data_1msa-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 . ASP A 1 1 ? 75.678 39.565 45.672 1.0 21.33 ? 1 ASP A N 1 1 . A ATOM 2 C CA . ASP A 1 1 ? 74.908 40.450 44.743 1.0 20.92 ? 1 ASP A CA 1 1 . A ATOM 3 C C . ASP A 1 1 ? 74.583 41.778 45.412 1.0 18.21 ? 1 ASP A C 1 1 . A ATOM 4 O O . ASP A 1 1 ? 74.766 41.922 46.620 1.0 16.05 ? 1 ASP A O 1 1 . A ATOM 5 C CB . ASP A 1 1 ? 73.637 39.723 44.302 1.0 27.09 ? 1 ASP A CB 1 1 . A ATOM 6 C CG . ASP A 1 1 ? 73.061 40.231 42.999 1.0 31.49 ? 1 ASP A CG 1 1 . A ATOM 7 O OD1 . ASP A 1 1 ? 73.745 41.010 42.294 1.0 33.65 ? 1 ASP A OD1 1 1 . A ATOM 8 O OD2 . ASP A 1 1 ? 71.915 39.844 42.662 1.0 33.73 ? 1 ASP A OD2 1 1 . A ATOM 9 N N . ASN A 1 2 ? 74.094 42.750 44.651 1.0 16.72 ? 2 ASN A N 1 2 . A ATOM 10 C CA . ASN A 1 2 ? 73.753 44.056 45.196 1.0 16.16 ? 2 ASN A CA 1 2 . A ATOM 11 C C . ASN A 1 2 ? 72.249 44.300 45.183 1.0 15.45 ? 2 ASN A C 1 2 . A ATOM 12 O O . ASN A 1 2 ? 71.776 45.359 45.601 1.0 15.38 ? 2 ASN A O 1 2 . A ATOM 13 C CB . ASN A 1 2 ? 74.473 45.168 44.437 1.0 17.63 ? 2 ASN A CB 1 2 . A ATOM 14 C CG . ASN A 1 2 ? 74.191 45.200 42.956 1.0 18.77 ? 2 ASN A CG 1 2 . A ATOM 15 O OD1 . ASN A 1 2 ? 73.991 44.179 42.297 1.0 18.83 ? 2 ASN A OD1 1 2 . A ATOM 16 N ND2 . ASN A 1 2 ? 74.193 46.404 42.383 1.0 20.89 ? 2 ASN A ND2 1 2 . A ATOM 17 N N . ILE A 1 3 ? 71.491 43.335 44.667 1.0 14.27 ? 3 ILE A N 1 3 . A ATOM 18 C CA . ILE A 1 3 ? 70.050 43.443 44.577 1.0 12.99 ? 3 ILE A CA 1 3 . A ATOM 19 C C . ILE A 1 3 ? 69.338 42.292 45.293 1.0 13.24 ? 3 ILE A C 1 3 . A ATOM 20 O O . ILE A 1 3 ? 69.704 41.129 45.178 1.0 14.0 ? 3 ILE A O 1 3 . A ATOM 21 C CB . ILE A 1 3 ? 69.554 43.449 43.116 1.0 12.3 ? 3 ILE A CB 1 3 . A ATOM 22 C CG1 . ILE A 1 3 ? 70.180 44.583 42.307 1.0 11.42 ? 3 ILE A CG1 1 3 . A ATOM 23 C CG2 . ILE A 1 3 ? 68.034 43.554 43.069 1.0 10.9 ? 3 ILE A CG2 1 3 . A ATOM 24 C CD1 . ILE A 1 3 ? 70.026 44.412 40.809 1.0 11.77 ? 3 ILE A CD1 1 3 . A ATOM 25 N N . LEU A 1 4 ? 68.293 42.646 46.023 1.0 13.16 ? 4 LEU A N 1 4 . A ATOM 26 C CA . LEU A 1 4 ? 67.441 41.669 46.704 1.0 12.7 ? 4 LEU A CA 1 4 . A ATOM 27 C C . LEU A 1 4 ? 66.030 41.840 46.119 1.0 12.8 ? 4 LEU A C 1 4 . A ATOM 28 O O . LEU A 1 4 ? 65.405 42.883 46.323 1.0 13.29 ? 4 LEU A O 1 4 . A ATOM 29 C CB . LEU A 1 4 ? 67.455 41.868 48.200 1.0 13.22 ? 4 LEU A CB 1 4 . A ATOM 30 C CG . LEU A 1 4 ? 66.741 40.867 49.099 1.0 13.07 ? 4 LEU A CG 1 4 . A ATOM 31 C CD1 . LEU A 1 4 ? 67.239 39.449 48.876 1.0 12.65 ? 4 LEU A CD1 1 4 . A ATOM 32 C CD2 . LEU A 1 4 ? 66.907 41.264 50.564 1.0 14.2 ? 4 LEU A CD2 1 4 . A ATOM 33 N N . TYR A 1 5 ? 65.591 40.867 45.331 1.0 12.07 ? 5 TYR A N 1 5 . A ATOM 34 C CA . TYR A 1 5 ? 64.298 40.935 44.677 1.0 11.39 ? 5 TYR A CA 1 5 . A ATOM 35 C C . TYR A 1 5 ? 63.140 40.565 45.589 1.0 11.87 ? 5 TYR A C 1 5 . A ATOM 36 O O . TYR A 1 5 ? 63.266 39.697 46.453 1.0 11.94 ? 5 TYR A O 1 5 . A ATOM 37 C CB . TYR A 1 5 ? 64.278 39.992 43.455 1.0 11.28 ? 5 TYR A CB 1 5 . A ATOM 38 C CG . TYR A 1 5 ? 65.315 40.354 42.415 1.0 11.87 ? 5 TYR A CG 1 5 . A ATOM 39 C CD1 . TYR A 1 5 ? 66.610 39.860 42.509 1.0 12.15 ? 5 TYR A CD1 1 5 . A ATOM 40 C CD2 . TYR A 1 5 ? 65.011 41.209 41.364 1.0 12.14 ? 5 TYR A CD2 1 5 . A ATOM 41 C CE1 . TYR A 1 5 ? 67.574 40.203 41.574 1.0 12.31 ? 5 TYR A CE1 1 5 . A ATOM 42 C CE2 . TYR A 1 5 ? 65.966 41.554 40.424 1.0 12.3 ? 5 TYR A CE2 1 5 . A ATOM 43 C CZ . TYR A 1 5 ? 67.245 41.050 40.539 1.0 12.49 ? 5 TYR A CZ 1 5 . A ATOM 44 O OH . TYR A 1 5 ? 68.206 41.390 39.613 1.0 13.0 ? 5 TYR A OH 1 5 . A ATOM 45 N N . SER A 1 6 ? 61.988 41.204 45.362 1.0 12.01 ? 6 SER A N 1 6 . A ATOM 46 C CA . SER A 1 6 ? 60.796 40.867 46.159 1.0 12.56 ? 6 SER A CA 1 6 . A ATOM 47 C C . SER A 1 6 ? 60.573 39.359 46.024 1.0 12.87 ? 6 SER A C 1 6 . A ATOM 48 O O . SER A 1 6 ? 60.741 38.810 44.934 1.0 13.37 ? 6 SER A O 1 6 . A ATOM 49 C CB . SER A 1 6 ? 59.579 41.642 45.697 1.0 12.59 ? 6 SER A CB 1 6 . A ATOM 50 O OG . SER A 1 6 ? 59.367 41.503 44.304 1.0 13.71 ? 6 SER A OG 1 6 . A ATOM 51 N N . GLY A 1 7 ? 60.304 38.699 47.143 1.0 12.98 ? 7 GLY A N 1 7 . A ATOM 52 C CA . GLY A 1 7 ? 60.109 37.253 47.142 1.0 12.98 ? 7 GLY A CA 1 7 . A ATOM 53 C C . GLY A 1 7 ? 61.369 36.544 47.629 1.0 13.83 ? 7 GLY A C 1 7 . A ATOM 54 O O . GLY A 1 7 ? 61.341 35.353 47.930 1.0 14.63 ? 7 GLY A O 1 7 . A ATOM 55 N N . GLU A 1 8 ? 62.470 37.288 47.735 1.0 14.09 ? 8 GLU A N 1 8 . A ATOM 56 C CA . GLU A 1 8 ? 63.735 36.739 48.163 1.0 14.63 ? 8 GLU A CA 1 8 . A ATOM 57 C C . GLU A 1 8 ? 64.057 37.010 49.625 1.0 15.34 ? 8 GLU A C 1 8 . A ATOM 58 O O . GLU A 1 8 ? 63.632 37.989 50.229 1.0 14.41 ? 8 GLU A O 1 8 . A ATOM 59 C CB . GLU A 1 8 ? 64.881 37.232 47.269 1.0 15.06 ? 8 GLU A CB 1 8 . A ATOM 60 C CG . GLU A 1 8 ? 65.065 36.382 46.027 1.0 15.33 ? 8 GLU A CG 1 8 . A ATOM 61 C CD . GLU A 1 8 ? 66.052 36.950 45.039 1.0 16.74 ? 8 GLU A CD 1 8 . A ATOM 62 O OE1 . GLU A 1 8 ? 66.602 38.049 45.260 1.0 17.52 ? 8 GLU A OE1 1 8 . A ATOM 63 O OE2 . GLU A 1 8 ? 66.276 36.279 44.004 1.0 18.9 ? 8 GLU A OE2 1 8 . A ATOM 64 N N . THR A 1 9 ? 64.859 36.108 50.192 1.0 16.16 ? 9 THR A N 1 9 . A ATOM 65 C CA . THR A 1 9 ? 65.252 36.163 51.589 1.0 17.06 ? 9 THR A CA 1 9 . A ATOM 66 C C . THR A 1 9 ? 66.761 36.065 51.769 1.0 17.02 ? 9 THR A C 1 9 . A ATOM 67 O O . THR A 1 9 ? 67.446 35.347 51.037 1.0 18.29 ? 9 THR A O 1 9 . A ATOM 68 C CB . THR A 1 9 ? 64.594 34.968 52.336 1.0 18.36 ? 9 THR A CB 1 9 . A ATOM 69 O OG1 . THR A 1 9 ? 63.229 35.288 52.632 1.0 18.2 ? 9 THR A OG1 1 9 . A ATOM 70 C CG2 . THR A 1 9 ? 65.323 34.600 53.607 1.0 20.21 ? 9 THR A CG2 1 9 . A ATOM 71 N N . LEU A 1 10 ? 67.278 36.782 52.758 1.0 15.72 ? 10 LEU A N 1 10 . A ATOM 72 C CA . LEU A 1 10 ? 68.693 36.701 53.114 1.0 14.35 ? 10 LEU A CA 1 10 . A ATOM 73 C C . LEU A 1 10 ? 68.765 35.990 54.481 1.0 13.95 ? 10 LEU A C 1 10 . A ATOM 74 O O . LEU A 1 10 ? 68.248 36.548 55.451 1.0 14.24 ? 10 LEU A O 1 10 . A ATOM 75 C CB . LEU A 1 10 ? 69.336 38.067 53.240 1.0 12.93 ? 10 LEU A CB 1 10 . A ATOM 76 C CG . LEU A 1 10 ? 69.732 38.819 51.979 1.0 12.32 ? 10 LEU A CG 1 10 . A ATOM 77 C CD1 . LEU A 1 10 ? 70.496 40.091 52.341 1.0 11.94 ? 10 LEU A CD1 1 10 . A ATOM 78 C CD2 . LEU A 1 10 ? 70.554 37.950 51.044 1.0 12.38 ? 10 LEU A CD2 1 10 . A ATOM 79 N N . SER A 1 11 ? 69.313 34.790 54.522 1.0 13.72 ? 11 SER A N 1 11 . A ATOM 80 C CA . SER A 1 11 ? 69.424 34.084 55.803 1.0 13.67 ? 11 SER A CA 1 11 . A ATOM 81 C C . SER A 1 11 ? 70.529 34.725 56.641 1.0 14.55 ? 11 SER A C 1 11 . A ATOM 82 O O . SER A 1 11 ? 71.274 35.578 56.142 1.0 14.92 ? 11 SER A O 1 11 . A ATOM 83 C CB . SER A 1 11 ? 69.715 32.608 55.593 1.0 13.42 ? 11 SER A CB 1 11 . A ATOM 84 O OG . SER A 1 11 ? 68.651 31.977 54.905 1.0 16.1 ? 11 SER A OG 1 11 . A ATOM 85 N N . THR A 1 12 ? 70.622 34.325 57.900 1.0 14.89 ? 12 THR A N 1 12 . A ATOM 86 C CA . THR A 1 12 ? 71.659 34.868 58.778 1.0 16.12 ? 12 THR A CA 1 12 . A ATOM 87 C C . THR A 1 12 ? 73.035 34.643 58.163 1.0 15.37 ? 12 THR A C 1 12 . A ATOM 88 O O . THR A 1 12 ? 73.314 33.568 57.629 1.0 14.46 ? 12 THR A O 1 12 . A ATOM 89 C CB . THR A 1 12 ? 71.617 34.211 60.167 1.0 18.47 ? 12 THR A CB 1 12 . A ATOM 90 O OG1 . THR A 1 12 ? 70.723 33.083 60.123 1.0 22.86 ? 12 THR A OG1 1 12 . A ATOM 91 C CG2 . THR A 1 12 ? 71.156 35.204 61.209 1.0 19.03 ? 12 THR A CG2 1 12 . A ATOM 92 N N . GLY A 1 13 ? 73.865 35.677 58.189 1.0 14.68 ? 13 GLY A N 1 13 . A ATOM 93 C CA . GLY A 1 13 ? 75.202 35.618 57.636 1.0 14.25 ? 13 GLY A CA 1 13 . A ATOM 94 C C . GLY A 1 13 ? 75.235 35.932 56.149 1.0 14.22 ? 13 GLY A C 1 13 . A ATOM 95 O O . GLY A 1 13 ? 76.318 36.031 55.562 1.0 15.44 ? 13 GLY A O 1 13 . A ATOM 96 N N . GLU A 1 14 ? 74.068 36.050 55.524 1.0 13.11 ? 14 GLU A N 1 14 . A ATOM 97 C CA . GLU A 1 14 ? 73.999 36.352 54.093 1.0 11.56 ? 14 GLU A CA 1 14 . A ATOM 98 C C . GLU A 1 14 ? 73.924 37.856 53.915 1.0 10.69 ? 14 GLU A C 1 14 . A ATOM 99 O O . GLU A 1 14 ? 73.534 38.568 54.853 1.0 10.43 ? 14 GLU A O 1 14 . A ATOM 100 C CB . GLU A 1 14 ? 72.890 35.582 53.404 1.0 11.18 ? 14 GLU A CB 1 14 . A ATOM 101 C CG . GLU A 1 14 ? 73.210 34.102 53.237 1.0 10.96 ? 14 GLU A CG 1 14 . A ATOM 102 C CD . GLU A 1 14 ? 72.186 33.314 52.475 1.0 12.39 ? 14 GLU A CD 1 14 . A ATOM 103 O OE1 . GLU A 1 14 ? 71.029 33.763 52.331 1.0 12.99 ? 14 GLU A OE1 1 14 . A ATOM 104 O OE2 . GLU A 1 14 ? 72.521 32.196 51.999 1.0 13.97 ? 14 GLU A OE2 1 14 . A ATOM 105 N N . PHE A 1 15 ? 74.394 38.359 52.774 1.0 10.37 ? 15 PHE A N 1 15 . A ATOM 106 C CA . PHE A 1 15 ? 74.449 39.802 52.589 1.0 10.73 ? 15 PHE A CA 1 15 . A ATOM 107 C C . PHE A 1 15 ? 74.392 40.274 51.152 1.0 10.91 ? 15 PHE A C 1 15 . A ATOM 108 O O . PHE A 1 15 ? 74.527 39.518 50.197 1.0 11.67 ? 15 PHE A O 1 15 . A ATOM 109 C CB . PHE A 1 15 ? 75.832 40.280 53.165 1.0 10.08 ? 15 PHE A CB 1 15 . A ATOM 110 C CG . PHE A 1 15 ? 76.962 39.482 52.566 1.0 11.48 ? 15 PHE A CG 1 15 . A ATOM 111 C CD1 . PHE A 1 15 ? 77.517 39.840 51.350 1.0 11.73 ? 15 PHE A CD1 1 15 . A ATOM 112 C CD2 . PHE A 1 15 ? 77.438 38.346 53.205 1.0 11.93 ? 15 PHE A CD2 1 15 . A ATOM 113 C CE1 . PHE A 1 15 ? 78.521 39.088 50.778 1.0 12.47 ? 15 PHE A CE1 1 15 . A ATOM 114 C CE2 . PHE A 1 15 ? 78.445 37.590 52.643 1.0 12.8 ? 15 PHE A CE2 1 15 . A ATOM 115 C CZ . PHE A 1 15 ? 78.995 37.965 51.434 1.0 13.48 ? 15 PHE A CZ 1 15 . A ATOM 116 N N . LEU A 1 16 ? 74.208 41.586 51.016 1.0 10.87 ? 16 LEU A N 1 16 . A ATOM 117 C CA . LEU A 1 16 ? 74.273 42.263 49.725 1.0 11.11 ? 16 LEU A CA 1 16 . A ATOM 118 C C . LEU A 1 16 ? 75.646 42.974 49.755 1.0 12.07 ? 16 LEU A C 1 16 . A ATOM 119 O O . LEU A 1 16 ? 76.056 43.367 50.858 1.0 12.22 ? 16 LEU A O 1 16 . A ATOM 120 C CB . LEU A 1 16 ? 73.185 43.296 49.533 1.0 10.11 ? 16 LEU A CB 1 16 . A ATOM 121 C CG . LEU A 1 16 ? 71.738 42.811 49.446 1.0 9.72 ? 16 LEU A CG 1 16 . A ATOM 122 C CD1 . LEU A 1 16 ? 70.803 43.983 49.190 1.0 10.07 ? 16 LEU A CD1 1 16 . A ATOM 123 C CD2 . LEU A 1 16 ? 71.580 41.749 48.366 1.0 8.66 ? 16 LEU A CD2 1 16 . A ATOM 124 N N . ASN A 1 17 ? 76.317 43.053 48.628 1.0 12.55 ? 17 ASN A N 1 17 . A ATOM 125 C CA . ASN A 1 17 ? 77.627 43.703 48.630 1.0 13.56 ? 17 ASN A CA 1 17 . A ATOM 126 C C . ASN A 1 17 ? 77.855 44.511 47.362 1.0 13.73 ? 17 ASN A C 1 17 . A ATOM 127 O O . ASN A 1 17 ? 77.279 44.259 46.313 1.0 13.52 ? 17 ASN A O 1 17 . A ATOM 128 C CB . ASN A 1 17 ? 78.736 42.675 48.843 1.0 14.12 ? 17 ASN A CB 1 17 . A ATOM 129 C CG . ASN A 1 17 ? 78.955 41.760 47.661 1.0 15.71 ? 17 ASN A CG 1 17 . A ATOM 130 O OD1 . ASN A 1 17 ? 78.342 40.696 47.542 1.0 16.03 ? 17 ASN A OD1 1 17 . A ATOM 131 N ND2 . ASN A 1 17 ? 79.866 42.156 46.775 1.0 16.94 ? 17 ASN A ND2 1 17 . A ATOM 132 N N . TYR A 1 18 ? 78.702 45.519 47.483 1.0 14.1 ? 18 TYR A N 1 18 . A ATOM 133 C CA . TYR A 1 18 ? 79.107 46.384 46.404 1.0 14.1 ? 18 TYR A CA 1 18 . A ATOM 134 C C . TYR A 1 18 ? 80.346 47.171 46.870 1.0 13.65 ? 18 TYR A C 1 18 . A ATOM 135 O O . TYR A 1 18 ? 80.242 47.964 47.799 1.0 13.28 ? 18 TYR A O 1 18 . A ATOM 136 C CB . TYR A 1 18 ? 78.028 47.357 45.952 1.0 15.83 ? 18 TYR A CB 1 18 . A ATOM 137 C CG . TYR A 1 18 ? 78.407 48.108 44.686 1.0 17.39 ? 18 TYR A CG 1 18 . A ATOM 138 C CD1 . TYR A 1 18 ? 79.117 49.296 44.747 1.0 17.87 ? 18 TYR A CD1 1 18 . A ATOM 139 C CD2 . TYR A 1 18 ? 78.076 47.599 43.438 1.0 18.65 ? 18 TYR A CD2 1 18 . A ATOM 140 C CE1 . TYR A 1 18 ? 79.477 49.970 43.593 1.0 18.44 ? 18 TYR A CE1 1 18 . A ATOM 141 C CE2 . TYR A 1 18 ? 78.424 48.271 42.277 1.0 18.74 ? 18 TYR A CE2 1 18 . A ATOM 142 C CZ . TYR A 1 18 ? 79.123 49.454 42.365 1.0 18.93 ? 18 TYR A CZ 1 18 . A ATOM 143 O OH . TYR A 1 18 ? 79.463 50.133 41.217 1.0 20.04 ? 18 TYR A OH 1 18 . A ATOM 144 N N . GLY A 1 19 ? 81.472 46.888 46.234 1.0 13.39 ? 19 GLY A N 1 19 . A ATOM 145 C CA . GLY A 1 19 ? 82.722 47.550 46.611 1.0 13.32 ? 19 GLY A CA 1 19 . A ATOM 146 C C . GLY A 1 19 ? 83.058 47.216 48.067 1.0 13.58 ? 19 GLY A C 1 19 . A ATOM 147 O O . GLY A 1 19 ? 83.097 46.049 48.460 1.0 13.09 ? 19 GLY A O 1 19 . A ATOM 148 N N . SER A 1 20 ? 83.242 48.261 48.870 1.0 13.72 ? 20 SER A N 1 20 . A ATOM 149 C CA . SER A 1 20 ? 83.569 48.087 50.279 1.0 14.5 ? 20 SER A CA 1 20 . A ATOM 150 C C . SER A 1 20 ? 82.321 48.113 51.151 1.0 15.09 ? 20 SER A C 1 20 . A ATOM 151 O O . SER A 1 20 ? 82.429 48.130 52.378 1.0 16.27 ? 20 SER A O 1 20 . A ATOM 152 C CB . SER A 1 20 ? 84.527 49.195 50.734 1.0 13.79 ? 20 SER A CB 1 20 . A ATOM 153 O OG . SER A 1 20 ? 84.014 50.467 50.374 1.0 13.22 ? 20 SER A OG 1 20 . A ATOM 154 N N . PHE A 1 21 ? 81.151 48.157 50.529 1.0 14.69 ? 21 PHE A N 1 21 . A ATOM 155 C CA . PHE A 1 21 ? 79.890 48.195 51.246 1.0 14.2 ? 21 PHE A CA 1 21 . A ATOM 156 C C . PHE A 1 21 ? 79.314 46.787 51.396 1.0 13.92 ? 21 PHE A C 1 21 . A ATOM 157 O O . PHE A 1 21 ? 79.292 46.015 50.434 1.0 14.59 ? 21 PHE A O 1 21 . A ATOM 158 C CB . PHE A 1 21 ? 78.856 49.055 50.524 1.0 13.87 ? 21 PHE A CB 1 21 . A ATOM 159 C CG . PHE A 1 21 ? 79.330 50.372 50.000 1.0 14.41 ? 21 PHE A CG 1 21 . A ATOM 160 C CD1 . PHE A 1 21 ? 80.235 51.151 50.704 1.0 13.44 ? 21 PHE A CD1 1 21 . A ATOM 161 C CD2 . PHE A 1 21 ? 78.844 50.854 48.791 1.0 13.82 ? 21 PHE A CD2 1 21 . A ATOM 162 C CE1 . PHE A 1 21 ? 80.660 52.366 50.208 1.0 14.61 ? 21 PHE A CE1 1 21 . A ATOM 163 C CE2 . PHE A 1 21 ? 79.244 52.081 48.301 1.0 14.58 ? 21 PHE A CE2 1 21 . A ATOM 164 C CZ . PHE A 1 21 ? 80.160 52.836 49.009 1.0 14.73 ? 21 PHE A CZ 1 21 . A ATOM 165 N N . VAL A 1 22 ? 78.899 46.447 52.604 1.0 13.53 ? 22 VAL A N 1 22 . A ATOM 166 C CA . VAL A 1 22 ? 78.292 45.158 52.882 1.0 13.69 ? 22 VAL A CA 1 22 . A ATOM 167 C C . VAL A 1 22 ? 77.017 45.393 53.717 1.0 13.84 ? 22 VAL A C 1 22 . A ATOM 168 O O . VAL A 1 22 ? 77.052 46.084 54.734 1.0 13.73 ? 22 VAL A O 1 22 . A ATOM 169 C CB . VAL A 1 22 ? 79.180 44.156 53.611 1.0 14.99 ? 22 VAL A CB 1 22 . A ATOM 170 C CG1 . VAL A 1 22 ? 78.440 42.822 53.796 1.0 15.44 ? 22 VAL A CG1 1 22 . A ATOM 171 C CG2 . VAL A 1 22 ? 80.497 43.885 52.897 1.0 15.39 ? 22 VAL A CG2 1 22 . A ATOM 172 N N . PHE A 1 23 ? 75.916 44.862 53.224 1.0 12.9 ? 23 PHE A N 1 23 . A ATOM 173 C CA . PHE A 1 23 ? 74.625 44.972 53.933 1.0 12.03 ? 23 PHE A CA 1 23 . A ATOM 174 C C . PHE A 1 23 ? 74.320 43.556 54.432 1.0 11.46 ? 23 PHE A C 1 23 . A ATOM 175 O O . PHE A 1 23 ? 73.908 42.715 53.642 1.0 12.21 ? 23 PHE A O 1 23 . A ATOM 176 C CB . PHE A 1 23 ? 73.551 45.454 52.977 1.0 12.25 ? 23 PHE A CB 1 23 . A ATOM 177 C CG . PHE A 1 23 ? 72.253 45.857 53.611 1.0 11.85 ? 23 PHE A CG 1 23 . A ATOM 178 C CD1 . PHE A 1 23 ? 72.222 46.792 54.633 1.0 11.5 ? 23 PHE A CD1 1 23 . A ATOM 179 C CD2 . PHE A 1 23 ? 71.058 45.313 53.170 1.0 12.01 ? 23 PHE A CD2 1 23 . A ATOM 180 C CE1 . PHE A 1 23 ? 71.026 47.172 55.208 1.0 12.24 ? 23 PHE A CE1 1 23 . A ATOM 181 C CE2 . PHE A 1 23 ? 69.856 45.695 53.736 1.0 12.06 ? 23 PHE A CE2 1 23 . A ATOM 182 C CZ . PHE A 1 23 ? 69.842 46.620 54.762 1.0 11.68 ? 23 PHE A CZ 1 23 . A ATOM 183 N N . ILE A 1 24 ? 74.600 43.292 55.698 1.0 11.38 ? 24 ILE A N 1 24 . A ATOM 184 C CA . ILE A 1 24 ? 74.493 41.936 56.209 1.0 11.14 ? 24 ILE A CA 1 24 . A ATOM 185 C C . ILE A 1 24 ? 73.475 41.688 57.286 1.0 11.56 ? 24 ILE A C 1 24 . A ATOM 186 O O . ILE A 1 24 ? 73.262 42.463 58.213 1.0 11.79 ? 24 ILE A O 1 24 . A ATOM 187 C CB . ILE A 1 24 ? 75.905 41.508 56.701 1.0 10.61 ? 24 ILE A CB 1 24 . A ATOM 188 C CG1 . ILE A 1 24 ? 75.927 40.081 57.213 1.0 10.8 ? 24 ILE A CG1 1 24 . A ATOM 189 C CG2 . ILE A 1 24 ? 76.394 42.487 57.763 1.0 11.36 ? 24 ILE A CG2 1 24 . A ATOM 190 C CD1 . ILE A 1 24 ? 77.330 39.499 57.335 1.0 10.26 ? 24 ILE A CD1 1 24 . A ATOM 191 N N . MET A 1 25 ? 72.824 40.525 57.167 1.0 12.1 ? 25 MET A N 1 25 . A ATOM 192 C CA . MET A 1 25 ? 71.865 40.039 58.163 1.0 11.95 ? 25 MET A CA 1 25 . A ATOM 193 C C . MET A 1 25 ? 72.672 39.159 59.135 1.0 12.68 ? 25 MET A C 1 25 . A ATOM 194 O O . MET A 1 25 ? 72.866 37.977 58.871 1.0 13.2 ? 25 MET A O 1 25 . A ATOM 195 C CB . MET A 1 25 ? 70.783 39.211 57.489 1.0 10.58 ? 25 MET A CB 1 25 . A ATOM 196 C CG . MET A 1 25 ? 69.788 38.528 58.401 1.0 11.42 ? 25 MET A CG 1 25 . A ATOM 197 S SD . MET A 1 25 ? 68.561 39.649 59.099 1.0 10.57 ? 25 MET A SD 1 25 . A ATOM 198 C CE . MET A 1 25 ? 69.365 40.145 60.619 1.0 9.94 ? 25 MET A CE 1 25 . A ATOM 199 N N . GLN A 1 26 ? 73.197 39.767 60.187 1.0 13.57 ? 26 GLN A N 1 26 . A ATOM 200 C CA . GLN A 1 26 ? 74.031 39.084 61.153 1.0 14.68 ? 26 GLN A CA 1 26 . A ATOM 201 C C . GLN A 1 26 ? 73.319 38.020 61.968 1.0 16.24 ? 26 GLN A C 1 26 . A ATOM 202 O O . GLN A 1 26 ? 72.097 37.956 62.036 1.0 16.37 ? 26 GLN A O 1 26 . A ATOM 203 C CB . GLN A 1 26 ? 74.668 40.103 62.114 1.0 13.25 ? 26 GLN A CB 1 26 . A ATOM 204 C CG . GLN A 1 26 ? 75.367 41.244 61.410 1.0 13.57 ? 26 GLN A CG 1 26 . A ATOM 205 C CD . GLN A 1 26 ? 76.169 42.118 62.348 1.0 14.74 ? 26 GLN A CD 1 26 . A ATOM 206 O OE1 . GLN A 1 26 ? 77.144 42.746 61.924 1.0 16.5 ? 26 GLN A OE1 1 26 . A ATOM 207 N NE2 . GLN A 1 26 ? 75.768 42.188 63.612 1.0 13.95 ? 26 GLN A NE2 1 26 . A ATOM 208 N N . GLU A 1 27 ? 74.109 37.193 62.659 1.0 18.45 ? 27 GLU A N 1 27 . A ATOM 209 C CA . GLU A 1 27 ? 73.605 36.117 63.488 1.0 20.42 ? 27 GLU A CA 1 27 . A ATOM 210 C C . GLU A 1 27 ? 72.939 36.598 64.765 1.0 19.98 ? 27 GLU A C 1 27 . A ATOM 211 O O . GLU A 1 27 ? 72.094 35.889 65.331 1.0 20.29 ? 27 GLU A O 1 27 . A ATOM 212 C CB . GLU A 1 27 ? 74.727 35.125 63.830 1.0 24.63 ? 27 GLU A CB 1 27 . A ATOM 213 C CG . GLU A 1 27 ? 74.774 33.913 62.915 1.0 31.85 ? 27 GLU A CG 1 27 . A ATOM 214 C CD . GLU A 1 27 ? 73.601 32.972 63.103 1.0 35.48 ? 27 GLU A CD 1 27 . A ATOM 215 O OE1 . GLU A 1 27 ? 72.973 32.969 64.186 1.0 37.71 ? 27 GLU A OE1 1 27 . A ATOM 216 O OE2 . GLU A 1 27 ? 