A ATOM 762 O O . THR A 1 93 ? 15.086 16.912 9.541 1.0 10.95 ? 85 THR A O 1 93 . A ATOM 763 C CB . THR A 1 93 ? 16.479 19.760 10.679 1.0 9.76 ? 85 THR A CB 1 93 . A ATOM 764 O OG1 . THR A 1 93 ? 17.087 18.720 11.472 1.0 13.98 ? 85 THR A OG1 1 93 . A ATOM 765 C CG2 . THR A 1 93 ? 16.295 21.003 11.501 1.0 14.4 ? 85 THR A CG2 1 93 . A ATOM 766 N N A LEU A 1 94 ? 16.208 18.257 8.185 0.5 10.43 ? 86 LEU A N 1 94 . A ATOM 767 N N B LEU A 1 94 ? 15.756 18.334 7.970 0.5 11.44 ? 86 LEU A N 1 94 . A ATOM 768 C CA A LEU A 1 94 ? 16.745 17.164 7.378 0.5 11.48 ? 86 LEU A CA 1 94 . A ATOM 769 C CA B LEU A 1 94 ? 16.146 17.338 6.980 0.5 11.87 ? 86 LEU A CA 1 94 . A ATOM 770 C C A LEU A 1 94 ? 18.236 17.048 7.628 0.5 11.54 ? 86 LEU A C 1 94 . A ATOM 771 C C B LEU A 1 94 ? 17.645 17.350 6.892 0.5 13.07 ? 86 LEU A C 1 94 . A ATOM 772 O O A LEU A 1 94 ? 18.921 18.096 7.630 0.5 13.08 ? 86 LEU A O 1 94 . A ATOM 773 O O B LEU A 1 94 ? 18.267 18.364 6.509 0.5 15.98 ? 86 LEU A O 1 94 . A ATOM 774 C CB A LEU A 1 94 ? 16.518 17.383 5.909 0.5 11.85 ? 86 LEU A CB 1 94 . A ATOM 775 C CB B LEU A 1 94 ? 15.544 17.629 5.591 0.5 13.17 ? 86 LEU A CB 1 94 . A ATOM 776 C CG A LEU A 1 94 ? 15.120 17.088 5.409 0.5 11.86 ? 86 LEU A CG 1 94 . A ATOM 777 C CG B LEU A 1 94 ? 14.304 16.892 5.064 0.5 16.13 ? 86 LEU A CG 1 94 . A ATOM 778 C CD1 A LEU A 1 94 ? 14.873 17.781 4.045 0.5 14.01 ? 86 LEU A CD1 1 94 . A ATOM 779 C CD1 B LEU A 1 94 ? 13.942 17.403 3.671 0.5 16.42 ? 86 LEU A CD1 1 94 . A ATOM 780 C CD2 A LEU A 1 94 ? 14.928 15.556 5.301 0.5 10.47 ? 86 LEU A CD2 1 94 . A ATOM 781 C CD2 B LEU A 1 94 ? 14.468 15.374 5.037 0.5 14.89 ? 86 LEU A CD2 1 94 . A ATOM 782 N N A ASP A 1 95 ? 18.731 15.811 7.816 0.5 11.45 ? 87 ASP A N 1 95 . A ATOM 783 N N B ASP A 1 95 ? 18.244 16.227 7.257 0.5 12.72 ? 87 ASP A N 1 95 . A ATOM 784 C CA A ASP A 1 95 ? 20.162 15.456 7.844 0.5 12.75 ? 87 ASP A CA 1 95 . A ATOM 785 C CA B ASP A 1 95 ? 19.668 16.094 7.321 0.5 14.13 ? 87 ASP A CA 1 95 . A ATOM 786 C C A ASP A 1 95 ? 20.402 14.512 6.687 0.5 12.25 ? 87 ASP A C 1 95 . A ATOM 787 C C B ASP A 1 95 ? 20.074 14.955 6.413 0.5 13.66 ? 87 ASP A C 1 95 . A ATOM 788 O O A ASP A 1 95 ? 20.192 13.302 6.795 0.5 13.26 ? 87 ASP A O 1 95 . A ATOM 789 O O B ASP A 1 95 ? 19.761 13.791 6.687 0.5 14.09 ? 87 ASP A O 1 95 . A ATOM 790 C CB A ASP A 1 95 ? 20.606 14.797 9.174 0.5 13.76 ? 87 ASP A CB 1 95 . A ATOM 791 C CB B ASP A 1 95 ? 20.126 15.824 8.756 0.5 15.0 ? 87 ASP A CB 1 95 . A ATOM 792 C CG A ASP A 1 95 ? 22.085 14.373 9.175 0.5 17.26 ? 87 ASP A CG 1 95 . A ATOM 793 C CG B ASP A 1 95 ? 21.650 15.690 8.877 0.5 19.14 ? 87 ASP A CG 1 95 . A ATOM 794 O OD1 A ASP A 1 95 ? 22.835 14.798 8.285 0.5 21.11 ? 87 ASP A OD1 1 95 . A ATOM 795 O OD1 B ASP A 1 95 ? 22.384 16.270 8.046 0.5 23.57 ? 87 ASP A OD1 1 95 . A ATOM 796 O OD2 A ASP A 1 95 ? 22.503 13.618 10.088 0.5 22.85 ? 87 ASP A OD2 1 95 . A ATOM 797 O OD2 B ASP A 1 95 ? 22.121 15.008 9.807 0.5 23.64 ? 87 ASP A OD2 1 95 . A ATOM 798 N N A GLY A 1 96 ? 20.888 15.074 5.583 0.5 13.79 ? 88 GLY A N 1 96 . A ATOM 799 N N B GLY A 1 96 ? 20.748 15.281 5.309 0.5 14.15 ? 88 GLY A N 1 96 . A ATOM 800 C CA A GLY A 1 96 ? 20.819 14.377 4.320 0.5 14.22 ? 88 GLY A CA 1 96 . A ATOM 801 C CA B GLY A 1 96 ? 21.167 14.225 4.421 0.5 14.56 ? 88 GLY A CA 1 96 . A ATOM 802 C C A GLY A 1 96 ? 19.402 14.064 3.899 0.5 13.69 ? 88 GLY A C 1 96 . A ATOM 803 C C B GLY A 1 96 ? 19.997 13.304 4.094 0.5 13.92 ? 88 GLY A C 1 96 . A ATOM 804 O O A GLY A 1 96 ? 18.577 14.962 3.749 0.5 13.34 ? 88 GLY A O 1 96 . A ATOM 805 O O B GLY A 1 96 ? 20.157 12.098 4.065 0.5 13.61 ? 88 GLY A O 1 96 . A ATOM 806 N N A GLY A 1 97 ? 19.138 12.778 3.704 0.5 12.99 ? 89 GLY A N 1 97 . A ATOM 807 N N B GLY A 1 97 ? 18.815 13.854 3.837 0.5 12.94 ? 89 GLY A N 1 97 . A ATOM 808 C CA A GLY A 1 97 ? 17.801 12.247 3.440 0.5 13.41 ? 89 GLY A CA 1 97 . A ATOM 809 C CA B GLY A 1 97 ? 17.680 13.039 3.489 0.5 12.62 ? 89 GLY A CA 1 97 . A ATOM 810 C C A GLY A 1 97 ? 17.054 11.798 4.680 0.5 12.3 ? 89 GLY A C 1 97 . A ATOM 811 C C B GLY A 1 97 ? 16.897 12.315 4.610 0.5 12.41 ? 89 GLY A C 1 97 . A ATOM 812 O O A GLY A 1 97 ? 16.122 10.984 4.603 0.5 12.67 ? 89 GLY A O 1 97 . A ATOM 813 O O B GLY A 1 97 ? 15.815 11.774 4.345 0.5 12.29 ? 89 GLY A O 1 97 . A ATOM 814 N N . VAL A 1 98 ? 17.436 12.312 5.852 1.0 12.43 ? 90 VAL A N 1 98 . A ATOM 815 C CA . VAL A 1 98 ? 16.771 11.818 7.092 1.0 11.27 ? 90 VAL A CA 1 98 . A ATOM 816 C C . VAL A 1 98 ? 16.018 12.979 7.745 1.0 8.87 ? 90 VAL A C 1 98 . A ATOM 817 O O . VAL A 1 98 ? 16.589 14.049 7.964 1.0 10.53 ? 90 VAL A O 1 98 . A ATOM 818 C CB . VAL A 1 98 ? 17.853 11.241 8.069 1.0 11.5 ? 90 VAL A CB 1 98 . A ATOM 819 C CG1 . VAL A 1 98 ? 17.212 10.718 9.341 1.0 14.08 ? 90 VAL A CG1 1 98 . A ATOM 820 C CG2 . VAL A 1 98 ? 18.692 10.195 7.388 1.0 14.86 ? 90 VAL A CG2 1 98 . A ATOM 821 N N . LEU A 1 99 ? 14.758 12.761 8.037 1.0 9.22 ? 91 LEU A N 1 99 . A ATOM 822 C CA . LEU A 1 99 ? 13.980 13.715 8.837 1.0 9.25 ? 91 LEU A CA 1 99 . A ATOM 823 C C . LEU A 1 99 ? 14.401 13.453 10.282 1.0 9.71 ? 91 LEU A C 1 99 . A ATOM 824 O O . LEU A 1 99 ? 14.209 12.359 10.816 1.0 9.87 ? 91 LEU A O 1 99 . A ATOM 825 C CB . LEU A 1 99 ? 12.490 13.527 8.649 1.0 11.51 ? 91 LEU A CB 1 99 . A ATOM 826 C CG . LEU A 1 99 ? 11.905 14.123 7.397 1.0 13.13 ? 91 LEU A CG 1 99 . A ATOM 827 C CD1 . LEU A 1 99 ? 10.555 13.551 7.232 1.0 16.5 ? 91 LEU A CD1 1 99 . A ATOM 828 C CD2 . LEU A 1 99 ? 11.863 15.662 7.565 1.0 13.84 ? 91 LEU A CD2 1 99 . A ATOM 829 N N . VAL A 1 100 ? 14.903 14.482 10.949 1.0 9.55 ? 92 VAL A N 1 100 . A ATOM 830 C CA . VAL A 1 100 ? 15.364 14.375 12.327 1.0 9.26 ? 92 VAL A CA 1 100 . A ATOM 831 C C . VAL A 1 100 ? 14.491 15.245 13.200 1.0 9.21 ? 92 VAL A C 1 100 . A ATOM 832 O O . VAL A 1 100 ? 14.436 16.465 13.013 1.0 11.21 ? 92 VAL A O 1 100 . A ATOM 833 C CB . VAL A 1 100 ? 16.831 14.833 12.412 1.0 10.89 ? 92 VAL A CB 1 100 . A ATOM 834 C CG1 . VAL A 1 100 ? 17.353 14.745 13.848 1.0 14.02 ? 92 VAL A CG1 1 100 . A ATOM 835 C CG2 . VAL A 1 100 ? 17.735 14.022 11.475 1.0 11.95 ? 92 VAL A CG2 1 100 . A ATOM 836 N N . HIS A 1 101 ? 13.784 14.608 14.114 1.0 9.02 ? 93 HIS A N 1 101 . A ATOM 837 C CA . HIS A 1 101 ? 12.777 15.226 14.997 1.0 8.07 ? 93 HIS A CA 1 101 . A ATOM 838 C C . HIS A 1 101 ? 13.298 15.178 16.402 1.0 9.19 ? 93 HIS A C 1 101 . A ATOM 839 O O . HIS A 1 101 ? 13.416 14.127 17.000 1.0 10.4 ? 93 HIS A O 1 101 . A ATOM 840 C CB . HIS A 1 101 ? 11.480 14.493 14.794 1.0 8.54 ? 93 HIS A CB 1 101 . A ATOM 841 C CG . HIS A 1 101 ? 10.297 14.929 15.557 1.0 8.38 ? 93 HIS A CG 1 101 . A ATOM 842 N ND1 . HIS A 1 101 ? 9.137 14.228 15.425 1.0 11.75 ? 93 HIS A ND1 1 101 . A ATOM 843 C CD2 . HIS A 1 101 ? 10.087 15.908 16.479 1.0 11.66 ? 93 HIS A CD2 1 101 . A ATOM 844 C CE1 . HIS A 1 101 ? 8.230 14.757 16.216 1.0 13.51 ? 93 HIS A CE1 1 101 . A ATOM 845 N NE2 . HIS A 1 101 ? 8.775 15.788 16.855 1.0 13.23 ? 93 HIS A NE2 1 101 . A ATOM 846 N N . VAL A 1 102 ? 13.610 16.350 16.988 1.0 8.55 ? 94 VAL A N 1 102 . A ATOM 847 C CA . VAL A 1 102 ? 14.079 16.454 18.371 1.0 9.19 ? 94 VAL A CA 1 102 . A ATOM 848 C C . VAL A 1 102 ? 13.012 17.035 19.210 1.0 9.02 ? 94 VAL A C 1 102 . A ATOM 849 O O . VAL A 1 102 ? 12.454 18.087 18.902 1.0 10.76 ? 94 VAL A O 1 102 . A ATOM 850 C CB . VAL A 1 102 ? 15.391 17.278 18.445 1.0 10.67 ? 94 VAL A CB 1 102 . A ATOM 851 C CG1 . VAL A 1 102 ? 15.892 17.318 19.841 1.0 13.35 ? 94 VAL A CG1 1 102 . A ATOM 852 C CG2 . VAL A 1 102 ? 16.415 16.687 17.471 1.0 11.19 ? 94 VAL A CG2 1 102 . A ATOM 853 N N . GLN A 1 103 ? 12.701 16.337 20.307 1.0 9.77 ? 95 GLN A N 1 103 . A ATOM 854 C CA . GLN A 1 103 ? 11.718 16.764 21.283 1.0 10.38 ? 95 GLN A CA 1 103 . A ATOM 855 C C . GLN A 1 103 ? 12.389 17.062 22.589 1.0 10.05 ? 95 GLN A C 1 103 . A ATOM 856 O O . GLN A 1 103 ? 13.132 16.237 23.115 1.0 11.34 ? 95 GLN A O 1 103 . A ATOM 857 C CB . GLN A 1 103 ? 10.673 15.664 21.554 1.0 10.27 ? 95 GLN A CB 1 103 . A ATOM 858 C CG . GLN A 1 103 ? 9.817 15.231 20.364 1.0 10.26 ? 95 GLN A CG 1 103 . A ATOM 859 C CD . GLN A 1 103 ? 8.909 14.058 20.629 1.0 9.85 ? 95 GLN A CD 1 103 . A ATOM 860 O OE1 . GLN A 1 103 ? 9.179 13.234 21.515 1.0 11.78 ? 95 GLN A OE1 1 103 . A ATOM 861 N NE2 . GLN A 1 103 ? 7.829 13.944 19.864 1.0 10.38 ? 95 GLN A NE2 1 103 . A ATOM 862 N N . LYS A 1 104 ? 12.092 18.244 23.145 1.0 11.46 ? 96 LYS A N 1 104 . A ATOM 863 C CA . LYS A 1 104 ? 12.643 18.720 24.431 1.0 13.12 ? 96 LYS A CA 1 104 . A ATOM 864 C C . LYS A 1 104 ? 11.542 18.970 25.433 1.0 12.66 ? 96 LYS A C 1 104 . A ATOM 865 O O . LYS A 1 104 ? 10.560 19.627 25.135 1.0 13.08 ? 96 LYS A O 1 104 . A ATOM 866 C CB . LYS A 1 104 ? 13.411 20.031 24.223 1.0 14.15 ? 96 LYS A CB 1 104 . A ATOM 867 C CG . LYS A 1 104 ? 14.453 20.008 23.182 1.0 17.8 ? 96 LYS A CG 1 104 . A ATOM 868 C CD . LYS A 1 104 ? 15.648 19.199 23.521 1.0 19.29 ? 96 LYS A CD 1 104 . A ATOM 869 C CE . LYS A 1 104 ? 16.863 19.453 22.623 1.0 19.9 ? 96 LYS A CE 1 104 . A ATOM 870 N NZ . LYS A 1 104 ? 18.046 18.643 22.945 1.0 21.99 ? 96 LYS A NZ 1 104 . A ATOM 871 N N . TRP A 1 105 ? 11.731 18.445 26.650 1.0 13.48 ? 97 TRP A N 1 105 . A ATOM 872 C CA . TRP A 1 105 ? 10.747 18.665 27.728 1.0 14.51 ? 97 TRP A CA 1 105 . A ATOM 873 C C . TRP A 1 105 ? 11.409 18.349 29.036 1.0 15.77 ? 97 TRP A C 1 105 . A ATOM 874 O O . TRP A 1 105 ? 12.211 17.445 29.128 1.0 16.76 ? 97 TRP A O 1 105 . A ATOM 875 C CB . TRP A 1 105 ? 9.490 17.787 27.539 1.0 14.41 ? 97 TRP A CB 1 105 . A ATOM 876 C CG . TRP A 1 105 ? 9.658 16.361 27.936 1.0 14.91 ? 97 TRP A CG 1 105 . A ATOM 877 C CD1 . TRP A 1 105 ? 9.149 15.763 29.032 1.0 14.27 ? 97 TRP A CD1 1 105 . A ATOM 878 C CD2 . TRP A 1 105 ? 10.447 15.379 27.279 1.0 13.56 ? 97 TRP A CD2 1 105 . A ATOM 879 N NE1 . TRP A 1 105 ? 9.519 14.465 29.093 1.0 14.22 ? 97 TRP A NE1 1 105 . A ATOM 880 C CE2 . TRP A 1 105 ? 10.340 14.197 28.027 1.0 13.97 ? 97 TRP A CE2 1 105 . A ATOM 881 C CE3 . TRP A 1 105 ? 11.175 15.358 26.104 1.0 13.79 ? 97 TRP A CE3 1 105 . A ATOM 882 C CZ2 . TRP A 1 105 ? 10.994 13.013 27.657 1.0 14.22 ? 97 TRP A CZ2 1 105 . A ATOM 883 C CZ3 . TRP A 1 105 ? 11.819 14.181 25.738 1.0 11.88 ? 97 TRP A CZ3 1 105 . A ATOM 884 C CH2 . TRP A 1 105 ? 11.711 13.026 26.513 1.0 13.84 ? 97 TRP A CH2 1 105 . A ATOM 885 N N . ASP A 1 106 ? 11.130 19.154 30.058 1.0 18.37 ? 98 ASP A N 1 106 . A ATOM 886 C CA . ASP A 1 106 ? 11.592 18.804 31.434 1.0 20.86 ? 98 ASP A CA 1 106 . A ATOM 887 C C . ASP A 1 106 ? 13.092 18.567 31.522 1.0 20.52 ? 98 ASP A C 1 106 . A ATOM 888 O O . ASP A 1 106 ? 13.575 17.703 32.280 1.0 23.26 ? 98 ASP A O 1 106 . A ATOM 889 C CB . ASP A 1 106 ? 10.840 17.563 31.896 1.0 22.87 ? 98 ASP A CB 1 106 . A ATOM 890 C CG . ASP A 1 106 ? 9.773 17.880 32.853 1.0 30.14 ? 98 ASP A CG 1 106 . A ATOM 891 O OD1 . ASP A 1 106 ? 10.163 18.130 34.028 1.0 35.16 ? 98 ASP A OD1 1 106 . A ATOM 892 O OD2 . ASP A 1 106 ? 8.581 17.863 32.429 1.0 37.63 ? 98 ASP A OD2 1 106 . A ATOM 893 N N . GLY A 1 107 ? 13.864 19.313 30.746 1.0 19.97 ? 99 GLY A N 1 107 . A ATOM 894 C CA . GLY A 1 107 ? 15.292 19.082 30.701 1.0 20.72 ? 99 GLY A CA 1 107 . A ATOM 895 C C . GLY A 1 107 ? 15.788 17.825 30.024 1.0 20.14 ? 99 GLY A C 1 107 . A ATOM 896 O O . GLY A 1 107 ? 16.987 17.581 30.013 1.0 22.96 ? 99 GLY A O 1 107 . A ATOM 897 N N . LYS A 1 108 ? 14.884 17.072 29.389 1.0 17.66 ? 100 LYS A N 1 108 . A ATOM 898 C CA . LYS A 1 108 ? 15.160 15.808 28.680 1.0 16.27 ? 100 LYS A CA 1 108 . A ATOM 899 C C . LYS A 1 108 ? 15.085 16.056 27.175 1.0 14.11 ? 100 LYS A C 1 108 . A ATOM 900 O O . LYS A 1 108 ? 14.541 17.059 26.737 1.0 13.56 ? 100 LYS A O 1 108 . A ATOM 901 C CB . LYS A 1 108 ? 14.104 14.774 29.083 1.0 16.38 ? 100 LYS A CB 1 108 . A ATOM 902 C CG . LYS A 1 108 ? 14.098 14.453 30.591 1.0 21.53 ? 100 LYS A CG 1 108 . A ATOM 903 C CD . LYS A 1 108 ? 12.903 13.570 30.959 1.0 24.79 ? 100 LYS A CD 1 108 . A ATOM 904 C CE . LYS A 1 108 ? 12.641 13.444 32.459 1.0 28.25 ? 100 LYS A CE 1 108 . A ATOM 905 N NZ . LYS A 1 108 ? 11.237 13.007 32.696 1.0 34.69 ? 100 LYS A NZ 1 108 . A ATOM 906 N N . SER A 1 109 ? 15.611 15.119 26.402 1.0 13.56 ? 101 SER A N 1 109 . A ATOM 907 C CA . SER A 1 109 ? 15.546 15.217 24.948 1.0 13.73 ? 101 SER A CA 1 109 . A ATOM 908 C C . SER A 1 109 ? 15.461 13.818 24.374 1.0 11.67 ? 101 SER A C 1 109 . A ATOM 909 O O . SER A 1 109 ? 16.096 12.920 24.864 1.0 13.04 ? 101 SER A O 1 109 . A ATOM 910 C CB . SER A 1 109 ? 16.831 15.893 24.452 1.0 15.77 ? 101 SER A CB 1 109 . A ATOM 911 O OG . SER A 1 109 ? 16.902 16.052 23.072 1.0 17.66 ? 101 SER A OG 1 109 . A ATOM 912 N N . THR A 1 110 ? 14.705 13.662 23.294 1.0 10.41 ? 102 THR A N 1 110 . A ATOM 913 C CA . THR A 1 110 ? 14.654 12.423 22.527 1.0 9.08 ? 102 THR A CA 1 110 . A ATOM 914 C C . THR A 1 110 ? 14.639 12.802 21.051 1.0 9.78 ? 102 THR A C 1 110 . A ATOM 915 O O . THR A 1 110 ? 14.140 13.869 20.685 1.0 10.72 ? 102 THR A O 1 110 . A ATOM 916 C CB . THR A 1 110 ? 13.417 11.590 22.919 1.0 10.49 ? 102 THR A CB 1 110 . A ATOM 917 O OG1 . THR A 1 110 ? 13.512 10.288 22.301 1.0 11.22 ? 102 THR A OG1 1 110 . A ATOM 918 C CG2 . THR A 1 110 ? 12.057 12.231 22.567 1.0 10.16 ? 102 THR A CG2 1 110 . A ATOM 919 N N . THR A 1 111 ? 15.175 11.902 20.226 1.0 9.77 ? 103 THR A N 1 111 . A ATOM 920 C CA . THR A 1 111 ? 15.286 12.140 18.799 1.0 10.26 ? 103 THR A CA 1 111 . A ATOM 921 C C . THR A 1 111 ? 14.608 10.970 18.059 1.0 10.2 ? 103 THR A C 1 111 . A ATOM 922 O O . THR A 1 111 ? 14.892 9.806 18.345 1.0 12.3 ? 103 THR A O 1 111 . A ATOM 923 C CB . THR A 1 111 ? 16.765 12.284 18.369 1.0 11.57 ? 103 THR A CB 1 111 . A ATOM 924 O OG1 . THR A 1 111 ? 17.339 13.405 19.047 1.0 15.15 ? 103 THR A OG1 1 111 . A ATOM 925 C CG2 . THR A 1 111 ? 16.856 12.527 16.885 1.0 13.08 ? 103 THR A CG2 1 111 . A ATOM 926 N N . ILE A 1 112 ? 13.754 11.333 17.117 1.0 9.52 ? 104 ILE A N 1 112 . A ATOM 927 C CA . ILE A 1 112 ? 13.072 10.417 16.220 1.0 10.89 ? 104 ILE A CA 1 112 . A ATOM 928 C C . ILE A 1 112 ? 13.578 10.708 14.832 1.0 9.97 ? 104 ILE A C 1 112 . A ATOM 929 O O . ILE A 1 112 ? 13.448 11.829 14.349 1.0 9.87 ? 104 ILE A O 1 112 . A ATOM 930 C CB . ILE A 1 112 ? 11.537 10.617 16.306 1.0 11.48 ? 104 ILE A CB 1 112 . A ATOM 931 C CG1 . ILE A 1 112 ? 11.037 10.328 17.731 1.0 11.24 ? 104 ILE A CG1 1 112 . A ATOM 932 C CG2 . ILE A 1 112 ? 10.860 9.681 15.308 1.0 12.78 ? 104 ILE A CG2 1 112 . A ATOM 933 C CD1 . ILE A 1 112 ? 9.621 10.774 17.930 1.0 16.03 ? 104 ILE A CD1 1 112 . A ATOM 934 N N . LYS A 1 113 ? 14.149 9.714 14.178 1.0 9.37 ? 105 LYS A N 1 113 . A ATOM 935 C CA . LYS A 1 113 ? 14.609 9.804 12.815 1.0 9.66 ? 105 LYS A CA 1 113 . A ATOM 936 C C . LYS A 1 113 ? 13.763 9.001 11.897 1.0 9.35 ? 105 LYS A C 1 113 . A ATOM 937 O O . LYS A 1 113 ? 13.343 7.888 12.257 1.0 11.11 ? 105 LYS A O 1 113 . A ATOM 938 C CB . LYS A 1 113 ? 16.066 9.306 12.726 1.0 10.55 ? 105 LYS A CB 1 113 . A ATOM 939 C CG . LYS A 1 113 ? 17.084 10.219 13.470 1.0 14.19 ? 105 LYS A CG 1 113 . A ATOM 940 C CD . LYS A 1 113 ? 18.531 9.781 13.314 1.0 18.35 ? 105 LYS A CD 1 113 . A ATOM 941 C CE . LYS A 1 113 ? 19.472 10.821 14.027 1.0 20.88 ? 105 LYS A CE 1 113 . A ATOM 942 N NZ . LYS A 1 113 ? 20.941 10.563 13.931 1.0 25.97 ? 105 LYS A NZ 1 113 . A ATOM 943 N N . ARG A 1 114 ? 13.418 9.547 10.732 1.0 9.33 ? 106 ARG A N 1 114 . A ATOM 944 C CA . ARG A 1 114 ? 12.612 8.870 9.747 1.0 9.43 ? 106 ARG A CA 1 114 . A ATOM 945 C C . ARG A 1 114 ? 13.461 8.858 8.458 1.0 9.69 ? 106 ARG A C 1 114 . A ATOM 946 O O . ARG A 1 114 ? 13.914 9.894 7.999 1.0 10.33 ? 106 ARG A O 1 114 . A ATOM 947 C CB . ARG A 1 114 ? 11.286 9.628 9.540 1.0 9.59 ? 106 ARG A CB 1 114 . A ATOM 948 C CG . ARG A 1 114 ? 10.381 9.595 10.802 1.0 11.84 ? 106 ARG A CG 1 114 . A ATOM 949 C CD . ARG A 1 114 ? 9.154 10.542 10.629 1.0 14.84 ? 106 ARG A CD 1 114 . A ATOM 950 N NE . ARG A 1 114 ? 8.127 10.473 11.714 1.0 17.76 ? 106 ARG A NE 1 114 . A ATOM 951 C CZ . ARG A 1 114 ? 8.139 11.262 12.788 1.0 16.06 ? 106 ARG A CZ 1 114 . A ATOM 952 N NH1 . ARG A 1 114 ? 9.126 12.113 13.027 1.0 15.51 ? 106 ARG A NH1 1 114 . A ATOM 953 N NH2 . ARG A 1 114 ? 7.183 11.130 13.689 1.0 20.48 ? 106 ARG A NH2 1 114 . A ATOM 954 N N . LYS A 1 115 ? 13.592 7.679 7.846 1.0 9.84 ? 107 LYS A N 1 115 . A ATOM 955 C CA . LYS A 1 115 ? 14.414 7.504 6.664 1.0 11.43 ? 107 LYS A CA 1 115 . A ATOM 956 C C . LYS A 1 115 ? 13.790 6.472 5.720 1.0 12.09 ? 107 LYS A C 1 115 . A ATOM 957 O O . LYS A 1 115 ? 13.271 5.454 6.151 1.0 12.79 ? 107 LYS A O 1 115 . A ATOM 958 C CB . LYS A 1 115 ? 15.800 7.011 7.071 1.0 13.51 ? 107 LYS A CB 1 115 . A ATOM 959 C CG . LYS A 1 115 ? 16.870 7.105 5.956 1.0 16.52 ? 107 LYS A CG 1 115 . A ATOM 960 C CD . LYS A 1 115 ? 18.247 6.659 6.387 1.0 18.8 ? 107 LYS A CD 1 115 . A ATOM 961 C CE . LYS A 1 115 ? 19.322 7.172 5.392 1.0 22.67 ? 107 LYS A CE 1 115 . A ATOM 962 N NZ . LYS A 1 115 ? 20.665 6.704 5.708 1.0 28.61 ? 107 LYS A NZ 1 115 . A ATOM 963 N N . ARG A 1 116 ? 13.897 6.726 4.424 1.0 10.97 ? 108 ARG A N 1 116 . A ATOM 964 C CA . ARG A 1 116 ? 13.480 5.742 3.446 1.0 10.43 ? 108 ARG A CA 1 116 . A ATOM 965 C C . ARG A 1 116 ? 14.592 4.695 3.285 1.0 10.69 ? 108 ARG A C 1 116 . A ATOM 966 O O . ARG A 1 116 ? 