73.295 32.208 62.157 1.0 37.96 ? 27 GLU A OE2 1 27 . A ATOM 217 N N . ASP A 1 28 ? 73.274 37.805 65.214 1.0 18.27 ? 28 ASP A N 1 28 . A ATOM 218 C CA . ASP A 1 28 ? 72.695 38.377 66.415 1.0 17.46 ? 28 ASP A CA 1 28 . A ATOM 219 C C . ASP A 1 28 ? 71.399 39.129 66.148 1.0 17.35 ? 28 ASP A C 1 28 . A ATOM 220 O O . ASP A 1 28 ? 70.879 39.820 67.031 1.0 17.61 ? 28 ASP A O 1 28 . A ATOM 221 C CB . ASP A 1 28 ? 73.694 39.287 67.125 1.0 16.12 ? 28 ASP A CB 1 28 . A ATOM 222 C CG . ASP A 1 28 ? 74.058 40.542 66.382 1.0 16.18 ? 28 ASP A CG 1 28 . A ATOM 223 O OD1 . ASP A 1 28 ? 73.651 40.737 65.218 1.0 17.26 ? 28 ASP A OD1 1 28 . A ATOM 224 O OD2 . ASP A 1 28 ? 74.777 41.393 66.967 1.0 17.48 ? 28 ASP A OD2 1 28 . A ATOM 225 N N . CYS A 1 29 ? 70.880 39.058 64.935 1.0 16.71 ? 29 CYS A N 1 29 . A ATOM 226 C CA . CYS A 1 29 ? 69.671 39.681 64.495 1.0 15.86 ? 29 CYS A CA 1 29 . A ATOM 227 C C . CYS A 1 29 ? 69.783 41.164 64.197 1.0 15.12 ? 29 CYS A C 1 29 . A ATOM 228 O O . CYS A 1 29 ? 68.761 41.842 64.024 1.0 15.05 ? 29 CYS A O 1 29 . A ATOM 229 C CB . CYS A 1 29 ? 68.468 39.411 65.409 1.0 15.01 ? 29 CYS A CB 1 29 . A ATOM 230 S SG . CYS A 1 29 ? 67.890 37.708 65.282 1.0 18.13 ? 29 CYS A SG 1 29 . A ATOM 231 N N . ASN A 1 30 ? 71.003 41.663 64.104 1.0 14.62 ? 30 ASN A N 1 30 . A ATOM 232 C CA . ASN A 1 30 ? 71.222 43.068 63.750 1.0 14.53 ? 30 ASN A CA 1 30 . A ATOM 233 C C . ASN A 1 30 ? 71.478 43.131 62.240 1.0 14.57 ? 30 ASN A C 1 30 . A ATOM 234 O O . ASN A 1 30 ? 72.251 42.326 61.718 1.0 15.44 ? 30 ASN A O 1 30 . A ATOM 235 C CB . ASN A 1 30 ? 72.408 43.633 64.520 1.0 13.72 ? 30 ASN A CB 1 30 . A ATOM 236 C CG . ASN A 1 30 ? 72.355 45.136 64.665 1.0 13.9 ? 30 ASN A CG 1 30 . A ATOM 237 O OD1 . ASN A 1 30 ? 71.345 45.763 64.335 1.0 13.71 ? 30 ASN A OD1 1 30 . A ATOM 238 N ND2 . ASN A 1 30 ? 73.430 45.732 65.164 1.0 13.58 ? 30 ASN A ND2 1 30 . A ATOM 239 N N . LEU A 1 31 ? 70.757 43.998 61.554 1.0 14.47 ? 31 LEU A N 1 31 . A ATOM 240 C CA . LEU A 1 31 ? 70.945 44.168 60.100 1.0 13.43 ? 31 LEU A CA 1 31 . A ATOM 241 C C . LEU A 1 31 ? 71.804 45.426 59.940 1.0 12.92 ? 31 LEU A C 1 31 . A ATOM 242 O O . LEU A 1 31 ? 71.333 46.529 60.209 1.0 12.68 ? 31 LEU A O 1 31 . A ATOM 243 C CB . LEU A 1 31 ? 69.611 44.292 59.397 1.0 13.44 ? 31 LEU A CB 1 31 . A ATOM 244 C CG . LEU A 1 31 ? 69.595 44.688 57.924 1.0 14.19 ? 31 LEU A CG 1 31 . A ATOM 245 C CD1 . LEU A 1 31 ? 70.197 43.595 57.050 1.0 13.33 ? 31 LEU A CD1 1 31 . A ATOM 246 C CD2 . LEU A 1 31 ? 68.180 45.020 57.455 1.0 11.74 ? 31 LEU A CD2 1 31 . A ATOM 247 N N . VAL A 1 32 ? 73.089 45.227 59.635 1.0 12.21 ? 32 VAL A N 1 32 . A ATOM 248 C CA . VAL A 1 32 ? 74.022 46.332 59.551 1.0 10.88 ? 32 VAL A CA 1 32 . A ATOM 249 C C . VAL A 1 32 ? 74.573 46.612 58.161 1.0 10.91 ? 32 VAL A C 1 32 . A ATOM 250 O O . VAL A 1 32 ? 74.831 45.731 57.348 1.0 10.64 ? 32 VAL A O 1 32 . A ATOM 251 C CB . VAL A 1 32 ? 75.231 46.123 60.502 1.0 9.32 ? 32 VAL A CB 1 32 . A ATOM 252 C CG1 . VAL A 1 32 ? 76.027 47.412 60.648 1.0 8.29 ? 32 VAL A CG1 1 32 . A ATOM 253 C CG2 . VAL A 1 32 ? 74.779 45.623 61.861 1.0 9.76 ? 32 VAL A CG2 1 32 . A ATOM 254 N N . LEU A 1 33 ? 74.780 47.905 57.905 1.0 10.87 ? 33 LEU A N 1 33 . A ATOM 255 C CA . LEU A 1 33 ? 75.384 48.388 56.679 1.0 11.36 ? 33 LEU A CA 1 33 . A ATOM 256 C C . LEU A 1 33 ? 76.810 48.856 57.044 1.0 11.89 ? 33 LEU A C 1 33 . A ATOM 257 O O . LEU A 1 33 ? 76.966 49.786 57.827 1.0 11.58 ? 33 LEU A O 1 33 . A ATOM 258 C CB . LEU A 1 33 ? 74.629 49.548 56.046 1.0 11.22 ? 33 LEU A CB 1 33 . A ATOM 259 C CG . LEU A 1 33 ? 75.355 50.306 54.923 1.0 10.9 ? 33 LEU A CG 1 33 . A ATOM 260 C CD1 . LEU A 1 33 ? 75.559 49.420 53.707 1.0 10.08 ? 33 LEU A CD1 1 33 . A ATOM 261 C CD2 . LEU A 1 33 ? 74.588 51.566 54.550 1.0 11.4 ? 33 LEU A CD2 1 33 . A ATOM 262 N N . TYR A 1 34 ? 77.797 48.147 56.521 1.0 11.86 ? 34 TYR A N 1 34 . A ATOM 263 C CA . TYR A 1 34 ? 79.180 48.468 56.798 1.0 11.91 ? 34 TYR A CA 1 34 . A ATOM 264 C C . TYR A 1 34 ? 79.873 49.095 55.583 1.0 12.45 ? 34 TYR A C 1 34 . A ATOM 265 O O . TYR A 1 34 ? 79.614 48.717 54.444 1.0 12.93 ? 34 TYR A O 1 34 . A ATOM 266 C CB . TYR A 1 34 ? 79.963 47.184 57.133 1.0 11.55 ? 34 TYR A CB 1 34 . A ATOM 267 C CG . TYR A 1 34 ? 79.671 46.549 58.462 1.0 11.98 ? 34 TYR A CG 1 34 . A ATOM 268 C CD1 . TYR A 1 34 ? 80.286 47.002 59.624 1.0 12.26 ? 34 TYR A CD1 1 34 . A ATOM 269 C CD2 . TYR A 1 34 ? 78.834 45.444 58.564 1.0 12.68 ? 34 TYR A CD2 1 34 . A ATOM 270 C CE1 . TYR A 1 34 ? 80.040 46.407 60.848 1.0 12.26 ? 34 TYR A CE1 1 34 . A ATOM 271 C CE2 . TYR A 1 34 ? 78.574 44.846 59.782 1.0 13.19 ? 34 TYR A CE2 1 34 . A ATOM 272 C CZ . TYR A 1 34 ? 79.180 45.335 60.920 1.0 13.41 ? 34 TYR A CZ 1 34 . A ATOM 273 O OH . TYR A 1 34 ? 78.930 44.740 62.140 1.0 13.97 ? 34 TYR A OH 1 34 . A ATOM 274 N N . ASP A 1 35 ? 80.757 50.036 55.858 1.0 13.07 ? 35 ASP A N 1 35 . A ATOM 275 C CA . ASP A 1 35 ? 81.640 50.599 54.837 1.0 13.98 ? 35 ASP A CA 1 35 . A ATOM 276 C C . ASP A 1 35 ? 83.049 50.143 55.322 1.0 14.8 ? 35 ASP A C 1 35 . A ATOM 277 O O . ASP A 1 35 ? 83.614 50.729 56.231 1.0 14.41 ? 35 ASP A O 1 35 . A ATOM 278 C CB . ASP A 1 35 ? 81.582 52.085 54.675 1.0 15.01 ? 35 ASP A CB 1 35 . A ATOM 279 C CG . ASP A 1 35 ? 82.465 52.581 53.532 1.0 15.63 ? 35 ASP A CG 1 35 . A ATOM 280 O OD1 . ASP A 1 35 ? 83.177 51.749 52.928 1.0 16.63 ? 35 ASP A OD1 1 35 . A ATOM 281 O OD2 . ASP A 1 35 ? 82.441 53.792 53.245 1.0 17.15 ? 35 ASP A OD2 1 35 . A ATOM 282 N N . VAL A 1 36 ? 83.492 49.039 54.759 1.0 15.15 ? 36 VAL A N 1 36 . A ATOM 283 C CA . VAL A 1 36 ? 84.704 48.361 55.184 1.0 16.09 ? 36 VAL A CA 1 36 . A ATOM 284 C C . VAL A 1 36 ? 84.418 47.766 56.570 1.0 17.72 ? 36 VAL A C 1 36 . A ATOM 285 O O . VAL A 1 36 ? 83.498 46.943 56.691 1.0 17.54 ? 36 VAL A O 1 36 . A ATOM 286 C CB . VAL A 1 36 ? 85.990 49.153 55.151 1.0 15.11 ? 36 VAL A CB 1 36 . A ATOM 287 C CG1 . VAL A 1 36 ? 87.195 48.263 55.495 1.0 13.48 ? 36 VAL A CG1 1 36 . A ATOM 288 C CG2 . VAL A 1 36 ? 86.234 49.782 53.778 1.0 14.26 ? 36 VAL A CG2 1 36 . A ATOM 289 N N . ASP A 1 37 ? 85.094 48.224 57.604 1.0 19.63 ? 37 ASP A N 1 37 . A ATOM 290 C CA . ASP A 1 37 ? 84.868 47.710 58.952 1.0 20.68 ? 37 ASP A CA 1 37 . A ATOM 291 C C . ASP A 1 37 ? 84.016 48.662 59.778 1.0 20.97 ? 37 ASP A C 1 37 . A ATOM 292 O O . ASP A 1 37 ? 83.803 48.430 60.973 1.0 21.52 ? 37 ASP A O 1 37 . A ATOM 293 C CB . ASP A 1 37 ? 86.211 47.472 59.647 1.0 23.66 ? 37 ASP A CB 1 37 . A ATOM 294 C CG . ASP A 1 37 ? 86.992 48.747 59.896 1.0 26.49 ? 37 ASP A CG 1 37 . A ATOM 295 O OD1 . ASP A 1 37 ? 86.992 49.647 59.029 1.0 27.83 ? 37 ASP A OD1 1 37 . A ATOM 296 O OD2 . ASP A 1 37 ? 87.625 48.860 60.971 1.0 27.98 ? 37 ASP A OD2 1 37 . A ATOM 297 N N . LYS A 1 38 ? 83.524 49.732 59.160 1.0 20.81 ? 38 LYS A N 1 38 . A ATOM 298 C CA . LYS A 1 38 ? 82.732 50.720 59.866 1.0 21.98 ? 38 LYS A CA 1 38 . A ATOM 299 C C . LYS A 1 38 ? 81.239 50.643 59.601 1.0 21.75 ? 38 LYS A C 1 38 . A ATOM 300 O O . LYS A 1 38 ? 80.772 50.832 58.479 1.0 21.56 ? 38 LYS A O 1 38 . A ATOM 301 C CB . LYS A 1 38 ? 83.232 52.134 59.515 1.0 24.48 ? 38 LYS A CB 1 38 . A ATOM 302 C CG . LYS A 1 38 ? 82.688 53.197 60.459 1.0 30.15 ? 38 LYS A CG 1 38 . A ATOM 303 C CD . LYS A 1 38 ? 83.066 54.595 59.982 1.0 34.76 ? 38 LYS A CD 1 38 . A ATOM 304 C CE . LYS A 1 38 ? 82.177 55.640 60.652 1.0 37.47 ? 38 LYS A CE 1 38 . A ATOM 305 N NZ . LYS A 1 38 ? 81.778 56.705 59.684 1.0 39.64 ? 38 LYS A NZ 1 38 . A ATOM 306 N N . PRO A 1 39 ? 80.465 50.420 60.661 1.0 21.53 ? 39 PRO A N 1 39 . A ATOM 307 C CA . PRO A 1 39 ? 79.016 50.367 60.577 1.0 21.46 ? 39 PRO A CA 1 39 . A ATOM 308 C C . PRO A 1 39 ? 78.449 51.753 60.296 1.0 21.04 ? 39 PRO A C 1 39 . A ATOM 309 O O . PRO A 1 39 ? 78.662 52.696 61.056 1.0 21.82 ? 39 PRO A O 1 39 . A ATOM 310 C CB . PRO A 1 39 ? 78.577 49.837 61.924 1.0 21.73 ? 39 PRO A CB 1 39 . A ATOM 311 C CG . PRO A 1 39 ? 79.694 50.088 62.860 1.0 21.89 ? 39 PRO A CG 1 39 . A ATOM 312 C CD . PRO A 1 39 ? 80.947 50.212 62.043 1.0 22.26 ? 39 PRO A CD 1 39 . A ATOM 313 N N . ILE A 1 40 ? 77.769 51.894 59.169 1.0 20.2 ? 40 ILE A N 1 40 . A ATOM 314 C CA . ILE A 1 40 ? 77.193 53.159 58.743 1.0 19.26 ? 40 ILE A CA 1 40 . A ATOM 315 C C . ILE A 1 40 ? 75.726 53.269 59.136 1.0 18.81 ? 40 ILE A C 1 40 . A ATOM 316 O O . ILE A 1 40 ? 75.195 54.368 59.304 1.0 19.98 ? 40 ILE A O 1 40 . A ATOM 317 C CB . ILE A 1 40 ? 77.307 53.281 57.201 1.0 18.76 ? 40 ILE A CB 1 40 . A ATOM 318 C CG1 . ILE A 1 40 ? 78.747 53.026 56.760 1.0 18.95 ? 40 ILE A CG1 1 40 . A ATOM 319 C CG2 . ILE A 1 40 ? 76.823 54.635 56.729 1.0 20.59 ? 40 ILE A CG2 1 40 . A ATOM 320 C CD1 . ILE A 1 40 ? 79.765 53.942 57.410 1.0 17.32 ? 40 ILE A CD1 1 40 . A ATOM 321 N N . TRP A 1 41 ? 75.062 52.130 59.268 1.0 16.85 ? 41 TRP A N 1 41 . A ATOM 322 C CA . TRP A 1 41 ? 73.635 52.103 59.618 1.0 15.12 ? 41 TRP A CA 1 41 . A ATOM 323 C C . TRP A 1 41 ? 73.287 50.726 60.174 1.0 14.94 ? 41 TRP A C 1 41 . A ATOM 324 O O . TRP A 1 41 ? 73.938 49.734 59.827 1.0 14.49 ? 41 TRP A O 1 41 . A ATOM 325 C CB . TRP A 1 41 ? 72.814 52.441 58.382 1.0 14.25 ? 41 TRP A CB 1 41 . A ATOM 326 C CG . TRP A 1 41 ? 71.328 52.451 58.502 1.0 13.51 ? 41 TRP A CG 1 41 . A ATOM 327 C CD1 . TRP A 1 41 ? 70.529 53.549 58.690 1.0 12.55 ? 41 TRP A CD1 1 41 . A ATOM 328 C CD2 . TRP A 1 41 ? 70.435 51.332 58.388 1.0 12.18 ? 41 TRP A CD2 1 41 . A ATOM 329 N NE1 . TRP A 1 41 ? 69.210 53.174 58.739 1.0 11.9 ? 41 TRP A NE1 1 41 . A ATOM 330 C CE2 . TRP A 1 41 ? 69.125 51.818 58.557 1.0 12.0 ? 41 TRP A CE2 1 41 . A ATOM 331 C CE3 . TRP A 1 41 ? 70.625 49.961 58.185 1.0 11.28 ? 41 TRP A CE3 1 41 . A ATOM 332 C CZ2 . TRP A 1 41 ? 68.007 50.986 58.517 1.0 10.92 ? 41 TRP A CZ2 1 41 . A ATOM 333 C CZ3 . TRP A 1 41 ? 69.518 49.136 58.149 1.0 11.23 ? 41 TRP A CZ3 1 41 . A ATOM 334 C CH2 . TRP A 1 41 ? 68.220 49.652 58.309 1.0 11.05 ? 41 TRP A CH2 1 41 . A ATOM 335 N N . ALA A 1 42 ? 72.305 50.664 61.060 1.0 14.49 ? 42 ALA A N 1 42 . A ATOM 336 C CA . ALA A 1 42 ? 71.871 49.389 61.632 1.0 15.39 ? 42 ALA A CA 1 42 . A ATOM 337 C C . ALA A 1 42 ? 70.408 49.487 62.055 1.0 15.75 ? 42 ALA A C 1 42 . A ATOM 338 O O . ALA A 1 42 ? 69.938 50.580 62.366 1.0 15.66 ? 42 ALA A O 1 42 . A ATOM 339 C CB . ALA A 1 42 ? 72.734 49.008 62.822 1.0 13.49 ? 42 ALA A CB 1 42 . A ATOM 340 N N . THR A 1 43 ? 69.713 48.356 62.103 1.0 16.33 ? 43 THR A N 1 43 . A ATOM 341 C CA . THR A 1 43 ? 68.319 48.354 62.553 1.0 17.07 ? 43 THR A CA 1 43 . A ATOM 342 C C . THR A 1 43 ? 68.289 48.401 64.085 1.0 18.33 ? 43 THR A C 1 43 . A ATOM 343 O O . THR A 1 43 ? 67.274 48.682 64.701 1.0 18.96 ? 43 THR A O 1 43 . A ATOM 344 C CB . THR A 1 43 ? 67.548 47.109 62.095 1.0 15.79 ? 43 THR A CB 1 43 . A ATOM 345 O OG1 . THR A 1 43 ? 68.247 45.936 62.541 1.0 15.28 ? 43 THR A OG1 1 43 . A ATOM 346 C CG2 . THR A 1 43 ? 67.406 47.061 60.586 1.0 14.62 ? 43 THR A CG2 1 43 . A ATOM 347 N N . ASN A 1 44 ? 69.430 48.090 64.696 1.0 18.89 ? 44 ASN A N 1 44 . A ATOM 348 C CA . ASN A 1 44 ? 69.631 48.093 66.120 1.0 18.53 ? 44 ASN A CA 1 44 . A ATOM 349 C C . ASN A 1 44 ? 68.843 47.022 66.852 1.0 17.71 ? 44 ASN A C 1 44 . A ATOM 350 O O . ASN A 1 44 ? 68.367 47.230 67.969 1.0 17.7 ? 44 ASN A O 1 44 . A ATOM 351 C CB . ASN A 1 44 ? 69.354 49.479 66.721 1.0 19.62 ? 44 ASN A CB 1 44 . A ATOM 352 C CG . ASN A 1 44 ? 70.306 50.522 66.155 1.0 20.44 ? 44 ASN A CG 1 44 . A ATOM 353 O OD1 . ASN A 1 44 ? 71.488 50.248 65.959 1.0 20.93 ? 44 ASN A OD1 1 44 . A ATOM 354 N ND2 . ASN A 1 44 ? 69.774 51.696 65.850 1.0 21.85 ? 44 ASN A ND2 1 44 . A ATOM 355 N N . THR A 1 45 ? 68.739 45.848 66.241 1.0 16.75 ? 45 THR A N 1 45 . A ATOM 356 C CA . THR A 1 45 ? 68.006 44.733 66.831 1.0 16.32 ? 45 THR A CA 1 45 . A ATOM 357 C C . THR A 1 45 ? 68.950 43.648 67.331 1.0 16.26 ? 45 THR A C 1 45 . A ATOM 358 O O . THR A 1 45 ? 68.537 42.503 67.540 1.0 15.28 ? 45 THR A O 1 45 . A ATOM 359 C CB . THR A 1 45 ? 67.035 44.135 65.788 1.0 16.4 ? 45 THR A CB 1 45 . A ATOM 360 O OG1 . THR A 1 45 ? 67.718 44.024 64.532 1.0 15.02 ? 45 THR A OG1 1 45 . A ATOM 361 C CG2 . THR A 1 45 ? 65.821 45.038 65.613 1.0 16.13 ? 45 THR A CG2 1 45 . A ATOM 362 N N . GLY A 1 46 ? 70.217 44.001 67.530 1.0 15.76 ? 46 GLY A N 1 46 . A ATOM 363 C CA . GLY A 1 46 ? 71.212 43.043 67.989 1.0 17.0 ? 46 GLY A CA 1 46 . A ATOM 364 C C . GLY A 1 46 ? 70.856 42.469 69.351 1.0 17.9 ? 46 GLY A C 1 46 . A ATOM 365 O O . GLY A 1 46 ? 70.556 43.214 70.289 1.0 19.33 ? 46 GLY A O 1 46 . A ATOM 366 N N . GLY A 1 47 ? 70.861 41.146 69.475 1.0 18.33 ? 47 GLY A N 1 47 . A ATOM 367 C CA . GLY A 1 47 ? 70.564 40.484 70.723 1.0 19.14 ? 47 GLY A CA 1 47 . A ATOM 368 C C . GLY A 1 47 ? 69.104 40.210 70.975 1.0 20.77 ? 47 GLY A C 1 47 . A ATOM 369 O O . GLY A 1 47 ? 68.766 39.525 71.960 1.0 21.25 ? 47 GLY A O 1 47 . A ATOM 370 N N . LEU A 1 48 ? 68.200 40.650 70.098 1.0 20.71 ? 48 LEU A N 1 48 . A ATOM 371 C CA . LEU A 1 48 ? 66.776 40.415 70.273 1.0 20.55 ? 48 LEU A CA 1 48 . A ATOM 372 C C . LEU A 1 48 ? 66.386 38.983 69.934 1.0 21.08 ? 48 LEU A C 1 48 . A ATOM 373 O O . LEU A 1 48 ? 65.250 38.569 70.179 1.0 22.46 ? 48 LEU A O 1 48 . A ATOM 374 C CB . LEU A 1 48 ? 65.938 41.376 69.434 1.0 18.93 ? 48 LEU A CB 1 48 . A ATOM 375 C CG . LEU A 1 48 ? 66.192 42.867 69.626 1.0 20.25 ? 48 LEU A CG 1 48 . A ATOM 376 C CD1 . LEU A 1 48 ? 65.130 43.687 68.906 1.0 19.19 ? 48 LEU A CD1 1 48 . A ATOM 377 C CD2 . LEU A 1 48 ? 66.261 43.231 71.100 1.0 20.31 ? 48 LEU A CD2 1 48 . A ATOM 378 N N . SER A 1 49 ? 67.299 38.246 69.331 1.0 20.57 ? 49 SER A N 1 49 . A ATOM 379 C CA . SER A 1 49 ? 67.055 36.857 68.957 1.0 20.73 ? 49 SER A CA 1 49 . A ATOM 380 C C . SER A 1 49 ? 68.320 36.295 68.314 1.0 21.05 ? 49 SER A C 1 49 . A ATOM 381 O O . SER A 1 49 ? 69.396 36.894 68.440 1.0 21.28 ? 49 SER A O 1 49 . A ATOM 382 C CB . SER A 1 49 ? 65.858 36.771 68.018 1.0 20.31 ? 49 SER A CB 1 49 . A ATOM 383 O OG . SER A 1 49 ? 65.399 35.444 67.863 1.0 22.2 ? 49 SER A OG 1 49 . A ATOM 384 N N . ARG A 1 50 ? 68.192 35.204 67.584 1.0 21.34 ? 50 ARG A N 1 50 . A ATOM 385 C CA . ARG A 1 50 ? 69.309 34.572 66.902 1.0 22.27 ? 50 ARG A CA 1 50 . A ATOM 386 C C . ARG A 1 50 ? 68.832 33.960 65.585 1.0 22.47 ? 50 ARG A C 1 50 . A ATOM 387 O O . ARG A 1 50 ? 67.666 33.576 65.475 1.0 22.07 ? 50 ARG A O 1 50 . A ATOM 388 C CB . ARG A 1 50 ? 69.902 33.452 67.770 1.0 24.58 ? 50 ARG A CB 1 50 . A ATOM 389 C CG . ARG A 1 50 ? 70.988 33.906 68.727 1.0 28.61 ? 50 ARG A CG 1 50 . A ATOM 390 C CD . ARG A 1 50 ? 72.351 33.891 68.061 1.0 32.51 ? 50 ARG A CD 1 50 . A ATOM 391 N NE . ARG A 1 50 ? 73.147 35.062 68.398 1.0 36.5 ? 50 ARG A NE 1 50 . A ATOM 392 C CZ . ARG A 1 50 ? 74.422 35.221 68.062 1.0 38.69 ? 50 ARG A CZ 1 50 . A ATOM 393 N NH1 . ARG A 1 50 ? 75.074 34.285 67.382 1.0 40.05 ? 50 ARG A NH1 1 50 . A ATOM 394 N NH2 . ARG A 1 50 ? 75.054 36.337 68.402 1.0 40.64 ? 50 ARG A NH2 1 50 . A ATOM 395 N N . SER A 1 51 ? 69.714 33.891 64.599 1.0 22.36 ? 51 SER A N 1 51 . A ATOM 396 C CA . SER A 1 51 ? 69.390 33.287 63.319 1.0 22.44 ? 51 SER A CA 1 51 . A ATOM 397 C C . SER A 1 51 ? 68.188 33.898 62.627 1.0 21.31 ? 51 SER A C 1 51 . A ATOM 398 O O . SER A 1 51 ? 67.368 33.199 62.016 1.0 21.21 ? 51 SER A O 1 51 . A ATOM 399 C CB . SER A 1 51 ? 69.203 31.770 63.501 1.0 24.39 ? 51 SER A CB 1 51 . A ATOM 400 O OG . SER A 1 51 ? 70.435 31.193 63.919 1.0 28.43 ? 51 SER A OG 1 51 . A ATOM 401 N N . CYS A 1 52 ? 68.123 35.231 62.633 1.0 19.51 ? 52 CYS A N 1 52 . A ATOM 402 C CA . CYS A 1 52 ? 67.048 35.947 61.967 1.0 18.3 ? 52 CYS A CA 1 52 . A ATOM 403 C C . CYS A 1 52 ? 67.244 35.887 60.448 1.0 18.06 ? 52 CYS A C 1 52 . A ATOM 404 O O . CYS A 1 52 ? 68.320 35.532 59.975 1.0 17.89 ? 52 CYS A O 1 52 . A ATOM 405 C CB . CYS A 1 52 ? 67.036 37.418 62.392 1.0 17.65 ? 52 CYS A CB 1 52 . A ATOM 406 S SG . CYS A 1 52 ? 66.325 37.728 64.022 1.0 18.12 ? 52 CYS A SG 1 52 . A ATOM 407 N N . PHE A 1 53 ? 66.202 36.248 59.713 1.0 17.97 ? 53 PHE A N 1 53 . A ATOM 408 C CA . PHE A 1 53 ? 66.278 36.296 58.260 1.0 17.86 ? 53 PHE A CA 1 53 . A ATOM 409 C C . PHE A 1 53 ? 65.674 37.606 57.755 1.0 16.36 ? 53 PHE A C 1 53 . A ATOM 410 O O . PHE A 1 53 ? 64.825 38.202 58.417 1.0 16.13 ? 53 PHE A O 1 53 . A ATOM 411 C CB . PHE A 1 53 ? 65.684 35.094 57.586 1.0 22.02 ? 53 PHE A CB 1 53 . A ATOM 412 C CG . PHE A 1 53 ? 64.316 34.662 57.993 1.0 27.59 ? 53 PHE A CG 1 53 . A ATOM 413 C CD1 . PHE A 1 53 ? 64.121 33.895 59.134 1.0 29.9 ? 53 PHE A CD1 1 53 . A ATOM 414 C CD2 . PHE A 1 53 ? 63.213 34.966 57.205 1.0 30.18 ? 53 PHE A CD2 1 53 . A ATOM 415 C CE1 . PHE A 1 53 ? 62.858 33.471 59.500 1.0 30.75 ? 53 PHE A CE1 1 53 . A ATOM 416 C CE2 . PHE A 1 53 ? 61.946 34.538 57.559 1.0 32.11 ? 53 PHE A CE2 1 53 . A ATOM 417 C CZ . PHE A 1 53 ? 61.770 33.791 58.710 1.0 32.41 ? 53 PHE A CZ 1 53 . A ATOM 418 N N . LEU A 1 54 ? 66.169 38.076 56.620 1.0 14.95 ? 54 LEU A N 1 54 . A ATOM 419 C CA . LEU A 1 54 ? 65.689 39.316 56.025 1.0 13.73 ? 54 LEU A CA 1 54 . A ATOM 420 C C . LEU A 1 54 ? 64.838 38.996 54.797 1.0 13.68 ? 54 LEU A C 1 54 . A ATOM 421 O O . LEU A 1 54 ? 65.282 38.269 53.909 1.0 14.05 ? 54 LEU A O 1 54 . A ATOM 422 C CB . LEU A 1 54 ? 66.847 40.234 55.639 1.0 12.13 ? 54 LEU A CB 1 54 . A ATOM 423 C CG . LEU A 1 54 ? 66.454 41.515 54.891 1.0 11.94 ? 54 LEU A CG 1 54 . A ATOM 424 C CD1 . LEU A 1 54 ? 65.696 42.456 55.813 1.0 11.15 ? 54 LEU A CD1 1 54 . A ATOM 425 C CD2 . LEU A 1 54 ? 67.677 42.195 54.295 1.0 12.19 ? 54 LEU A CD2 1 54 . A ATOM 426 N N . SER A 1 55 ? 63.629 39.544 54.755 1.0 13.38 ? 55 SER A N 1 55 . A ATOM 427 C CA . SER A 1 55 ? 62.728 39.258 53.651 1.0 13.99 ? 55 SER A CA 1 55 . A ATOM 428 C C . SER A 1 55 ? 62.252 40.475 52.891 1.0 13.62 ? 55 SER A C 1 55 . A ATOM 429 O O . SER A 1 55 ? 61.695 41.410 53.468 1.0 13.6 ? 55 SER A O 1 55 . A ATOM 430 C CB . SER A 1 55 ? 61.517 38.483 54.217 1.0 15.57 ? 55 SER A CB 1 55 . A ATOM 431 O OG . SER A 1 55 ? 60.735 37.968 53.162 1.0 20.05 ? 55 SER A OG 1 55 . A ATOM 432 N N . MET A 1 56 ? 62.496 40.479 51.580 1.0 13.64 ? 56 MET A N 1 56 . A ATOM 433 C CA . MET A 1 56 ? 61.982 41.563 50.719 1.0 14.09 ? 56 MET A CA 1 56 . A ATOM 434 C C . MET A 1 56 ? 60.649 41.029 50.165 1.0 15.03 ? 56 MET A C 1 56 . A ATOM 435 O O . MET A 1 56 ? 60.664 40.138 49.315 1.0 15.38 ? 56 MET A O 1 56 . A ATOM 436 C CB . MET A 1 56 ? 62.937 41.892 49.599 1.0 13.55 ? 56 MET A CB 1 56 . A ATOM 437 C CG . MET A 1 56 ? 62.457 42.891 48.570 1.0 11.59 ? 56 MET A CG 1 56 . A ATOM 438 S SD . MET A 1 56 ? 62.282 44.566 49.190 1.0 13.17 ? 56 MET A SD 1 56 . A ATOM 439 C CE . MET A 1 56 ? 60.521 44.796 49.158 1.0 11.84 ? 56 MET A CE 1 56 . A ATOM 440 N N . GLN A 1 57 ? 59.540 41.495 50.719 1.0 15.65 ? 57 GLN A N 1 57 . A ATOM 441 C CA . GLN A 1 57 ? 58.235 40.977 50.340 1.0 16.73 ? 57 GLN A CA 1 57 . A ATOM 442 C C . GLN A 1 57 ? 57.634 41.560 49.091 1.0 16.94 ? 57 GLN A C 1 57 . A ATOM 443 O O . GLN A 1 57 ? 58.017 42.612 48.586 1.0 16.57 ? 57 GLN A O 1 57 . A ATOM 444 C CB . GLN A 1 57 ? 57.264 41.105 51.534 1.0 17.63 ? 57 GLN A CB 1 57 . A ATOM 445 C CG . GLN A 1 57 ? 57.814 40.392 52.770 1.0 20.57 ? 57 GLN A CG 1 57 . A ATOM 446 C CD . GLN A 1 57 ? 56.930 40.506 53.985 1.0 21.39 ? 57 GLN A CD 1 57 . A ATOM 447 O OE1 . GLN A 1 57 ? 56.051 41.364 54.074 1.0 21.34 ? 57 GLN A OE1 1 57 . A ATOM 448 N NE2 . GLN A 1 57 ? 57.160 39.626 54.961 1.0 20.47 ? 57 GLN A NE2 1 57 . A ATOM 449 N N . THR A 1 58 ? 56.599 40.874 48.581 1.0 17.82 ? 58 THR A N 1 58 . A ATOM 450 C CA . THR A 1 58 ? 55.900 41.293 47.375 1.0 18.58 ? 58 THR A CA 1 58 . A ATOM 451 C C . THR A 1 58 ? 54.941 42.440 47.640 1.0 18.49 ? 58 THR A C 1 58 . A ATOM 452 O O . THR A 1 58 ? 54.436 43.075 46.709 1.0 18.71 ? 58 THR A O 1 58 . A ATOM 453 C CB . THR A 1 58 ? 55.158 40.121 46.711 1.0 19.9 ? 58 THR A CB 1 58 . A ATOM 454 O OG1 . THR A 1 58 ? 54.239 39.535 47.645 1.0 22.56 ? 58 THR A OG1 1 58 . A ATOM 455 C CG2 . THR A 1 58 ? 56.148 39.047 46.272 1.0 18.4 ? 58 THR A CG2 1 58 . A ATOM 456 N N . ASP A 1 59 ? 54.715 42.755 48.914 1.0 18.13 ? 59 ASP A N 1 59 . A ATOM 457 C CA . ASP A 1 59 ? 53.862 43.868 49.298 1.0 17.87 ? 59 ASP A CA 1 59 . A ATOM 458 C C . ASP A 1 59 ? 54.692 45.130 49.513 1.0 17.57 ? 59 ASP A C 1 59 . A ATOM 459 O O . ASP A 1 59 ? 54.183 46.142 49.985 1.0 17.93 ? 59 ASP A O 1 59 . A ATOM 460 C CB . ASP A 1 59 ? 53.040 43.543 50.536 1.0 18.11 ? 59 ASP A CB 1 59 . A ATOM 461 C CG . ASP A 1 59 ? 53.850 43.452 51.808 1.0 19.48 ? 59 ASP A CG 1 59 . A ATOM 462 O OD1 . ASP A 1 59 ? 55.092 43.344 51.737 1.0 19.61 ? 59 ASP A OD1 1 59 . A ATOM 463 O OD2 . ASP A 1 59 ? 53.246 43.493 52.903 1.0 20.26 ? 59 ASP A OD2 1 59 . A ATOM 464 N N . GLY A 1 60 ? 55.991 45.064 49.214 1.0 17.1 ? 60 GLY A N 1 60 . A ATOM 465 C CA . GLY A 1 60 ? 56.888 46.183 49.341 1.0 15.6 ? 60 GLY A CA 1 60 . A ATOM 466 C C . GLY A 1 60 ? 57.535 46.346 50.698 1.0 15.19 ? 60 GLY A C 1 60 . A ATOM 467 O O . GLY A 1 60 ? 58.354 47.259 50.897 1.0 14.42 ? 60 GLY A O 1 60 . A ATOM 468 N N . ASN A 1 61 ? 57.205 45.479 51.651 1.0 14.55 ? 61 ASN A N 1 61 . A ATOM 469 C CA . ASN A 1 61 ? 57.751 45.555 52.992 1.0 13.67 ? 61 ASN A CA 1 61 . A ATOM 470 C C . ASN A 1 61 ? 59.066 44.791 53.126 1.0 13.52 ? 61 ASN A C 1 61 . A ATOM 471 O O . ASN A 1 61 ? 59.178 43.647 52.695 1.0 13.72 ? 61 ASN A O 1 61 . A ATOM 472 C CB . ASN A 1 61 ? 56.747 44.998 54.010 1.0 12.47 ? 61 ASN A CB 1 61 . A ATOM 473 C CG . ASN A 1 61 ? 56.764 45.757 55.318 1.0 13.45 ? 61 ASN A CG 1 61 . A ATOM 474 O OD1 . ASN A 1 61 ? 57.519 46.719 55.494 1.0 13.32 ? 61 ASN A OD1 1 61 . A ATOM 475 N ND2 . ASN A 1 61 ? 55.905 45.349 56.247 1.0 12.2 ? 61 ASN A ND2 1 61 . A ATOM 476 N N . LEU A 1 62 ? 60.048 45.446 53.736 1.0 12.66 ? 62 LEU A N 1 62 . A ATOM 477 C CA . LEU A 1 62 ? 61.350 44.795 53.989 1.0 11.29 ? 62 LEU A CA 1 62 . A ATOM 478 C C . LEU A 1 62 ? 61.345 44.410 55.469 1.0 10.83 ? 62 LEU A C 1 62 . A ATOM 479 O O . LEU A 1 62 ? 61.263 45.299 56.322 1.0 11.28 ? 62 LEU A O 1 62 . A ATOM 480 C CB . LEU A 1 62 ? 62.482 45.743 53.646 1.0 9.58 ? 62 LEU A CB 1 62 . A ATOM 481 C CG . LEU A 1 62 ? 63.910 45.203 53.754 1.0 9.23 ? 62 LEU A CG 1 62 . A ATOM 482 C CD1 . LEU A 1 62 ? 64.172 44.160 52.678 1.0 9.02 ? 62 LEU A CD1 1 62 . A ATOM 483 C CD2 . LEU A 1 62 ? 64.911 46.343 53.665 1.0 8.78 ? 62 LEU A CD2 1 62 . A ATOM 484 N N . VAL A 1 63 ? 61.282 43.115 55.770 1.0 10.55 ? 63 VAL A N 1 63 . A ATOM 485 C CA . VAL A 1 63 ? 61.149 42.668 57.144 1.0 10.41 ? 63 VAL A CA 1 63 . A ATOM 486 C C . VAL A 1 63 ? 62.234 41.747 57.666 1.0 10.53 ? 63 VAL A C 1 63 . A ATOM 487 O O . VAL A 1 63 ? 62.684 40.818 57.003 1.0 11.32 ? 63 VAL A O 1 63 . A ATOM 488 C CB . VAL A 1 63 ? 59.797 41.905 57.323 1.0 9.58 ? 63 VAL A CB 1 63 . A ATOM 489 C CG1 . VAL A 1 63 ? 59.526 41.656 58.798 1.0 8.27 ? 63 VAL A CG1 1 63 . A ATOM 490 C CG2 . VAL A 1 63 ? 58.642 42.665 56.695 1.0 10.04 ? 63 VAL A CG2 1 63 . A ATOM 491 N N . VAL A 1 64 ? 62.604 41.957 58.928 1.0 10.7 ? 64 VAL A N 1 64 . A ATOM 492 C CA . VAL A 1 64 ? 63.553 41.092 59.630 1.0 11.22 ? 64 VAL A CA 1 64 . A ATOM 493 C C . VAL A 1 64 ? 62.734 40.130 60.510 1.0 12.47 ? 64 VAL A C 1 64 . A ATOM 494 O O . VAL A 1 64 ? 62.017 40.592 61.407 1.0 12.76 ? 64 VAL A O 1 64 . A ATOM 495 C CB . VAL A 1 64 ? 64.509 41.892 60.525 1.0 9.7 ? 64 VAL A CB 1 64 . A ATOM 496 C CG1 . VAL A 1 64 ? 65.230 40.977 61.510 1.0 9.29 ? 64 VAL A CG1 1 64 . A ATOM 497 C CG2 . VAL A 1 64 ? 65.516 42.671 59.691 1.0 8.08 ? 64 VAL A CG2 1 64 . A ATOM 498 N N . TYR A 1 65 ? 62.797 38.837 60.232 1.0 13.09 ? 65 TYR A N 1 65 . A ATOM 499 C CA . TYR A 1 65 ? 62.048 37.862 61.009 1.0 13.77 ? 65 TYR A CA 1 65 . A ATOM 500 C C . TYR A 1 65 ? 62.937 37.023 61.923 1.0 14.62 ? 65 TYR A C 1 65 . A ATOM 501 O O . TYR A 1 65 ? 64.098 36.762 61.602 1.0 14.6 ? 65 TYR A O 1 65 . A ATOM 502 C CB . TYR A 1 65 ? 61.335 36.872 60.066 1.0 13.75 ? 65 TYR A CB 1 65 . A ATOM 503 C CG . TYR A 1 65 ? 60.152 37.466 59.352 1.0 15.08 ? 65 TYR A CG 1 65 . A ATOM 504 C CD1 . TYR A 1 65 ? 58.922 37.568 59.992 1.0 15.52 ? 65 TYR A CD1 1 65 . A ATOM 505 C CD2 . TYR A 1 65 ? 60.255 37.920 58.042 1.0 15.16 ? 65 TYR A CD2 1 65 . A ATOM 506 C CE1 . TYR A 1 65 ? 57.823 38.111 59.349 1.0 15.51 ? 65 TYR A CE1 1 65 . A ATOM 507 C CE2 . TYR A 1 65 ? 59.163 38.467 57.393 1.0 16.39 ? 65 TYR A CE2 1 65 . A ATOM 508 C CZ . TYR A 1 65 ? 57.954 38.563 58.054 1.0 16.28 ? 65 TYR A CZ 1 65 . A ATOM 509 O OH . TYR A 1 65 ? 56.865 39.099 57.410 1.0 16.43 ? 65 TYR A OH 1 65 . A ATOM 510 N N . ASN A 1 66 ? 62.346 36.545 63.017 1.0 15.52 ? 66 ASN A N 1 66 . A ATOM 511 C CA . ASN A 1 66 ? 63.105 35.639 63.910 1.0 16.34 ? 66 ASN A CA 1 66 . A ATOM 512 C C . ASN A 1 66 ? 62.757 34.218 63.477 1.0 17.39 ? 66 ASN A C 1 66 . A ATOM 513 O O . ASN A 1 66 ? 61.843 34.032 62.659 1.0 16.67 ? 66 ASN A O 1 66 . A ATOM 514 C CB . ASN A 1 66 ? 62.833 35.910 65.358 1.0 16.36 ? 66 ASN A CB 1 66 . A ATOM 515 C CG . ASN A 1 66 ? 61.452 35.585 65.858 1.0 16.98 ? 66 ASN A CG 1 66 . A ATOM 516 O OD1 . ASN A 1 66 ? 60.633 34.969 65.181 1.0 16.93 ? 66 ASN A OD1 1 66 . A ATOM 517 N ND2 . ASN A 1 66 ? 61.165 36.009 67.091 1.0 17.99 ? 66 ASN A ND2 1 66 . A ATOM 518 N N . PRO A 1 67 ? 63.431 33.224 64.023 1.0 18.78 ? 67 PRO A N 1 67 . A ATOM 519 C CA . PRO A 1 67 ? 63.210 31.835 63.685 1.0 20.28 ? 67 PRO A CA 1 67 . A ATOM 520 C C . PRO A 1 67 ? 61.774 31.381 63.805 1.0 22.17 ? 67 PRO A C 1 67 . A ATOM 521 O O . PRO A 1 67 ? 61.322 30.505 63.050 1.0 23.52 ? 67 PRO A O 1 67 . A ATOM 522 C CB . PRO A 1 67 ? 64.115 31.068 64.642 1.0 19.65 ? 67 PRO A CB 1 67 . A ATOM 523 C CG . PRO A 1 67 ? 65.179 32.030 65.024 1.0 19.26 ? 67 PRO A CG 1 67 . A ATOM 524 C CD . PRO A 1 67 ? 64.536 33.394 65.001 1.0 19.0 ? 67 PRO A CD 1 67 . A ATOM 525 N N . SER A 1 68 ? 61.008 31.958 64.719 1.0 23.94 ? 68 SER A N 1 68 . A ATOM 526 C CA . SER A 1 68 ? 59.616 31.627 64.930 1.0 26.15 ? 68 SER A CA 1 68 . A ATOM 527 C C . SER A 1 68 ? 58.686 32.390 64.000 1.0 27.53 ? 68 SER A C 1 68 . A ATOM 528 O O . SER A 1 68 ? 57.461 32.283 64.123 1.0 28.82 ? 68 SER A O 1 68 . A ATOM 529 C CB . SER A 1 68 ? 59.221 31.920 66.390 1.0 25.5 ? 68 SER A CB 1 68 . A ATOM 530 O OG . SER A 1 68 ? 60.107 31.244 67.269 1.0 27.29 ? 68 SER A OG 1 68 . A ATOM 531 N N . ASN A 1 69 ? 59.238 33.202 63.109 1.0 27.89 ? 69 ASN A N 1 69 . A ATOM 532 C CA . ASN A 1 69 ? 58.492 33.976 62.153 1.0 27.59 ? 69 ASN A CA 1 69 . A ATOM 533 C C . ASN A 1 69 ? 57.840 35.224 62.710 1.0 25.63 ? 69 ASN A C 1 69 . A ATOM 534 O O . ASN A 1 69 ? 56.893 35.757 62.119 1.0 24.48 ? 69 ASN A O 1 69 . A ATOM 535 C CB . ASN A 1 69 ? 57.464 33.114 61.401 1.0 32.19 ? 69 ASN A CB 1 69 . A ATOM 536 C CG . ASN A 1 69 ? 58.042 32.620 60.082 1.0 35.58 ? 69 ASN A CG 1 69 . A ATOM 537 O OD1 . ASN A 1 69 ? 58.379 33.438 59.221 1.0 37.71 ? 69 ASN A OD1 1 69 . A ATOM 538 N ND2 . ASN A 1 69 ? 58.185 31.311 59.948 1.0 36.81 ? 69 ASN A ND2 1 69 . A ATOM 539 N N . LYS A 1 70 ? 58.364 35.734 63.814 1.0 24.54 ? 70 LYS A N 1 70 . A ATOM 540 C CA . LYS A 1 70 ? 57.843 36.969 64.410 1.0 23.58 ? 70 LYS A CA 1 70 . A ATOM 541 C C . LYS A 1 70 ? 58.690 38.134 63.892 1.0 21.22 ? 70 LYS A C 1 70 . A ATOM 542 O O . LYS A 1 70 ? 59.917 38.051 63.913 1.0 20.94 ? 70 LYS A O 1 70 . A ATOM 543 C CB . LYS A 1 70 ? 57.922 36.896 65.929 1.0 27.85 ? 70 LYS A CB 1 70 . A ATOM 544 C CG . LYS A 1 70 ? 57.506 38.174 66.650 1.0 33.05 ? 70 LYS A CG 1 70 . A ATOM 545 C CD . LYS A 1 70 ? 58.352 38.379 67.901 1.0 36.25 ? 70 LYS A CD 1 70 . A ATOM 546 C CE . LYS A 1 70 ? 57.552 39.014 69.025 1.0 38.26 ? 70 LYS A CE 1 70 . A ATOM 547 N NZ . LYS A 1 70 ? 58.315 39.004 70.308 1.0 39.78 ? 70 LYS A NZ 1 70 . A ATOM 548 N N . PRO A 1 71 ? 58.034 39.166 63.392 1.0 19.18 ? 71 PRO A N 1 71 . A ATOM 549 C CA . PRO A 1 71 ? 58.718 40.338 62.876 1.0 17.97 ? 71 PRO A CA 1 71 . A ATOM 550 C C . PRO A 1 71 ? 59.456 41.050 64.004 1.0 17.15 ? 71 PRO A C 1 71 . A ATOM 551 O O . PRO A 1 71 ? 58.908 41.222 65.088 1.0 16.82 ? 71 PRO A O 1 71 . A ATOM 552 C CB . PRO A 1 71 ? 57.638 41.194 62.274 1.0 17.6 ? 71 PRO A CB 1 71 . A ATOM 553 C CG . PRO A 1 71 ? 56.346 40.537 62.515 1.0 18.34 ? 71 PRO A CG 1 71 . A ATOM 554 C CD . PRO A 1 71 ? 56.570 39.316 63.349 1.0 19.02 ? 71 PRO A CD 1 71 . A ATOM 555 N N . ILE A 1 72 ? 60.695 41.426 63.749 1.0 16.95 ? 72 ILE A N 1 72 . A ATOM 556 C CA . ILE A 1 72 ? 61.520 42.095 64.768 1.0 17.54 ? 72 ILE A CA 1 72 . A ATOM 557 C C . ILE A 1 72 ? 61.866 43.497 64.314 1.0 17.07 ? 72 ILE A C 1 72 . A ATOM 558 O O . ILE A 1 72 ? 62.272 44.373 65.080 1.0 18.04 ? 72 ILE A O 1 72 . A ATOM 559 C CB . ILE A 1 72 ? 62.749 41.219 65.062 1.0 19.72 ? 72 ILE A CB 1 72 . A ATOM 560 C CG1 . ILE A 1 72 ? 62.381 40.229 66.189 1.0 20.61 ? 72 ILE A CG1 1 72 . A ATOM 561 C CG2 . ILE A 1 72 ? 63.991 41.995 65.405 1.0 19.5 ? 72 ILE A CG2 1 72 . A ATOM 562 C CD1 . ILE A 1 72 ? 63.465 39.244 66.531 1.0 24.47 ? 72 ILE A CD1 1 72 . A ATOM 563 N N . TRP A 1 73 ? 61.635 43.752 63.029 1.0 15.22 ? 73 TRP A N 1 73 . A ATOM 564 C CA . TRP A 1 73 ? 61.890 45.037 62.407 1.0 13.1 ? 73 TRP A CA 1 73 . A ATOM 565 C C . TRP A 1 73 ? 61.308 45.032 60.993 1.0 12.74 ? 73 TRP A C 1 73 . A ATOM 566 O O . TRP A 1 73 ? 61.196 43.978 60.368 1.0 13.19 ? 73 TRP A O 1 73 . A ATOM 567 C CB . TRP A 1 73 ? 63.397 45.342 62.350 1.0 10.4 ? 73 TRP A CB 1 73 . A ATOM 568 C CG . TRP A 1 73 ? 63.703 46.653 61.686 1.0 10.16 ? 73 TRP A CG 1 73 . A ATOM 569 C CD1 . TRP A 1 73 ? 63.817 47.872 62.290 1.0 9.37 ? 73 TRP A CD1 1 73 . A ATOM 570 C CD2 . TRP A 1 73 ? 63.885 46.882 60.280 1.0 9.16 ? 73 TRP A CD2 1 73 . A ATOM 571 N NE1 . TRP A 1 73 ? 64.049 48.848 61.345 1.0 9.86 ? 73 TRP A NE1 1 73 . A ATOM 572 C CE2 . TRP A 1 73 ? 64.093 48.262 60.104 1.0 9.1 ? 73 TRP A CE2 1 73 . A ATOM 573 C CE3 . TRP A 1 73 ? 63.877 46.051 59.157 1.0 9.82 ? 73 TRP A CE3 1 73 . A ATOM 574 C CZ2 . TRP A 1 73 ? 64.306 48.833 58.852 1.0 8.98 ? 73 TRP A CZ2 1 73 . A ATOM 575 C CZ3 . TRP A 1 73 ? 64.084 46.618 57.910 1.0 8.87 ? 73 TRP A CZ3 1 73 . A ATOM 576 C CH2 . TRP A 1 73 ? 64.293 47.998 57.769 1.0 8.68 ? 73 TRP A CH2 1 73 . A ATOM 577 N N . ALA A 1 74 ? 60.914 46.198 60.513 1.0 12.69 ? 74 ALA A N 1 74 . A ATOM 578 C CA . ALA A 1 74 ? 60.395 46.322 59.150 1.0 12.11 ? 74 ALA A CA 1 74 . A ATOM 579 C C . ALA A 1 74 ? 60.553 47.763 58.681 1.0 12.12 ? 74 ALA A C 1 74 . A ATOM 580 O O . ALA A 1 74 ? 60.570 48.693 59.494 1.0 11.82 ? 74 ALA A O 1 74 . A ATOM 581 C CB . ALA A 1 74 ? 58.959 45.860 59.066 1.0 10.46 ? 74 ALA A CB 1 74 . A ATOM 582 N N . SER A 1 75 ? 60.653 47.947 57.367 1.0 12.01 ? 75 SER A N 1 75 . A ATOM 583 C CA . SER A 1 75 ? 60.771 49.294 56.801 1.0 12.05 ? 75 SER A CA 1 75 . A ATOM 584 C C . SER A 1 75 ? 59.432 50.017 56.942 1.0 13.5 ? 75 SER A C 1 75 . A ATOM 585 O O . SER A 1 75 ? 59.346 51.241 56.943 1.0 14.18 ? 75 SER A O 1 75 . A ATOM 586 C CB . SER A 1 75 ? 61.173 49.207 55.333 1.0 10.34 ? 75 SER A CB 1 75 . A ATOM 587 O OG . SER A 1 75 ? 60.350 48.268 54.652 1.0 9.81 ? 75 SER A OG 1 75 . A ATOM 588 N N . ASN A 1 76 ? 58.366 49.232 57.093 1.0 14.82 ? 76 ASN A N 1 76 . A ATOM 589 C CA . ASN A 1 76 ? 57.016 49.732 57.255 1.0 16.52 ? 76 ASN A CA 1 76 . A ATOM 590 C C . ASN A 1 76 ? 56.543 50.391 55.963 1.0 18.08 ? 76 ASN A C 1 76 . A ATOM 591 O O . ASN A 1 76 ? 55.933 51.453 55.963 1.0 19.88 ? 76 ASN A O 1 76 . A ATOM 592 C CB . ASN A 1 76 ? 56.892 50.672 58.451 1.0 14.12 ? 76 ASN A CB 1 76 . A ATOM 593 C CG . ASN A 1 76 ? 57.275 50.011 59.763 1.0 13.86 ? 76 ASN A CG 1 76 . A ATOM 594 O OD1 . ASN A 1 76 ? 57.995 50.595 60.580 1.0 13.31 ? 76 ASN A OD1 1 76 . A ATOM 595 N ND2 . ASN A 1 76 ? 56.848 48.772 59.956 1.0 11.04 ? 76 ASN A ND2 1 76 . A ATOM 596 N N . THR A 1 77 ? 56.854 49.736 54.843 1.0 18.93 ? 77 THR A N 1 77 . A ATOM 597 C CA . THR A 1 77 ? 56.494 50.237 53.525 1.0 19.29 ? 77 THR A CA 1 77 . A ATOM 598 C C . THR A 1 77 ? 55.584 49.245 52.803 1.0 21.2 ? 77 THR A C 1 77 . A ATOM 599 O O . THR A 1 77 ? 55.530 49.206 51.578 1.0 21.86 ? 77 THR A O 1 77 . A ATOM 600 C CB . THR A 1 77 ? 57.737 50.488 52.653 1.0 17.31 ? 77 THR A CB 1 77 . A ATOM 601 O OG1 . THR A 1 77 ? 58.563 49.315 52.685 1.0 17.28 ? 77 THR A OG1 1 77 . A ATOM 602 C CG2 . THR A 1 77 ? 58.526 51.683 53.151 1.0 16.26 ? 77 THR A CG2 1 77 . A ATOM 603 N N . GLY A 1 78 ? 54.911 48.415 53.593 1.0 23.44 ? 78 GLY A N 1 78 . A ATOM 604 C CA . GLY A 1 78 ? 53.973 47.434 53.027 1.0 25.97 ? 78 GLY A CA 1 78 . A ATOM 605 C C . GLY A 1 78 ? 52.873 48.217 52.298 1.0 27.92 ? 78 GLY A C 1 78 . A ATOM 606 O O . GLY A 1 78 ? 52.413 49.247 52.791 1.0 28.63 ? 78 GLY A O 1 78 . A ATOM 607 N N . GLY A 1 79 ? 52.518 47.757 51.112 1.0 29.53 ? 79 GLY A N 1 79 . A ATOM 608 C CA . GLY A 1 79 ? 51.495 48.424 50.318 1.0 31.66 ? 79 GLY A CA 1 79 . A ATOM 609 C C . GLY A 1 79 ? 50.953 47.489 49.238 1.0 32.71 ? 79 GLY A C 1 79 . A ATOM 610 O O . GLY A 1 79 ? 50.587 46.346 49.500 1.0 33.76 ? 79 GLY A O 1 79 . A ATOM 611 N N . GLN A 1 80 ? 50.929 48.000 48.018 1.0 32.33 ? 80 GLN A N 1 80 . A ATOM 612 C CA . GLN A 1 80 ? 50.421 47.253 46.875 1.0 32.13 ? 80 GLN A CA 1 80 . A ATOM 613 C C . GLN A 1 80 ? 51.293 46.056 46.540 1.0 30.23 ? 80 GLN A C 1 80 . A ATOM 614 O O . GLN A 1 80 ? 52.515 46.173 46.466 1.0 30.01 ? 80 GLN A O 1 80 . A ATOM 615 C CB . GLN A 1 80 ? 50.315 48.217 45.693 1.0 35.86 ? 80 GLN A CB 1 80 . A ATOM 616 C CG . GLN A 1 80 ? 50.346 47.611 44.312 1.0 41.79 ? 80 GLN A CG 1 80 . A ATOM 617 C CD . GLN A 1 80 ? 50.815 48.615 43.267 1.0 44.35 ? 80 GLN A CD 1 80 . A ATOM 618 O OE1 . GLN A 1 80 ? 51.432 49.628 43.610 1.0 46.23 ? 80 GLN A OE1 1 80 . A ATOM 619 N NE2 . GLN A 1 80 ? 50.523 48.333 42.005 1.0 45.93 ? 80 GLN A NE2 1 80 . A ATOM 620 N N . ASN A 1 81 ? 50.661 44.902 46.339 1.0 28.77 ? 81 ASN A N 1 81 . A ATOM 621 C CA . ASN A 1 81 ? 51.392 43.701 45.947 1.0 28.71 ? 81 ASN A CA 1 81 . A ATOM 622 C C . ASN A 1 81 ? 51.942 43.903 44.528 1.0 27.35 ? 81 ASN A C 1 81 . A ATOM 623 O O . ASN A 1 81 ? 51.212 44.316 43.626 1.0 27.35 ? 81 ASN A O 1 81 . A ATOM 624 C CB . ASN A 1 81 ? 50.516 42.459 45.997 1.0 32.2 ? 81 ASN A CB 1 81 . A ATOM 625 C CG . ASN A 1 81 ? 50.947 41.459 47.052 1.0 36.52 ? 81 ASN A CG 1 81 . A ATOM 626 O OD1 . ASN A 1 81 ? 51.524 40.413 46.733 1.0 38.44 ? 81 ASN A OD1 1 81 . A ATOM 627 N ND2 . ASN A 1 81 ? 50.676 41.764 48.317 1.0 38.32 ? 81 ASN A ND2 1 81 . A ATOM 628 N N . GLY A 1 82 ? 53.236 43.652 44.363 1.0 24.71 ? 82 GLY A N 1 82 . A ATOM 629 C CA . GLY A 1 82 ? 53.863 43.821 43.059 1.0 21.66 ? 82 GLY A CA 1 82 . A ATOM 630 C C . GLY A 1 82 ? 55.298 43.314 43.074 1.0 19.43 ? 82 GLY A C 1 82 . A ATOM 631 O O . GLY A 1 82 ? 55.654 42.440 43.858 1.0 19.41 ? 82 GLY A O 1 82 . A ATOM 632 N N . ASN A 1 83 ? 56.099 43.858 42.167 1.0 17.43 ? 83 ASN A N 1 83 . A ATOM 633 C CA . ASN A 1 83 ? 57.508 43.481 42.065 1.0 15.06 ? 83 ASN A CA 1 83 . A ATOM 634 C C . ASN A 1 83 ? 58.368 44.636 42.570 1.0 13.47 ? 83 ASN A C 1 83 . A ATOM 635 O O . ASN A 1 83 ? 58.244 45.765 42.107 1.0 13.21 ? 83 ASN A O 1 83 . A ATOM 636 C CB . ASN A 1 83 ? 57.857 43.110 40.632 1.0 15.53 ? 83 ASN A CB 1 83 . A ATOM 637 C CG . ASN A 1 83 ? 57.069 41.900 40.149 1.0 16.02 ? 83 ASN A CG 1 83 . A ATOM 638 O OD1 . ASN A 1 83 ? 57.173 40.819 40.732 1.0 16.24 ? 83 ASN A OD1 1 83 . A ATOM 639 N ND2 . ASN A 1 83 ? 56.269 42.100 39.114 1.0 14.77 ? 83 ASN A ND2 1 83 . A ATOM 640 N N . TYR A 1 84 ? 59.158 44.366 43.600 1.0 12.65 ? 84 TYR A N 1 84 . A ATOM 641 C CA . TYR A 1 84 ? 