15.748 5.037 3.084 1.0 12.95 ? 108 ARG A O 1 116 . A ATOM 967 C CB . ARG A 1 116 ? 13.180 6.421 2.105 1.0 11.35 ? 108 ARG A CB 1 116 . A ATOM 968 C CG . ARG A 1 116 ? 11.835 7.076 2.086 1.0 13.56 ? 108 ARG A CG 1 116 . A ATOM 969 C CD . ARG A 1 116 ? 10.600 6.132 2.156 1.0 15.61 ? 108 ARG A CD 1 116 . A ATOM 970 N NE . ARG A 1 116 ? 10.718 5.044 1.158 1.0 17.96 ? 108 ARG A NE 1 116 . A ATOM 971 C CZ . ARG A 1 116 ? 10.470 5.179 -0.138 1.0 17.53 ? 108 ARG A CZ 1 116 . A ATOM 972 N NH1 . ARG A 1 116 ? 9.914 6.276 -0.607 1.0 16.98 ? 108 ARG A NH1 1 116 . A ATOM 973 N NH2 . ARG A 1 116 ? 10.680 4.183 -0.979 1.0 21.52 ? 108 ARG A NH2 1 116 . A ATOM 974 N N . GLU A 1 117 ? 14.195 3.435 3.295 1.0 11.35 ? 109 GLU A N 1 117 . A ATOM 975 C CA . GLU A 1 117 ? 15.095 2.313 3.064 1.0 12.3 ? 109 GLU A CA 1 117 . A ATOM 976 C C . GLU A 1 117 ? 14.349 1.353 2.213 1.0 10.88 ? 109 GLU A C 1 117 . A ATOM 977 O O . GLU A 1 117 ? 13.374 0.781 2.658 1.0 11.24 ? 109 GLU A O 1 117 . A ATOM 978 C CB . GLU A 1 117 ? 15.454 1.610 4.382 1.0 15.35 ? 109 GLU A CB 1 117 . A ATOM 979 C CG . GLU A 1 117 ? 16.132 2.475 5.396 1.0 20.36 ? 109 GLU A CG 1 117 . A ATOM 980 C CD . GLU A 1 117 ? 17.554 2.702 5.075 1.0 24.23 ? 109 GLU A CD 1 117 . A ATOM 981 O OE1 . GLU A 1 117 ? 18.226 3.427 5.846 1.0 29.11 ? 109 GLU A OE1 1 117 . A ATOM 982 O OE2 . GLU A 1 117 ? 18.033 2.143 4.054 1.0 30.27 ? 109 GLU A OE2 1 117 . A ATOM 983 N N . ASP A 1 118 ? 14.775 1.134 0.982 1.0 11.4 ? 110 ASP A N 1 118 . A ATOM 984 C CA . ASP A 1 118 ? 14.025 0.333 0.031 1.0 11.85 ? 110 ASP A CA 1 118 . A ATOM 985 C C . ASP A 1 118 ? 12.626 0.901 -0.053 1.0 10.96 ? 110 ASP A C 1 118 . A ATOM 986 O O . ASP A 1 118 ? 12.458 2.103 -0.161 1.0 11.98 ? 110 ASP A O 1 118 . A ATOM 987 C CB . ASP A 1 118 ? 14.156 -1.174 0.348 1.0 12.66 ? 110 ASP A CB 1 118 . A ATOM 988 C CG . ASP A 1 118 ? 15.592 -1.666 0.282 1.0 16.74 ? 110 ASP A CG 1 118 . A ATOM 989 O OD1 . ASP A 1 118 ? 16.344 -1.172 -0.571 1.0 17.69 ? 110 ASP A OD1 1 118 . A ATOM 990 O OD2 . ASP A 1 118 ? 15.955 -2.535 1.102 1.0 21.71 ? 110 ASP A OD2 1 118 . A ATOM 991 N N . ASP A 1 119 ? 11.568 0.078 -0.025 1.0 11.42 ? 111 ASP A N 1 119 . A ATOM 992 C CA . ASP A 1 119 ? 10.201 0.540 -0.089 1.0 11.18 ? 111 ASP A CA 1 119 . A ATOM 993 C C . ASP A 1 119 ? 9.594 0.868 1.281 1.0 10.94 ? 111 ASP A C 1 119 . A ATOM 994 O O . ASP A 1 119 ? 8.428 1.169 1.359 1.0 13.22 ? 111 ASP A O 1 119 . A ATOM 995 C CB . ASP A 1 119 ? 9.300 -0.489 -0.817 1.0 11.88 ? 111 ASP A CB 1 119 . A ATOM 996 C CG . ASP A 1 119 ? 9.634 -0.584 -2.283 1.0 13.73 ? 111 ASP A CG 1 119 . A ATOM 997 O OD1 . ASP A 1 119 ? 9.849 0.478 -2.893 1.0 15.76 ? 111 ASP A OD1 1 119 . A ATOM 998 O OD2 . ASP A 1 119 ? 9.692 -1.705 -2.816 1.0 16.46 ? 111 ASP A OD2 1 119 . A ATOM 999 N N . LYS A 1 120 ? 10.457 0.874 2.318 1.0 11.69 ? 112 LYS A N 1 120 . A ATOM 1000 C CA A LYS A 1 120 ? 10.043 1.069 3.715 0.5 11.53 ? 112 LYS A CA 1 120 . A ATOM 1001 C CA B LYS A 1 120 ? 9.929 1.119 3.649 0.5 11.52 ? 112 LYS A CA 1 120 . A ATOM 1002 C C . LYS A 1 120 ? 10.332 2.467 4.175 1.0 10.86 ? 112 LYS A C 1 120 . A ATOM 1003 O O . LYS A 1 120 ? 11.163 3.143 3.621 1.0 11.84 ? 112 LYS A O 1 120 . A ATOM 1004 C CB A LYS A 1 120 ? 10.832 0.118 4.630 0.5 11.52 ? 112 LYS A CB 1 120 . A ATOM 1005 C CB B LYS A 1 120 ? 10.403 -0.007 4.550 0.5 12.25 ? 112 LYS A CB 1 120 . A ATOM 1006 C CG A LYS A 1 120 ? 10.562 -1.387 4.425 0.5 13.14 ? 112 LYS A CG 1 120 . A ATOM 1007 C CG B LYS A 1 120 ? 10.060 -1.380 3.995 0.5 13.58 ? 112 LYS A CG 1 120 . A ATOM 1008 C CD A LYS A 1 120 ? 9.081 -1.741 4.359 0.5 17.07 ? 112 LYS A CD 1 120 . A ATOM 1009 C CD B LYS A 1 120 ? 10.460 -2.488 4.924 0.5 18.53 ? 112 LYS A CD 1 120 . A ATOM 1010 C CE A LYS A 1 120 ? 8.892 -3.235 4.622 0.5 19.47 ? 112 LYS A CE 1 120 . A ATOM 1011 C CE B LYS A 1 120 ? 10.170 -3.862 4.336 0.5 20.43 ? 112 LYS A CE 1 120 . A ATOM 1012 N NZ A LYS A 1 120 ? 7.526 -3.675 4.388 0.5 20.22 ? 112 LYS A NZ 1 120 . A ATOM 1013 N NZ B LYS A 1 120 ? 10.305 -4.937 5.373 0.5 22.95 ? 112 LYS A NZ 1 120 . A ATOM 1014 N N . LEU A 1 121 ? 9.619 2.854 5.218 1.0 9.26 ? 113 LEU A N 1 121 . A ATOM 1015 C CA A LEU A 1 121 ? 9.949 4.059 5.985 0.5 9.19 ? 113 LEU A CA 1 121 . A ATOM 1016 C CA B LEU A 1 121 ? 9.937 4.037 5.996 0.5 9.78 ? 113 LEU A CA 1 121 . A ATOM 1017 C C . LEU A 1 121 ? 10.365 3.504 7.371 1.0 9.36 ? 113 LEU A C 1 121 . A ATOM 1018 O O . LEU A 1 121 ? 9.558 2.920 8.072 1.0 11.23 ? 113 LEU A O 1 121 . A ATOM 1019 C CB A LEU A 1 121 ? 8.776 5.057 5.996 0.5 10.41 ? 113 LEU A CB 1 121 . A ATOM 1020 C CB B LEU A 1 121 ? 8.713 4.929 6.078 0.5 11.09 ? 113 LEU A CB 1 121 . A ATOM 1021 C CG A LEU A 1 121 ? 9.031 6.495 6.481 0.5 9.35 ? 113 LEU A CG 1 121 . A ATOM 1022 C CG B LEU A 1 121 ? 8.953 6.171 6.906 0.5 12.81 ? 113 LEU A CG 1 121 . A ATOM 1023 C CD1 A LEU A 1 121 ? 7.856 7.376 6.119 0.5 10.07 ? 113 LEU A CD1 1 121 . A ATOM 1024 C CD1 B LEU A 1 121 ? 10.220 6.936 6.328 0.5 13.95 ? 113 LEU A CD1 1 121 . A ATOM 1025 C CD2 A LEU A 1 121 ? 9.271 6.458 7.989 0.5 12.31 ? 113 LEU A CD2 1 121 . A ATOM 1026 C CD2 B LEU A 1 121 ? 7.685 6.982 6.922 0.5 16.96 ? 113 LEU A CD2 1 121 . A ATOM 1027 N N . VAL A 1 122 ? 11.631 3.731 7.722 1.0 9.0 ? 114 VAL A N 1 122 . A ATOM 1028 C CA . VAL A 1 122 ? 12.232 3.232 8.961 1.0 10.12 ? 114 VAL A CA 1 122 . A ATOM 1029 C C . VAL A 1 122 ? 12.292 4.389 9.929 1.0 10.02 ? 114 VAL A C 1 122 . A ATOM 1030 O O . VAL A 1 122 ? 12.722 5.505 9.589 1.0 11.11 ? 114 VAL A O 1 122 . A ATOM 1031 C CB . VAL A 1 122 ? 13.576 2.565 8.719 1.0 10.74 ? 114 VAL A CB 1 122 . A ATOM 1032 C CG1 . VAL A 1 122 ? 14.151 2.027 10.042 1.0 13.12 ? 114 VAL A CG1 1 122 . A ATOM 1033 C CG2 . VAL A 1 122 ? 13.431 1.431 7.695 1.0 13.44 ? 114 VAL A CG2 1 122 . A ATOM 1034 N N . VAL A 1 123 ? 11.830 4.122 11.145 1.0 10.05 ? 115 VAL A N 1 123 . A ATOM 1035 C CA . VAL A 1 123 ? 11.769 5.108 12.216 1.0 9.91 ? 115 VAL A CA 1 123 . A ATOM 1036 C C . VAL A 1 123 ? 12.690 4.629 13.335 1.0 10.12 ? 115 VAL A C 1 123 . A ATOM 1037 O O . VAL A 1 123 ? 12.542 3.530 13.846 1.0 13.28 ? 115 VAL A O 1 123 . A ATOM 1038 C CB . VAL A 1 123 ? 10.316 5.346 12.685 1.0 11.13 ? 115 VAL A CB 1 123 . A ATOM 1039 C CG1 . VAL A 1 123 ? 10.211 6.479 13.734 1.0 14.22 ? 115 VAL A CG1 1 123 . A ATOM 1040 C CG2 . VAL A 1 123 ? 9.438 5.695 11.506 1.0 13.58 ? 115 VAL A CG2 1 123 . A ATOM 1041 N N A GLU A 1 124 ? 13.645 5.459 13.700 0.5 9.09 ? 116 GLU A N 1 124 . A ATOM 1042 N N B GLU A 1 124 ? 13.619 5.466 13.748 0.5 9.98 ? 116 GLU A N 1 124 . A ATOM 1043 C CA A GLU A 1 124 ? 14.565 5.202 14.815 0.5 8.94 ? 116 GLU A CA 1 124 . A ATOM 1044 C CA B GLU A 1 124 ? 14.539 5.151 14.849 0.5 10.63 ? 116 GLU A CA 1 124 . A ATOM 1045 C C A GLU A 1 124 ? 14.167 6.201 15.918 0.5 9.28 ? 116 GLU A C 1 124 . A ATOM 1046 C C B GLU A 1 124 ? 14.364 6.159 15.950 0.5 10.02 ? 116 GLU A C 1 124 . A ATOM 1047 O O A GLU A 1 124 ? 13.976 7.388 15.667 0.5 9.49 ? 116 GLU A O 1 124 . A ATOM 1048 O O B GLU A 1 124 ? 14.691 7.330 15.748 0.5 8.42 ? 116 GLU A O 1 124 . A ATOM 1049 C CB A GLU A 1 124 ? 16.020 5.321 14.372 0.5 10.7 ? 116 GLU A CB 1 124 . A ATOM 1050 C CB B GLU A 1 124 ? 15.967 5.245 14.417 0.5 12.57 ? 116 GLU A CB 1 124 . A ATOM 1051 C CG A GLU A 1 124 ? 17.059 4.986 15.431 0.5 11.21 ? 116 GLU A CG 1 124 . A ATOM 1052 C CG B GLU A 1 124 ? 16.569 4.042 13.908 0.5 16.34 ? 116 GLU A CG 1 124 . A ATOM 1053 C CD A GLU A 1 124 ? 18.467 5.601 15.167 0.5 14.0 ? 116 GLU A CD 1 124 . A ATOM 1054 C CD B GLU A 1 124 ? 18.066 4.111 14.055 0.5 19.18 ? 116 GLU A CD 1 124 . A ATOM 1055 O OE1 A GLU A 1 124 ? 18.624 6.844 15.197 0.5 17.67 ? 116 GLU A OE1 1 124 . A ATOM 1056 O OE1 B GLU A 1 124 ? 18.599 5.125 14.567 0.5 20.86 ? 116 GLU A OE1 1 124 . A ATOM 1057 O OE2 A GLU A 1 124 ? 19.433 4.837 14.957 0.5 13.83 ? 116 GLU A OE2 1 124 . A ATOM 1058 O OE2 B GLU A 1 124 ? 18.710 3.146 13.682 0.5 20.25 ? 116 GLU A OE2 1 124 . A ATOM 1059 N N . CYS A 1 125 ? 13.918 5.683 17.105 1.0 9.72 ? 117 CYS A N 1 125 . A ATOM 1060 C CA . CYS A 1 125 ? 13.614 6.492 18.268 1.0 10.54 ? 117 CYS A CA 1 125 . A ATOM 1061 C C . CYS A 1 125 ? 14.704 6.259 19.277 1.0 10.71 ? 117 CYS A C 1 125 . A ATOM 1062 O O . CYS A 1 125 ? 14.942 5.142 19.709 1.0 11.16 ? 117 CYS A O 1 125 . A ATOM 1063 C CB . CYS A 1 125 ? 12.237 6.040 18.873 1.0 12.06 ? 117 CYS A CB 1 125 . A ATOM 1064 S SG . CYS A 1 125 ? 10.872 6.014 17.707 1.0 15.75 ? 117 CYS A SG 1 125 . A ATOM 1065 N N . VAL A 1 126 ? 15.311 7.345 19.710 1.0 10.36 ? 118 VAL A N 1 126 . A ATOM 1066 C CA . VAL A 1 126 ? 16.474 7.278 20.549 1.0 10.36 ? 118 VAL A CA 1 126 . A ATOM 1067 C C . VAL A 1 126 ? 16.280 8.127 21.813 1.0 10.98 ? 118 VAL A C 1 126 . A ATOM 1068 O O . VAL A 1 126 ? 15.929 9.317 21.738 1.0 11.54 ? 118 VAL A O 1 126 . A ATOM 1069 C CB . VAL A 1 126 ? 17.800 7.751 19.849 1.0 12.12 ? 118 VAL A CB 1 126 . A ATOM 1070 C CG1 . VAL A 1 126 ? 18.888 7.839 20.794 1.0 15.73 ? 118 VAL A CG1 1 126 . A ATOM 1071 C CG2 . VAL A 1 126 ? 18.182 6.871 18.725 1.0 16.34 ? 118 VAL A CG2 1 126 . A ATOM 1072 N N . MET A 1 127 ? 16.519 7.498 22.952 1.0 11.35 ? 119 MET A N 1 127 . A ATOM 1073 C CA A MET A 1 127 ? 16.561 8.219 24.217 0.5 12.68 ? 119 MET A CA 1 127 . A ATOM 1074 C CA B MET A 1 127 ? 16.487 8.175 24.259 0.5 12.57 ? 119 MET A CA 1 127 . A ATOM 1075 C C . MET A 1 127 ? 17.751 7.650 24.955 1.0 13.24 ? 119 MET A C 1 127 . A ATOM 1076 O O . MET A 1 127 ? 17.795 6.502 25.349 1.0 12.56 ? 119 MET A O 1 127 . A ATOM 1077 C CB A MET A 1 127 ? 15.257 8.032 24.983 0.5 12.55 ? 119 MET A CB 1 127 . A ATOM 1078 C CB B MET A 1 127 ? 15.172 7.788 24.995 0.5 12.4 ? 119 MET A CB 1 127 . A ATOM 1079 C CG A MET A 1 127 ? 15.296 8.500 26.427 0.5 14.81 ? 119 MET A CG 1 127 . A ATOM 1080 C CG B MET A 1 127 ? 14.862 8.498 26.328 0.5 13.24 ? 119 MET A CG 1 127 . A ATOM 1081 S SD A MET A 1 127 ? 14.360 10.003 26.582 0.5 16.05 ? 119 MET A SD 1 127 . A ATOM 1082 S SD B MET A 1 127 ? 15.103 10.279 26.176 0.5 12.07 ? 119 MET A SD 1 127 . A ATOM 1083 C CE A MET A 1 127 ? 15.338 10.869 27.839 0.5 15.38 ? 119 MET A CE 1 127 . A ATOM 1084 C CE B MET A 1 127 ? 14.629 10.798 27.892 0.5 12.2 ? 119 MET A CE 1 127 . A ATOM 1085 N N . LYS A 1 128 ? 18.737 8.516 25.088 1.0 15.78 ? 120 LYS A N 1 128 . A ATOM 1086 C CA . LYS A 1 128 ? 19.979 8.191 25.692 1.0 18.12 ? 120 LYS A CA 1 128 . A ATOM 1087 C C . LYS A 1 128 ? 20.554 6.986 24.930 1.0 16.34 ? 120 LYS A C 1 128 . A ATOM 1088 O O . LYS A 1 128 ? 20.728 7.001 23.701 1.0 18.09 ? 120 LYS A O 1 128 . A ATOM 1089 C CB . LYS A 1 128 ? 19.794 8.005 27.214 1.0 17.44 ? 120 LYS A CB 1 128 . A ATOM 1090 C CG . LYS A 1 128 ? 19.443 9.318 27.926 1.0 22.82 ? 120 LYS A CG 1 128 . A ATOM 1091 C CD . LYS A 1 128 ? 18.593 9.124 29.160 1.0 27.51 ? 120 LYS A CD 1 128 . A ATOM 1092 C CE . LYS A 1 128 ? 19.329 8.414 30.270 1.0 32.21 ? 120 LYS A CE 1 128 . A ATOM 1093 N NZ . LYS A 1 128 ? 18.361 7.996 31.345 1.0 35.26 ? 120 LYS A NZ 1 128 . A ATOM 1094 N N . GLY A 1 129 ? 20.829 5.908 25.629 1.0 14.75 ? 121 GLY A N 1 129 . A ATOM 1095 C CA . GLY A 1 129 ? 21.447 4.748 24.978 1.0 14.33 ? 121 GLY A CA 1 129 . A ATOM 1096 C C . GLY A 1 129 ? 20.447 3.761 24.475 1.0 13.23 ? 121 GLY A C 1 129 . A ATOM 1097 O O . GLY A 1 129 ? 20.805 2.701 24.020 1.0 13.79 ? 121 GLY A O 1 129 . A ATOM 1098 N N . VAL A 1 130 ? 19.155 4.079 24.577 1.0 12.36 ? 122 VAL A N 1 130 . A ATOM 1099 C CA . VAL A 1 130 ? 18.103 3.166 24.134 1.0 10.74 ? 122 VAL A CA 1 130 . A ATOM 1100 C C . VAL A 1 130 ? 17.555 3.578 22.803 1.0 12.28 ? 122 VAL A C 1 130 . A ATOM 1101 O O . VAL A 1 130 ? 17.098 4.721 22.627 1.0 13.43 ? 122 VAL A O 1 130 . A ATOM 1102 C CB . VAL A 1 130 ? 16.988 3.053 25.163 1.0 11.46 ? 122 VAL A CB 1 130 . A ATOM 1103 C CG1 . VAL A 1 130 ? 15.870 2.112 24.689 1.0 13.8 ? 122 VAL A CG1 1 130 . A ATOM 1104 C CG2 . VAL A 1 130 ? 17.538 2.577 26.520 1.0 13.35 ? 122 VAL A CG2 1 130 . A ATOM 1105 N N . THR A 1 131 ? 17.568 2.661 21.850 1.0 11.41 ? 123 THR A N 1 131 . A ATOM 1106 C CA . THR A 1 131 ? 17.057 2.868 20.520 1.0 12.72 ? 123 THR A CA 1 131 . A ATOM 1107 C C . THR A 1 131 ? 15.914 1.872 20.255 1.0 11.69 ? 123 THR A C 1 131 . A ATOM 1108 O O . THR A 1 131 ? 16.045 0.646 20.534 1.0 16.03 ? 123 THR A O 1 131 . A ATOM 1109 C CB . THR A 1 131 ? 18.131 2.668 19.473 1.0 13.62 ? 123 THR A CB 1 131 . A ATOM 1110 O OG1 . THR A 1 131 ? 19.202 3.535 19.781 1.0 17.23 ? 123 THR A OG1 1 131 . A ATOM 1111 C CG2 . THR A 1 131 ? 17.623 2.925 18.046 1.0 16.59 ? 123 THR A CG2 1 131 . A ATOM 1112 N N . SER A 1 132 ? 14.871 2.326 19.640 1.0 10.48 ? 124 SER A N 1 132 . A ATOM 1113 C CA . SER A 1 132 ? 13.826 1.491 19.093 1.0 10.04 ? 124 SER A CA 1 132 . A ATOM 1114 C C . SER A 1 132 ? 13.687 1.727 17.616 1.0 11.1 ? 124 SER A C 1 132 . A ATOM 1115 O O . SER A 1 132 ? 13.750 2.853 17.160 1.0 12.6 ? 124 SER A O 1 132 . A ATOM 1116 C CB . SER A 1 132 ? 12.468 1.779 19.758 1.0 10.85 ? 124 SER A CB 1 132 . A ATOM 1117 O OG . SER A 1 132 ? 11.375 1.187 19.103 1.0 12.01 ? 124 SER A OG 1 132 . A ATOM 1118 N N . THR A 1 133 ? 13.494 0.657 16.848 1.0 9.73 ? 125 THR A N 1 133 . A ATOM 1119 C CA . THR A 1 133 ? 13.352 0.725 15.411 1.0 10.88 ? 125 THR A CA 1 133 . A ATOM 1120 C C . THR A 1 133 ? 11.986 0.251 15.017 1.0 10.41 ? 125 THR A C 1 133 . A ATOM 1121 O O . THR A 1 133 ? 11.534 -0.836 15.420 1.0 11.49 ? 125 THR A O 1 133 . A ATOM 1122 C CB . THR A 1 133 ? 14.381 -0.168 14.704 1.0 12.04 ? 125 THR A CB 1 133 . A ATOM 1123 O OG1 . THR A 1 133 ? 15.670 0.297 15.063 1.0 16.37 ? 125 THR A OG1 1 133 . A ATOM 1124 C CG2 . THR A 1 133 ? 14.253 -0.111 13.214 1.0 16.0 ? 125 THR A CG2 1 133 . A ATOM 1125 N N . ARG A 1 134 ? 11.273 1.090 14.293 1.0 10.54 ? 126 ARG A N 1 134 . A ATOM 1126 C CA . ARG A 1 134 ? 9.942 0.792 13.839 1.0 11.41 ? 126 ARG A CA 1 134 . A ATOM 1127 C C . ARG A 1 134 ? 9.922 0.847 12.333 1.0 11.01 ? 126 ARG A C 1 134 . A ATOM 1128 O O . ARG A 1 134 ? 10.499 1.728 11.758 1.0 15.21 ? 126 ARG A O 1 134 . A ATOM 1129 C CB . ARG A 1 134 ? 8.963 1.747 14.458 1.0 12.45 ? 126 ARG A CB 1 134 . A ATOM 1130 C CG . ARG A 1 134 ? 8.781 1.420 15.960 1.0 17.05 ? 126 ARG A CG 1 134 . A ATOM 1131 C CD . ARG A 1 134 ? 8.161 2.465 16.734 1.0 19.63 ? 126 ARG A CD 1 134 . A ATOM 1132 N NE . ARG A 1 134 ? 6.733 2.681 16.577 1.0 20.24 ? 126 ARG A NE 1 134 . A ATOM 1133 C CZ . ARG A 1 134 ? 5.746 2.055 17.220 1.0 18.1 ? 126 ARG A CZ 1 134 . A ATOM 1134 N NH1 . ARG A 1 134 ? 5.932 0.901 17.837 1.0 18.51 ? 126 ARG A NH1 1 134 . A ATOM 1135 N NH2 . ARG A 1 134 ? 4.509 2.482 17.049 1.0 19.96 ? 126 ARG A NH2 1 134 . A ATOM 1136 N N . VAL A 1 135 ? 9.227 -0.074 11.687 1.0 10.65 ? 127 VAL A N 1 135 . A ATOM 1137 C CA . VAL A 1 135 ? 9.316 -0.164 10.251 1.0 10.49 ? 127 VAL A CA 1 135 . A ATOM 1138 C C . VAL A 1 135 ? 7.893 -0.046 9.734 1.0 9.31 ? 127 VAL A C 1 135 . A ATOM 1139 O O . VAL A 1 135 ? 6.986 -0.770 10.160 1.0 9.95 ? 127 VAL A O 1 135 . A ATOM 1140 C CB . VAL A 1 135 ? 9.875 -1.481 9.760 1.0 11.59 ? 127 VAL A CB 1 135 . A ATOM 1141 C CG1 . VAL A 1 135 ? 9.867 -1.479 8.213 1.0 13.7 ? 127 VAL A CG1 1 135 . A ATOM 1142 C CG2 . VAL A 1 135 ? 11.292 -1.674 10.308 1.0 13.67 ? 127 VAL A CG2 1 135 . A ATOM 1143 N N . TYR A 1 136 ? 7.693 0.931 8.816 1.0 9.25 ? 128 TYR A N 1 136 . A ATOM 1144 C CA . TYR A 1 136 ? 6.451 1.140 8.129 1.0 9.22 ? 128 TYR A CA 1 136 . A ATOM 1145 C C . TYR A 1 136 ? 6.547 0.730 6.676 1.0 8.41 ? 128 TYR A C 1 136 . A ATOM 1146 O O . TYR A 1 136 ? 7.582 0.955 6.058 1.0 10.57 ? 128 TYR A O 1 136 . A ATOM 1147 C CB . TYR A 1 136 ? 6.038 2.636 8.192 1.0 10.18 ? 128 TYR A CB 1 136 . A ATOM 1148 C CG . TYR A 1 136 ? 5.563 3.097 9.572 1.0 9.18 ? 128 TYR A CG 1 136 . A ATOM 1149 C CD1 . TYR A 1 136 ? 6.506 3.374 10.559 1.0 11.4 ? 128 TYR A CD1 1 136 . A ATOM 1150 C CD2 . TYR A 1 136 ? 4.271 3.309 9.836 1.0 9.33 ? 128 TYR A CD2 1 136 . A ATOM 1151 C CE1 . TYR A 1 136 ? 6.077 3.826 11.870 1.0 13.51 ? 128 TYR A CE1 1 136 . A ATOM 1152 C CE2 . TYR A 1 136 ? 3.823 3.744 11.095 1.0 12.42 ? 128 TYR A CE2 1 136 . A ATOM 1153 C CZ . TYR A 1 136 ? 4.739 4.024 12.075 1.0 12.43 ? 128 TYR A CZ 1 136 . A ATOM 1154 O OH . TYR A 1 136 ? 4.173 4.384 13.287 1.0 15.69 ? 128 TYR A OH 1 136 . A ATOM 1155 N N . GLU A 1 137 ? 5.434 0.225 6.160 1.0 9.8 ? 129 GLU A N 1 137 . A ATOM 1156 C CA A GLU A 1 137 ? 5.299 -0.134 4.759 0.5 10.84 ? 129 GLU A CA 1 137 . A ATOM 1157 C CA B GLU A 1 137 ? 5.350 -0.027 4.721 0.5 11.54 ? 129 GLU A CA 1 137 . A ATOM 1158 C C . GLU A 1 137 ? 4.203 0.735 4.152 1.0 10.91 ? 129 GLU A C 1 137 . A ATOM 1159 O O . GLU A 1 137 ? 3.336 1.226 4.855 1.0 10.51 ? 129 GLU A O 1 137 . A ATOM 1160 C CB A GLU A 1 137 ? 5.025 -1.665 4.632 0.5 10.28 ? 129 GLU A CB 1 137 . A ATOM 1161 C CB B GLU A 1 137 ? 5.275 -1.527 4.369 0.5 12.59 ? 129 GLU A CB 1 137 . A ATOM 1162 C CG A GLU A 1 137 ? 6.282 -2.526 4.906 0.5 13.56 ? 129 GLU A CG 1 137 . A ATOM 1163 C CG B GLU A 1 137 ? 3.914 -2.167 4.386 0.5 14.68 ? 129 GLU A CG 1 137 . A ATOM 1164 C CD A GLU A 1 137 ? 5.955 -4.045 4.835 0.5 16.47 ? 129 GLU A CD 1 137 . A ATOM 1165 C CD B GLU A 1 137 ? 4.068 -3.657 4.072 0.5 21.19 ? 129 GLU A CD 1 137 . A ATOM 1166 O OE1 A GLU A 1 137 ? 4.759 -4.403 4.648 0.5 19.18 ? 129 GLU A OE1 1 137 . A ATOM 1167 O OE1 B GLU A 1 137 ? 