60.015 45.367 44.216 1.0 11.26 ? 84 TYR A CA 1 84 . A ATOM 642 C C . TYR A 1 84 ? 61.460 44.870 44.246 1.0 10.84 ? 84 TYR A C 1 84 . A ATOM 643 O O . TYR A 1 84 ? 61.714 43.684 44.052 1.0 11.15 ? 84 TYR A O 1 84 . A ATOM 644 C CB . TYR A 1 84 ? 59.583 45.638 45.663 1.0 11.06 ? 84 TYR A CB 1 84 . A ATOM 645 C CG . TYR A 1 84 ? 58.211 46.243 45.820 1.0 11.39 ? 84 TYR A CG 1 84 . A ATOM 646 C CD1 . TYR A 1 84 ? 57.079 45.433 45.875 1.0 12.04 ? 84 TYR A CD1 1 84 . A ATOM 647 C CD2 . TYR A 1 84 ? 58.035 47.615 45.931 1.0 11.29 ? 84 TYR A CD2 1 84 . A ATOM 648 C CE1 . TYR A 1 84 ? 55.815 45.973 46.008 1.0 11.93 ? 84 TYR A CE1 1 84 . A ATOM 649 C CE2 . TYR A 1 84 ? 56.775 48.163 46.079 1.0 12.41 ? 84 TYR A CE2 1 84 . A ATOM 650 C CZ . TYR A 1 84 ? 55.670 47.338 46.112 1.0 12.72 ? 84 TYR A CZ 1 84 . A ATOM 651 O OH . TYR A 1 84 ? 54.414 47.885 46.265 1.0 13.96 ? 84 TYR A OH 1 84 . A ATOM 652 N N . VAL A 1 85 ? 62.395 45.781 44.469 1.0 10.47 ? 85 VAL A N 1 85 . A ATOM 653 C CA . VAL A 1 85 ? 63.797 45.439 44.574 1.0 10.08 ? 85 VAL A CA 1 85 . A ATOM 654 C C . VAL A 1 85 ? 64.447 46.296 45.679 1.0 11.05 ? 85 VAL A C 1 85 . A ATOM 655 O O . VAL A 1 85 ? 64.166 47.488 45.801 1.0 11.28 ? 85 VAL A O 1 85 . A ATOM 656 C CB . VAL A 1 85 ? 64.625 45.634 43.301 1.0 9.07 ? 85 VAL A CB 1 85 . A ATOM 657 C CG1 . VAL A 1 85 ? 64.351 44.580 42.250 1.0 8.71 ? 85 VAL A CG1 1 85 . A ATOM 658 C CG2 . VAL A 1 85 ? 64.453 47.037 42.737 1.0 7.45 ? 85 VAL A CG2 1 85 . A ATOM 659 N N . CYS A 1 86 ? 65.270 45.641 46.474 1.0 10.77 ? 86 CYS A N 1 86 . A ATOM 660 C CA . CYS A 1 86 ? 66.031 46.357 47.513 1.0 11.13 ? 86 CYS A CA 1 86 . A ATOM 661 C C . CYS A 1 86 ? 67.465 46.419 46.969 1.0 11.37 ? 86 CYS A C 1 86 . A ATOM 662 O O . CYS A 1 86 ? 68.029 45.356 46.669 1.0 12.05 ? 86 CYS A O 1 86 . A ATOM 663 C CB . CYS A 1 86 ? 65.972 45.635 48.843 1.0 10.42 ? 86 CYS A CB 1 86 . A ATOM 664 S SG . CYS A 1 86 ? 66.932 46.447 50.141 1.0 12.84 ? 86 CYS A SG 1 86 . A ATOM 665 N N . ILE A 1 87 ? 67.973 47.611 46.712 1.0 10.87 ? 87 ILE A N 1 87 . A ATOM 666 C CA . ILE A 1 87 ? 69.279 47.746 46.097 1.0 11.03 ? 87 ILE A CA 1 87 . A ATOM 667 C C . ILE A 1 87 ? 70.353 48.391 46.949 1.0 11.45 ? 87 ILE A C 1 87 . A ATOM 668 O O . ILE A 1 87 ? 70.177 49.512 47.429 1.0 11.25 ? 87 ILE A O 1 87 . A ATOM 669 C CB . ILE A 1 87 ? 69.149 48.611 44.805 1.0 10.95 ? 87 ILE A CB 1 87 . A ATOM 670 C CG1 . ILE A 1 87 ? 68.152 47.982 43.839 1.0 10.6 ? 87 ILE A CG1 1 87 . A ATOM 671 C CG2 . ILE A 1 87 ? 70.511 48.777 44.152 1.0 11.95 ? 87 ILE A CG2 1 87 . A ATOM 672 C CD1 . ILE A 1 87 ? 67.823 48.853 42.645 1.0 11.56 ? 87 ILE A CD1 1 87 . A ATOM 673 N N . LEU A 1 88 ? 71.505 47.720 47.054 1.0 11.52 ? 88 LEU A N 1 88 . A ATOM 674 C CA . LEU A 1 88 ? 72.656 48.350 47.739 1.0 12.35 ? 88 LEU A CA 1 88 . A ATOM 675 C C . LEU A 1 88 ? 73.387 49.115 46.613 1.0 12.99 ? 88 LEU A C 1 88 . A ATOM 676 O O . LEU A 1 88 ? 74.059 48.522 45.778 1.0 13.07 ? 88 LEU A O 1 88 . A ATOM 677 C CB . LEU A 1 88 ? 73.539 47.360 48.434 1.0 12.35 ? 88 LEU A CB 1 88 . A ATOM 678 C CG . LEU A 1 88 ? 74.918 47.802 48.927 1.0 11.64 ? 88 LEU A CG 1 88 . A ATOM 679 C CD1 . LEU A 1 88 ? 74.855 49.132 49.663 1.0 10.77 ? 88 LEU A CD1 1 88 . A ATOM 680 C CD2 . LEU A 1 88 ? 75.524 46.730 49.823 1.0 11.76 ? 88 LEU A CD2 1 88 . A ATOM 681 N N . GLN A 1 89 ? 73.107 50.410 46.532 1.0 13.0 ? 89 GLN A N 1 89 . A ATOM 682 C CA . GLN A 1 89 ? 73.597 51.257 45.473 1.0 12.84 ? 89 GLN A CA 1 89 . A ATOM 683 C C . GLN A 1 89 ? 75.067 51.603 45.517 1.0 13.09 ? 89 GLN A C 1 89 . A ATOM 684 O O . GLN A 1 89 ? 75.760 51.455 46.522 1.0 13.49 ? 89 GLN A O 1 89 . A ATOM 685 C CB . GLN A 1 89 ? 72.766 52.563 45.426 1.0 12.57 ? 89 GLN A CB 1 89 . A ATOM 686 C CG . GLN A 1 89 ? 71.271 52.329 45.492 1.0 11.56 ? 89 GLN A CG 1 89 . A ATOM 687 C CD . GLN A 1 89 ? 70.446 53.521 45.071 1.0 12.45 ? 89 GLN A CD 1 89 . A ATOM 688 O OE1 . GLN A 1 89 ? 69.367 53.356 44.494 1.0 12.89 ? 89 GLN A OE1 1 89 . A ATOM 689 N NE2 . GLN A 1 89 ? 70.913 54.733 45.345 1.0 11.93 ? 89 GLN A NE2 1 89 . A ATOM 690 N N . LYS A 1 90 ? 75.551 52.153 44.392 1.0 13.05 ? 90 LYS A N 1 90 . A ATOM 691 C CA . LYS A 1 90 ? 76.945 52.556 44.276 1.0 13.66 ? 90 LYS A CA 1 90 . A ATOM 692 C C . LYS A 1 90 ? 77.228 53.819 45.072 1.0 13.84 ? 90 LYS A C 1 90 . A ATOM 693 O O . LYS A 1 90 ? 78.383 54.080 45.423 1.0 15.08 ? 90 LYS A O 1 90 . A ATOM 694 C CB . LYS A 1 90 ? 77.350 52.728 42.817 1.0 14.67 ? 90 LYS A CB 1 90 . A ATOM 695 C CG . LYS A 1 90 ? 76.652 53.872 42.105 1.0 17.29 ? 90 LYS A CG 1 90 . A ATOM 696 C CD . LYS A 1 90 ? 76.888 53.821 40.603 1.0 18.53 ? 90 LYS A CD 1 90 . A ATOM 697 C CE . LYS A 1 90 ? 76.049 54.876 39.892 1.0 20.18 ? 90 LYS A CE 1 90 . A ATOM 698 N NZ . LYS A 1 90 ? 76.454 55.018 38.464 1.0 22.63 ? 90 LYS A NZ 1 90 . A ATOM 699 N N . ASP A 1 91 ? 76.190 54.578 45.413 1.0 13.77 ? 91 ASP A N 1 91 . A ATOM 700 C CA . ASP A 1 91 ? 76.350 55.792 46.204 1.0 13.89 ? 91 ASP A CA 1 91 . A ATOM 701 C C . ASP A 1 91 ? 76.282 55.507 47.701 1.0 13.53 ? 91 ASP A C 1 91 . A ATOM 702 O O . ASP A 1 91 ? 76.254 56.425 48.520 1.0 13.93 ? 91 ASP A O 1 91 . A ATOM 703 C CB . ASP A 1 91 ? 75.339 56.855 45.808 1.0 14.72 ? 91 ASP A CB 1 91 . A ATOM 704 C CG . ASP A 1 91 ? 73.899 56.524 46.124 1.0 15.8 ? 91 ASP A CG 1 91 . A ATOM 705 O OD1 . ASP A 1 91 ? 73.592 55.389 46.535 1.0 15.48 ? 91 ASP A OD1 1 91 . A ATOM 706 O OD2 . ASP A 1 91 ? 73.034 57.418 45.962 1.0 16.2 ? 91 ASP A OD2 1 91 . A ATOM 707 N N . ARG A 1 92 ? 76.214 54.244 48.081 1.0 13.41 ? 92 ARG A N 1 92 . A ATOM 708 C CA . ARG A 1 92 ? 76.180 53.777 49.437 1.0 13.47 ? 92 ARG A CA 1 92 . A ATOM 709 C C . ARG A 1 92 ? 74.809 53.816 50.093 1.0 13.23 ? 92 ARG A C 1 92 . A ATOM 710 O O . ARG A 1 92 ? 74.677 53.540 51.295 1.0 13.47 ? 92 ARG A O 1 92 . A ATOM 711 C CB . ARG A 1 92 ? 77.208 54.481 50.330 1.0 13.95 ? 92 ARG A CB 1 92 . A ATOM 712 C CG . ARG A 1 92 ? 77.611 53.627 51.532 1.0 15.74 ? 92 ARG A CG 1 92 . A ATOM 713 C CD . ARG A 1 92 ? 78.561 54.368 52.449 1.0 17.37 ? 92 ARG A CD 1 92 . A ATOM 714 N NE . ARG A 1 92 ? 77.957 55.551 53.037 1.0 20.79 ? 92 ARG A NE 1 92 . A ATOM 715 C CZ . ARG A 1 92 ? 78.545 56.368 53.899 1.0 22.68 ? 92 ARG A CZ 1 92 . A ATOM 716 N NH1 . ARG A 1 92 ? 79.791 56.146 54.298 1.0 23.06 ? 92 ARG A NH1 1 92 . A ATOM 717 N NH2 . ARG A 1 92 ? 77.879 57.419 54.369 1.0 23.77 ? 92 ARG A NH2 1 92 . A ATOM 718 N N . ASN A 1 93 ? 73.774 54.107 49.321 1.0 12.0 ? 93 ASN A N 1 93 . A ATOM 719 C CA . ASN A 1 93 ? 72.410 54.141 49.847 1.0 10.52 ? 93 ASN A CA 1 93 . A ATOM 720 C C . ASN A 1 93 ? 71.737 52.791 49.623 1.0 10.26 ? 93 ASN A C 1 93 . A ATOM 721 O O . ASN A 1 93 ? 72.029 52.103 48.638 1.0 10.47 ? 93 ASN A O 1 93 . A ATOM 722 C CB . ASN A 1 93 ? 71.625 55.251 49.146 1.0 8.26 ? 93 ASN A CB 1 93 . A ATOM 723 C CG . ASN A 1 93 ? 70.542 55.886 49.972 1.0 6.52 ? 93 ASN A CG 1 93 . A ATOM 724 O OD1 . ASN A 1 93 ? 70.270 55.507 51.110 1.0 6.71 ? 93 ASN A OD1 1 93 . A ATOM 725 N ND2 . ASN A 1 93 ? 69.870 56.889 49.412 1.0 5.67 ? 93 ASN A ND2 1 93 . A ATOM 726 N N . VAL A 1 94 ? 70.919 52.371 50.578 1.0 9.95 ? 94 VAL A N 1 94 . A ATOM 727 C CA . VAL A 1 94 ? 70.139 51.130 50.414 1.0 8.77 ? 94 VAL A CA 1 94 . A ATOM 728 C C . VAL A 1 94 ? 68.695 51.608 50.192 1.0 9.24 ? 94 VAL A C 1 94 . A ATOM 729 O O . VAL A 1 94 ? 68.180 52.378 51.000 1.0 8.59 ? 94 VAL A O 1 94 . A ATOM 730 C CB . VAL A 1 94 ? 70.240 50.152 51.554 1.0 8.14 ? 94 VAL A CB 1 94 . A ATOM 731 C CG1 . VAL A 1 94 ? 69.321 48.944 51.342 1.0 6.39 ? 94 VAL A CG1 1 94 . A ATOM 732 C CG2 . VAL A 1 94 ? 71.682 49.653 51.724 1.0 6.93 ? 94 VAL A CG2 1 94 . A ATOM 733 N N . VAL A 1 95 ? 68.163 51.344 49.000 1.0 9.56 ? 95 VAL A N 1 95 . A ATOM 734 C CA . VAL A 1 95 ? 66.859 51.846 48.617 1.0 9.54 ? 95 VAL A CA 1 95 . A ATOM 735 C C . VAL A 1 95 ? 65.917 50.766 48.093 1.0 10.3 ? 95 VAL A C 1 95 . A ATOM 736 O O . VAL A 1 95 ? 66.327 49.831 47.410 1.0 10.49 ? 95 VAL A O 1 95 . A ATOM 737 C CB . VAL A 1 95 ? 66.977 52.899 47.479 1.0 9.42 ? 95 VAL A CB 1 95 . A ATOM 738 C CG1 . VAL A 1 95 ? 65.655 53.635 47.287 1.0 7.42 ? 95 VAL A CG1 1 95 . A ATOM 739 C CG2 . VAL A 1 95 ? 68.104 53.882 47.717 1.0 8.38 ? 95 VAL A CG2 1 95 . A ATOM 740 N N . ILE A 1 96 ? 64.627 50.952 48.387 1.0 10.14 ? 96 ILE A N 1 96 . A ATOM 741 C CA . ILE A 1 96 ? 63.597 50.048 47.883 1.0 10.05 ? 96 ILE A CA 1 96 . A ATOM 742 C C . ILE A 1 96 ? 62.848 50.780 46.757 1.0 10.4 ? 96 ILE A C 1 96 . A ATOM 743 O O . ILE A 1 96 ? 62.426 51.921 46.958 1.0 10.63 ? 96 ILE A O 1 96 . A ATOM 744 C CB . ILE A 1 96 ? 62.599 49.625 48.965 1.0 9.75 ? 96 ILE A CB 1 96 . A ATOM 745 C CG1 . ILE A 1 96 ? 63.275 48.755 50.027 1.0 8.46 ? 96 ILE A CG1 1 96 . A ATOM 746 C CG2 . ILE A 1 96 ? 61.412 48.884 48.348 1.0 8.67 ? 96 ILE A CG2 1 96 . A ATOM 747 C CD1 . ILE A 1 96 ? 62.463 48.570 51.289 1.0 7.27 ? 96 ILE A CD1 1 96 . A ATOM 748 N N . TYR A 1 97 ? 62.759 50.158 45.595 1.0 10.44 ? 97 TYR A N 1 97 . A ATOM 749 C CA . TYR A 1 97 ? 62.067 50.751 44.457 1.0 11.14 ? 97 TYR A CA 1 97 . A ATOM 750 C C . TYR A 1 97 ? 60.908 49.828 44.040 1.0 11.58 ? 97 TYR A C 1 97 . A ATOM 751 O O . TYR A 1 97 ? 61.041 48.609 44.143 1.0 11.68 ? 97 TYR A O 1 97 . A ATOM 752 C CB . TYR A 1 97 ? 62.972 50.931 43.246 1.0 10.83 ? 97 TYR A CB 1 97 . A ATOM 753 C CG . TYR A 1 97 ? 64.106 51.907 43.358 1.0 10.36 ? 97 TYR A CG 1 97 . A ATOM 754 C CD1 . TYR A 1 97 ? 65.358 51.507 43.809 1.0 10.28 ? 97 TYR A CD1 1 97 . A ATOM 755 C CD2 . TYR A 1 97 ? 63.950 53.237 42.978 1.0 10.7 ? 97 TYR A CD2 1 97 . A ATOM 756 C CE1 . TYR A 1 97 ? 66.413 52.400 43.898 1.0 10.33 ? 97 TYR A CE1 1 97 . A ATOM 757 C CE2 . TYR A 1 97 ? 64.997 54.139 43.064 1.0 10.19 ? 97 TYR A CE2 1 97 . A ATOM 758 C CZ . TYR A 1 97 ? 66.227 53.709 43.517 1.0 10.06 ? 97 TYR A CZ 1 97 . A ATOM 759 O OH . TYR A 1 97 ? 67.270 54.604 43.605 1.0 10.08 ? 97 TYR A OH 1 97 . A ATOM 760 N N . GLY A 1 98 ? 59.837 50.417 43.537 1.0 11.87 ? 98 GLY A N 1 98 . A ATOM 761 C CA . GLY A 1 98 ? 58.696 49.624 43.082 1.0 11.78 ? 98 GLY A CA 1 98 . A ATOM 762 C C . GLY A 1 98 ? 57.462 50.504 42.908 1.0 12.26 ? 98 GLY A C 1 98 . A ATOM 763 O O . GLY A 1 98 ? 57.413 51.616 43.435 1.0 11.32 ? 98 GLY A O 1 98 . A ATOM 764 N N . THR A 1 99 ? 56.482 49.996 42.173 1.0 12.44 ? 99 THR A N 1 99 . A ATOM 765 C CA . THR A 1 99 ? 56.586 48.674 41.557 1.0 13.64 ? 99 THR A CA 1 99 . A ATOM 766 C C . THR A 1 99 ? 57.253 48.769 40.192 1.0 13.71 ? 99 THR A C 1 99 . A ATOM 767 O O . THR A 1 99 ? 57.786 49.833 39.852 1.0 13.61 ? 99 THR A O 1 99 . A ATOM 768 C CB . THR A 1 99 ? 55.193 48.028 41.423 1.0 13.89 ? 99 THR A CB 1 99 . A ATOM 769 O OG1 . THR A 1 99 ? 54.342 48.866 40.631 1.0 14.77 ? 99 THR A OG1 1 99 . A ATOM 770 C CG2 . THR A 1 99 ? 54.557 47.856 42.796 1.0 15.89 ? 99 THR A CG2 1 99 . A ATOM 771 N N . ASP A 1 100 ? 57.237 47.688 39.419 1.0 14.54 ? 100 ASP A N 1 100 . A ATOM 772 C CA . ASP A 1 100 ? 57.849 47.715 38.083 1.0 16.71 ? 100 ASP A CA 1 100 . A ATOM 773 C C . ASP A 1 100 ? 56.951 48.498 37.132 1.0 17.62 ? 100 ASP A C 1 100 . A ATOM 774 O O . ASP A 1 100 ? 55.735 48.276 37.111 1.0 18.93 ? 100 ASP A O 1 100 . A ATOM 775 C CB . ASP A 1 100 ? 58.076 46.300 37.568 1.0 18.47 ? 100 ASP A CB 1 100 . A ATOM 776 C CG . ASP A 1 100 ? 56.776 45.512 37.482 1.0 21.82 ? 100 ASP A CG 1 100 . A ATOM 777 O OD1 . ASP A 1 100 ? 56.317 45.006 38.527 1.0 23.25 ? 100 ASP A OD1 1 100 . A ATOM 778 O OD2 . ASP A 1 100 ? 56.206 45.438 36.375 1.0 22.75 ? 100 ASP A OD2 1 100 . A ATOM 779 N N . ARG A 1 101 ? 57.525 49.419 36.368 1.0 18.22 ? 101 ARG A N 1 101 . A ATOM 780 C CA . ARG A 1 101 ? 56.748 50.256 35.470 1.0 18.32 ? 101 ARG A CA 1 101 . A ATOM 781 C C . ARG A 1 101 ? 56.755 49.773 34.032 1.0 18.18 ? 101 ARG A C 1 101 . A ATOM 782 O O . ARG A 1 101 ? 55.808 50.034 33.289 1.0 18.36 ? 101 ARG A O 1 101 . A ATOM 783 C CB . ARG A 1 101 ? 57.274 51.706 35.508 1.0 20.15 ? 101 ARG A CB 1 101 . A ATOM 784 C CG . ARG A 1 101 ? 57.289 52.319 36.899 1.0 24.23 ? 101 ARG A CG 1 101 . A ATOM 785 C CD . ARG A 1 101 ? 55.958 52.115 37.600 1.0 28.78 ? 101 ARG A CD 1 101 . A ATOM 786 N NE . ARG A 1 101 ? 55.958 52.531 38.996 1.0 33.13 ? 101 ARG A NE 1 101 . A ATOM 787 C CZ . ARG A 1 101 ? 54.982 52.207 39.846 1.0 35.0 ? 101 ARG A CZ 1 101 . A ATOM 788 N NH1 . ARG A 1 101 ? 53.966 51.463 39.419 1.0 35.79 ? 101 ARG A NH1 1 101 . A ATOM 789 N NH2 . ARG A 1 101 ? 55.017 52.624 41.102 1.0 34.67 ? 101 ARG A NH2 1 101 . A ATOM 790 N N . TRP A 1 102 ? 57.819 49.096 33.640 1.0 18.17 ? 102 TRP A N 1 102 . A ATOM 791 C CA . TRP A 1 102 ? 57.996 48.626 32.268 1.0 17.54 ? 102 TRP A CA 1 102 . A ATOM 792 C C . TRP A 1 102 ? 58.975 47.458 32.249 1.0 17.41 ? 102 TRP A C 1 102 . A ATOM 793 O O . TRP A 1 102 ? 59.813 47.352 33.146 1.0 17.74 ? 102 TRP A O 1 102 . A ATOM 794 C CB . TRP A 1 102 ? 58.579 49.787 31.442 1.0 18.82 ? 102 TRP A CB 1 102 . A ATOM 795 C CG . TRP A 1 102 ? 58.968 49.444 30.042 1.0 20.51 ? 102 TRP A CG 1 102 . A ATOM 796 C CD1 . TRP A 1 102 ? 58.159 49.477 28.940 1.0 20.47 ? 102 TRP A CD1 1 102 . A ATOM 797 C CD2 . TRP A 1 102 ? 60.258 49.031 29.575 1.0 21.73 ? 102 TRP A CD2 1 102 . A ATOM 798 N NE1 . TRP A 1 102 ? 58.862 49.092 27.825 1.0 21.87 ? 102 TRP A NE1 1 102 . A ATOM 799 C CE2 . TRP A 1 102 ? 60.155 48.813 28.188 1.0 22.14 ? 102 TRP A CE2 1 102 . A ATOM 800 C CE3 . TRP A 1 102 ? 61.490 48.808 30.202 1.0 23.23 ? 102 TRP A CE3 1 102 . A ATOM 801 C CZ2 . TRP A 1 102 ? 61.233 48.389 27.412 1.0 22.08 ? 102 TRP A CZ2 1 102 . A ATOM 802 C CZ3 . TRP A 1 102 ? 62.561 48.393 29.430 1.0 23.11 ? 102 TRP A CZ3 1 102 . A ATOM 803 C CH2 . TRP A 1 102 ? 62.426 48.192 28.047 1.0 21.68 ? 102 TRP A CH2 1 102 . A ATOM 804 N N . ALA A 1 103 ? 58.871 46.600 31.247 1.0 17.01 ? 103 ALA A N 1 103 . A ATOM 805 C CA . ALA A 1 103 ? 59.789 45.468 31.130 1.0 17.14 ? 103 ALA A CA 1 103 . A ATOM 806 C C . ALA A 1 103 ? 59.875 45.015 29.679 1.0 17.89 ? 103 ALA A C 1 103 . A ATOM 807 O O . ALA A 1 103 ? 58.946 45.258 28.904 1.0 19.0 ? 103 ALA A O 1 103 . A ATOM 808 C CB . ALA A 1 103 ? 59.350 44.335 32.035 1.0 15.63 ? 103 ALA A CB 1 103 . A ATOM 809 N N . THR A 1 104 ? 60.978 44.369 29.309 1.0 17.86 ? 104 THR A N 1 104 . A ATOM 810 C CA . THR A 1 104 ? 61.143 43.852 27.956 1.0 17.34 ? 104 THR A CA 1 104 . A ATOM 811 C C . THR A 1 104 ? 60.455 42.486 27.826 1.0 18.35 ? 104 THR A C 1 104 . A ATOM 812 O O . THR A 1 104 ? 60.226 42.001 26.722 1.0 18.35 ? 104 THR A O 1 104 . A ATOM 813 C CB . THR A 1 104 ? 62.616 43.691 27.558 1.0 15.76 ? 104 THR A CB 1 104 . A ATOM 814 O OG1 . THR A 1 104 ? 63.313 42.949 28.571 1.0 15.42 ? 104 THR A OG1 1 104 . A ATOM 815 C CG2 . THR A 1 104 ? 63.299 45.023 27.349 1.0 14.43 ? 104 THR A CG2 1 104 . A ATOM 816 N N . GLY A 1 105 ? 60.152 41.868 28.964 1.0 19.7 ? 105 GLY A N 1 105 . A ATOM 817 C CA . GLY A 1 105 ? 59.506 40.562 28.987 1.0 22.08 ? 105 GLY A CA 1 105 . A ATOM 818 C C . GLY A 1 105 ? 60.423 39.507 28.372 1.0 24.35 ? 105 GLY A C 1 105 . A ATOM 819 O O . GLY A 1 105 ? 60.011 38.715 27.531 1.0 24.69 ? 105 GLY A O 1 105 . A ATOM 820 N N . THR A 1 106 ? 61.680 39.509 28.807 1.0 26.52 ? 106 THR A N 1 106 . A ATOM 821 C CA . THR A 1 106 ? 62.681 38.585 28.278 1.0 28.06 ? 106 THR A CA 1 106 . A ATOM 822 C C . THR A 1 106 ? 63.237 37.683 29.368 1.0 29.41 ? 106 THR A C 1 106 . A ATOM 823 O O . THR A 1 106 ? 64.366 37.201 29.308 1.0 28.79 ? 106 THR A O 1 106 . A ATOM 824 C CB . THR A 1 106 ? 63.826 39.376 27.610 1.0 27.8 ? 106 THR A CB 1 106 . A ATOM 825 O OG1 . THR A 1 106 ? 64.168 40.493 28.443 1.0 27.64 ? 106 THR A OG1 1 106 . A ATOM 826 C CG2 . THR A 1 106 ? 63.401 39.888 26.241 1.0 25.9 ? 106 THR A CG2 1 106 . A ATOM 827 N N . HIS A 1 107 ? 62.419 37.435 30.385 1.0 31.97 ? 107 HIS A N 1 107 . A ATOM 828 C CA . HIS A 1 107 ? 62.794 36.608 31.514 1.0 35.53 ? 107 HIS A CA 1 107 . A ATOM 829 C C . HIS A 1 107 ? 62.551 35.126 31.260 1.0 38.56 ? 107 HIS A C 1 107 . A ATOM 830 O O . HIS A 1 107 ? 61.662 34.735 30.504 1.0 39.03 ? 107 HIS A O 1 107 . A ATOM 831 C CB . HIS A 1 107 ? 61.977 37.045 32.752 1.0 35.86 ? 107 HIS A CB 1 107 . A ATOM 832 C CG . HIS A 1 107 ? 60.511 36.795 32.545 1.0 39.76 ? 107 HIS A CG 1 107 . A ATOM 833 N ND1 . HIS A 1 107 ? 59.863 35.709 33.091 1.0 41.42 ? 107 HIS A ND1 1 107 . A ATOM 834 C CD2 . HIS A 1 107 ? 59.599 37.448 31.787 1.0 39.85 ? 107 HIS A CD2 1 107 . A ATOM 835 C CE1 . HIS A 1 107 ? 58.598 35.721 32.705 1.0 43.05 ? 107 HIS A CE1 1 107 . A ATOM 836 N NE2 . HIS A 1 107 ? 58.412 36.766 31.915 1.0 42.92 ? 107 HIS A NE2 1 107 . A ATOM 837 N N . THR A 1 108 ? 63.333 34.295 31.932 1.0 41.65 ? 108 THR A N 1 108 . A ATOM 838 C CA . THR A 1 108 ? 63.220 32.843 31.819 1.0 46.01 ? 108 THR A CA 1 108 . A ATOM 839 C C . THR A 1 108 ? 62.715 32.262 33.142 1.0 49.45 ? 108 THR A C 1 108 . A ATOM 840 O O . THR A 1 108 ? 62.042 32.940 33.918 1.0 50.67 ? 108 THR A O 1 108 . A ATOM 841 C CB . THR A 1 108 ? 64.629 32.248 31.556 1.0 45.02 ? 108 THR A CB 1 108 . A ATOM 842 O OG1 . THR A 1 108 ? 65.490 32.678 32.628 1.0 43.92 ? 108 THR A OG1 1 108 . A ATOM 843 C CG2 . THR A 1 108 ? 65.188 32.732 30.238 1.0 43.18 ? 108 THR A CG2 1 108 . A ATOM 844 N N . GLY A 1 109 ? 63.077 31.016 33.420 1.0 52.29 ? 109 GLY A N 1 109 . A ATOM 845 C CA . GLY A 1 109 ? 62.761 30.322 34.626 1.0 54.76 ? 109 GLY A CA 1 109 . A ATOM 846 C C . GLY A 1 109 ? 61.321 30.245 35.050 1.0 56.12 ? 109 GLY A C 1 109 . A ATOM 847 O O . GLY A 1 109 ? 60.415 30.749 34.350 1.0 57.0 ? 109 GLY A O 1 109 . A ATOM 848 O OXT . GLY A 1 109 ? 61.065 29.645 36.136 1.0 57.18 ? 109 GLY A OXT 1 109 . A ATOM 849 N N . ASP B 1 1 ? 87.254 45.731 41.992 1.0 26.93 ? 1 ASP B N 1 1 . B ATOM 850 C CA . ASP B 1 1 ? 87.818 44.517 41.330 1.0 26.06 ? 