3.074 -4.379 4.064 0.5 23.96 ? 129 GLU A OE1 1 137 . A ATOM 1168 O OE2 A GLU A 1 137 ? 6.867 -4.863 5.025 0.5 23.44 ? 129 GLU A OE2 1 137 . A ATOM 1169 O OE2 B GLU A 1 137 ? 5.225 -4.100 3.847 0.5 24.22 ? 129 GLU A OE2 1 137 . A ATOM 1170 N N . ARG A 1 138 ? 4.194 0.866 2.842 1.0 10.76 ? 130 ARG A N 1 138 . A ATOM 1171 C CA . ARG A 1 138 ? 3.089 1.570 2.192 1.0 13.21 ? 130 ARG A CA 1 138 . A ATOM 1172 C C . ARG A 1 138 ? 1.766 0.891 2.475 1.0 14.34 ? 130 ARG A C 1 138 . A ATOM 1173 O O . ARG A 1 138 ? 1.622 -0.358 2.410 1.0 15.66 ? 130 ARG A O 1 138 . A ATOM 1174 C CB . ARG A 1 138 ? 3.303 1.582 0.701 1.0 14.7 ? 130 ARG A CB 1 138 . A ATOM 1175 C CG . ARG A 1 138 ? 4.465 2.316 0.277 1.0 16.88 ? 130 ARG A CG 1 138 . A ATOM 1176 C CD . ARG A 1 138 ? 4.184 3.763 0.142 1.0 18.08 ? 130 ARG A CD 1 138 . A ATOM 1177 N NE . ARG A 1 138 ? 5.349 4.478 -0.383 1.0 18.32 ? 130 ARG A NE 1 138 . A ATOM 1178 C CZ . ARG A 1 138 ? 5.411 5.790 -0.544 1.0 16.56 ? 130 ARG A CZ 1 138 . A ATOM 1179 N NH1 . ARG A 1 138 ? 4.386 6.540 -0.286 1.0 16.38 ? 130 ARG A NH1 1 138 . A ATOM 1180 N NH2 . ARG A 1 138 ? 6.542 6.343 -0.949 1.0 18.46 ? 130 ARG A NH2 1 138 . A ATOM 1181 N N . ALA A 1 139 ? 0.768 1.689 2.794 1.0 15.38 ? 131 ALA A N 1 139 . A ATOM 1182 C CA . ALA A 1 139 ? -0.516 1.151 3.150 1.0 18.11 ? 131 ALA A CA 1 139 . A ATOM 1183 C C . ALA A 1 139 ? -1.245 0.582 1.912 1.0 20.22 ? 131 ALA A C 1 139 . A ATOM 1184 O O . ALA A 1 139 ? -0.903 0.943 0.800 1.0 22.45 ? 131 ALA A O 1 139 . A ATOM 1185 C CB . ALA A 1 139 ? -1.346 2.232 3.825 1.0 19.2 ? 131 ALA A CB 1 139 . A HETATM 1186 C C1 . IBP B 2 . ? 5.912 6.100 15.533 1.0 23.49 ? 133 IBP B C1 1 133 . A HETATM 1187 C C2 . IBP B 2 . ? 4.998 8.580 21.675 1.0 21.54 ? 133 IBP B C2 1 133 . A HETATM 1188 C C3 . IBP B 2 . ? 4.916 7.519 22.769 1.0 24.21 ? 133 IBP B C3 1 133 . A HETATM 1189 C C4 . IBP B 2 . ? 6.354 7.260 23.229 1.0 26.19 ? 133 IBP B C4 1 133 . A HETATM 1190 C C5 . IBP B 2 . ? 4.046 6.332 22.271 1.0 24.79 ? 133 IBP B C5 1 133 . A HETATM 1191 C C6 . IBP B 2 . ? 6.959 6.541 16.556 1.0 22.44 ? 133 IBP B C6 1 133 . A HETATM 1192 C C7 . IBP B 2 . ? 7.564 7.849 16.044 1.0 21.52 ? 133 IBP B C7 1 133 . A HETATM 1193 C C8 . IBP B 2 . ? 6.383 6.991 17.891 1.0 19.38 ? 133 IBP B C8 1 133 . A HETATM 1194 C C9 . IBP B 2 . ? 7.295 7.487 18.806 1.0 16.5 ? 133 IBP B C9 1 133 . A HETATM 1195 C C10 . IBP B 2 . ? 6.818 7.993 20.007 1.0 17.91 ? 133 IBP B C10 1 133 . A HETATM 1196 C C11 . IBP B 2 . ? 5.466 7.995 20.324 1.0 18.98 ? 133 IBP B C11 1 133 . A HETATM 1197 C C12 . IBP B 2 . ? 4.558 7.493 19.381 1.0 20.07 ? 133 IBP B C12 1 133 . A HETATM 1198 C C13 . IBP B 2 . ? 5.011 7.006 18.157 1.0 21.23 ? 133 IBP B C13 1 133 . A HETATM 1199 O O1 . IBP B 2 . ? 5.828 4.891 15.301 1.0 21.01 ? 133 IBP B O1 1 133 . A HETATM 1200 O O2 . IBP B 2 . ? 5.119 6.949 15.023 1.0 25.39 ? 133 IBP B O2 1 133 . A HETATM 1201 O O . HOH C 3 . ? -3.992 6.125 7.622 1.0 34.54 ? 134 HOH C O 1 134 . A HETATM 1202 O O . HOH C 3 . ? 10.423 22.071 12.751 1.0 8.95 ? 135 HOH C O 1 135 . A HETATM 1203 O O . HOH C 3 . ? 7.234 24.913 12.333 1.0 11.14 ? 136 HOH C O 1 136 . A HETATM 1204 O O . HOH C 3 . ? 4.675 24.380 13.250 1.0 10.77 ? 137 HOH C O 1 137 . A HETATM 1205 O O . HOH C 3 . ? -2.667 5.959 32.846 1.0 40.24 ? 138 HOH C O 1 138 . A HETATM 1206 O O . HOH C 3 . ? 1.006 20.272 5.118 1.0 13.35 ? 139 HOH C O 1 139 . A HETATM 1207 O O . HOH C 3 . ? 5.443 -1.126 -1.029 1.0 65.24 ? 140 HOH C O 1 140 . A HETATM 1208 O O . HOH C 3 . ? -2.744 18.850 20.448 1.0 33.54 ? 141 HOH C O 1 141 . A HETATM 1209 O O . HOH C 3 . ? 9.184 21.330 2.493 1.0 47.27 ? 142 HOH C O 1 142 . A HETATM 1210 O O . HOH C 3 . ? 13.731 26.627 15.364 1.0 11.65 ? 143 HOH C O 1 143 . A HETATM 1211 O O . HOH C 3 . ? 17.988 27.310 5.841 1.0 28.11 ? 144 HOH C O 1 144 . A HETATM 1212 O O . HOH C 3 . ? 11.705 12.318 12.131 1.0 11.66 ? 145 HOH C O 1 145 . A HETATM 1213 O O . HOH C 3 . ? 0.800 7.512 -1.831 1.0 29.47 ? 146 HOH C O 1 146 . A HETATM 1214 O O . HOH C 3 . ? 8.697 -3.773 1.127 1.0 40.87 ? 147 HOH C O 1 147 . A HETATM 1215 O O . HOH C 3 . ? 3.755 25.550 17.914 1.0 15.09 ? 148 HOH C O 1 148 . A HETATM 1216 O O . HOH C 3 . ? 25.608 5.028 23.797 1.0 38.92 ? 149 HOH C O 1 149 . A HETATM 1217 O O . HOH C 3 . ? 16.255 23.270 8.777 1.0 29.96 ? 150 HOH C O 1 150 . A HETATM 1218 O O . HOH C 3 . ? 3.956 10.317 13.579 1.0 34.56 ? 151 HOH C O 1 151 . A HETATM 1219 O O . HOH C 3 . ? 8.450 21.628 26.746 1.0 46.68 ? 152 HOH C O 1 152 . A HETATM 1220 O O . HOH C 3 . ? 12.687 10.186 31.674 1.0 43.73 ? 153 HOH C O 1 153 . A HETATM 1221 O O . HOH C 3 . ? 7.294 26.307 -0.920 1.0 37.2 ? 154 HOH C O 1 154 . A HETATM 1222 O O . HOH C 3 . ? 6.366 23.729 -4.256 1.0 40.71 ? 155 HOH C O 1 155 . A HETATM 1223 O O . HOH C 3 . ? 6.542 21.629 -1.321 1.0 41.76 ? 156 HOH C O 1 156 . A HETATM 1224 O O . HOH C 3 . ? 21.528 7.690 8.286 1.0 38.94 ? 157 HOH C O 1 157 . A HETATM 1225 O O . HOH C 3 . ? -3.825 -0.547 22.306 1.0 12.31 ? 158 HOH C O 1 158 . A HETATM 1226 O O . HOH C 3 . ? -3.150 14.373 19.842 1.0 36.92 ? 159 HOH C O 1 159 . A HETATM 1227 O O . HOH C 3 . ? 9.810 23.002 5.422 1.0 14.24 ? 160 HOH C O 1 160 . A HETATM 1228 O O . HOH C 3 . ? 8.926 6.448 -3.435 1.0 49.79 ? 161 HOH C O 1 161 . A HETATM 1229 O O . HOH C 3 . ? -3.588 3.265 29.040 1.0 33.01 ? 162 HOH C O 1 162 . A HETATM 1230 O O . HOH C 3 . ? 10.071 -7.071 15.724 1.0 42.92 ? 163 HOH C O 1 163 . A HETATM 1231 O O . HOH C 3 . ? 3.311 21.412 23.987 1.0 35.39 ? 164 HOH C O 1 164 . A HETATM 1232 O O . HOH C 3 . ? 3.820 16.593 -2.153 1.0 40.96 ? 165 HOH C O 1 165 . A HETATM 1233 O O . HOH C 3 . ? 21.097 7.829 15.270 1.0 57.17 ? 166 HOH C O 1 166 . A HETATM 1234 O O . HOH C 3 . ? 15.313 8.986 3.214 1.0 18.51 ? 167 HOH C O 1 167 . A HETATM 1235 O O . HOH C 3 . ? 20.541 4.489 17.500 1.0 40.4 ? 168 HOH C O 1 168 . A HETATM 1236 O O . HOH C 3 . ? 7.646 3.133 -0.720 1.0 27.85 ? 169 HOH C O 1 169 . A HETATM 1237 O O . HOH C 3 . ? 20.844 11.472 10.863 1.0 67.95 ? 170 HOH C O 1 170 . A HETATM 1238 O O . HOH C 3 . ? 1.574 5.786 0.136 1.0 16.5 ? 171 HOH C O 1 171 . A HETATM 1239 O O . HOH C 3 . ? 8.812 10.516 21.631 1.0 14.3 ? 172 HOH C O 1 172 . A HETATM 1240 O O . HOH C 3 . ? 2.180 9.830 17.486 1.0 14.66 ? 173 HOH C O 1 173 . A HETATM 1241 O O . HOH C 3 . ? 8.783 -3.053 20.098 1.0 17.94 ? 174 HOH C O 1 174 . A HETATM 1242 O O . HOH C 3 . ? 1.605 15.783 -0.137 1.0 19.58 ? 175 HOH C O 1 175 . A HETATM 1243 O O . HOH C 3 . ? 7.141 27.732 11.818 1.0 16.84 ? 176 HOH C O 1 176 . A HETATM 1244 O O . HOH C 3 . ? 4.081 27.142 2.431 1.0 18.67 ? 177 HOH C O 1 177 . A HETATM 1245 O O . HOH C 3 . ? -0.526 14.348 6.471 1.0 15.64 ? 178 HOH C O 1 178 . A HETATM 1246 O O . HOH C 3 . ? 13.318 21.244 28.359 1.0 22.55 ? 179 HOH C O 1 179 . A HETATM 1247 O O . HOH C 3 . ? 1.909 12.782 14.317 1.0 18.7 ? 180 HOH C O 1 180 . A HETATM 1248 O O . HOH C 3 . ? 16.127 18.703 14.205 1.0 20.44 ? 181 HOH C O 1 181 . A HETATM 1249 O O . HOH C 3 . ? 18.010 -3.727 1.242 1.0 58.32 ? 182 HOH C O 1 182 . A HETATM 1250 O O . HOH C 3 . ? 7.466 5.197 -4.908 1.0 47.01 ? 183 HOH C O 1 183 . A HETATM 1251 O O . HOH C 3 . ? 16.322 21.104 7.262 1.0 17.56 ? 184 HOH C O 1 184 . A HETATM 1252 O O . HOH C 3 . ? 7.274 3.982 35.526 1.0 39.14 ? 185 HOH C O 1 185 . A HETATM 1253 O O . HOH C 3 . ? 21.912 11.752 7.606 1.0 64.78 ? 186 HOH C O 1 186 . A HETATM 1254 O O . HOH C 3 . ? 1.676 26.193 2.181 1.0 19.36 ? 187 HOH C O 1 187 . A HETATM 1255 O O . HOH C 3 . ? 15.816 -5.815 18.965 1.0 74.67 ? 188 HOH C O 1 188 . A HETATM 1256 O O . HOH C 3 . ? 3.351 11.444 19.520 1.0 13.84 ? 189 HOH C O 1 189 . A HETATM 1257 O O . HOH C 3 . ? 21.197 9.414 22.582 1.0 54.1 ? 190 HOH C O 1 190 . A HETATM 1258 O O . HOH C 3 . ? 8.390 2.651 -3.043 1.0 93.12 ? 191 HOH C O 1 191 . A HETATM 1259 O O . HOH C 3 . ? 11.330 -2.802 0.844 1.0 18.62 ? 192 HOH C O 1 192 . A HETATM 1260 O O . HOH C 3 . ? 20.366 10.967 20.271 1.0 37.49 ? 193 HOH C O 1 193 . A HETATM 1261 O O . HOH C 3 . ? 10.358 29.887 6.556 1.0 134.64 ? 194 HOH C O 1 194 . A HETATM 1262 O O . HOH C 3 . ? 11.322 27.956 4.972 1.0 44.57 ? 195 HOH C O 1 195 . A HETATM 1263 O O . HOH C 3 . ? 6.323 8.596 12.540 1.0 98.13 ? 196 HOH C O 1 196 . A HETATM 1264 O O . HOH C 3 . ? 2.884 1.007 18.772 1.0 18.47 ? 197 HOH C O 1 197 . A HETATM 1265 O O . HOH C 3 . ? 19.744 10.008 17.616 1.0 35.3 ? 198 HOH C O 1 198 . A HETATM 1266 O O . HOH C 3 . ? 20.319 4.935 28.471 1.0 21.46 ? 199 HOH C O 1 199 . A HETATM 1267 O O . HOH C 3 . ? 1.973 30.486 -7.078 1.0 40.95 ? 200 HOH C O 1 200 . A HETATM 1268 O O . HOH C 3 . ? 