1 ASP B CA 1 1 . B ATOM 851 C C . ASP B 1 1 ? 88.553 43.658 42.354 1.0 23.59 ? 1 ASP B C 1 1 . B ATOM 852 O O . ASP B 1 1 ? 88.966 44.173 43.393 1.0 22.12 ? 1 ASP B O 1 1 . B ATOM 853 C CB . ASP B 1 1 ? 88.751 44.915 40.189 1.0 31.25 ? 1 ASP B CB 1 1 . B ATOM 854 C CG . ASP B 1 1 ? 88.875 43.856 39.113 1.0 35.16 ? 1 ASP B CG 1 1 . B ATOM 855 O OD1 . ASP B 1 1 ? 88.158 42.832 39.182 1.0 37.45 ? 1 ASP B OD1 1 1 . B ATOM 856 O OD2 . ASP B 1 1 ? 89.683 44.047 38.175 1.0 37.29 ? 1 ASP B OD2 1 1 . B ATOM 857 N N . ASN B 1 2 ? 88.716 42.371 42.062 1.0 21.16 ? 2 ASN B N 1 2 . B ATOM 858 C CA . ASN B 1 2 ? 89.410 41.485 42.992 1.0 20.12 ? 2 ASN B CA 1 2 . B ATOM 859 C C . ASN B 1 2 ? 90.783 41.091 42.475 1.0 18.02 ? 2 ASN B C 1 2 . B ATOM 860 O O . ASN B 1 2 ? 91.434 40.209 43.039 1.0 18.06 ? 2 ASN B O 1 2 . B ATOM 861 C CB . ASN B 1 2 ? 88.567 40.254 43.306 1.0 21.6 ? 2 ASN B CB 1 2 . B ATOM 862 C CG . ASN B 1 2 ? 88.312 39.368 42.110 1.0 23.37 ? 2 ASN B CG 1 2 . B ATOM 863 O OD1 . ASN B 1 2 ? 88.197 39.837 40.977 1.0 24.73 ? 2 ASN B OD1 1 2 . B ATOM 864 N ND2 . ASN B 1 2 ? 88.218 38.061 42.352 1.0 25.16 ? 2 ASN B ND2 1 2 . B ATOM 865 N N . ILE B 1 3 ? 91.231 41.726 41.399 1.0 16.71 ? 3 ILE B N 1 3 . B ATOM 866 C CA . ILE B 1 3 ? 92.524 41.418 40.806 1.0 15.82 ? 3 ILE B CA 1 3 . B ATOM 867 C C . ILE B 1 3 ? 93.400 42.663 40.680 1.0 15.42 ? 3 ILE B C 1 3 . B ATOM 868 O O . ILE B 1 3 ? 92.932 43.721 40.262 1.0 15.21 ? 3 ILE B O 1 3 . B ATOM 869 C CB . ILE B 1 3 ? 92.354 40.810 39.396 1.0 16.15 ? 3 ILE B CB 1 3 . B ATOM 870 C CG1 . ILE B 1 3 ? 91.589 39.492 39.450 1.0 16.38 ? 3 ILE B CG1 1 3 . B ATOM 871 C CG2 . ILE B 1 3 ? 93.708 40.616 38.722 1.0 16.41 ? 3 ILE B CG2 1 3 . B ATOM 872 C CD1 . ILE B 1 3 ? 91.016 39.050 38.123 1.0 17.54 ? 3 ILE B CD1 1 3 . B ATOM 873 N N . LEU B 1 4 ? 94.670 42.522 41.034 1.0 15.1 ? 4 LEU B N 1 4 . B ATOM 874 C CA . LEU B 1 4 ? 95.635 43.611 40.883 1.0 15.45 ? 4 LEU B CA 1 4 . B ATOM 875 C C . LEU B 1 4 ? 96.726 43.122 39.918 1.0 16.4 ? 4 LEU B C 1 4 . B ATOM 876 O O . LEU B 1 4 ? 97.522 42.252 40.274 1.0 16.78 ? 4 LEU B O 1 4 . B ATOM 877 C CB . LEU B 1 4 ? 96.240 44.055 42.200 1.0 14.19 ? 4 LEU B CB 1 4 . B ATOM 878 C CG . LEU B 1 4 ? 97.305 45.157 42.126 1.0 15.0 ? 4 LEU B CG 1 4 . B ATOM 879 C CD1 . LEU B 1 4 ? 96.681 46.480 41.712 1.0 14.2 ? 4 LEU B CD1 1 4 . B ATOM 880 C CD2 . LEU B 1 4 ? 98.041 45.301 43.447 1.0 14.54 ? 4 LEU B CD2 1 4 . B ATOM 881 N N . TYR B 1 5 ? 96.695 43.626 38.695 1.0 16.96 ? 5 TYR B N 1 5 . B ATOM 882 C CA . TYR B 1 5 ? 97.640 43.230 37.667 1.0 17.45 ? 5 TYR B CA 1 5 . B ATOM 883 C C . TYR B 1 5 ? 99.013 43.872 37.858 1.0 17.94 ? 5 TYR B C 1 5 . B ATOM 884 O O . TYR B 1 5 ? 99.119 44.996 38.349 1.0 18.43 ? 5 TYR B O 1 5 . B ATOM 885 C CB . TYR B 1 5 ? 97.111 43.610 36.282 1.0 16.73 ? 5 TYR B CB 1 5 . B ATOM 886 C CG . TYR B 1 5 ? 95.794 42.981 35.906 1.0 16.22 ? 5 TYR B CG 1 5 . B ATOM 887 C CD1 . TYR B 1 5 ? 94.592 43.575 36.267 1.0 16.64 ? 5 TYR B CD1 1 5 . B ATOM 888 C CD2 . TYR B 1 5 ? 95.747 41.806 35.168 1.0 16.23 ? 5 TYR B CD2 1 5 . B ATOM 889 C CE1 . TYR B 1 5 ? 93.379 43.004 35.915 1.0 16.87 ? 5 TYR B CE1 1 5 . B ATOM 890 C CE2 . TYR B 1 5 ? 94.541 41.229 34.808 1.0 16.09 ? 5 TYR B CE2 1 5 . B ATOM 891 C CZ . TYR B 1 5 ? 93.362 41.838 35.180 1.0 16.55 ? 5 TYR B CZ 1 5 . B ATOM 892 O OH . TYR B 1 5 ? 92.157 41.278 34.821 1.0 16.8 ? 5 TYR B OH 1 5 . B ATOM 893 N N . SER B 1 6 ? 100.054 43.142 37.446 1.0 17.74 ? 6 SER B N 1 6 . B ATOM 894 C CA . SER B 1 6 ? 101.412 43.700 37.564 1.0 17.38 ? 6 SER B CA 1 6 . B ATOM 895 C C . SER B 1 6 ? 101.448 44.990 36.749 1.0 17.46 ? 6 SER B C 1 6 . B ATOM 896 O O . SER B 1 6 ? 100.798 45.069 35.701 1.0 17.81 ? 6 SER B O 1 6 . B ATOM 897 C CB . SER B 1 6 ? 102.465 42.711 37.124 1.0 16.79 ? 6 SER B CB 1 6 . B ATOM 898 O OG . SER B 1 6 ? 102.161 42.123 35.876 1.0 16.94 ? 6 SER B OG 1 6 . B ATOM 899 N N . GLY B 1 7 ? 102.108 46.011 37.276 1.0 17.5 ? 7 GLY B N 1 7 . B ATOM 900 C CA . GLY B 1 7 ? 102.179 47.299 36.592 1.0 17.06 ? 7 GLY B CA 1 7 . B ATOM 901 C C . GLY B 1 7 ? 101.158 48.280 37.149 1.0 17.4 ? 7 GLY B C 1 7 . B ATOM 902 O O . GLY B 1 7 ? 101.147 49.457 36.771 1.0 17.76 ? 7 GLY B O 1 7 . B ATOM 903 N N . GLU B 1 8 ? 100.293 47.810 38.044 1.0 17.34 ? 8 GLU B N 1 8 . B ATOM 904 C CA . GLU B 1 8 ? 99.276 48.659 38.645 1.0 17.69 ? 8 GLU B CA 1 8 . B ATOM 905 C C . GLU B 1 8 ? 99.520 48.852 40.140 1.0 17.58 ? 8 GLU B C 1 8 . B ATOM 906 O O . GLU B 1 8 ? 100.252 48.096 40.773 1.0 17.38 ? 8 GLU B O 1 8 . B ATOM 907 C CB . GLU B 1 8 ? 97.884 48.054 38.474 1.0 18.64 ? 8 GLU B CB 1 8 . B ATOM 908 C CG . GLU B 1 8 ? 97.433 47.818 37.052 1.0 20.42 ? 8 GLU B CG 1 8 . B ATOM 909 C CD . GLU B 1 8 ? 96.006 47.293 36.992 1.0 22.95 ? 8 GLU B CD 1 8 . B ATOM 910 O OE1 . GLU B 1 8 ? 95.594 46.585 37.938 1.0 22.85 ? 8 GLU B OE1 1 8 . B ATOM 911 O OE2 . GLU B 1 8 ? 95.306 47.605 36.010 1.0 23.74 ? 8 GLU B OE2 1 8 . B ATOM 912 N N . THR B 1 9 ? 98.891 49.880 40.704 1.0 18.37 ? 9 THR B N 1 9 . B ATOM 913 C CA . THR B 1 9 ? 98.990 50.163 42.115 1.0 19.69 ? 9 THR B CA 1 9 . B ATOM 914 C C . THR B 1 9 ? 97.604 50.448 42.721 1.0 20.11 ? 9 THR B C 1 9 . B ATOM 915 O O . THR B 1 9 ? 96.646 50.768 42.038 1.0 20.18 ? 9 THR B O 1 9 . B ATOM 916 C CB . THR B 1 9 ? 99.878 51.371 42.466 1.0 20.5 ? 9 THR B CB 1 9 . B ATOM 917 O OG1 . THR B 1 9 ? 99.264 52.578 42.001 1.0 22.79 ? 9 THR B OG1 1 9 . B ATOM 918 C CG2 . THR B 1 9 ? 101.275 51.264 41.902 1.0 22.48 ? 9 THR B CG2 1 9 . B ATOM 919 N N . LEU B 1 10 ? 97.547 50.319 44.038 1.0 20.61 ? 10 LEU B N 1 10 . B ATOM 920 C CA . LEU B 1 10 ? 96.370 50.648 44.822 1.0 19.97 ? 10 LEU B CA 1 10 . B ATOM 921 C C . LEU B 1 10 ? 96.779 51.895 45.646 1.0 20.48 ? 10 LEU B C 1 10 . B ATOM 922 O O . LEU B 1 10 ? 97.720 51.782 46.427 1.0 20.18 ? 10 LEU B O 1 10 . B ATOM 923 C CB . LEU B 1 10 ? 95.964 49.563 45.798 1.0 19.47 ? 10 LEU B CB 1 10 . B ATOM 924 C CG . LEU B 1 10 ? 95.187 48.356 45.302 1.0 19.77 ? 10 LEU B CG 1 10 . B ATOM 925 C CD1 . LEU B 1 10 ? 94.909 47.379 46.439 1.0 17.47 ? 10 LEU B CD1 1 10 . B ATOM 926 C CD2 . LEU B 1 10 ? 93.879 48.778 44.640 1.0 20.36 ? 10 LEU B CD2 1 10 . B ATOM 927 N N . SER B 1 11 ? 96.154 53.015 45.362 1.0 21.84 ? 11 SER B N 1 11 . B ATOM 928 C CA . SER B 1 11 ? 96.479 54.245 46.096 1.0 22.42 ? 11 SER B CA 1 11 . B ATOM 929 C C . SER B 1 11 ? 95.841 54.192 47.479 1.0 22.25 ? 11 SER B C 1 11 . B ATOM 930 O O . SER B 1 11 ? 94.963 53.354 47.711 1.0 21.71 ? 11 SER B O 1 11 . B ATOM 931 C CB . SER B 1 11 ? 96.024 55.473 45.320 1.0 23.36 ? 11 SER B CB 1 11 . B ATOM 932 O OG . SER B 1 11 ? 96.836 55.648 44.160 1.0 28.3 ? 11 SER B OG 1 11 . B ATOM 933 N N . THR B 1 12 ? 96.299 55.044 48.388 1.0 22.26 ? 12 THR B N 1 12 . B ATOM 934 C CA . THR B 1 12 ? 95.754 55.030 49.747 1.0 23.2 ? 12 THR B CA 1 12 . B ATOM 935 C C . THR B 1 12 ? 94.237 55.107 49.703 1.0 23.21 ? 12 THR B C 1 12 . B ATOM 936 O O . THR B 1 12 ? 93.665 55.962 49.026 1.0 23.81 ? 12 THR B O 1 12 . B ATOM 937 C CB . THR B 1 12 ? 96.359 56.100 50.650 1.0 24.09 ? 12 THR B CB 1 12 . B ATOM 938 O OG1 . THR B 1 12 ? 95.381 56.553 51.600 1.0 25.73 ? 12 THR B OG1 1 12 . B ATOM 939 C CG2 . THR B 1 12 ? 96.899 57.281 49.866 1.0 23.5 ? 12 THR B CG2 1 12 . B ATOM 940 N N . GLY B 1 13 ? 93.577 54.151 50.357 1.0 23.11 ? 13 GLY B N 1 13 . B ATOM 941 C CA . GLY B 1 13 ? 92.122 54.100 50.378 1.0 22.39 ? 13 GLY B CA 1 13 . B ATOM 942 C C . GLY B 1 13 ? 91.545 53.152 49.337 1.0 21.64 ? 13 GLY B C 1 13 . B ATOM 943 O O . GLY B 1 13 ? 90.353 52.813 49.397 1.0 21.95 ? 13 GLY B O 1 13 . B ATOM 944 N N . GLU B 1 14 ? 92.357 52.736 48.369 1.0 19.96 ? 14 GLU B N 1 14 . B ATOM 945 C CA . GLU B 1 14 ? 91.885 51.816 47.335 1.0 18.44 ? 14 GLU B CA 1 14 . B ATOM 946 C C . GLU B 1 14 ? 92.012 50.389 47.837 1.0 16.75 ? 14 GLU B C 1 14 . B ATOM 947 O O . GLU B 1 14 ? 92.774 50.123 48.769 1.0 16.36 ? 14 GLU B O 1 14 . B ATOM 948 C CB . GLU B 1 14 ? 92.590 52.040 46.012 1.0 20.54 ? 14 GLU B CB 1 14 . B ATOM 949 C CG . GLU B 1 14 ? 92.535 53.502 45.574 1.0 23.85 ? 14 GLU B CG 1 14 . B ATOM 950 C CD . GLU B 1 14 ? 92.727 53.683 44.088 1.0 27.9 ? 14 GLU B CD 1 14 . B ATOM 951 O OE1 . GLU B 1 14 ? 93.619 53.026 43.507 1.0 29.33 ? 14 GLU B OE1 1 14 . B ATOM 952 O OE2 . GLU B 1 14 ? 91.982 54.506 43.502 1.0 29.47 ? 14 GLU B OE2 1 14 . B ATOM 953 N N . PHE B 1 15 ? 91.205 49.491 47.277 1.0 15.41 ? 15 PHE B N 1 15 . B ATOM 954 C CA . PHE B 1 15 ? 91.181 48.115 47.737 1.0 14.11 ? 15 PHE B CA 1 15 . B ATOM 955 C C . PHE B 1 15 ? 90.760 47.119 46.666 1.0 13.57 ? 15 PHE B C 1 15 . B ATOM 956 O O . PHE B 1 15 ? 90.301 47.469 45.587 1.0 13.04 ? 15 PHE B O 1 15 . B ATOM 957 C CB . PHE B 1 15 ? 90.108 48.018 48.875 1.0 13.27 ? 15 PHE B CB 1 15 . B ATOM 958 C CG . PHE B 1 15 ? 88.810 48.661 48.454 1.0 14.2 ? 15 PHE B CG 1 15 . B ATOM 959 C CD1 . PHE B 1 15 ? 87.864 47.953 47.735 1.0 13.82 ? 15 PHE B CD1 1 15 . B ATOM 960 C CD2 . PHE B 1 15 ? 88.552 49.991 48.761 1.0 14.43 ? 15 PHE B CD2 1 15 . B ATOM 961 C CE1 . PHE B 1 15 ? 86.690 48.554 47.322 1.0 13.72 ? 15 PHE B CE1 1 15 . B ATOM 962 C CE2 . PHE B 1 15 ? 87.388 50.603 48.349 1.0 14.28 ? 15 PHE B CE2 1 15 . B ATOM 963 C CZ . PHE B 1 15 ? 86.452 49.881 47.629 1.0 14.95 ? 15 PHE B CZ 1 15 . B ATOM 964 N N . LEU B 1 16 ? 90.916 45.846 47.018 1.0 12.53 ? 16 LEU B N 1 16 . B ATOM 965 C CA . LEU B 1 16 ? 90.442 44.741 46.187 1.0 11.96 ? 16 LEU B CA 1 16 . B ATOM 966 C C . LEU B 1 16 ? 89.181 44.239 46.936 1.0 12.62 ? 16 LEU B C 1 16 . B ATOM 967 O O . LEU B 1 16 ? 89.172 44.381 48.170 1.0 12.38 ? 16 LEU B O 1 16 . B ATOM 968 C CB . LEU B 1 16 ? 91.432 43.604 46.085 1.0 10.43 ? 16 LEU B CB 1 16 . B ATOM 969 C CG . LEU B 1 16 ? 92.755 43.818 45.360 1.0 8.94 ? 16 LEU B CG 1 16 . B ATOM 970 C CD1 . LEU B 1 16 ? 93.514 42.500 45.248 1.0 7.06 ? 16 LEU B CD1 1 16 . B ATOM 971 C CD2 . LEU B 1 16 ? 92.530 44.429 43.984 1.0 7.17 ? 16 LEU B CD2 1 16 . B ATOM 972 N N . ASN B 1 17 ? 88.183 43.751 46.227 1.0 12.48 ? 17 ASN B N 1 17 . B ATOM 973 C CA . ASN B 1 17 ? 86.991 43.280 46.924 1.0 12.63 ? 17 ASN B CA 1 17 . B ATOM 974 C C . ASN B 1 17 ? 86.419 42.024 46.289 1.0 12.26 ? 17 ASN B C 1 17 . B ATOM 975 O O . ASN B 1 17 ? 86.611 41.732 45.118 1.0 12.44 ? 17 ASN B O 1 17 . B ATOM 976 C CB . ASN B 1 17 ? 85.923 44.358 47.051 1.0 14.61 ? 17 ASN B CB 1 17 . B ATOM 977 C CG . ASN B 1 17 ? 85.169 44.648 45.773 1.0 15.03 ? 17 ASN B CG 1 17 . B ATOM 978 O OD1 . ASN B 1 17 ? 85.656 45.374 44.903 1.0 16.19 ? 17 ASN B OD1 1 17 . B ATOM 979 N ND2 . ASN B 1 17 ? 83.965 44.107 45.643 1.0 14.33 ? 17 ASN B ND2 1 17 . B ATOM 980 N N . TYR B 1 18 ? 85.703 41.271 47.107 1.0 12.34 ? 18 TYR B N 1 18 . B ATOM 981 C CA . TYR B 1 18 ? 85.031 40.062 46.696 1.0 13.16 ? 18 TYR B CA 1 18 . B ATOM 982 C C . TYR B 1 18 ? 84.070 39.624 47.803 1.0 13.35 ? 18 TYR B C 1 18 . B ATOM 983 O O . TYR B 1 18 ? 84.502 39.357 48.926 1.0 13.6 ? 18 TYR B O 1 18 . B ATOM 984 C CB . TYR B 1 18 ? 86.005 38.933 46.338 1.0 14.51 ? 18 TYR B CB 1 18 . B ATOM 985 C CG . TYR B 1 18 ? 85.239 37.777 45.708 1.0 15.98 ? 18 TYR B CG 1 18 . B ATOM 986 C CD1 . TYR B 1 18 ? 84.988 37.773 44.345 1.0 17.88 ? 18 TYR B CD1 1 18 . B ATOM 987 C CD2 . TYR B 1 18 ? 84.671 36.788 46.492 1.0 16.73 ? 18 TYR B CD2 1 18 . B ATOM 988 C CE1 . TYR B 1 18 ? 84.245 36.759 43.763 1.0 18.83 ? 18 TYR B CE1 1 18 . B ATOM 989 C CE2 . TYR B 1 18 ? 83.912 35.781 45.925 1.0 18.46 ? 18 TYR B CE2 1 18 . B ATOM 990 C CZ . TYR B 1 18 ? 83.711 35.770 44.559 1.0 19.69 ? 18 TYR B CZ 1 18 . B ATOM 991 O OH . TYR B 1 18 ? 82.974 34.761 43.983 1.0 21.88 ? 18 TYR B OH 1 18 . B ATOM 992 N N . GLY B 1 19 ? 82.785 39.577 47.473 1.0 13.25 ? 19 GLY B N 1 19 . B ATOM 993 C CA . GLY B 1 19 ? 81.781 39.205 48.488 1.0 13.53 ? 19 GLY B CA 1 19 . B ATOM 994 C C . GLY B 1 19 ? 81.991 40.125 49.700 1.0 13.67 ? 19 GLY B C 1 19 . B ATOM 995 O O . GLY B 1 19 ? 82.110 41.343 49.540 1.0 13.15 ? 19 GLY B O 1 19 . B ATOM 996 N N . SER B 1 20 ? 82.137 39.523 50.873 1.0 13.13 ? 20 SER B N 1 20 . B ATOM 997 C CA . SER B 1 20 ? 82.365 40.300 52.087 1.0 13.0 ? 20 SER B CA 1 20 . B ATOM 998 C C . SER B 1 20 ? 83.841 40.486 52.390 1.0 12.66 ? 20 SER B C 1 20 . B ATOM 999 O O . SER B 1 20 ? 84.185 40.872 53.515 1.0 13.04 ? 20 SER B O 1 20 . B ATOM 1000 C CB . SER B 1 20 ? 81.671 39.614 53.271 1.0 13.3 ? 20 SER B CB 1 20 . B ATOM 1001 O OG . SER B 1 20 ? 82.190 38.308 53.463 1.0 15.03 ? 20 SER B OG 1 20 . B ATOM 1002 N N . PHE B 1 21 ? 84.726 40.212 51.432 1.0 11.99 ? 21 PHE B N 1 21 . B ATOM 1003 C CA . PHE B 1 21 ? 86.160 40.347 51.652 1.0 10.98 ? 21 PHE B CA 1 21 . B ATOM 1004 C C . PHE B 1 21 ? 86.698 41.640 51.041 1.0 11.54 ? 21 PHE B C 1 21 . B ATOM 1005 O O . PHE B 1 21 ? 86.396 41.978 49.903 1.0 10.97 ? 21 PHE B O 1 21 . B ATOM 1006 C CB . PHE B 1 21 ? 86.937 39.164 51.099 1.0 9.02 ? 21 PHE B CB 1 21 . B ATOM 1007 C CG . PHE B 1 21 ? 86.362 37.803 51.310 1.0 7.77 ? 21 PHE B CG 1 21 . B ATOM 1008 C CD1 . PHE B 1 21 ? 85.828 37.418 52.529 1.0 6.88 ? 21 PHE B CD1 1 21 . B ATOM 1009 C CD2 . PHE B 1 21 ? 86.382 36.872 50.277 1.0 8.02 ? 21 PHE B CD2 1 21 . B ATOM 1010 C CE1 . PHE B 1 21 ? 85.294 36.158 52.707 1.0 7.25 ? 21 PHE B CE1 1 21 . B ATOM 1011 C CE2 . PHE B 1 21 ? 85.861 35.601 50.454 1.0 7.55 ? 21 PHE B CE2 1 21 . B ATOM 1012 C CZ . PHE B 1 21 ? 85.314 35.245 51.672 1.0 7.41 ? 21 PHE B CZ 1 21 . B ATOM 1013 N N . VAL B 1 22 ? 87.461 42.393 51.829 1.0 12.88 ? 22 VAL B N 1 22 . B ATOM 1014 C CA . VAL B 1 22 ? 88.061 43.638 51.389 1.0 14.37 ? 22 VAL B CA 1 22 . B ATOM 1015 C C . VAL B 1 22 ? 89.547 43.682 51.777 1.0 15.19 ? 22 VAL B C 1 22 . B ATOM 1016 O O . VAL B 1 22 ? 89.904 43.545 52.940 1.0 15.8 ? 22 VAL B O 1 22 . B ATOM 1017 C CB . VAL B 1 22 ? 87.373 44.884 51.962 1.0 15.31 ? 22 VAL B CB 1 22 . B ATOM 1018 C CG1 . VAL B 1 22 ? 88.163 46.151 51.646 1.0 13.78 ? 22 VAL B CG1 1 22 . B ATOM 1019 C CG2 . VAL B 1 22 ? 85.949 45.035 51.434 1.0 16.8 ? 22 VAL B CG2 1 22 . B ATOM 1020 N N . PHE B 1 23 ? 90.385 43.856 50.780 1.0 15.08 ? 23 PHE B N 1 23 . B ATOM 1021 C CA . PHE B 1 23 ? 91.846 43.960 50.961 1.0 14.68 ? 23 PHE B CA 1 23 . B ATOM 1022 C C . PHE B 1 23 ? 92.188 45.424 50.644 1.0 14.54 ? 23 PHE B C 1 23 . B ATOM 1023 O O . PHE B 1 23 ? 92.265 45.795 49.475 1.0 14.63 ? 23 PHE B O 1 23 . B ATOM 1024 C CB . PHE B 1 23 ? 92.528 43.016 49.993 1.0 14.47 ? 23 PHE B CB 1 23 . B ATOM 1025 C CG . PHE B 1 23 ? 93.984 42.746 50.169 1.0 15.4 ? 23 PHE B CG 1 23 . B ATOM 1026 C CD1 . PHE B 1 23 ? 94.473 42.148 51.322 1.0 15.79 ? 23 PHE B CD1 1 23 . B ATOM 1027 C CD2 . PHE B 1 23 ? 94.883 43.043 49.149 1.0 15.07 ? 23 PHE B CD2 1 23 . B ATOM 1028 C CE1 . PHE B 1 23 ? 95.821 41.880 51.471 1.0 14.8 ? 23 PHE B CE1 1 23 . B ATOM 1029 C CE2 . PHE B 1 23 ? 96.231 42.777 49.291 1.0 14.59 ? 23 PHE B CE2 1 23 . B ATOM 1030 C CZ . PHE B 1 23 ? 96.699 42.200 50.454 1.0 15.32 ? 23 PHE B CZ 1 23 . B ATOM 1031 N N . ILE B 1 24 ? 92.304 46.243 51.679 1.0 14.41 ? 24 ILE B N 1 24 . B ATOM 1032 C CA . ILE B 1 24 ? 92.501 47.672 51.493 1.0 14.39 ? 24 ILE B CA 1 24 . B ATOM 1033 C C . ILE B 1 24 ? 93.816 48.255 51.941 1.0 15.25 ? 24 ILE B C 1 24 . B ATOM 1034 O O . ILE B 1 24 ? 94.342 47.988 53.021 1.0 15.45 ? 24 ILE B O 1 24 . B ATOM 1035 C CB . ILE B 1 24 ? 91.324 48.410 52.198 1.0 12.62 ? 24 ILE B CB 1 24 . B ATOM 1036 C CG1 . ILE B 1 24 ? 91.506 49.917 52.171 1.0 11.07 ? 24 ILE B CG1 1 24 . B ATOM 1037 C CG2 . ILE B 1 24 ? 91.155 47.884 53.615 1.0 11.8 ? 24 ILE B CG2 1 24 . B ATOM 1038 C CD1 . ILE B 1 24 ? 90.358 50.690 52.790 1.0 11.83 ? 24 ILE B CD1 1 24 . B ATOM 1039 N N . MET B 1 25 ? 94.362 49.139 51.098 1.0 16.11 ? 25 MET B N 1 25 . B ATOM 1040 C CA . MET B 1 25 ? 95.606 49.859 51.400 1.0 16.69 ? 25 MET B CA 1 25 . B ATOM 1041 C C . MET B 1 25 ? 95.216 51.123 52.180 1.0 17.1 ? 25 MET B C 1 25 . B ATOM 1042 O O . MET B 1 25 ? 94.958 52.175 51.610 1.0 16.61 ? 25 MET B O 1 25 . B ATOM 1043 C CB . MET B 1 25 ? 96.342 50.203 50.118 1.0 17.13 ? 25 MET B CB 1 25 . B ATOM 1044 C CG . MET B 1 25 ? 97.600 51.031 50.250 1.0 17.35 ? 25 MET B CG 1 25 . B ATOM 1045 S SD . MET B 1 25 ? 98.976 50.191 51.041 1.0 17.35 ? 25 MET B SD 1 25 . B ATOM 1046 C CE . MET B 1 25 ? 98.738 50.640 52.751 1.0 14.5 ? 25 MET B CE 1 25 . B ATOM 1047 N N . GLN B 1 26 ? 95.106 50.979 53.494 1.0 17.93 ? 26 GLN B N 1 26 . B ATOM 1048 C CA . GLN B 1 26 ? 94.683 52.033 54.375 1.0 19.61 ? 26 GLN B CA 1 26 . B ATOM 1049 C C . GLN B 1 26 ? 95.552 53.274 54.365 1.0 21.43 ? 26 GLN B C 1 26 . B ATOM 1050 O O . GLN B 1 26 ? 96.687 53.297 53.912 1.0 21.76 ? 26 GLN B O 1 26 . B ATOM 1051 C CB . GLN B 1 26 ? 94.530 51.513 55.814 1.0 19.11 ? 26 GLN B CB 1 26 . B ATOM 1052 C CG . GLN B 1 26 ? 93.726 50.228 55.899 1.0 20.05 ? 26 GLN B CG 1 26 . B ATOM 1053 C CD . GLN B 1 26 ? 93.225 49.926 57.293 1.0 21.03 ? 26 GLN B CD 1 26 . B ATOM 1054 O OE1 . GLN B 1 26 ? 92.159 49.319 57.450 1.0 21.73 ? 26 GLN B OE1 1 26 . B ATOM 1055 N NE2 . GLN B 1 26 ? 93.968 50.331 58.315 1.0 19.68 ? 26 GLN B NE2 1 26 . B ATOM 1056 N N . GLU B 1 27 ? 94.985 54.347 54.919 1.0 23.78 ? 27 GLU B N 1 27 . B ATOM 1057 C CA . GLU B 1 27 ? 95.628 55.647 55.012 1.0 25.96 ? 27 GLU B CA 1 27 . B ATOM 1058 C C . GLU B 1 27 ? 96.803 55.641 55.978 1.0 25.36 ? 27 GLU B C 1 27 . B ATOM 1059 O O . GLU B 1 27 ? 97.796 56.339 55.778 1.0 25.61 ? 27 GLU B O 1 27 . B ATOM 1060 C CB . GLU B 1 27 ? 94.582 56.679 55.469 1.0 30.79 ? 27 GLU B CB 1 27 . B ATOM 1061 C CG . GLU B 1 27 ? 95.122 58.026 55.879 1.0 37.24 ? 27 GLU B CG 1 27 . B ATOM 1062 C CD . GLU B 1 27 ? 95.371 58.971 54.723 1.0 40.22 ? 27 GLU B CD 1 27 . B ATOM 1063 O OE1 . GLU B 1 27 ? 95.651 58.493 53.601 1.0 42.34 ? 27 GLU B OE1 1 27 . B ATOM 1064 O OE2 . GLU B 1 27 ? 95.293 60.205 54.930 1.0 41.87 ? 27 GLU B OE2 1 27 . B ATOM 1065 N N . ASP B 1 28 ? 96.718 54.816 57.017 1.0 24.21 ? 28 ASP B N 1 28 . B ATOM 1066 C CA . ASP B 1 28 ? 97.740 54.696 58.031 1.0 23.09 ? 28 ASP B CA 1 28 . B ATOM 1067 C C . ASP B 1 28 ? 98.878 53.771 57.632 1.0 22.01 ? 28 ASP B C 1 28 . B ATOM 1068 O O . ASP B 1 28 ? 99.737 53.453 58.456 1.0 22.15 ? 28 ASP B O 1 28 . B ATOM 1069 C CB . ASP B 1 28 ? 97.130 54.220 59.357 1.0 23.02 ? 28 ASP B CB 1 28 . B ATOM 1070 C CG . ASP B 1 28 ? 96.586 52.815 59.323 1.0 24.19 ? 28 ASP B CG 1 28 . B ATOM 1071 O OD1 . ASP B 1 28 ? 96.599 52.168 58.255 1.0 25.65 ? 28 ASP B OD1 1 28 . B ATOM 1072 O OD2 . ASP B 1 28 ? 96.136 52.314 60.384 1.0 23.19 ? 28 ASP B OD2 1 28 . B ATOM 1073 N N . CYS B 1 29 ? 98.867 53.278 56.406 1.0 20.98 ? 29 CYS B N 1 29 . B ATOM 1074 C CA . CYS B 1 29 ? 99.863 52.405 55.858 1.0 19.47 ? 29 CYS B CA 1 29 . B ATOM 1075 C C . CYS B 1 29 ? 99.745 50.954 56.272 1.0 17.51 ? 29 CYS B C 1 29 . B ATOM 1076 O O . CYS B 1 29 ? 100.663 50.161 56.020 1.0 17.14 ? 29 CYS B O 1 29 . B ATOM 1077 C CB . CYS B 1 29 ? 101.286 52.925 56.093 1.0 22.43 ? 29 CYS B CB 1 29 . B ATOM 1078 S SG . CYS B 1 29 ? 101.662 54.373 55.070 1.0 25.5 ? 29 CYS B SG 1 29 . B ATOM 1079 N N . ASN B 1 30 ? 98.625 50.587 56.875 1.0 15.71 ? 30 ASN B N 1 30 . B ATOM 1080 C CA . ASN B 1 30 ? 98.400 49.179 57.237 1.0 14.5 ? 30 ASN B CA 1 30 . B ATOM 1081 C C . ASN B 1 30 ? 97.614 48.551 56.078 1.0 14.68 ? 30 ASN B C 1 30 . B ATOM 1082 O O . ASN B 1 30 ? 96.662 49.166 55.586 1.0 14.27 ? 30 ASN B O 1 30 . B ATOM 1083 C CB . ASN B 1 30 ? 97.651 49.066 58.545 1.0 13.64 ? 30 ASN B CB 1 30 . B ATOM 1084 C CG . ASN B 1 30 ? 97.844 47.748 59.260 1.0 13.45 ? 30 ASN B CG 1 30 . B ATOM 1085 O OD1 . ASN B 1 30 ? 98.659 46.918 58.854 1.0 14.68 ? 30 ASN B OD1 1 30 . B ATOM 1086 N ND2 . ASN B 1 30 ? 97.098 47.535 60.339 1.0 12.31 ? 30 ASN B ND2 1 30 . B ATOM 1087 N N . LEU B 1 31 ? 98.109 47.441 55.558 1.0 14.58 ? 31 LEU B N 1 31 . B ATOM 1088 C CA . LEU B 1 31 ? 97.419 46.735 54.465 1.0 13.6 ? 31 LEU B CA 1 31 . B ATOM 1089 C C . LEU B 1 31 ? 96.662 45.584 55.146 1.0 13.94 ? 31 LEU B C 1 31 . B ATOM 1090 O O . LEU B 1 31 ? 97.274 44.684 55.712 1.0 13.55 ? 31 LEU B O 1 31 . B ATOM 1091 C CB . LEU B 1 31 ? 98.369 46.242 53.410 1.0 13.2 ? 31 LEU B CB 1 31 . B ATOM 1092 C CG . LEU B 1 31 ? 97.875 45.262 52.348 1.0 12.94 ? 31 LEU B CG 1 31 . B ATOM 1093 C CD1 . LEU B 1 31 ? 96.817 45.886 51.452 1.0 10.49 ? 31 LEU B CD1 1 31 . B ATOM 1094 C CD2 . LEU B 1 31 ? 99.045 44.746 51.510 1.0 10.92 ? 31 LEU B CD2 1 31 . B ATOM 1095 N N . VAL B 1 32 ? 95.339 45.731 55.213 1.0 13.86 ? 32 VAL B N 1 32 . B ATOM 1096 C CA . VAL B 1 32 ? 94.506 44.782 55.915 1.0 13.28 ? 32 VAL B CA 1 32 . B ATOM 1097 C C . VAL B 1 32 ? 93.516 44.043 55.027 1.0 13.59 ? 32 VAL B C 1 32 . B ATOM 1098 O O . VAL B 1 32 ? 92.978 44.565 54.058 1.0 13.47 ? 32 VAL B O 1 32 . B ATOM 1099 C CB . VAL B 1 32 ? 93.693 45.485 57.036 1.0 13.1 ? 32 VAL B CB 1 32 . B ATOM 1100 C CG1 . VAL B 1 32 ? 93.128 44.460 58.008 1.0 12.45 ? 32 VAL B CG1 1 32 . B ATOM 1101 C CG2 . VAL B 1 32 ? 94.546 46.506 57.773 1.0 12.01 ? 32 VAL B CG2 1 32 . B ATOM 1102 N N . LEU B 1 33 ? 93.277 42.788 55.396 1.0 13.28 ? 33 LEU B N 1 33 . B ATOM 1103 C CA . LEU B 1 33 ? 92.298 41.940 54.744 1.0 13.51 ? 33 LEU B CA 1 33 . B ATOM 1104 C C . LEU B 1 33 ? 91.119 41.785 55.725 1.0 14.38 ? 33 LEU B C 1 33 . B ATOM 1105 O O . LEU B 1 33 ? 91.299 41.231 56.813 1.0 14.5 ? 33 LEU B O 1 33 . B ATOM 1106 C CB . LEU B 1 33 ? 92.837 40.555 54.406 1.0 12.48 ? 33 LEU B CB 1 33 . B ATOM 1107 C CG . LEU B 1 33 ? 91.803 39.551 53.870 1.0 12.92 ? 33 LEU B CG 1 33 . B ATOM 1108 C CD1 . LEU B 1 33 ? 91.250 40.025 52.530 1.0 13.6 ? 33 LEU B CD1 1 33 . B ATOM 1109 C CD2 . LEU B 1 33 ? 92.395 38.159 53.743 1.0 11.66 ? 33 LEU B CD2 1 33 . B ATOM 1110 N N . TYR B 1 34 ? 89.971 42.341 55.357 1.0 14.72 ? 34 TYR B N 1 34 . B ATOM 1111 C CA . TYR B 1 34 ? 88.807 42.259 56.223 1.0 14.54 ? 34 TYR B CA 1 34 . B ATOM 1112 C C . TYR B 1 34 ? 87.778 41.244 55.717 1.0 14.98 ? 34 TYR B C 1 34 . B ATOM 1113 O O . TYR B 1 34 ? 87.590 41.039 54.525 1.0 14.76 ? 34 TYR B O 1 34 . B ATOM 1114 C CB . TYR B 1 34 ? 88.107 43.608 56.348 1.0 14.07 ? 34 TYR B CB 1 34 . B ATOM 1115 C CG . TYR B 1 34 ? 88.838 44.681 57.105 1.0 14.43 ? 34 TYR B CG 1 34 . B ATOM 1116 C CD1 . TYR B 1 34 ? 88.760 44.770 58.490 1.0 14.83 ? 34 TYR B CD1 1 34 . B ATOM 1117 C CD2 . TYR B 1 34 ? 89.584 45.643 56.427 1.0 14.36 ? 34 TYR B CD2 1 34 . B ATOM 1118 C CE1 . TYR B 1 34 ? 89.422 45.770 59.181 1.0 15.79 ? 34 TYR B CE1 1 34 . B ATOM 1119 C CE2 . TYR B 1 34 ? 90.243 46.647 57.106 1.0 15.31 ? 34 TYR B CE2 1 34 . B ATOM 1120 C CZ . TYR B 1 34 ? 90.161 46.703 58.483 1.0 16.36 ? 34 TYR B CZ 1 34 . B ATOM 1121 O OH . TYR B 1 34 ? 90.826 47.701 59.160 1.0 17.38 ? 34 TYR B OH 1 34 . B ATOM 1122 N N . ASP B 1 35 ? 87.123 40.618 56.676 1.0 15.72 ? 35 ASP B N 1 35 . B ATOM 1123 C CA . ASP B 1 35 ? 85.998 39.713 56.391 1.0 17.33 ? 35 ASP B CA 1 35 . B ATOM 1124 C C . ASP B 1 35 ? 84.824 40.415 57.124 1.0 18.39 ? 35 ASP B C 1 35 . B ATOM 1125 O O . ASP B 1 35 ? 84.662 40.287 58.325 1.0 18.53 ? 35 ASP B O 1 35 . B ATOM 1126 C CB . ASP B 1 35 ? 86.218 38.313 56.864 1.0 18.06 ? 35 ASP B CB 1 35 . B ATOM 1127 C CG . ASP B 1 35 ? 85.117 37.343 56.479 1.0 20.08 ? 35 ASP B CG 1 35 . B ATOM 1128 O OD1 . ASP B 1 35 ? 83.992 37.795 56.171 1.0 21.42 ? 35 ASP B OD1 1 35 . B ATOM 1129 O OD2 . ASP B 1 35 ? 85.368 36.120 56.482 1.0 21.74 ? 35 ASP B OD2 1 35 . B ATOM 1130 N N . VAL B 1 36 ? 84.132 41.257 56.368 1.0 19.05 ? 36 VAL B N 1 36 . B ATOM 1131 C CA . VAL B 1 36 ? 83.095 42.120 56.918 1.0 19.75 ? 36 VAL B CA 1 36 . B ATOM 1132 C C . VAL B 1 36 ? 83.816 43.173 57.768 1.0 20.67 ? 36 VAL B C 1 36 . B ATOM 1133 O O . VAL B 1 36 ? 84.576 43.972 57.188 1.0 21.63 ? 36 VAL B O 1 36 . B ATOM 1134 C CB . VAL B 1 36 ? 81.964 41.444 57.651 1.0 20.17 ? 36 VAL B CB 1 36 . B ATOM 1135 C CG1 . VAL B 1 36 ? 80.895 42.461 58.099 1.0 19.19 ? 36 VAL B CG1 1 36 . B ATOM 1136 C CG2 . VAL B 1 36 ? 81.278 40.384 56.782 1.0 20.27 ? 36 VAL B CG2 1 36 . B ATOM 1137 N N . ASP B 1 37 ? 83.696 43.131 59.077 1.0 21.45 ? 37 ASP B N 1 37 . B ATOM 1138 C CA . ASP B 1 37 ? 84.376 44.106 59.933 1.0 22.14 ? 37 ASP B CA 1 37 . B ATOM 1139 C C . ASP B 1 37 ? 85.481 43.446 60.751 1.0 22.65 ? 37 ASP B C 1 37 . B ATOM 1140 O O . ASP B 1 37 ? 86.040 44.055 61.667 1.0 22.77 ? 37 ASP B O 1 37 . B ATOM 1141 C CB . ASP B 1 37 ? 83.370 44.789 60.858 1.0 22.7 ? 37 ASP B CB 1 37 . B ATOM 1142 C CG . ASP B 1 37 ? 82.728 43.853 61.857 1.0 24.14 ? 37 ASP B CG 1 37 . B ATOM 1143 O OD1 . ASP B 1 37 ? 82.528 42.660 61.546 1.0 25.17 ? 37 ASP B OD1 1 37 . B ATOM 1144 O OD2 . ASP B 1 37 ? 82.406 44.304 62.981 1.0 26.05 ? 37 ASP B OD2 1 37 . B ATOM 1145 N N . LYS B 1 38 ? 85.791 42.196 60.427 1.0 22.57 ? 38 LYS B N 1 38 . B ATOM 1146 C CA . LYS B 1 38 ? 86.800 41.441 61.139 1.0 23.81 ? 38 LYS B CA 1 38 . B ATOM 1147 C C . LYS B 1 38 ? 88.119 41.349 60.387 1.0 23.1 ? 38 LYS B C 1 38 . B ATOM 1148 O O . LYS B 1 38 ? 88.210 40.768 59.309 1.0 22.84 ? 38 LYS B O 1 38 . B ATOM 1149 C CB . LYS B 1 38 ? 86.282 40.028 61.451 1.0 27.47 ? 38 LYS B CB 1 38 . B ATOM 1150 C CG . LYS B 1 38 ? 87.196 39.249 62.386 1.0 33.59 ? 38 LYS B CG 1 38 . B ATOM 1151 C CD . LYS B 1 38 ? 86.726 37.807 62.535 1.0 37.13 ? 38 LYS B CD 1 38 . B ATOM 1152 C CE . LYS B 1 38 ? 87.788 36.962 63.228 1.0 39.45 ? 38 LYS B CE 1 38 . B ATOM 1153 N NZ . LYS B 1 38 ? 87.499 35.503 63.085 1.0 41.36 ? 38 LYS B NZ 1 38 . B ATOM 1154 N N . PRO B 1 39 ? 89.162 41.911 60.985 1.0 23.2 ? 39 PRO B N 1 39 . B ATOM 1155 C CA . PRO B 1 39 ? 90.504 41.888 60.420 1.0 22.85 ? 39 PRO B CA 1 39 . B ATOM 1156 C C . PRO B 1 39 ? 91.070 40.473 60.493 1.0 22.41 ? 39 PRO B C 1 39 . B ATOM 1157 O O . PRO B 1 39 ? 91.212 39.905 61.577 1.0 22.94 ? 39 PRO B O 1 39 . B ATOM 1158 C CB . PRO B 1 39 ? 91.291 42.860 61.258 1.0 23.27 ? 39 PRO B CB 1 39 . B ATOM 1159 C CG . PRO B 1 39 ? 90.387 43.417 62.285 1.0 23.7 ? 39 PRO B CG 1 39 . B ATOM 1160 C CD . PRO B 1 39 ? 89.134 42.595 62.299 1.0 22.89 ? 39 PRO B CD 1 39 . B ATOM 1161 N N . ILE B 1 40 ? 91.346 39.892 59.338 1.0 21.09 ? 40 ILE B N 1 40 . B ATOM 1162 C CA . ILE B 1 40 ? 91.822 38.520 59.240 1.0 19.82 ? 40 ILE B CA 1 40 . B ATOM 1163 C C . ILE B 1 40 ? 93.331 38.435 59.091 1.0 18.7 ? 40 ILE B C 1 40 . B ATOM 1164 O O . ILE B 1 40 ? 93.976 37.516 59.594 1.0 19.32 ? 40 ILE B O 1 40 . B ATOM 1165 C CB . ILE B 1 40 ? 91.167 37.852 57.997 1.0 20.37 ? 40 ILE B CB 1 40 . B ATOM 1166 C CG1 . ILE B 1 40 ? 89.647 37.948 58.087 1.0 21.51 ? 40 ILE B CG1 1 40 . B ATOM 1167 C CG2 . ILE B 1 40 ? 91.619 36.417 57.845 1.0 22.51 ? 40 ILE B CG2 1 40 . B ATOM 1168 C CD1 . ILE B 1 40 ? 89.052 37.356 59.349 1.0 22.43 ? 40 ILE B CD1 1 40 . B ATOM 1169 N N . TRP B 1 41 ? 93.891 39.388 58.365 1.0 17.05 ? 41 TRP B N 1 41 . B ATOM 1170 C CA . TRP B 1 41 ? 95.324 39.422 58.084 1.0 15.74 ? 41 TRP B CA 1 41 . B ATOM 1171 C C . TRP B 1 41 ? 95.741 40.871 57.849 1.0 15.14 ? 41 TRP B C 1 41 . B ATOM 1172 O O . TRP B 1 41 ? 94.937 41.681 57.383 1.0 16.0 ? 41 TRP B O 1 41 . B ATOM 1173 C CB . TRP B 1 41 ? 95.616 38.558 56.861 1.0 14.82 ? 41 TRP B CB 1 41 . B ATOM 1174 C CG . TRP B 1 41 ? 97.050 38.459 56.457 1.0 15.57 ? 41 TRP B CG 1 41 . B ATOM 1175 C CD1 . TRP B 1 41 ? 97.923 37.447 56.749 1.0 14.8 ? 41 TRP B CD1 1 41 . B ATOM 1176 C CD2 . TRP B 1 41 ? 97.780 39.386 55.638 1.0 14.43 ? 41 TRP B CD2 1 41 . B ATOM 1177 N NE1 . TRP B 1 41 ? 99.149 37.695 56.176 1.0 14.5 ? 41 TRP B NE1 1 41 . B ATOM 1178 C CE2 . TRP B 1 41 ? 99.084 38.879 55.487 1.0 14.16 ? 41 TRP B CE2 1 41 . B ATOM 1179 C CE3 . TRP B 1 41 ? 97.450 40.601 55.028 1.0 14.0 ? 41 TRP B CE3 1 41 . B ATOM 1180 C CZ2 . TRP B 1 41 ? 100.065 39.547 54.759 1.0 13.71 ? 41 TRP B CZ2 1 41 . B ATOM 1181 C CZ3 . TRP B 1 41 ? 98.422 41.262 54.303 1.0 14.14 ? 41 TRP B CZ3 1 41 . B ATOM 1182 C CH2 . TRP B 1 41 ? 99.718 40.739 54.185 1.0 14.29 ? 41 TRP B CH2 1 41 . B ATOM 1183 N N . ALA B 1 42 ? 96.964 41.202 58.213 1.0 14.6 ? 42 ALA B N 1 42 . B ATOM 1184 C CA . ALA B 1 42 ? 97.487 42.551 58.049 1.0 14.55 ? 42 ALA B CA 1 42 . B ATOM 1185 C C . ALA B 1 42 ? 99.012 42.502 58.011 1.0 15.23 ? 42 ALA B C 1 42 . B ATOM 1186 O O . ALA B 1 42 ? 99.625 41.588 58.561 1.0 16.05 ? 42 ALA B O 1 42 . B ATOM 1187 C CB . ALA B 1 42 ? 97.027 43.444 59.198 1.0 11.7 ? 42 ALA B CB 1 42 . B ATOM 1188 N N . THR B 1 43 ? 99.615 43.505 57.401 1.0 16.38 ? 43 THR B N 1 43 . B ATOM 1189 C CA . THR B 1 43 ? 101.071 43.592 57.329 1.0 17.88 ? 43 THR B CA 1 43 . B ATOM 1190 C C . THR B 1 43 ? 101.620 44.160 58.632 1.0 20.1 ? 43 THR B C 1 43 . B ATOM 1191 O O . THR B 1 43 ? 102.820 44.103 58.908 1.0 21.96 ? 43 THR B O 1 43 . B ATOM 1192 C CB . THR B 1 43 ? 101.485 44.499 56.156 1.0 17.68 ? 43 THR B CB 1 43 . B ATOM 1193 O OG1 . THR B 1 43 ? 100.787 45.748 56.288 1.0 16.38 ? 43 THR B OG1 1 43 . B ATOM 1194 C CG2 . THR B 1 43 ? 101.122 43.859 54.826 1.0 16.48 ? 43 THR B CG2 1 43 . B ATOM 1195 N N . ASN B 1 44 ? 100.740 44.724 59.455 1.0 21.03 ? 44 ASN B N 1 44 . B ATOM 1196 C CA . ASN B 1 44 ? 101.081 45.311 60.728 1.0 21.77 ? 44 ASN B CA 1 44 . B ATOM 1197 C C . ASN B 1 44 ? 102.075 46.459 60.586 1.0 22.05 ? 44 ASN B C 1 44 . B ATOM 1198 O O . ASN B 1 44 ? 103.035 46.555 61.359 1.0 23.66 ? 44 ASN B O 1 44 . B ATOM 1199 C CB . ASN B 1 44 ? 101.631 44.269 61.706 1.0 22.88 ? 44 ASN B CB 1 44 . B ATOM 1200 C CG . ASN B 1 44 ? 100.716 43.082 61.897 1.0 24.93 ? 44 ASN B CG 1 44 . B ATOM 1201 O OD1 . ASN B 1 44 ? 99.496 43.227 61.967 1.0 25.74 ? 44 ASN B OD1 1 44 . B ATOM 1202 N ND2 . ASN B 1 44 ? 101.293 41.885 61.954 1.0 25.83 ? 44 ASN B ND2 1 44 . B ATOM 1203 N N . THR B 1 45 ? 101.861 47.324 59.605 1.0 21.14 ? 45 THR B N 1 45 . B ATOM 1204 C CA . THR B 1 45 ? 102.753 48.454 59.372 1.0 20.78 ? 45 THR B CA 1 45 . B ATOM 1205 C C . THR B 1 45 ? 102.014 49.770 59.588 1.0 21.92 ? 45 THR B C 1 45 . B ATOM 1206 O O . THR B 1 45 ? 102.483 50.836 59.200 1.0 22.05 ? 45 THR B O 1 45 . B ATOM 1207 C CB . THR B 1 45 ? 103.333 48.424 57.948 1.0 19.54 ? 45 THR B CB 1 45 . B ATOM 1208 O OG1 . THR B 1 45 ? 102.253 48.272 57.013 1.0 20.54 ? 45 THR B OG1 1 45 . B ATOM 1209 C CG2 . THR B 1 45 ? 104.307 47.269 57.784 1.0 17.93 ? 45 THR B CG2 1 45 . B ATOM 1210 N N . GLY B 1 46 ? 100.845 49.671 60.215 1.0 23.41 ? 46 GLY B N 1 46 . B ATOM 1211 C CA . GLY B 1 46 ? 100.028 50.851 60.487 1.0 25.36 ? 46 GLY B CA 1 46 . B ATOM 1212 C C . GLY B 1 46 ? 100.754 51.762 61.476 1.0 26.79 ? 46 GLY B C 1 46 . B ATOM 1213 O O . GLY B 1 46 ? 101.283 51.296 62.481 1.0 26.05 ? 46 GLY B O 1 46 . B ATOM 1214 N N . GLY B 1 47 ? 100.805 53.050 61.148 1.0 28.03 ? 47 GLY B N 1 47 . B ATOM 1215 C CA . GLY B 1 47 ? 101.469 54.028 61.993 1.0 29.52 ? 47 GLY B CA 1 47 . B ATOM 1216 C C . GLY B 1 47 ? 102.905 54.268 61.557 1.0 31.09 ? 47 GLY B C 1 47 . B ATOM 1217 O O . GLY B 1 47 ? 103.571 55.166 62.077 1.0 32.17 ? 47 GLY B O 1 47 . B ATOM 1218 N N . LEU B 1 48 ? 103.378 53.503 60.574 1.0 31.63 ? 48 LEU B N 1 48 . B ATOM 1219 C CA . LEU B 1 48 ? 104.731 53.626 60.072 1.0 32.76 ? 48 LEU B CA 1 48 . B ATOM 1220 C C . LEU B 1 48 ? 104.849 54.678 58.978 1.0 33.93 ? 48 LEU B C 1 48 . B ATOM 1221 O O . LEU B 1 48 ? 105.936 54.884 58.429 1.0 35.76 ? 48 LEU B O 1 48 . B ATOM 1222 C CB . LEU B 1 48 ? 105.266 52.296 59.549 1.0 32.81 ? 48 LEU B CB 1 48 . B ATOM 1223 C CG . LEU B 1 48 ? 105.331 51.110 60.496 1.0 34.45 ? 48 LEU B CG 1 48 . B ATOM 1224 C CD1 . LEU B 1 48 ? 106.280 50.042 59.948 1.0 36.53 ? 48 LEU B CD1 1 48 . B ATOM 1225 C CD2 . LEU B 1 48 ? 105.746 51.508 61.900 1.0 34.77 ? 48 LEU B CD2 1 48 . B ATOM 1226 N N . SER B 1 49 ? 103.749 55.320 58.639 1.0 34.38 ? 49 SER B N 1 49 . B ATOM 1227 C CA . SER B 1 49 ? 103.721 56.361 57.623 1.0 35.01 ? 49 SER B CA 1 49 . B ATOM 1228 C C . SER B 1 49 ? 102.270 56.735 57.333 1.0 36.33 ? 49 SER B C 1 49 . B ATOM 1229 O O . SER B 1 49 ? 101.358 56.143 57.921 1.0 36.71 ? 49 SER B O 1 49 . B ATOM 1230 C CB . SER B 1 49 ? 104.428 55.912 56.349 1.0 34.4 ? 49 SER B CB 1 49 . B ATOM 1231 O OG . SER B 1 49 ? 104.526 56.964 55.407 1.0 36.14 ? 49 SER B OG 1 49 . B ATOM 1232 N N . ARG B 1 50 ? 102.060 57.632 56.386 1.0 37.7 ? 50 ARG B N 1 50 . B ATOM 1233 C CA . ARG B 1 50 ? 100.718 58.045 55.998 1.0 38.92 ? 50 ARG B CA 1 50 . B ATOM 1234 C C . ARG B 1 50 ? 100.624 58.156 54.476 1.0 38.49 ? 50 ARG B C 1 50 . B ATOM 1235 O O . ARG B 1 50 ? 101.531 58.694 53.839 1.0 38.78 ? 50 ARG B O 1 50 . B ATOM 1236 C CB . ARG B 1 50 ? 100.348 59.391 56.618 1.0 42.03 ? 50 ARG B CB 1 50 . B ATOM 1237 C CG . ARG B 1 50 ? 99.708 59.320 57.985 1.0 46.46 ? 50 ARG B CG 1 50 . B ATOM 1238 C CD . ARG B 1 50 ? 98.201 59.226 57.923 1.0 48.96 ? 50 ARG B CD 1 50 . B ATOM 1239 N NE . ARG B 1 50 ? 97.558 60.222 57.112 1.0 52.23 ? 50 ARG B NE 1 50 . B ATOM 1240 C CZ . ARG B 1 50 ? 97.740 61.524 57.052 1.0 53.65 ? 50 ARG B CZ 1 50 . B ATOM 1241 N NH1 . ARG B 1 50 ? 98.643 62.144 57.802 1.0 54.48 ? 50 ARG B NH1 1 50 . B ATOM 1242 N NH2 . ARG B 1 50 ? 97.003 62.260 56.216 1.0 54.68 ? 50 ARG B NH2 1 50 . B ATOM 1243 N N . SER B 1 51 ? 99.529 57.662 53.914 1.0 36.91 ? 51 SER B N 1 51 . B ATOM 1244 C CA . SER B 1 51 ? 99.312 57.732 52.478 1.0 35.49 ? 51 SER B CA 1 51 . B ATOM 1245 C C . SER B 1 51 ? 100.254 56.840 51.688 1.0 33.15 ? 51 SER B C 1 51 . B ATOM 1246 O O . SER B 1 51 ? 100.900 57.269 50.729 1.0 31.85 ? 51 SER B O 1 51 . B ATOM 1247 C CB . SER B 1 51 ? 99.402 59.185 51.996 1.0 37.0 ? 51 SER B CB 1 51 . B ATOM 1248 O OG . SER B 1 51 ? 98.469 59.995 52.703 1.0 40.22 ? 51 SER B OG 1 51 . B ATOM 1249 N N . CYS B 1 52 ? 100.325 55.568 52.091 1.0 30.47 ? 52 CYS B N 1 52 . B ATOM 1250 C CA . CYS B 1 52 ? 101.152 54.600 51.377 1.0 27.77 ? 52 CYS B CA 1 52 . B ATOM 1251 C C . CYS B 1 52 ? 100.360 54.113 50.149 1.0 26.55 ? 52 CYS B C 1 52 . B ATOM 1252 O O . CYS B 1 52 ? 99.169 54.383 50.039 1.0 26.59 ? 52 CYS B O 1 52 . B ATOM 1253 C CB . CYS B 1 52 ? 101.487 53.387 52.232 1.0 26.52 ? 52 CYS B CB 1 52 . B ATOM 1254 S SG . CYS B 1 52 ? 102.724 53.651 53.521 1.0 26.23 ? 52 CYS B SG 1 52 . B ATOM 1255 N N . PHE B 1 53 ? 101.041 53.391 49.280 1.0 24.8 ? 53 PHE B N 1 53 . B ATOM 1256 C CA . PHE B 1 53 ? 100.399 52.822 48.102 1.0 23.93 ? 53 PHE B CA 1 53 . B ATOM 1257 C C . PHE B 1 53 ? 100.894 51.387 47.916 1.0 22.76 ? 53 PHE B C 1 53 . B ATOM 1258 O O . PHE B 1 53 ? 102.013 51.064 48.320 1.0 22.87 ? 53 PHE B O 1 53 . B ATOM 1259 C CB . PHE B 1 53 ? 100.607 53.653 46.864 1.0 26.94 ? 53 PHE B CB 1 53 . B ATOM 1260 C CG . PHE B 1 53 ? 102.014 54.040 46.531 1.0 31.05 ? 53 PHE B CG 1 53 . B ATOM 1261 C CD1 . PHE B 1 53 ? 102.583 55.179 47.077 1.0 32.9 ? 53 PHE B CD1 1 53 . B ATOM 1262 C CD2 . PHE B 1 53 ? 102.761 53.288 45.635 1.0 33.53 ? 53 PHE B CD2 1 53 . B ATOM 1263 C CE1 . PHE B 1 53 ? 103.875 55.552 46.756 1.0 35.51 ? 53 PHE B CE1 1 53 . B ATOM 1264 C CE2 . PHE B 1 53 ? 104.054 53.652 45.310 1.0 35.75 ? 53 PHE B CE2 1 53 . B ATOM 1265 C CZ . PHE B 1 53 ? 104.610 54.788 45.871 1.0 36.18 ? 53 PHE B CZ 1 53 . B ATOM 1266 N N . LEU B 1 54 ? 100.036 50.538 47.374 1.0 21.72 ? 54 LEU B N 1 54 . B ATOM 1267 C CA . LEU B 1 54 ? 100.413 49.143 47.142 1.0 20.88 ? 54 LEU B CA 1 54 . B ATOM 1268 C C . LEU B 1 54 ? 100.823 48.992 45.678 1.0 20.89 ? 54 LEU B C 1 54 . B ATOM 1269 O O . LEU B 1 54 ? 100.157 49.533 44.799 1.0 20.97 ? 54 LEU B O 1 54 . B ATOM 1270 C CB . LEU B 1 54 ? 99.279 48.199 47.503 1.0 20.62 ? 54 LEU B CB 1 54 . B ATOM 1271 C CG . LEU B 1 54 ? 99.542 46.701 47.303 1.0 20.45 ? 54 LEU B CG 1 54 . B ATOM 1272 C CD1 . LEU B 1 54 ? 100.579 46.199 48.290 1.0 19.42 ? 54 LEU B CD1 1 54 . B ATOM 1273 C CD2 . LEU B 1 54 ? 