12.184 28.507 22.429 1.0 41.7 ? 201 HOH C O 1 201 . A HETATM 1269 O O . HOH C 3 . ? 13.177 21.556 19.833 1.0 18.21 ? 202 HOH C O 1 202 . A HETATM 1270 O O . HOH C 3 . ? -2.830 0.787 -1.295 1.0 37.83 ? 203 HOH C O 1 203 . A HETATM 1271 O O . HOH C 3 . ? 2.819 13.910 18.424 1.0 19.48 ? 204 HOH C O 1 204 . A HETATM 1272 O O . HOH C 3 . ? 13.215 -3.910 2.499 1.0 52.18 ? 205 HOH C O 1 205 . A HETATM 1273 O O . HOH C 3 . ? 13.079 -7.594 20.050 1.0 39.13 ? 206 HOH C O 1 206 . A HETATM 1274 O O . HOH C 3 . ? 11.533 -5.809 21.050 1.0 23.95 ? 207 HOH C O 1 207 . A HETATM 1275 O O . HOH C 3 . ? 6.266 -0.418 1.370 1.0 18.08 ? 208 HOH C O 1 208 . A HETATM 1276 O O . HOH C 3 . ? 6.179 11.389 19.548 1.0 16.45 ? 209 HOH C O 1 209 . A HETATM 1277 O O . HOH C 3 . ? 2.575 6.713 13.634 1.0 20.46 ? 210 HOH C O 1 210 . A HETATM 1278 O O . HOH C 3 . ? 18.219 0.754 1.603 1.0 46.03 ? 211 HOH C O 1 211 . A HETATM 1279 O O . HOH C 3 . ? 0.636 18.547 18.968 1.0 27.19 ? 212 HOH C O 1 212 . A HETATM 1280 O O . HOH C 3 . ? 6.067 27.560 15.398 1.0 18.23 ? 213 HOH C O 1 213 . A HETATM 1281 O O . HOH C 3 . ? 11.461 -3.150 13.676 1.0 19.07 ? 214 HOH C O 1 214 . A HETATM 1282 O O . HOH C 3 . ? 17.601 -1.636 20.052 1.0 22.09 ? 215 HOH C O 1 215 . A HETATM 1283 O O . HOH C 3 . ? 13.993 -1.973 4.255 1.0 48.29 ? 216 HOH C O 1 216 . A HETATM 1284 O O . HOH C 3 . ? -0.710 18.743 3.750 1.0 17.96 ? 217 HOH C O 1 217 . A HETATM 1285 O O . HOH C 3 . ? 17.754 13.818 21.739 1.0 21.78 ? 218 HOH C O 1 218 . A HETATM 1286 O O . HOH C 3 . ? 14.644 1.498 29.177 1.0 18.82 ? 219 HOH C O 1 219 . A HETATM 1287 O O . HOH C 3 . ? 0.484 5.071 32.379 1.0 24.92 ? 220 HOH C O 1 220 . A HETATM 1288 O O . HOH C 3 . ? 6.346 9.135 -1.814 1.0 21.09 ? 221 HOH C O 1 221 . A HETATM 1289 O O . HOH C 3 . ? 3.588 3.666 35.764 1.0 27.42 ? 222 HOH C O 1 222 . A HETATM 1290 O O . HOH C 3 . ? 12.329 -10.063 16.818 1.0 76.29 ? 223 HOH C O 1 223 . A HETATM 1291 O O . HOH C 3 . ? 17.441 13.356 27.957 1.0 25.0 ? 224 HOH C O 1 224 . A HETATM 1292 O O A HOH C 3 . ? 8.301 -3.472 22.743 0.5 18.86 ? 225 HOH C O 1 225 . A HETATM 1293 O O B HOH C 3 . ? 9.578 -3.670 23.125 0.5 25.79 ? 225 HOH C O 1 225 . A HETATM 1294 O O A HOH C 3 . ? 8.984 28.788 16.689 0.5 18.49 ? 226 HOH C O 1 226 . A HETATM 1295 O O B HOH C 3 . ? 9.569 28.810 15.333 0.5 11.64 ? 226 HOH C O 1 226 . A HETATM 1296 O O . HOH C 3 . ? 4.805 -1.710 25.584 1.0 24.44 ? 227 HOH C O 1 227 . A HETATM 1297 O O . HOH C 3 . ? 0.936 15.794 18.524 1.0 29.28 ? 228 HOH C O 1 228 . A HETATM 1298 O O . HOH C 3 . ? 18.259 11.294 24.327 1.0 29.49 ? 229 HOH C O 1 229 . A HETATM 1299 O O . HOH C 3 . ? -1.894 15.910 17.823 1.0 27.26 ? 230 HOH C O 1 230 . A HETATM 1300 O O . HOH C 3 . ? 15.520 19.709 27.307 1.0 25.63 ? 231 HOH C O 1 231 . A HETATM 1301 O O . HOH C 3 . ? 2.145 -3.552 24.701 1.0 21.51 ? 232 HOH C O 1 232 . A HETATM 1302 O O . HOH C 3 . ? -7.183 10.048 19.684 1.0 33.27 ? 233 HOH C O 1 233 . A HETATM 1303 O O . HOH C 3 . ? 11.422 -3.234 24.670 1.0 33.28 ? 234 HOH C O 1 234 . A HETATM 1304 O O . HOH C 3 . ? 5.131 -1.564 19.561 1.0 25.53 ? 235 HOH C O 1 235 . A HETATM 1305 O O . HOH C 3 . ? -2.257 3.886 -2.960 1.0 42.17 ? 236 HOH C O 1 236 . A HETATM 1306 O O . HOH C 3 . ? -5.246 14.054 14.828 1.0 45.5 ? 237 HOH C O 1 237 . A HETATM 1307 O O . HOH C 3 . ? 15.440 26.836 5.358 1.0 101.85 ? 238 HOH C O 1 238 . A HETATM 1308 O O . HOH C 3 . ? 18.854 17.712 14.756 1.0 36.19 ? 239 HOH C O 1 239 . A HETATM 1309 O O . HOH C 3 . ? -2.374 4.680 -0.248 1.0 38.97 ? 240 HOH C O 1 240 . A HETATM 1310 O O . HOH C 3 . ? 12.219 -6.532 23.435 1.0 34.99 ? 241 HOH C O 1 241 . A HETATM 1311 O O . HOH C 3 . ? 20.016 16.782 16.573 1.0 38.55 ? 242 HOH C O 1 242 . A HETATM 1312 O O . HOH C 3 . ? 16.009 -3.013 -2.764 1.0 23.44 ? 243 HOH C O 1 243 . A HETATM 1313 O O . HOH C 3 . ? 16.093 25.760 19.903 1.0 46.78 ? 244 HOH C O 1 244 . A HETATM 1314 O O . HOH C 3 . ? 4.692 14.676 30.993 1.0 48.32 ? 245 HOH C O 1 245 . A HETATM 1315 O O . HOH C 3 . ? 17.397 12.417 30.185 1.0 40.43 ? 246 HOH C O 1 246 . A HETATM 1316 O O . HOH C 3 . ? 7.336 -6.308 15.515 1.0 31.73 ? 247 HOH C O 1 247 . A HETATM 1317 O O . HOH C 3 . ? -0.211 21.682 29.375 1.0 39.65 ? 248 HOH C O 1 248 . A HETATM 1318 O O . HOH C 3 . ? 11.488 24.737 4.293 1.0 34.53 ? 249 HOH C O 1 249 . A HETATM 1319 O O . HOH C 3 . ? -1.856 20.273 11.551 1.0 30.53 ? 250 HOH C O 1 250 . A HETATM 1320 O O . HOH C 3 . ? -9.417 4.066 20.751 1.0 18.52 ? 251 HOH C O 1 251 . A HETATM 1321 O O . HOH C 3 . ? 20.837 5.062 21.561 1.0 24.38 ? 252 HOH C O 1 252 . A HETATM 1322 O O . HOH C 3 . ? 4.790 10.136 29.453 1.0 24.62 ? 253 HOH C O 1 253 . A HETATM 1323 O O . HOH C 3 . ? 0.100 3.438 -0.144 1.0 23.52 ? 254 HOH C O 1 254 . A HETATM 1324 O O . HOH C 3 . ? 17.234 8.923 16.421 1.0 26.74 ? 255 HOH C O 1 255 . A HETATM 1325 O O . HOH C 3 . ? 5.279 22.709 24.138 1.0 29.22 ? 256 HOH C O 1 256 . A HETATM 1326 O O . HOH C 3 . ? 2.846 12.279 30.066 1.0 28.06 ? 257 HOH C O 1 257 . A HETATM 1327 O O . HOH C 3 . ? 8.996 12.016 30.690 1.0 25.01 ? 258 HOH C O 1 258 . A HETATM 1328 O O . HOH C 3 . ? -4.623 12.006 13.313 1.0 33.35 ? 259 HOH C O 1 259 . A HETATM 1329 O O . HOH C 3 . ? 0.135 7.956 17.689 1.0 25.16 ? 260 HOH C O 1 260 . A HETATM 1330 O O . HOH C 3 . ? 9.252 21.217 29.718 1.0 30.11 ? 261 HOH C O 1 261 . A HETATM 1331 O O . HOH C 3 . ? 3.133 8.309 30.990 1.0 23.85 ? 262 HOH C O 1 262 . A HETATM 1332 O O . HOH C 3 . ? 6.120 -2.059 22.807 1.0 32.16 ? 263 HOH C O 1 263 . A HETATM 1333 O O . HOH C 3 . ? 8.818 4.901 32.802 1.0 23.88 ? 264 HOH C O 1 264 . A HETATM 1334 O O . HOH C 3 . ? 7.084 -3.066 30.469 1.0 26.25 ? 265 HOH C O 1 265 . A HETATM 1335 O O . HOH C 3 . ? 19.516 14.703 18.187 1.0 31.72 ? 266 HOH C O 1 266 . A HETATM 1336 O O . HOH C 3 . ? -1.838 7.861 -0.396 1.0 32.71 ? 267 HOH C O 1 267 . A HETATM 1337 O O . HOH C 3 . ? 10.994 22.250 26.587 1.0 29.94 ? 268 HOH C O 1 268 . A HETATM 1338 O O . HOH C 3 . ? 7.174 29.357 13.914 1.0 24.05 ? 269 HOH C O 1 269 . A HETATM 1339 O O . HOH C 3 . ? 12.795 25.544 6.189 1.0 28.88 ? 270 HOH C O 1 270 . A HETATM 1340 O O . HOH C 3 . ? 10.519 -3.729 28.305 1.0 48.81 ? 271 HOH C O 1 271 . A HETATM 1341 O O . HOH C 3 . ? 10.225 -5.248 9.287 1.0 36.2 ? 272 HOH C O 1 272 . A HETATM 1342 O O . HOH C 3 . ? 18.882 17.172 2.637 1.0 32.0 ? 273 HOH C O 1 273 . A HETATM 1343 O O . HOH C 3 . ? 18.402 4.568 2.415 1.0 24.43 ? 274 HOH C O 1 274 . A HETATM 1344 O O . HOH C 3 . ? 0.744 19.538 -2.000 1.0 37.61 ? 275 HOH C O 1 275 . A HETATM 1345 O O . HOH C 3 . ? 6.174 11.822 16.636 1.0 35.53 ? 276 HOH C O 1 276 . A HETATM 1346 O O . HOH C 3 . ? 8.035 30.717 8.506 1.0 28.04 ? 277 HOH C O 1 277 . A HETATM 1347 O O . HOH C 3 . ? -3.931 1.782 15.029 1.0 26.55 ? 278 HOH C O 1 278 . A HETATM 1348 O O . HOH C 3 . ? 4.400 9.395 15.920 1.0 22.84 ? 279 HOH C O 1 279 . A HETATM 1349 O O . HOH C 3 . ? 4.958 17.179 29.767 1.0 31.47 ? 280 HOH C O 1 280 . A HETATM 1350 O O . HOH C 3 . ? 4.210 13.313 15.693 1.0 26.1 ? 281 HOH C O 1 281 . A HETATM 1351 O O . HOH C 3 . ? 0.071 5.226 18.666 1.0 34.88 ? 282 HOH C O 1 282 . A HETATM 1352 O O . HOH C 3 . ? -7.686 6.574 19.109 1.0 30.84 ? 283 HOH C O 1 283 . A HETATM 1353 O O . HOH C 3 . ? 5.948 29.957 10.091 1.0 27.66 ? 284 HOH C O 1 284 . A HETATM 1354 O O . HOH C 3 . ? 19.427 20.386 7.524 1.0 35.54 ? 285 HOH C O 1 285 . A HETATM 1355 O O . HOH C 3 . ? 13.392 6.636 -1.554 1.0 24.53 ? 286 HOH C O 1 286 . A HETATM 1356 O O . HOH C 3 . ? -5.099 2.361 33.319 1.0 30.83 ? 287 HOH C O 1 287 . A HETATM 1357 O O . HOH C 3 . ? 15.885 26.116 8.695 1.0 26.29 ? 288 HOH C O 1 288 . A HETATM 1358 O O . HOH C 3 . ? 1.565 25.781 -13.149 1.0 27.43 ? 289 HOH C O 1 289 . A HETATM 1359 O O . HOH C 3 . ? -1.089 18.297 0.720 1.0 30.47 ? 290 HOH C O 1 290 . A HETATM 1360 O O . HOH C 3 . ? 16.500 23.207 21.642 1.0 41.04 ? 291 HOH C O 1 291 . A HETATM 1361 O O . HOH C 3 . ? 2.432 -5.391 19.901 1.0 30.93 ? 292 HOH C O 1 292 . A HETATM 1362 O O . HOH C 3 . ? -7.975 6.242 14.915 1.0 39.0 ? 293 HOH C O 1 293 . A HETATM 1363 O O . HOH C 3 . ? 5.475 16.588 -5.323 1.0 38.23 ? 294 HOH C O 1 294 . A HETATM 1364 O O . HOH C 3 . ? 13.558 28.145 7.942 1.0 34.29 ? 295 HOH C O 1 295 . A HETATM 1365 O O . HOH C 3 . ? 2.798 -2.394 17.741 1.0 29.61 ? 296 HOH C O 1 296 . A HETATM 1366 O O . HOH C 3 . ? 18.350 11.463 21.646 1.0 46.45 ? 297 HOH C O 1 297 . A HETATM 1367 O O . HOH C 3 . ? 8.789 -5.975 20.148 1.0 33.13 ? 298 HOH C O 1 298 . A HETATM 1368 O O . HOH C 3 . ? -2.253 19.573 6.723 1.0 33.29 ? 299 HOH C O 1 299 . A HETATM 1369 O O . HOH C 3 . ? -2.782 5.917 28.952 1.0 41.08 ? 300 HOH C O 1 300 . A HETATM 1370 O O . HOH C 3 . ? 0.109 -2.634 9.576 1.0 34.9 ? 301 HOH C O 1 301 . A HETATM 1371 O O . HOH C 3 . ? 3.026 -4.579 22.480 1.0 34.92 ? 302 HOH C O 1 302 . A HETATM 1372 O O . HOH C 3 . ? 12.922 12.132 -3.047 1.0 44.94 ? 303 HOH C O 1 303 . A HETATM 1373 O O . HOH C 3 . ? -2.062 9.409 26.363 1.0 43.71 ? 304 HOH C O 1 304 . A HETATM 1374 O O . HOH C 3 . ? 2.894 -2.373 1.131 1.0 35.03 ? 305 HOH C O 1 305 . A # _entry.id 3P6H # _cell.entry_id 3P6H _cell.length_a 45.025 _cell.length_b 51.506 _cell.length_c 59.155 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _pdbe_orig_cell.entry_id 3P6H _pdbe_orig_cell.length_a 32.328 _pdbe_orig_cell.length_b 53.380 _pdbe_orig_cell.length_c 75.031 _pdbe_orig_cell.angle_alpha 90.00 _pdbe_orig_cell.angle_beta 90.00 _pdbe_orig_cell.angle_gamma 90.00 _pdbe_orig_cell.Z_PDB 4 _pdbe_orig_cell.pdbx_unique_axis ? _pdbe_orig_cell.length_a_esd ? _pdbe_orig_cell.length_b_esd ? _pdbe_orig_cell.length_c_esd ? _pdbe_orig_cell.angle_alpha_esd ? _pdbe_orig_cell.angle_beta_esd ? _pdbe_orig_cell.angle_gamma_esd ? # _symmetry.entry_id 3P6H _symmetry.space_group_name_H-M "P 1" _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number ? # _pdbe_orig_symmetry.entry_id 3P6H _pdbe_orig_symmetry.space_group_name_H-M "P 21 21 21" _pdbe_orig_symmetry.pdbx_full_space_group_name_H-M ? _pdbe_orig_symmetry.cell_setting ? _pdbe_orig_symmetry.Int_Tables_number 19 _pdbe_orig_symmetry.space_group_name_Hall ? # _entity_name_com.entity_id 1 _entity_name_com.name "Adipocyte lipid-binding protein, ALBP, Adipocyte-type fatty acid-binding protein, A-FABP, AFABP, Fatty acid-binding protein 4" # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene FABP4 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name "Homo sapiens" _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name "Escherichia coli" _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain BL21(DE3) _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pET28a _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _exptl.entry_id 3P6H _exptl.method "X-ray diffraction" _exptl.crystals_number 1 # _reflns.entry_id 3P6H _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 43.5 _reflns.d_resolution_high 1.06 _reflns.number_obs 58556 _reflns.number_all 58556 _reflns.percent_possible_obs 98.400 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.124 _reflns.pdbx_netI_over_sigmaI 6.100 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 6.300 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.pdbx_refine_id "X-ray diffraction" _refine.entry_id 3P6H _refine.ls_number_reflns_obs 46490 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 43.50 _refine.ls_d_res_high 1.15 _refine.ls_percent_reflns_obs 99.0 _refine.ls_R_factor_obs 0.160 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.158 _refine.ls_R_factor_R_free 0.191 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.100 _refine.ls_number_reflns_R_free 2355 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.500 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc 0.971 _refine.correlation_coeff_Fo_to_Fc_free 0.963 _refine.B_iso_mean 17.03 _refine.aniso_B[1][1] 1.60000 _refine.aniso_B[2][2] -0.13000 _refine.aniso_B[3][3] -1.47000 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] 0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details "BABINET MODEL WITH MASK" _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method ? _refine.details "HYDROGENS HAVE BEEN ADDED IN THE" _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct "MOLECULAR REPLACEMENT" _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values "MAXIMUM LIKELIHOOD" _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.033 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 1.636 _refine.overall_SU_R_Cruickshank_DPI 0.0386 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? # _refine_hist.pdbx_refine_id "X-ray diffraction" _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1072 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 15 _refine_hist.number_atoms_solvent 172 _refine_hist.number_atoms_total 1259 _refine_hist.d_res_high 1.15 _refine_hist.d_res_low 43.50 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type "identity operation" _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? # _struct.entry_id 3P6H _struct.title "Human adipocyte lipid-binding protein FABP4 in complex with (S)-ibuprofen" _struct.pdbx_descriptor "Fatty acid-binding protein, adipocyte" _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _atom_sites.entry_id 3P6H _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _pdbe_orig_poly_seq_scheme.asym_id _pdbe_orig_poly_seq_scheme.entity_id _pdbe_orig_poly_seq_scheme.seq_id _pdbe_orig_poly_seq_scheme.mon_id _pdbe_orig_poly_seq_scheme.ndb_seq_num _pdbe_orig_poly_seq_scheme.pdb_seq_num _pdbe_orig_poly_seq_scheme.auth_seq_num _pdbe_orig_poly_seq_scheme.pdb_mon_id _pdbe_orig_poly_seq_scheme.auth_mon_id _pdbe_orig_poly_seq_scheme.pdb_strand_id _pdbe_orig_poly_seq_scheme.pdb_ins_code _pdbe_orig_poly_seq_scheme.hetero A 1 1 GLN 1 -7 -7 GLN ALA A . n A 1 2 GLN 2 -6 -6 GLN ALA A . n A 1 3 MET 3 -5 -5 MET MET A . n A 1 4 GLY 4 -4 -4 GLY GLY A . n A 1 5 ARG 5 -3 -3 ARG ARG A . n A 1 6 GLY 6 -2 -2 GLY GLY A . n A 1 7 SER 7 -1 -1 SER SER A . n A 1 8 MET 8 0 0 MET MET A . n A 1 9 CYS 9 1 1 CYS CYS A . n A 1 10 ASP 10 2 2 ASP ASP A . n A 1 11 ALA 11 3 3 ALA ALA A . n A 1 12 PHE 12 4 4 PHE PHE A . n A 1 13 VAL 13 5 5 VAL VAL A . n A 1 14 GLY 14 6 6 GLY GLY A . n A 1 15 THR 15 7 7 THR THR A . n A 1 16 TRP 16 8 8 TRP TRP A . n A 1 17 LYS 17 9 9 LYS LYS A . n A 1 18 LEU 18 10 10 LEU LEU A . n A 1 19 VAL 19 11 11 VAL VAL A . n A 1 20 SER 20 12 12 SER SER A . n A 1 21 SER 21 13 13 SER SER A . n A 1 22 GLU 22 14 14 GLU GLU A . n A 1 23 ASN 23 15 15 ASN ASN A . n A 1 24 PHE 24 16 16 PHE PHE A . n A 1 25 ASP 25 17 17 ASP ASP A . n A 1 26 ASP 26 18 18 ASP ASP A . n A 1 27 TYR 27 19 19 TYR TYR A . n A 1 28 MET 28 20 20 MET MET A . n A 1 29 LYS 29 21 21 LYS LYS A . n A 1 30 GLU 30 22 22 GLU GLU A . n A 1 31 VAL 31 23 23 VAL VAL A . n A 1 32 GLY 32 24 24 GLY GLY A . n A 1 33 VAL 33 25 25 VAL VAL A . n A 1 34 GLY 34 26 26 GLY GLY A . n A 1 35 PHE 35 27 27 PHE PHE A . n A 1 36 ALA 36 28 28 ALA ALA A . n A 1 37 THR 37 29 29 THR THR A . n A 1 38 ARG 38 30 30 ARG ARG A . n A 1 39 LYS 39 31 31 LYS LYS A . n A 1 40 VAL 40 32 32 VAL VAL A . n A 1 41 ALA 41 33 33 ALA ALA A . n A 1 42 GLY 42 34 34 GLY GLY A . n A 1 43 MET 43 35 35 MET MET A . n A 1 44 ALA 44 36 36 ALA ALA A . n A 1 45 LYS 45 37 37 LYS LYS A . n A 1 46 PRO 46 38 38 PRO PRO A . n A 1 47 ASN 47 39 39 ASN ASN A . n A 1 48 MET 48 40 40 MET MET A . n A 1 49 ILE 49 41 41 ILE ILE A . n A 1 50 ILE 50 42 42 ILE ILE A . n A 1 51 SER 51 43 43 SER SER A . n A 1 52 VAL 52 44 44 VAL VAL A . n A 1 53 ASN 53 45 45 ASN ASN A . n A 1 54 GLY 54 46 46 GLY GLY A . n A 1 55 ASP 55 47 47 ASP ASP A . n A 1 56 VAL 56 48 48 VAL VAL A . n A 1 57 ILE 57 49 49 ILE ILE A . n A 1 58 THR 58 50 50 THR THR A . n A 1 59 ILE 59 51 51 ILE ILE A . n A 1 60 LYS 60 52 52 LYS LYS A . n A 1 61 SER 61 53 53 SER SER A . n A 1 62 GLU 62 54 54 GLU GLU A . n A 1 63 SER 63 55 55 SER SER A . n A 1 64 THR 64 56 56 THR THR A . n A 1 65 PHE 65 57 57 PHE PHE A . n A 1 66 LYS 66 58 58 LYS LYS A . n A 1 67 ASN 67 59 59 ASN ASN A . n A 1 68 THR 68 60 60 THR THR A . n A 1 69 GLU 69 61 61 GLU GLU A . n A 1 70 ILE 70 62 62 ILE ILE A . n A 1 71 SER 71 63 63 SER SER A . n A 1 72 PHE 72 64 64 PHE PHE A . n A 1 73 ILE 73 65 65 ILE ILE A . n A 1 74 LEU 74 66 66 LEU LEU A . n A 1 75 GLY 75 67 67 GLY GLY A . n A 1 76 GLN 76 68 68 GLN GLN A . n A 1 77 GLU 77 69 69 GLU GLU A . n A 1 78 PHE 78 70 70 PHE PHE A . n A 1 79 ASP 79 71 71 ASP ASP A . n A 1 80 GLU 80 72 72 GLU GLU A . n A 1 81 VAL 81 73 73 VAL VAL A . n A 1 82 THR 82 74 74 THR THR A . n A 1 83 ALA 83 75 75 ALA ALA A . n A 1 84 ASP 84 76 76 ASP ASP A . n A 1 85 ASP 85 77 77 ASP ASP A . n A 1 86 ARG 86 78 78 ARG ARG A . n A 1 87 LYS 87 79 79 LYS LYS A . n A 1 88 VAL 88 80 80 VAL VAL A . n A 1 89 LYS 89 81 81 LYS LYS A . n A 1 90 SER 90 82 82 SER SER A . n A 1 91 THR 91 83 83 THR THR A . n A 1 92 ILE 92 84 84 ILE ILE A . n A 1 93 THR 93 85 85 THR THR A . n A 1 94 LEU 94 86 86 LEU LEU A . n A 1 95 ASP 95 87 87 ASP ASP A . n A 1 96 GLY 96 88 88 GLY GLY A . n A 1 97 GLY 97 89 89 GLY GLY A . n A 1 98 VAL 98 90 90 VAL VAL A . n A 1 99 LEU 99 91 91 LEU LEU A . n A 1 100 VAL 100 92 92 VAL VAL A . n A 1 101 HIS 101 93 93 HIS HIS A . n A 1 102 VAL 102 94 94 VAL VAL A . n A 1 103 GLN 103 95 95 GLN