98.251 45.910 47.415 1.0 20.14 ? 54 LEU B CD2 1 54 . B ATOM 1274 N N . SER B 1 55 ? 101.913 48.283 45.433 1.0 20.67 ? 55 SER B N 1 55 . B ATOM 1275 C CA . SER B 1 55 ? 102.414 48.107 44.078 1.0 19.69 ? 55 SER B CA 1 55 . B ATOM 1276 C C . SER B 1 55 ? 102.617 46.644 43.716 1.0 19.29 ? 55 SER B C 1 55 . B ATOM 1277 O O . SER B 1 55 ? 103.309 45.902 44.415 1.0 18.35 ? 55 SER B O 1 55 . B ATOM 1278 C CB . SER B 1 55 ? 103.741 48.872 43.949 1.0 21.16 ? 55 SER B CB 1 55 . B ATOM 1279 O OG . SER B 1 55 ? 103.944 49.361 42.647 1.0 24.42 ? 55 SER B OG 1 55 . B ATOM 1280 N N . MET B 1 56 ? 101.966 46.217 42.636 1.0 18.61 ? 56 MET B N 1 56 . B ATOM 1281 C CA . MET B 1 56 ? 102.150 44.846 42.132 1.0 18.36 ? 56 MET B CA 1 56 . B ATOM 1282 C C . MET B 1 56 ? 103.157 44.988 40.975 1.0 19.13 ? 56 MET B C 1 56 . B ATOM 1283 O O . MET B 1 56 ? 102.803 45.506 39.917 1.0 20.28 ? 56 MET B O 1 56 . B ATOM 1284 C CB . MET B 1 56 ? 100.865 44.220 41.667 1.0 16.56 ? 56 MET B CB 1 56 . B ATOM 1285 C CG . MET B 1 56 ? 100.983 42.862 41.001 1.0 14.33 ? 56 MET B CG 1 56 . B ATOM 1286 S SD . MET B 1 56 ? 101.453 41.543 42.129 1.0 16.91 ? 56 MET B SD 1 56 . B ATOM 1287 C CE . MET B 1 56 ? 103.227 41.522 41.934 1.0 15.76 ? 56 MET B CE 1 56 . B ATOM 1288 N N . GLN B 1 57 ? 104.404 44.626 41.239 1.0 18.78 ? 57 GLN B N 1 57 . B ATOM 1289 C CA . GLN B 1 57 ? 105.455 44.821 40.256 1.0 18.35 ? 57 GLN B CA 1 57 . B ATOM 1290 C C . GLN B 1 57 ? 105.607 43.750 39.212 1.0 18.47 ? 57 GLN B C 1 57 . B ATOM 1291 O O . GLN B 1 57 ? 105.210 42.597 39.333 1.0 17.42 ? 57 GLN B O 1 57 . B ATOM 1292 C CB . GLN B 1 57 ? 106.784 45.085 40.993 1.0 17.6 ? 57 GLN B CB 1 57 . B ATOM 1293 C CG . GLN B 1 57 ? 106.641 46.218 42.002 1.0 15.98 ? 57 GLN B CG 1 57 . B ATOM 1294 C CD . GLN B 1 57 ? 107.927 46.548 42.716 1.0 17.88 ? 57 GLN B CD 1 57 . B ATOM 1295 O OE1 . GLN B 1 57 ? 108.060 47.649 43.259 1.0 17.81 ? 57 GLN B OE1 1 57 . B ATOM 1296 N NE2 . GLN B 1 57 ? 108.878 45.619 42.736 1.0 16.74 ? 57 GLN B NE2 1 57 . B ATOM 1297 N N . THR B 1 58 ? 106.285 44.140 38.121 1.0 19.51 ? 58 THR B N 1 58 . B ATOM 1298 C CA . THR B 1 58 ? 106.553 43.282 36.984 1.0 20.86 ? 58 THR B CA 1 58 . B ATOM 1299 C C . THR B 1 58 ? 107.668 42.287 37.239 1.0 20.06 ? 58 THR B C 1 58 . B ATOM 1300 O O . THR B 1 58 ? 107.945 41.432 36.398 1.0 20.18 ? 58 THR B O 1 58 . B ATOM 1301 C CB . THR B 1 58 ? 106.822 44.102 35.710 1.0 22.68 ? 58 THR B CB 1 58 . B ATOM 1302 O OG1 . THR B 1 58 ? 107.800 45.118 35.977 1.0 25.19 ? 58 THR B OG1 1 58 . B ATOM 1303 C CG2 . THR B 1 58 ? 105.535 44.797 35.261 1.0 22.73 ? 58 THR B CG2 1 58 . B ATOM 1304 N N . ASP B 1 59 ? 108.293 42.352 38.410 1.0 20.1 ? 59 ASP B N 1 59 . B ATOM 1305 C CA . ASP B 1 59 ? 109.319 41.397 38.804 1.0 20.58 ? 59 ASP B CA 1 59 . B ATOM 1306 C C . ASP B 1 59 ? 108.672 40.348 39.721 1.0 19.92 ? 59 ASP B C 1 59 . B ATOM 1307 O O . ASP B 1 59 ? 109.312 39.414 40.170 1.0 20.29 ? 59 ASP B O 1 59 . B ATOM 1308 C CB . ASP B 1 59 ? 110.502 42.035 39.491 1.0 23.41 ? 59 ASP B CB 1 59 . B ATOM 1309 C CG . ASP B 1 59 ? 110.228 42.627 40.852 1.0 25.76 ? 59 ASP B CG 1 59 . B ATOM 1310 O OD1 . ASP B 1 59 ? 109.066 42.628 41.305 1.0 25.64 ? 59 ASP B OD1 1 59 . B ATOM 1311 O OD2 . ASP B 1 59 ? 111.193 43.119 41.490 1.0 27.75 ? 59 ASP B OD2 1 59 . B ATOM 1312 N N . GLY B 1 60 ? 107.386 40.560 40.009 1.0 19.02 ? 60 GLY B N 1 60 . B ATOM 1313 C CA . GLY B 1 60 ? 106.624 39.650 40.832 1.0 17.95 ? 60 GLY B CA 1 60 . B ATOM 1314 C C . GLY B 1 60 ? 106.574 40.011 42.298 1.0 17.39 ? 60 GLY B C 1 60 . B ATOM 1315 O O . GLY B 1 60 ? 106.009 39.246 43.093 1.0 17.9 ? 60 GLY B O 1 60 . B ATOM 1316 N N . ASN B 1 61 ? 107.138 41.145 42.689 1.0 16.88 ? 61 ASN B N 1 61 . B ATOM 1317 C CA . ASN B 1 61 ? 107.157 41.573 44.079 1.0 16.36 ? 61 ASN B CA 1 61 . B ATOM 1318 C C . ASN B 1 61 ? 105.961 42.450 44.430 1.0 16.23 ? 61 ASN B C 1 61 . B ATOM 1319 O O . ASN B 1 61 ? 105.612 43.368 43.687 1.0 16.51 ? 61 ASN B O 1 61 . B ATOM 1320 C CB . ASN B 1 61 ? 108.446 42.359 44.369 1.0 16.75 ? 61 ASN B CB 1 61 . B ATOM 1321 C CG . ASN B 1 61 ? 108.890 42.283 45.808 1.0 17.73 ? 61 ASN B CG 1 61 . B ATOM 1322 O OD1 . ASN B 1 61 ? 108.486 41.402 46.569 1.0 18.06 ? 61 ASN B OD1 1 61 . B ATOM 1323 N ND2 . ASN B 1 61 ? 109.760 43.205 46.214 1.0 18.03 ? 61 ASN B ND2 1 61 . B ATOM 1324 N N . LEU B 1 62 ? 105.343 42.169 45.573 1.0 15.69 ? 62 LEU B N 1 62 . B ATOM 1325 C CA . LEU B 1 62 ? 104.218 42.981 46.054 1.0 14.71 ? 62 LEU B CA 1 62 . B ATOM 1326 C C . LEU B 1 62 ? 104.737 43.871 47.188 1.0 14.33 ? 62 LEU B C 1 62 . B ATOM 1327 O O . LEU B 1 62 ? 105.075 43.396 48.267 1.0 13.27 ? 62 LEU B O 1 62 . B ATOM 1328 C CB . LEU B 1 62 ? 103.060 42.110 46.516 1.0 13.55 ? 62 LEU B CB 1 62 . B ATOM 1329 C CG . LEU B 1 62 ? 101.751 42.852 46.838 1.0 12.87 ? 62 LEU B CG 1 62 . B ATOM 1330 C CD1 . LEU B 1 62 ? 101.029 43.241 45.561 1.0 11.78 ? 62 LEU B CD1 1 62 . B ATOM 1331 C CD2 . LEU B 1 62 ? 100.872 42.011 47.745 1.0 12.34 ? 62 LEU B CD2 1 62 . B ATOM 1332 N N . VAL B 1 63 ? 104.882 45.162 46.896 1.0 15.21 ? 63 VAL B N 1 63 . B ATOM 1333 C CA . VAL B 1 63 ? 105.456 46.112 47.815 1.0 16.22 ? 63 VAL B CA 1 63 . B ATOM 1334 C C . VAL B 1 63 ? 104.555 47.244 48.276 1.0 16.92 ? 63 VAL B C 1 63 . B ATOM 1335 O O . VAL B 1 63 ? 103.893 47.907 47.481 1.0 17.82 ? 63 VAL B O 1 63 . B ATOM 1336 C CB . VAL B 1 63 ? 106.692 46.803 47.140 1.0 16.61 ? 63 VAL B CB 1 63 . B ATOM 1337 C CG1 . VAL B 1 63 ? 107.453 47.616 48.171 1.0 16.47 ? 63 VAL B CG1 1 63 . B ATOM 1338 C CG2 . VAL B 1 63 ? 107.583 45.783 46.463 1.0 16.95 ? 63 VAL B CG2 1 63 . B ATOM 1339 N N . VAL B 1 64 ? 104.603 47.533 49.574 1.0 17.83 ? 64 VAL B N 1 64 . B ATOM 1340 C CA . VAL B 1 64 ? 103.893 48.682 50.139 1.0 18.87 ? 64 VAL B CA 1 64 . B ATOM 1341 C C . VAL B 1 64 ? 104.935 49.815 50.249 1.0 20.7 ? 64 VAL B C 1 64 . B ATOM 1342 O O . VAL B 1 64 ? 105.940 49.661 50.947 1.0 21.38 ? 64 VAL B O 1 64 . B ATOM 1343 C CB . VAL B 1 64 ? 103.283 48.424 51.513 1.0 18.11 ? 64 VAL B CB 1 64 . B ATOM 1344 C CG1 . VAL B 1 64 ? 102.777 49.721 52.148 1.0 15.58 ? 64 VAL B CG1 1 64 . B ATOM 1345 C CG2 . VAL B 1 64 ? 102.142 47.415 51.435 1.0 16.26 ? 64 VAL B CG2 1 64 . B ATOM 1346 N N . TYR B 1 65 ? 104.723 50.889 49.514 1.0 22.07 ? 65 TYR B N 1 65 . B ATOM 1347 C CA . TYR B 1 65 ? 105.641 52.008 49.501 1.0 23.45 ? 65 TYR B CA 1 65 . B ATOM 1348 C C . TYR B 1 65 ? 105.081 53.236 50.219 1.0 25.05 ? 65 TYR B C 1 65 . B ATOM 1349 O O . TYR B 1 65 ? 103.883 53.498 50.151 1.0 24.72 ? 65 TYR B O 1 65 . B ATOM 1350 C CB . TYR B 1 65 ? 105.909 52.448 48.049 1.0 23.39 ? 65 TYR B CB 1 65 . B ATOM 1351 C CG . TYR B 1 65 ? 106.792 51.526 47.255 1.0 24.91 ? 65 TYR B CG 1 65 . B ATOM 1352 C CD1 . TYR B 1 65 ? 108.166 51.493 47.477 1.0 25.84 ? 65 TYR B CD1 1 65 . B ATOM 1353 C CD2 . TYR B 1 65 ? 106.272 50.712 46.259 1.0 25.27 ? 65 TYR B CD2 1 65 . B ATOM 1354 C CE1 . TYR B 1 65 ? 108.990 50.667 46.738 1.0 26.76 ? 65 TYR B CE1 1 65 . B ATOM 1355 C CE2 . TYR B 1 65 ? 107.088 49.880 45.516 1.0 26.98 ? 65 TYR B CE2 1 65 . B ATOM 1356 C CZ . TYR B 1 65 ? 108.445 49.865 45.759 1.0 27.82 ? 65 TYR B CZ 1 65 . B ATOM 1357 O OH . TYR B 1 65 ? 109.265 49.036 45.026 1.0 29.63 ? 65 TYR B OH 1 65 . B ATOM 1358 N N . ASN B 1 66 ? 105.980 53.988 50.849 1.0 27.38 ? 66 ASN B N 1 66 . B ATOM 1359 C CA . ASN B 1 66 ? 105.541 55.261 51.462 1.0 30.61 ? 66 ASN B CA 1 66 . B ATOM 1360 C C . ASN B 1 66 ? 105.636 56.295 50.336 1.0 32.37 ? 66 ASN B C 1 66 . B ATOM 1361 O O . ASN B 1 66 ? 106.184 55.987 49.273 1.0 31.36 ? 66 ASN B O 1 66 . B ATOM 1362 C CB . ASN B 1 66 ? 106.332 55.626 52.675 1.0 31.93 ? 66 ASN B CB 1 66 . B ATOM 1363 C CG . ASN B 1 66 ? 107.779 55.983 52.462 1.0 33.55 ? 66 ASN B CG 1 66 . B ATOM 1364 O OD1 . ASN B 1 66 ? 108.199 56.413 51.389 1.0 33.74 ? 66 ASN B OD1 1 66 . B ATOM 1365 N ND2 . ASN B 1 66 ? 108.584 55.813 53.513 1.0 33.69 ? 66 ASN B ND2 1 66 . B ATOM 1366 N N . PRO B 1 67 ? 105.175 57.505 50.569 1.0 35.37 ? 67 PRO B N 1 67 . B ATOM 1367 C CA . PRO B 1 67 ? 105.190 58.567 49.587 1.0 37.39 ? 67 PRO B CA 1 67 . B ATOM 1368 C C . PRO B 1 67 ? 106.564 58.948 49.083 1.0 39.07 ? 67 PRO B C 1 67 . B ATOM 1369 O O . PRO B 1 67 ? 106.710 59.492 47.979 1.0 39.56 ? 67 PRO B O 1 67 . B ATOM 1370 C CB . PRO B 1 67 ? 104.501 59.733 50.276 1.0 37.94 ? 67 PRO B CB 1 67 . B ATOM 1371 C CG . PRO B 1 67 ? 103.751 59.150 51.418 1.0 37.71 ? 67 PRO B CG 1 67 . B ATOM 1372 C CD . PRO B 1 67 ? 104.506 57.916 51.833 1.0 36.55 ? 67 PRO B CD 1 67 . B ATOM 1373 N N . SER B 1 68 ? 107.611 58.655 49.846 1.0 40.12 ? 68 SER B N 1 68 . B ATOM 1374 C CA . SER B 1 68 ? 108.987 58.918 49.471 1.0 40.94 ? 68 SER B CA 1 68 . B ATOM 1375 C C . SER B 1 68 ? 109.551 57.752 48.652 1.0 40.16 ? 68 SER B C 1 68 . B ATOM 1376 O O . SER B 1 68 ? 110.727 57.709 48.315 1.0 40.65 ? 68 SER B O 1 68 . B ATOM 1377 C CB . SER B 1 68 ? 109.867 59.109 50.713 1.0 42.23 ? 68 SER B CB 1 68 . B ATOM 1378 O OG . SER B 1 68 ? 109.393 60.172 51.519 1.0 45.02 ? 68 SER B OG 1 68 . B ATOM 1379 N N . ASN B 1 69 ? 108.701 56.779 48.367 1.0 39.25 ? 69 ASN B N 1 69 . B ATOM 1380 C CA . ASN B 1 69 ? 109.031 55.607 47.602 1.0 38.49 ? 69 ASN B CA 1 69 . B ATOM 1381 C C . ASN B 1 69 ? 109.905 54.622 48.357 1.0 36.81 ? 69 ASN B C 1 69 . B ATOM 1382 O O . ASN B 1 69 ? 110.721 53.914 47.762 1.0 35.46 ? 69 ASN B O 1 69 . B ATOM 1383 C CB . ASN B 1 69 ? 109.623 55.973 46.240 1.0 42.87 ? 69 ASN B CB 1 69 . B ATOM 1384 C CG . ASN B 1 69 ? 108.608 56.685 45.357 1.0 45.8 ? 69 ASN B CG 1 69 . B ATOM 1385 O OD1 . ASN B 1 69 ? 107.435 56.794 45.723 1.0 47.49 ? 69 ASN B OD1 1 69 . B ATOM 1386 N ND2 . ASN B 1 69 ? 109.057 57.192 44.218 1.0 47.33 ? 69 ASN B ND2 1 69 . B ATOM 1387 N N . LYS B 1 70 ? 109.695 54.524 49.672 1.0 34.96 ? 70 LYS B N 1 70 . B ATOM 1388 C CA . LYS B 1 70 ? 110.431 53.578 50.492 1.0 33.64 ? 70 LYS B CA 1 70 . B ATOM 1389 C C . LYS B 1 70 ? 109.565 52.357 50.807 1.0 31.18 ? 70 LYS B C 1 70 . B ATOM 1390 O O . LYS B 1 70 ? 108.412 52.488 51.206 1.0 30.72 ? 70 LYS B O 1 70 . B ATOM 1391 C CB . LYS B 1 70 ? 110.904 54.205 51.815 1.0 38.39 ? 70 LYS B CB 1 70 . B ATOM 1392 C CG . LYS B 1 70 ? 111.561 53.175 52.722 1.0 42.66 ? 70 LYS B CG 1 70 . B ATOM 1393 C CD . LYS B 1 70 ? 112.012 53.713 54.058 1.0 45.5 ? 70 LYS B CD 1 70 . B ATOM 1394 C CE . LYS B 1 70 ? 112.894 52.677 54.767 1.0 47.05 ? 70 LYS B CE 1 70 . B ATOM 1395 N NZ . LYS B 1 70 ? 112.649 52.661 56.235 1.0 48.2 ? 70 LYS B NZ 1 70 . B ATOM 1396 N N . PRO B 1 71 ? 110.138 51.173 50.647 1.0 29.57 ? 71 PRO B N 1 71 . B ATOM 1397 C CA . PRO B 1 71 ? 109.448 49.931 50.916 1.0 28.6 ? 71 PRO B CA 1 71 . B ATOM 1398 C C . PRO B 1 71 ? 109.151 49.753 52.398 1.0 28.19 ? 71 PRO B C 1 71 . B ATOM 1399 O O . PRO B 1 71 ? 110.047 49.553 53.216 1.0 29.43 ? 71 PRO B O 1 71 . B ATOM 1400 C CB . PRO B 1 71 ? 110.369 48.847 50.405 1.0 28.18 ? 71 PRO B CB 1 71 . B ATOM 1401 C CG . PRO B 1 71 ? 111.521 49.504 49.766 1.0 28.12 ? 71 PRO B CG 1 71 . B ATOM 1402 C CD . PRO B 1 71 ? 111.521 50.945 50.175 1.0 28.85 ? 71 PRO B CD 1 71 . B ATOM 1403 N N . ILE B 1 72 ? 107.875 49.837 52.741 1.0 26.93 ? 72 ILE B N 1 72 . B ATOM 1404 C CA . ILE B 1 72 ? 107.424 49.664 54.123 1.0 25.31 ? 72 ILE B CA 1 72 . B ATOM 1405 C C . ILE B 1 72 ? 107.171 48.176 54.373 1.0 23.79 ? 72 ILE B C 1 72 . B ATOM 1406 O O . ILE B 1 72 ? 107.269 47.669 55.482 1.0 24.01 ? 72 ILE B O 1 72 . B ATOM 1407 C CB . ILE B 1 72 ? 106.125 50.458 54.356 1.0 26.65 ? 72 ILE B CB 1 72 . B ATOM 1408 C CG1 . ILE B 1 72 ? 106.290 51.912 53.902 1.0 27.83 ? 72 ILE B CG1 1 72 . B ATOM 1409 C CG2 . ILE B 1 72 ? 105.669 50.394 55.800 1.0 25.0 ? 72 ILE B CG2 1 72 . B ATOM 1410 C CD1 . ILE B 1 72 ? 107.396 52.669 54.605 1.0 29.56 ? 72 ILE B CD1 1 72 . B ATOM 1411 N N . TRP B 1 73 ? 106.849 47.471 53.291 1.0 21.95 ? 73 TRP B N 1 73 . B ATOM 1412 C CA . TRP B 1 73 ? 106.566 46.043 53.339 1.0 19.11 ? 73 TRP B CA 1 73 . B ATOM 1413 C C . TRP B 1 73 ? 106.694 45.439 51.942 1.0 18.29 ? 73 TRP B C 1 73 . B ATOM 1414 O O . TRP B 1 73 ? 106.535 46.137 50.942 1.0 18.0 ? 73 TRP B O 1 73 . B ATOM 1415 C CB . TRP B 1 73 ? 105.155 45.807 53.890 1.0 17.59 ? 73 TRP B CB 1 73 . B ATOM 1416 C CG . TRP B 1 73 ? 104.759 44.367 53.968 1.0 16.8 ? 73 TRP B CG 1 73 . B ATOM 1417 C CD1 . TRP B 1 73 ? 104.928 43.526 55.031 1.0 16.79 ? 73 TRP B CD1 1 73 . B ATOM 1418 C CD2 . TRP B 1 73 ? 104.139 43.586 52.937 1.0 16.54 ? 73 TRP B CD2 1 73 . B ATOM 1419 N NE1 . TRP B 1 73 ? 104.458 42.269 54.722 1.0 16.21 ? 73 TRP B NE1 1 73 . B ATOM 1420 C CE2 . TRP B 1 73 ? 103.970 42.279 53.441 1.0 15.35 ? 73 TRP B CE2 1 73 . B ATOM 1421 C CE3 . TRP B 1 73 ? 103.712 43.866 51.632 1.0 16.04 ? 73 TRP B CE3 1 73 . B ATOM 1422 C CZ2 . TRP B 1 73 ? 103.384 41.260 52.695 1.0 13.9 ? 73 TRP B CZ2 1 73 . B ATOM 1423 C CZ3 . TRP B 1 73 ? 103.134 42.850 50.892 1.0 14.63 ? 73 TRP B CZ3 1 73 . B ATOM 1424 C CH2 . TRP B 1 73 ? 102.976 41.564 51.426 1.0 13.95 ? 73 TRP B CH2 1 73 . B ATOM 1425 N N . ALA B 1 74 ? 107.015 44.156 51.876 1.0 17.65 ? 74 ALA B N 1 74 . B ATOM 1426 C CA . ALA B 1 74 ? 107.137 43.443 50.614 1.0 17.03 ? 74 ALA B CA 1 74 . B ATOM 1427 C C . ALA B 1 74 ? 106.865 41.955 50.839 1.0 17.11 ? 74 ALA B C 1 74 . B ATOM 1428 O O . ALA B 1 74 ? 107.058 41.441 51.940 1.0 17.34 ? 74 ALA B O 1 74 . B ATOM 1429 C CB . ALA B 1 74 ? 108.500 43.640 49.985 1.0 15.9 ? 74 ALA B CB 1 74 . B ATOM 1430 N N . SER B 1 75 ? 106.411 41.276 49.790 1.0 17.12 ? 75 SER B N 1 75 . B ATOM 1431 C CA . SER B 1 75 ? 106.150 39.840 49.878 1.0 16.46 ? 75 SER B CA 1 75 . B ATOM 1432 C C . SER B 1 75 ? 107.452 39.073 49.650 1.0 17.02 ? 75 SER B C 1 75 . B ATOM 1433 O O . SER B 1 75 ? 107.518 37.871 49.859 1.0 16.82 ? 75 SER B O 1 75 . B ATOM 1434 C CB . SER B 1 75 ? 105.093 39.403 48.876 1.0 15.58 ? 75 SER B CB 1 75 . B ATOM 1435 O OG . SER B 1 75 ? 105.475 39.672 47.545 1.0 14.36 ? 75 SER B OG 1 75 . B ATOM 1436 N N . ASN B 1 76 ? 108.473 39.786 49.187 1.0 18.18 ? 76 ASN B N 1 76 . B ATOM 1437 C CA . ASN B 1 76 ? 109.789 39.244 48.925 1.0 20.02 ? 76 ASN B CA 1 76 . B ATOM 1438 C C . ASN B 1 76 ? 109.767 38.201 47.814 1.0 21.09 ? 76 ASN B C 1 76 . B ATOM 1439 O O . ASN B 1 76 ? 110.523 37.228 47.846 1.0 22.2 ? 76 ASN B O 1 76 . B ATOM 1440 C CB . ASN B 1 76 ? 110.421 38.662 50.189 1.0 19.08 ? 76 ASN B CB 1 76 . B ATOM 1441 C CG . ASN B 1 76 ? 111.007 39.675 51.140 1.0 19.92 ? 76 ASN B CG 1 76 . B ATOM 1442 O OD1 . ASN B 1 76 ? 111.230 40.845 50.819 1.0 17.94 ? 76 ASN B OD1 1 76 . B ATOM 1443 N ND2 . ASN B 1 76 ? 111.290 39.225 52.364 1.0 18.16 ? 76 ASN B ND2 1 76 . B ATOM 1444 N N . THR B 1 77 ? 108.905 38.403 46.820 1.0 21.81 ? 77 THR B N 1 77 . B ATOM 1445 C CA . THR B 1 77 ? 108.769 37.463 45.715 1.0 21.77 ? 77 THR B CA 1 77 . B ATOM 1446 C C . THR B 1 77 ? 109.310 38.023 44.411 1.0 23.58 ? 77 THR B C 1 77 . B ATOM 1447 O O . THR B 1 77 ? 109.005 37.517 43.328 1.0 23.65 ? 77 THR B O 1 77 . B ATOM 1448 C CB . THR B 1 77 ? 107.305 37.023 45.540 1.0 19.56 ? 77 THR B CB 1 77 . B ATOM 1449 O OG1 . THR B 1 77 ? 106.460 38.182 45.503 1.0 18.57 ? 77 THR B OG1 1 77 . B ATOM 1450 C CG2 . THR B 1 77 ? 106.877 36.140 46.707 1.0 18.23 ? 77 THR B CG2 1 77 . B ATOM 1451 N N . GLY B 1 78 ? 110.135 39.066 44.511 1.0 25.49 ? 78 GLY B N 1 78 . B ATOM 1452 C CA . GLY B 1 78 ? 110.752 39.667 43.331 1.0 28.32 ? 78 GLY B CA 1 78 . B ATOM 1453 C C . GLY B 1 78 ? 111.603 38.625 42.601 1.0 30.3 ? 78 GLY B C 1 78 . B ATOM 1454 O O . GLY B 1 78 ? 111.919 37.573 43.152 1.0 30.34 ? 78 GLY B O 1 78 . B ATOM 1455 N N . GLY B 1 79 ? 111.948 38.914 41.351 1.0 32.47 ? 79 GLY B N 1 79 . B ATOM 1456 C CA . GLY B 1 79 ? 112.753 38.004 40.554 1.0 34.65 ? 79 GLY B CA 1 79 . B ATOM 1457 C C . GLY B 1 79 ? 112.467 38.113 39.063 1.0 35.47 ? 79 GLY B C 1 79 . B ATOM 1458 O O . GLY B 1 79 ? 112.695 39.149 38.437 1.0 35.23 ? 79 GLY B O 1 79 . B ATOM 1459 N N . GLN B 1 80 ? 111.981 37.019 38.483 1.0 35.61 ? 80 GLN B N 1 80 . B ATOM 1460 C CA . GLN B 1 80 ? 111.677 36.965 37.063 1.0 36.11 ? 80 GLN B CA 1 80 . B ATOM 1461 C C . GLN B 1 80 ? 110.760 38.100 36.623 1.0 34.4 ? 80 GLN B C 1 80 . B ATOM 1462 O O . GLN B 1 80 ? 109.663 38.283 37.152 1.0 32.96 ? 80 GLN B O 1 80 . B ATOM 1463 C CB . GLN B 1 80 ? 111.041 35.611 36.716 1.0 39.22 ? 80 GLN B CB 1 80 . B ATOM 1464 C CG . GLN B 1 80 ? 111.230 35.196 35.266 1.0 44.74 ? 80 GLN B CG 1 80 . B ATOM 1465 C CD . GLN B 1 80 ? 110.190 34.194 34.808 1.0 47.07 ? 80 GLN B CD 1 80 . B ATOM 1466 O OE1 . GLN B 1 80 ? 109.722 33.361 35.588 1.0 48.74 ? 80 GLN B OE1 1 80 . B ATOM 1467 N NE2 . GLN B 1 80 ? 109.810 34.281 33.535 1.0 48.57 ? 80 GLN B NE2 1 80 . B ATOM 1468 N N . ASN B 1 81 ? 111.227 38.879 35.648 1.0 33.45 ? 81 ASN B N 1 81 . B ATOM 1469 C CA . ASN B 1 81 ? 110.419 39.977 35.118 1.0 33.27 ? 81 ASN B CA 1 81 . B ATOM 1470 C C . ASN B 1 81 ? 109.357 39.394 34.182 1.0 31.27 ? 81 ASN B C 1 81 . B ATOM 1471 O O . ASN B 1 81 ? 109.670 38.519 33.369 1.0 31.34 ? 81 ASN B O 1 81 . B ATOM 1472 C CB . ASN B 1 81 ? 111.278 40.998 34.380 1.0 38.08 ? 81 ASN B CB 1 81 . B ATOM 1473 C CG . ASN B 1 81 ? 110.581 42.340 34.232 1.0 41.72 ? 81 ASN B CG 1 81 . B ATOM 1474 O OD1 . ASN B 1 81 ? 110.094 42.697 33.156 1.0 43.62 ? 81 ASN B OD1 1 81 . B ATOM 1475 N ND2 . ASN B 1 81 ? 110.523 43.089 35.331 1.0 43.45 ? 81 ASN B ND2 1 81 . B ATOM 1476 N N . GLY B 1 82 ? 108.118 39.852 34.325 1.0 28.1 ? 82 GLY B N 1 82 . B ATOM 1477 C CA . GLY B 1 82 ? 107.040 39.356 33.487 1.0 25.13 ? 82 GLY B CA 1 82 . B ATOM 1478 C C . GLY B 1 82 ? 105.674 39.863 33.919 1.0 22.91 ? 82 GLY B C 1 82 . B ATOM 1479 O O . GLY B 1 82 ? 105.525 40.955 34.461 1.0 22.47 ? 82 GLY B O 1 82 . B ATOM 1480 N N . ASN B 1 83 ? 104.649 39.058 33.625 1.0 20.76 ? 