GLN A . n A 1 104 LYS 104 96 96 LYS LYS A . n A 1 105 TRP 105 97 97 TRP TRP A . n A 1 106 ASP 106 98 98 ASP ASP A . n A 1 107 GLY 107 99 99 GLY GLY A . n A 1 108 LYS 108 100 100 LYS LYS A . n A 1 109 SER 109 101 101 SER SER A . n A 1 110 THR 110 102 102 THR THR A . n A 1 111 THR 111 103 103 THR THR A . n A 1 112 ILE 112 104 104 ILE ILE A . n A 1 113 LYS 113 105 105 LYS LYS A . n A 1 114 ARG 114 106 106 ARG ARG A . n A 1 115 LYS 115 107 107 LYS LYS A . n A 1 116 ARG 116 108 108 ARG ARG A . n A 1 117 GLU 117 109 109 GLU GLU A . n A 1 118 ASP 118 110 110 ASP ASP A . n A 1 119 ASP 119 111 111 ASP ASP A . n A 1 120 LYS 120 112 112 LYS LYS A . n A 1 121 LEU 121 113 113 LEU LEU A . n A 1 122 VAL 122 114 114 VAL VAL A . n A 1 123 VAL 123 115 115 VAL VAL A . n A 1 124 GLU 124 116 116 GLU GLU A . n A 1 125 CYS 125 117 117 CYS CYS A . n A 1 126 VAL 126 118 118 VAL VAL A . n A 1 127 MET 127 119 119 MET MET A . n A 1 128 LYS 128 120 120 LYS LYS A . n A 1 129 GLY 129 121 121 GLY GLY A . n A 1 130 VAL 130 122 122 VAL VAL A . n A 1 131 THR 131 123 123 THR THR A . n A 1 132 SER 132 124 124 SER SER A . n A 1 133 THR 133 125 125 THR THR A . n A 1 134 ARG 134 126 126 ARG ARG A . n A 1 135 VAL 135 127 127 VAL VAL A . n A 1 136 TYR 136 128 128 TYR TYR A . n A 1 137 GLU 137 129 129 GLU GLU A . n A 1 138 ARG 138 130 130 ARG ARG A . n A 1 139 ALA 139 131 131 ALA ALA A . n # loop_ _pdbe_orig_nonpoly_scheme.asym_id _pdbe_orig_nonpoly_scheme.entity_id _pdbe_orig_nonpoly_scheme.mon_id _pdbe_orig_nonpoly_scheme.ndb_seq_num _pdbe_orig_nonpoly_scheme.pdb_seq_num _pdbe_orig_nonpoly_scheme.auth_seq_num _pdbe_orig_nonpoly_scheme.pdb_mon_id _pdbe_orig_nonpoly_scheme.auth_mon_id _pdbe_orig_nonpoly_scheme.pdb_strand_id _pdbe_orig_nonpoly_scheme.pdb_ins_code B 2 IBP 1 133 1 IBP IBP A . C 3 HOH 1 134 134 HOH HOH A . C 3 HOH 2 135 1 HOH HOH A . C 3 HOH 3 136 2 HOH HOH A . C 3 HOH 4 137 3 HOH HOH A . C 3 HOH 5 138 138 HOH HOH A . C 3 HOH 6 139 4 HOH HOH A . C 3 HOH 7 140 140 HOH HOH A . C 3 HOH 8 141 141 HOH HOH A . C 3 HOH 9 142 142 HOH HOH A . C 3 HOH 10 143 5 HOH HOH A . C 3 HOH 11 144 144 HOH HOH A . C 3 HOH 12 145 6 HOH HOH A . C 3 HOH 13 146 146 HOH HOH A . C 3 HOH 14 147 147 HOH HOH A . C 3 HOH 15 148 7 HOH HOH A . C 3 HOH 16 149 149 HOH HOH A . C 3 HOH 17 150 150 HOH HOH A . C 3 HOH 18 151 151 HOH HOH A . C 3 HOH 19 152 152 HOH HOH A . C 3 HOH 20 153 153 HOH HOH A . C 3 HOH 21 154 154 HOH HOH A . C 3 HOH 22 155 155 HOH HOH A . C 3 HOH 23 156 156 HOH HOH A . C 3 HOH 24 157 157 HOH HOH A . C 3 HOH 25 158 8 HOH HOH A . C 3 HOH 26 159 159 HOH HOH A . C 3 HOH 27 160 9 HOH HOH A . C 3 HOH 28 161 161 HOH HOH A . C 3 HOH 29 162 162 HOH HOH A . C 3 HOH 30 163 163 HOH HOH A . C 3 HOH 31 164 164 HOH HOH A . C 3 HOH 32 165 165 HOH HOH A . C 3 HOH 33 166 166 HOH HOH A . C 3 HOH 34 167 10 HOH HOH A . C 3 HOH 35 168 168 HOH HOH A . C 3 HOH 36 169 169 HOH HOH A . C 3 HOH 37 170 170 HOH HOH A . C 3 HOH 38 171 11 HOH HOH A . C 3 HOH 39 172 12 HOH HOH A . C 3 HOH 40 173 13 HOH HOH A . C 3 HOH 41 174 14 HOH HOH A . C 3 HOH 42 175 15 HOH HOH A . C 3 HOH 43 176 16 HOH HOH A . C 3 HOH 44 177 17 HOH HOH A . C 3 HOH 45 178 18 HOH HOH A . C 3 HOH 46 179 19 HOH HOH A . C 3 HOH 47 180 20 HOH HOH A . C 3 HOH 48 181 21 HOH HOH A . C 3 HOH 49 182 182 HOH HOH A . C 3 HOH 50 183 183 HOH HOH A . C 3 HOH 51 184 22 HOH HOH A . C 3 HOH 52 185 185 HOH HOH A . C 3 HOH 53 186 186 HOH HOH A . C 3 HOH 54 187 23 HOH HOH A . C 3 HOH 55 188 188 HOH HOH A . C 3 HOH 56 189 24 HOH HOH A . C 3 HOH 57 190 190 HOH HOH A . C 3 HOH 58 191 191 HOH HOH A . C 3 HOH 59 192 25 HOH HOH A . C 3 HOH 60 193 193 HOH HOH A . C 3 HOH 61 194 194 HOH HOH A . C 3 HOH 62 195 195 HOH HOH A . C 3 HOH 63 196 196 HOH HOH A . C 3 HOH 64 197 26 HOH HOH A . C 3 HOH 65 198 198 HOH HOH A . C 3 HOH 66 199 27 HOH HOH A . C 3 HOH 67 200 200 HOH HOH A . C 3 HOH 68 201 201 HOH HOH A . C 3 HOH 69 202 28 HOH HOH A . C 3 HOH 70 203 203 HOH HOH A . C 3 HOH 71 204 29 HOH HOH A . C 3 HOH 72 205 205 HOH HOH A . C 3 HOH 73 206 206 HOH HOH A . C 3 HOH 74 207 30 HOH HOH A . C 3 HOH 75 208 31 HOH HOH A . C 3 HOH 76 209 32 HOH HOH A . C 3 HOH 77 210 33 HOH HOH A . C 3 HOH 78 211 211 HOH HOH A . C 3 HOH 79 212 35 HOH HOH A . C 3 HOH 80 213 36 HOH HOH A . C 3 HOH 81 214 37 HOH HOH A . C 3 HOH 82 215 38 HOH HOH A . C 3 HOH 83 216 216 HOH HOH A . C 3 HOH 84 217 39 HOH HOH A . C 3 HOH 85 218 40 HOH HOH A . C 3 HOH 86 219 41 HOH HOH A . C 3 HOH 87 220 42 HOH HOH A . C 3 HOH 88 221 43 HOH HOH A . C 3 HOH 89 222 44 HOH HOH A . C 3 HOH 90 223 223 HOH HOH A . C 3 HOH 91 224 45 HOH HOH A . C 3 HOH 92 225 46 HOH HOH A . C 3 HOH 93 226 47 HOH HOH A . C 3 HOH 94 227 48 HOH HOH A . C 3 HOH 95 228 49 HOH HOH A . C 3 HOH 96 229 50 HOH HOH A . C 3 HOH 97 230 51 HOH HOH A . C 3 HOH 98 231 52 HOH HOH A . C 3 HOH 99 232 53 HOH HOH A . C 3 HOH 100 233 54 HOH HOH A . C 3 HOH 101 234 55 HOH HOH A . C 3 HOH 102 235 56 HOH HOH A . C 3 HOH 103 236 236 HOH HOH A . C 3 HOH 104 237 237 HOH HOH A . C 3 HOH 105 238 238 HOH HOH A . C 3 HOH 106 239 239 HOH HOH A . C 3 HOH 107 240 240 HOH HOH A . C 3 HOH 108 241 241 HOH HOH A . C 3 HOH 109 242 242 HOH HOH A . C 3 HOH 110 243 57 HOH HOH A . C 3 HOH 111 244 244 HOH HOH A . C 3 HOH 112 245 245 HOH HOH A . C 3 HOH 113 246 246 HOH HOH A . C 3 HOH 114 247 247 HOH HOH A . C 3 HOH 115 248 248 HOH HOH A . C 3 HOH 116 249 249 HOH HOH A . C 3 HOH 117 250 58 HOH HOH A . C 3 HOH 118 251 59 HOH HOH A . C 3 HOH 119 252 60 HOH HOH A . C 3 HOH 120 253 61 HOH HOH A . C 3 HOH 121 254 62 HOH HOH A . C 3 HOH 122 255 63 HOH HOH A . C 3 HOH 123 256 64 HOH HOH A . C 3 HOH 124 257 65 HOH HOH A . C 3 HOH 125 258 67 HOH HOH A . C 3 HOH 126 259 68 HOH HOH A . C 3 HOH 127 260 69 HOH HOH A . C 3 HOH 128 261 70 HOH HOH A . C 3 HOH 129 262 72 HOH HOH A . C 3 HOH 130 263 73 HOH HOH A . C 3 HOH 131 264 74 HOH HOH A . C 3 HOH 132 265 75 HOH HOH A . C 3 HOH 133 266 76 HOH HOH A . C 3 HOH 134 267 77 HOH HOH A . C 3 HOH 135 268 78 HOH HOH A . C 3 HOH 136 269 79 HOH HOH A . C 3 HOH 137 270 80 HOH HOH A . C 3 HOH 138 271 81 HOH HOH A . C 3 HOH 139 272 82 HOH HOH A . C 3 HOH 140 273 83 HOH HOH A . C 3 HOH 141 274 84 HOH HOH A . C 3 HOH 142 275 86 HOH HOH A . C 3 HOH 143 276 87 HOH HOH A . C 3 HOH 144 277 88 HOH HOH A . C 3 HOH 145 278 89 HOH HOH A . C 3 HOH 146 279 91 HOH HOH A . C 3 HOH 147 280 92 HOH HOH A . C 3 HOH 148 281 93 HOH HOH A . C 3 HOH 149 282 94 HOH HOH A . C 3 HOH 150 283 95 HOH HOH A . C 3 HOH 151 284 97 HOH HOH A . C 3 HOH 152 285 98 HOH HOH A . C 3 HOH 153 286 99 HOH HOH A . C 3 HOH 154 287 100 HOH HOH A . C 3 HOH 155 288 101 HOH HOH A . C 3 HOH 156 289 102 HOH HOH A . C 3 HOH 157 290 103 HOH HOH A . C 3 HOH 158 291 104 HOH HOH A . C 3 HOH 159 292 108 HOH HOH A . C 3 HOH 160 293 109 HOH HOH A . C 3 HOH 161 294 110 HOH HOH A . C 3 HOH 162 295 112 HOH HOH A . C 3 HOH 163 296 114 HOH HOH A . C 3 HOH 164 297 115 HOH HOH A . C 3 HOH 165 298 116 HOH HOH A . C 3 HOH 166 299 120 HOH HOH A . C 3 HOH 167 300 121 HOH HOH A . C 3 HOH 168 301 122 HOH HOH A . C 3 HOH 169 302 124 HOH HOH A . C 3 HOH 170 303 127 HOH HOH A . C 3 HOH 171 304 128 HOH HOH A . C 3 HOH 172 305 129 HOH HOH A . # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details _entity.assembly_id 1 polymer man "Fatty acid-binding protein, adipocyte" 15485.729 1 ? ? ? ? 1 2 non-polymer syn IBUPROFEN 206.281 1 ? ? ? ? 1 3 water nat water 18.015 1 ? ? ? ? 1 # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;QQMGRGSMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDE VTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA ; _entity_poly.pdbx_seq_one_letter_code_can ;QQMGRGSMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDE VTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? _entity_poly.assembly_id 1 # loop_ _pdbx_entity_nonpoly.assembly_id _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 1 2 IBUPROFEN IBP 1 3 water HOH # loop_ _pdbe_entity_remapping.source_coordinates _pdbe_entity_remapping.assembly_id _pdbe_entity_remapping.entity_id _pdbe_entity_remapping.type _pdbe_entity_remapping.description 3P6H 1 1 polypeptide(L) "Fatty acid-binding protein, adipocyte" 3P6H 1 2 ligand IBUPROFEN 3P6H 1 3 ligand water # loop_ _pdbe_chain_remapping.source_coordinates _pdbe_chain_remapping.assembly_id _pdbe_chain_remapping.model_num _pdbe_chain_remapping.entity_id _pdbe_chain_remapping.orig_auth_asym_id _pdbe_chain_remapping.new_auth_asym_id _pdbe_chain_remapping.orig_label_asym_id _pdbe_chain_remapping.new_label_asym_id _pdbe_chain_remapping.applied_operations 3P6H 1 1 1 A A A A "_1" 3P6H 1 1 2 A B B B "_1" 3P6H 1 1 3 A C C C "_1" #