83 ASN B N 1 83 . B ATOM 1481 C CA . ASN B 1 83 ? 103.279 39.409 33.966 1.0 18.59 ? 83 ASN B CA 1 83 . B ATOM 1482 C C . ASN B 1 83 ? 102.792 38.565 35.136 1.0 17.23 ? 83 ASN B C 1 83 . B ATOM 1483 O O . ASN B 1 83 ? 102.856 37.342 35.118 1.0 16.89 ? 83 ASN B O 1 83 . B ATOM 1484 C CB . ASN B 1 83 ? 102.348 39.267 32.766 1.0 19.32 ? 83 ASN B CB 1 83 . B ATOM 1485 C CG . ASN B 1 83 ? 102.725 40.234 31.651 1.0 20.95 ? 83 ASN B CG 1 83 . B ATOM 1486 O OD1 . ASN B 1 83 ? 102.861 41.433 31.889 1.0 20.39 ? 83 ASN B OD1 1 83 . B ATOM 1487 N ND2 . ASN B 1 83 ? 102.922 39.700 30.454 1.0 20.87 ? 83 ASN B ND2 1 83 . B ATOM 1488 N N . TYR B 1 84 ? 102.388 39.253 36.196 1.0 15.92 ? 84 TYR B N 1 84 . B ATOM 1489 C CA . TYR B 1 84 ? 101.905 38.626 37.413 1.0 14.63 ? 84 TYR B CA 1 84 . B ATOM 1490 C C . TYR B 1 84 ? 100.544 39.215 37.793 1.0 13.81 ? 84 TYR B C 1 84 . B ATOM 1491 O O . TYR B 1 84 ? 100.192 40.302 37.335 1.0 13.5 ? 84 TYR B O 1 84 . B ATOM 1492 C CB . TYR B 1 84 ? 102.875 38.920 38.576 1.0 14.46 ? 84 TYR B CB 1 84 . B ATOM 1493 C CG . TYR B 1 84 ? 104.240 38.293 38.419 1.0 15.06 ? 84 TYR B CG 1 84 . B ATOM 1494 C CD1 . TYR B 1 84 ? 105.258 38.943 37.727 1.0 15.11 ? 84 TYR B CD1 1 84 . B ATOM 1495 C CD2 . TYR B 1 84 ? 104.511 37.044 38.964 1.0 14.64 ? 84 TYR B CD2 1 84 . B ATOM 1496 C CE1 . TYR B 1 84 ? 106.503 38.358 37.572 1.0 15.32 ? 84 TYR B CE1 1 84 . B ATOM 1497 C CE2 . TYR B 1 84 ? 105.757 36.459 38.822 1.0 14.99 ? 84 TYR B CE2 1 84 . B ATOM 1498 C CZ . TYR B 1 84 ? 106.745 37.120 38.126 1.0 15.79 ? 84 TYR B CZ 1 84 . B ATOM 1499 O OH . TYR B 1 84 ? 107.979 36.529 37.986 1.0 17.58 ? 84 TYR B OH 1 84 . B ATOM 1500 N N . VAL B 1 85 ? 99.803 38.505 38.632 1.0 13.02 ? 85 VAL B N 1 85 . B ATOM 1501 C CA . VAL B 1 85 ? 98.532 38.980 39.131 1.0 12.04 ? 85 VAL B CA 1 85 . B ATOM 1502 C C . VAL B 1 85 ? 98.403 38.695 40.636 1.0 11.69 ? 85 VAL B C 1 85 . B ATOM 1503 O O . VAL B 1 85 ? 98.799 37.631 41.102 1.0 11.25 ? 85 VAL B O 1 85 . B ATOM 1504 C CB . VAL B 1 85 ? 97.306 38.348 38.450 1.0 12.08 ? 85 VAL B CB 1 85 . B ATOM 1505 C CG1 . VAL B 1 85 ? 97.061 38.922 37.067 1.0 12.36 ? 85 VAL B CG1 1 85 . B ATOM 1506 C CG2 . VAL B 1 85 ? 97.444 36.831 38.405 1.0 12.38 ? 85 VAL B CG2 1 85 . B ATOM 1507 N N . CYS B 1 86 ? 97.859 39.665 41.356 1.0 11.37 ? 86 CYS B N 1 86 . B ATOM 1508 C CA . CYS B 1 86 ? 97.572 39.491 42.781 1.0 11.35 ? 86 CYS B CA 1 86 . B ATOM 1509 C C . CYS B 1 86 ? 96.036 39.405 42.889 1.0 11.36 ? 86 CYS B C 1 86 . B ATOM 1510 O O . CYS B 1 86 ? 95.344 40.328 42.450 1.0 11.16 ? 86 CYS B O 1 86 . B ATOM 1511 C CB . CYS B 1 86 ? 98.098 40.624 43.633 1.0 11.64 ? 86 CYS B CB 1 86 . B ATOM 1512 S SG . CYS B 1 86 ? 97.604 40.500 45.382 1.0 14.71 ? 86 CYS B SG 1 86 . B ATOM 1513 N N . ILE B 1 87 ? 95.529 38.275 43.359 1.0 11.05 ? 87 ILE B N 1 87 . B ATOM 1514 C CA . ILE B 1 87 ? 94.102 38.041 43.403 1.0 10.34 ? 87 ILE B CA 1 87 . B ATOM 1515 C C . ILE B 1 87 ? 93.518 37.839 44.790 1.0 10.93 ? 87 ILE B C 1 87 . B ATOM 1516 O O . ILE B 1 87 ? 93.997 37.011 45.567 1.0 10.7 ? 87 ILE B O 1 87 . B ATOM 1517 C CB . ILE B 1 87 ? 93.760 36.750 42.592 1.0 9.36 ? 87 ILE B CB 1 87 . B ATOM 1518 C CG1 . ILE B 1 87 ? 94.250 36.840 41.152 1.0 8.95 ? 87 ILE B CG1 1 87 . B ATOM 1519 C CG2 . ILE B 1 87 ? 92.265 36.475 42.624 1.0 9.56 ? 87 ILE B CG2 1 87 . B ATOM 1520 C CD1 . ILE B 1 87 ? 94.045 35.555 40.362 1.0 8.66 ? 87 ILE B CD1 1 87 . B ATOM 1521 N N . LEU B 1 88 ? 92.418 38.545 45.064 1.0 11.2 ? 88 LEU B N 1 88 . B ATOM 1522 C CA . LEU B 1 88 ? 91.676 38.305 46.323 1.0 11.31 ? 88 LEU B CA 1 88 . B ATOM 1523 C C . LEU B 1 88 ? 90.620 37.250 45.925 1.0 12.0 ? 88 LEU B C 1 88 . B ATOM 1524 O O . LEU B 1 88 ? 89.645 37.581 45.260 1.0 12.34 ? 88 LEU B O 1 88 . B ATOM 1525 C CB . LEU B 1 88 ? 91.050 39.551 46.870 1.0 11.0 ? 88 LEU B CB 1 88 . B ATOM 1526 C CG . LEU B 1 88 ? 89.929 39.459 47.902 1.0 11.05 ? 88 LEU B CG 1 88 . B ATOM 1527 C CD1 . LEU B 1 88 ? 90.168 38.378 48.942 1.0 10.02 ? 88 LEU B CD1 1 88 . B ATOM 1528 C CD2 . LEU B 1 88 ? 89.742 40.808 48.596 1.0 11.7 ? 88 LEU B CD2 1 88 . B ATOM 1529 N N . GLN B 1 89 ? 90.912 35.992 46.208 1.0 12.29 ? 89 GLN B N 1 89 . B ATOM 1530 C CA . GLN B 1 89 ? 90.092 34.885 45.784 1.0 13.12 ? 89 GLN B CA 1 89 . B ATOM 1531 C C . GLN B 1 89 ? 88.776 34.698 46.493 1.0 13.88 ? 89 GLN B C 1 89 . B ATOM 1532 O O . GLN B 1 89 ? 88.529 35.193 47.587 1.0 14.24 ? 89 GLN B O 1 89 . B ATOM 1533 C CB . GLN B 1 89 ? 90.926 33.575 45.874 1.0 12.45 ? 89 GLN B CB 1 89 . B ATOM 1534 C CG . GLN B 1 89 ? 92.209 33.687 45.065 1.0 13.51 ? 89 GLN B CG 1 89 . B ATOM 1535 C CD . GLN B 1 89 ? 93.004 32.409 44.999 1.0 13.99 ? 89 GLN B CD 1 89 . B ATOM 1536 O OE1 . GLN B 1 89 ? 93.852 32.249 44.109 1.0 14.32 ? 89 GLN B OE1 1 89 . B ATOM 1537 N NE2 . GLN B 1 89 ? 92.764 31.500 45.934 1.0 13.66 ? 89 GLN B NE2 1 89 . B ATOM 1538 N N . LYS B 1 90 ? 87.917 33.854 45.891 1.0 14.27 ? 90 LYS B N 1 90 . B ATOM 1539 C CA . LYS B 1 90 ? 86.614 33.546 46.461 1.0 14.87 ? 90 LYS B CA 1 90 . B ATOM 1540 C C . LYS B 1 90 ? 86.722 32.725 47.733 1.0 14.51 ? 90 LYS B C 1 90 . B ATOM 1541 O O . LYS B 1 90 ? 85.795 32.742 48.547 1.0 15.41 ? 90 LYS B O 1 90 . B ATOM 1542 C CB . LYS B 1 90 ? 85.707 32.876 45.439 1.0 15.64 ? 90 LYS B CB 1 90 . B ATOM 1543 C CG . LYS B 1 90 ? 86.285 31.629 44.785 1.0 16.77 ? 90 LYS B CG 1 90 . B ATOM 1544 C CD . LYS B 1 90 ? 85.389 31.182 43.636 1.0 17.27 ? 90 LYS B CD 1 90 . B ATOM 1545 C CE . LYS B 1 90 ? 85.716 29.767 43.197 1.0 18.47 ? 90 LYS B CE 1 90 . B ATOM 1546 N NZ . LYS B 1 90 ? 84.915 29.378 41.998 1.0 20.02 ? 90 LYS B NZ 1 90 . B ATOM 1547 N N . ASP B 1 91 ? 87.844 32.056 47.957 1.0 14.35 ? 91 ASP B N 1 91 . B ATOM 1548 C CA . ASP B 1 91 ? 88.085 31.268 49.148 1.0 14.4 ? 91 ASP B CA 1 91 . B ATOM 1549 C C . ASP B 1 91 ? 88.752 32.067 50.262 1.0 14.59 ? 91 ASP B C 1 91 . B ATOM 1550 O O . ASP B 1 91 ? 89.275 31.498 51.229 1.0 15.21 ? 91 ASP B O 1 91 . B ATOM 1551 C CB . ASP B 1 91 ? 88.914 30.022 48.835 1.0 14.48 ? 91 ASP B CB 1 91 . B ATOM 1552 C CG . ASP B 1 91 ? 90.340 30.287 48.425 1.0 14.7 ? 91 ASP B CG 1 91 . B ATOM 1553 O OD1 . ASP B 1 91 ? 90.772 31.457 48.339 1.0 15.29 ? 91 ASP B OD1 1 91 . B ATOM 1554 O OD2 . ASP B 1 91 ? 91.071 29.302 48.163 1.0 14.81 ? 91 ASP B OD2 1 91 . B ATOM 1555 N N . ARG B 1 92 ? 88.827 33.378 50.121 1.0 14.36 ? 92 ARG B N 1 92 . B ATOM 1556 C CA . ARG B 1 92 ? 89.390 34.294 51.068 1.0 14.05 ? 92 ARG B CA 1 92 . B ATOM 1557 C C . ARG B 1 92 ? 90.904 34.370 51.065 1.0 13.62 ? 92 ARG B C 1 92 . B ATOM 1558 O O . ARG B 1 92 ? 91.484 35.131 51.858 1.0 13.28 ? 92 ARG B O 1 92 . B ATOM 1559 C CB . ARG B 1 92 ? 88.891 34.044 52.508 1.0 14.37 ? 92 ARG B CB 1 92 . B ATOM 1560 C CG . ARG B 1 92 ? 88.940 35.314 53.357 1.0 16.22 ? 92 ARG B CG 1 92 . B ATOM 1561 C CD . ARG B 1 92 ? 88.377 35.113 54.745 1.0 17.55 ? 92 ARG B CD 1 92 . B ATOM 1562 N NE . ARG B 1 92 ? 89.105 34.131 55.531 1.0 19.7 ? 92 ARG B NE 1 92 . B ATOM 1563 C CZ . ARG B 1 92 ? 88.797 33.747 56.764 1.0 21.11 ? 92 ARG B CZ 1 92 . B ATOM 1564 N NH1 . ARG B 1 92 ? 87.758 34.272 57.401 1.0 20.64 ? 92 ARG B NH1 1 92 . B ATOM 1565 N NH2 . ARG B 1 92 ? 89.538 32.831 57.380 1.0 21.37 ? 92 ARG B NH2 1 92 . B ATOM 1566 N N . ASN B 1 93 ? 91.558 33.627 50.185 1.0 13.25 ? 93 ASN B N 1 93 . B ATOM 1567 C CA . ASN B 1 93 ? 93.025 33.667 50.127 1.0 13.38 ? 93 ASN B CA 1 93 . B ATOM 1568 C C . ASN B 1 93 ? 93.462 34.778 49.178 1.0 13.47 ? 93 ASN B C 1 93 . B ATOM 1569 O O . ASN B 1 93 ? 92.756 35.050 48.198 1.0 13.62 ? 93 ASN B O 1 93 . B ATOM 1570 C CB . ASN B 1 93 ? 93.555 32.313 49.669 1.0 12.53 ? 93 ASN B CB 1 93 . B ATOM 1571 C CG . ASN B 1 93 ? 94.952 32.016 50.160 1.0 13.52 ? 93 ASN B CG 1 93 . B ATOM 1572 O OD1 . ASN B 1 93 ? 95.586 32.831 50.831 1.0 13.23 ? 93 ASN B OD1 1 93 . B ATOM 1573 N ND2 . ASN B 1 93 ? 95.449 30.827 49.828 1.0 12.91 ? 93 ASN B ND2 1 93 . B ATOM 1574 N N . VAL B 1 94 ? 94.542 35.467 49.516 1.0 13.07 ? 94 VAL B N 1 94 . B ATOM 1575 C CA . VAL B 1 94 ? 95.082 36.502 48.618 1.0 13.11 ? 94 VAL B CA 1 94 . B ATOM 1576 C C . VAL B 1 94 ? 96.389 35.917 48.059 1.0 14.0 ? 94 VAL B C 1 94 . B ATOM 1577 O O . VAL B 1 94 ? 97.336 35.714 48.818 1.0 15.11 ? 94 VAL B O 1 94 . B ATOM 1578 C CB . VAL B 1 94 ? 95.342 37.843 49.279 1.0 12.46 ? 94 VAL B CB 1 94 . B ATOM 1579 C CG1 . VAL B 1 94 ? 95.912 38.844 48.267 1.0 12.14 ? 94 VAL B CG1 1 94 . B ATOM 1580 C CG2 . VAL B 1 94 ? 94.069 38.427 49.888 1.0 11.34 ? 94 VAL B CG2 1 94 . B ATOM 1581 N N . VAL B 1 95 ? 96.378 35.532 46.791 1.0 14.04 ? 95 VAL B N 1 95 . B ATOM 1582 C CA . VAL B 1 95 ? 97.512 34.880 46.167 1.0 13.8 ? 95 VAL B CA 1 95 . B ATOM 1583 C C . VAL B 1 95 ? 98.132 35.638 45.002 1.0 13.39 ? 95 VAL B C 1 95 . B ATOM 1584 O O . VAL B 1 95 ? 97.448 36.299 44.218 1.0 13.2 ? 95 VAL B O 1 95 . B ATOM 1585 C CB . VAL B 1 95 ? 97.061 33.489 45.620 1.0 14.67 ? 95 VAL B CB 1 95 . B ATOM 1586 C CG1 . VAL B 1 95 ? 98.265 32.660 45.200 1.0 15.42 ? 95 VAL B CG1 1 95 . B ATOM 1587 C CG2 . VAL B 1 95 ? 96.229 32.729 46.635 1.0 13.27 ? 95 VAL B CG2 1 95 . B ATOM 1588 N N . ILE B 1 96 ? 99.448 35.491 44.840 1.0 12.38 ? 96 ILE B N 1 96 . B ATOM 1589 C CA . ILE B 1 96 ? 100.174 36.061 43.711 1.0 11.58 ? 96 ILE B CA 1 96 . B ATOM 1590 C C . ILE B 1 96 ? 100.507 34.907 42.741 1.0 11.19 ? 96 ILE B C 1 96 . B ATOM 1591 O O . ILE B 1 96 ? 101.071 33.904 43.177 1.0 10.52 ? 96 ILE B O 1 96 . B ATOM 1592 C CB . ILE B 1 96 ? 101.492 36.738 44.097 1.0 11.16 ? 96 ILE B CB 1 96 . B ATOM 1593 C CG1 . ILE B 1 96 ? 101.270 38.027 44.887 1.0 12.07 ? 96 ILE B CG1 1 96 . B ATOM 1594 C CG2 . ILE B 1 96 ? 102.326 37.031 42.850 1.0 11.33 ? 96 ILE B CG2 1 96 . B ATOM 1595 C CD1 . ILE B 1 96 ? 102.559 38.668 45.380 1.0 11.87 ? 96 ILE B CD1 1 96 . B ATOM 1596 N N . TYR B 1 97 ? 100.142 35.055 41.481 1.0 11.37 ? 97 TYR B N 1 97 . B ATOM 1597 C CA . TYR B 1 97 ? 100.401 34.041 40.468 1.0 11.32 ? 97 TYR B CA 1 97 . B ATOM 1598 C C . TYR B 1 97 ? 101.219 34.631 39.306 1.0 12.05 ? 97 TYR B C 1 97 . B ATOM 1599 O O . TYR B 1 97 ? 100.967 35.769 38.907 1.0 13.04 ? 97 TYR B O 1 97 . B ATOM 1600 C CB . TYR B 1 97 ? 99.110 33.519 39.837 1.0 10.09 ? 97 TYR B CB 1 97 . B ATOM 1601 C CG . TYR B 1 97 ? 98.179 32.715 40.693 1.0 9.39 ? 97 TYR B CG 1 97 . B ATOM 1602 C CD1 . TYR B 1 97 ? 97.187 33.343 41.450 1.0 9.45 ? 97 TYR B CD1 1 97 . B ATOM 1603 C CD2 . TYR B 1 97 ? 98.231 31.328 40.717 1.0 8.77 ? 97 TYR B CD2 1 97 . B ATOM 1604 C CE1 . TYR B 1 97 ? 96.308 32.610 42.222 1.0 9.83 ? 97 TYR B CE1 1 97 . B ATOM 1605 C CE2 . TYR B 1 97 ? 97.355 30.585 41.486 1.0 9.13 ? 97 TYR B CE2 1 97 . B ATOM 1606 C CZ . TYR B 1 97 ? 96.401 31.236 42.238 1.0 10.09 ? 97 TYR B CZ 1 97 . B ATOM 1607 O OH . TYR B 1 97 ? 95.524 30.509 43.013 1.0 11.45 ? 97 TYR B OH 1 97 . B ATOM 1608 N N . GLY B 1 98 ? 102.083 33.817 38.716 1.0 12.6 ? 98 GLY B N 1 98 . B ATOM 1609 C CA . GLY B 1 98 ? 102.877 34.291 37.578 1.0 13.54 ? 98 GLY B CA 1 98 . B ATOM 1610 C C . GLY B 1 98 ? 104.030 33.347 37.284 1.0 14.18 ? 98 GLY B C 1 98 . B ATOM 1611 O O . GLY B 1 98 ? 104.383 32.513 38.119 1.0 14.82 ? 98 GLY B O 1 98 . B ATOM 1612 N N . THR B 1 99 ? 104.614 33.487 36.104 1.0 14.91 ? 99 THR B N 1 99 . B ATOM 1613 C CA . THR B 1 99 ? 104.189 34.481 35.129 1.0 15.8 ? 99 THR B CA 1 99 . B ATOM 1614 C C . THR B 1 99 ? 103.101 33.915 34.214 1.0 16.34 ? 99 THR B C 1 99 . B ATOM 1615 O O . THR B 1 99 ? 102.598 32.816 34.442 1.0 15.48 ? 99 THR B O 1 99 . B ATOM 1616 C CB . THR B 1 99 ? 105.380 34.916 34.238 1.0 16.09 ? 99 THR B CB 1 99 . B ATOM 1617 O OG1 . THR B 1 99 ? 106.021 33.739 33.716 1.0 16.89 ? 99 THR B OG1 1 99 . B ATOM 1618 C CG2 . THR B 1 99 ? 106.392 35.717 35.030 1.0 15.8 ? 99 THR B CG2 1 99 . B ATOM 1619 N N . ASP B 1 100 ? 102.761 34.669 33.174 1.0 17.61 ? 100 ASP B N 1 100 . B ATOM 1620 C CA . ASP B 1 100 ? 101.753 34.207 32.215 1.0 19.84 ? 100 ASP B CA 1 100 . B ATOM 1621 C C . ASP B 1 100 ? 102.298 33.005 31.449 1.0 20.07 ? 100 ASP B C 1 100 . B ATOM 1622 O O . ASP B 1 100 ? 103.453 33.013 31.015 1.0 20.96 ? 100 ASP B O 1 100 . B ATOM 1623 C CB . ASP B 1 100 ? 101.332 35.320 31.277 1.0 22.51 ? 100 ASP B CB 1 100 . B ATOM 1624 C CG . ASP B 1 100 ? 102.465 35.982 30.527 1.0 25.16 ? 100 ASP B CG 1 100 . B ATOM 1625 O OD1 . ASP B 1 100 ? 103.180 36.817 31.124 1.0 26.06 ? 100 ASP B OD1 1 100 . B ATOM 1626 O OD2 . ASP B 1 100 ? 102.638 35.701 29.317 1.0 25.84 ? 100 ASP B OD2 1 100 . B ATOM 1627 N N . ARG B 1 101 ? 101.494 31.964 31.305 1.0 20.22 ? 101 ARG B N 1 101 . B ATOM 1628 C CA . ARG B 1 101 ? 101.925 30.756 30.616 1.0 20.53 ? 101 ARG B CA 1 101 . B ATOM 1629 C C . ARG B 1 101 ? 101.352 30.652 29.216 1.0 19.1 ? 101 ARG B C 1 101 . B ATOM 1630 O O . ARG B 1 101 ? 101.963 30.060 28.323 1.0 19.64 ? 101 ARG B O 1 101 . B ATOM 1631 C CB . ARG B 1 101 ? 101.540 29.520 31.445 1.0 24.48 ? 101 ARG B CB 1 101 . B ATOM 1632 C CG . ARG B 1 101 ? 102.198 29.493 32.818 1.0 31.4 ? 101 ARG B CG 1 101 . B ATOM 1633 C CD . ARG B 1 101 ? 103.712 29.640 32.711 1.0 36.18 ? 101 ARG B CD 1 101 . B ATOM 1634 N NE . ARG B 1 101 ? 104.360 29.714 34.009 1.0 40.02 ? 101 ARG B NE 1 101 . B ATOM 1635 C CZ . ARG B 1 101 ? 105.594 30.141 34.239 1.0 41.84 ? 101 ARG B CZ 1 101 . B ATOM 1636 N NH1 . ARG B 1 101 ? 106.362 30.557 33.237 1.0 43.01 ? 101 ARG B NH1 1 101 . B ATOM 1637 N NH2 . ARG B 1 101 ? 106.068 30.164 35.484 1.0 41.48 ? 101 ARG B NH2 1 101 . B ATOM 1638 N N . TRP B 1 102 ? 100.177 31.218 29.016 1.0 17.41 ? 102 TRP B N 1 102 . B ATOM 1639 C CA . TRP B 1 102 ? 99.495 31.167 27.721 1.0 16.83 ? 102 TRP B CA 1 102 . B ATOM 1640 C C . TRP B 1 102 ? 98.474 32.301 27.658 1.0 16.57 ? 102 TRP B C 1 102 . B ATOM 1641 O O . TRP B 1 102 ? 98.002 32.766 28.701 1.0 16.25 ? 102 TRP B O 1 102 . B ATOM 1642 C CB . TRP B 1 102 ? 98.814 29.816 27.558 1.0 17.18 ? 102 TRP B CB 1 102 . B ATOM 1643 C CG . TRP B 1 102 ? 97.901 29.656 26.389 1.0 18.46 ? 102 TRP B CG 1 102 . B ATOM 1644 C CD1 . TRP B 1 102 ? 98.217 29.132 25.165 1.0 19.19 ? 102 TRP B CD1 1 102 . B ATOM 1645 C CD2 . TRP B 1 102 ? 96.501 29.966 26.334 1.0 18.5 ? 102 TRP B CD2 1 102 . B ATOM 1646 N NE1 . TRP B 1 102 ? 97.110 29.113 24.353 1.0 18.8 ? 102 TRP B NE1 1 102 . B ATOM 1647 C CE2 . TRP B 1 102 ? 96.043 29.629 25.044 1.0 18.68 ? 102 TRP B CE2 1 102 . B ATOM 1648 C CE3 . TRP B 1 102 ? 95.593 30.505 27.253 1.0 17.78 ? 102 TRP B CE3 1 102 . B ATOM 1649 C CZ2 . TRP B 1 102 ? 94.722 29.820 24.646 1.0 16.02 ? 102 TRP B CZ2 1 102 . B ATOM 1650 C CZ3 . TRP B 1 102 ? 94.282 30.691 26.854 1.0 16.55 ? 102 TRP B CZ3 1 102 . B ATOM 1651 C CH2 . TRP B 1 102 ? 93.859 30.346 25.564 1.0 15.78 ? 102 TRP B CH2 1 102 . B ATOM 1652 N N . ALA B 1 103 ? 98.161 32.744 26.454 1.0 16.14 ? 103 ALA B N 1 103 . B ATOM 1653 C CA . ALA B 1 103 ? 97.185 33.820 26.278 1.0 16.43 ? 103 ALA B CA 1 103 . B ATOM 1654 C C . ALA B 1 103 ? 96.557 33.728 24.894 1.0 16.72 ? 103 ALA B C 1 103 . B ATOM 1655 O O . ALA B 1 103 ? 97.200 33.280 23.944 1.0 17.2 ? 103 ALA B O 1 103 . B ATOM 1656 C CB . ALA B 1 103 ? 97.847 35.170 26.489 1.0 16.16 ? 103 ALA B CB 1 103 . B ATOM 1657 N N . THR B 1 104 ? 95.296 34.142 24.785 1.0 17.1 ? 104 THR B N 1 104 . B ATOM 1658 C CA . THR B 1 104 ? 94.621 34.123 23.485 1.0 16.62 ? 104 THR B CA 1 104 . B ATOM 1659 C C . THR B 1 104 ? 95.272 35.175 22.585 1.0 17.86 ? 104 THR B C 1 104 . B ATOM 1660 O O . THR B 1 104 ? 95.364 34.993 21.380 1.0 18.93 ? 104 THR B O 1 104 . B ATOM 1661 C CB . THR B 1 104 ? 93.121 34.399 23.597 1.0 15.72 ? 104 THR B CB 1 104 . B ATOM 1662 O OG1 . THR B 1 104 ? 92.890 35.529 24.452 1.0 14.24 ? 104 THR B OG1 1 104 . B ATOM 1663 C CG2 . THR B 1 104 ? 92.363 33.195 24.130 1.0 14.21 ? 104 THR B CG2 1 104 . B ATOM 1664 N N . GLY B 1 105 ? 95.712 36.276 23.193 1.0 18.84 ? 105 GLY B N 1 105 . B ATOM 1665 C CA . GLY B 1 105 ? 96.368 37.350 22.462 1.0 20.45 ? 105 GLY B CA 1 105 . B ATOM 1666 C C . GLY B 1 105 ? 95.351 38.316 21.865 1.0 21.83 ? 105 GLY B C 1 105 . B ATOM 1667 O O . GLY B 1 105 ? 95.585 38.937 20.833 1.0 22.88 ? 105 GLY B O 1 105 . B ATOM 1668 N N . THR B 1 106 ? 94.219 38.457 22.543 1.0 22.23 ? 106 THR B N 1 106 . B ATOM 1669 C CA . THR B 1 106 ? 93.129 39.303 22.100 1.0 21.8 ? 106 THR B CA 1 106 . B ATOM 1670 C C . THR B 1 106 ? 92.978 40.566 22.926 1.0 23.86 ? 106 THR B C 1 106 . B ATOM 1671 O O . THR B 1 106 ? 91.885 41.142 22.969 1.0 23.02 ? 106 THR B O 1 106 . B ATOM 1672 C CB . THR B 1 106 ? 91.794 38.509 22.185 1.0 19.75 ? 106 THR B CB 1 106 . B ATOM 1673 O OG1 . THR B 1 106 ? 91.672 37.981 23.514 1.0 18.98 ? 106 THR B OG1 1 106 . B ATOM 1674 C CG2 . THR B 1 106 ? 91.794 37.371 21.186 1.0 17.34 ? 106 THR B CG2 1 106 . B ATOM 1675 N N . HIS B 1 107 ? 94.044 40.998 23.591 1.0 27.47 ? 107 HIS B N 1 107 . B ATOM 1676 C CA . HIS B 1 107 ? 93.987 42.202 24.415 1.0 32.06 ? 107 HIS B CA 1 107 . B ATOM 1677 C C . HIS B 1 107 ? 93.806 43.442 23.548 1.0 34.1 ? 107 HIS B C 1 107 . B ATOM 1678 O O . HIS B 1 107 ? 94.213 43.466 22.389 1.0 33.61 ? 107 HIS B O 1 107 . B ATOM 1679 C CB . HIS B 1 107 ? 95.238 42.345 25.286 1.0 36.38 ? 107 HIS B CB 1 107 . B ATOM 1680 C CG . HIS B 1 107 ? 96.507 42.152 24.511 1.0 39.99 ? 107 HIS B CG 1 107 . B ATOM 1681 N ND1 . HIS B 1 107 ? 97.214 43.200 23.971 1.0 41.82 ? 107 HIS B ND1 1 107 . B ATOM 1682 C CD2 . HIS B 1 107 ? 97.160 41.021 24.146 1.0 40.41 ? 107 HIS B CD2 1 107 . B ATOM 1683 C CE1 . HIS B 1 107 ? 98.265 42.727 23.321 1.0 42.72 ? 107 HIS B CE1 1 107 . B ATOM 1684 N NE2 . HIS B 1 107 ? 98.253 41.406 23.411 1.0 41.91 ? 107 HIS B NE2 1 107 . B ATOM 1685 N N . THR B 1 108 ? 93.155 44.452 24.108 1.0 37.56 ? 108 THR B N 1 108 . B ATOM 1686 C CA . THR B 1 108 ? 92.924 45.706 23.401 1.0 41.6 ? 108 THR B CA 1 108 . B ATOM 1687 C C . THR B 1 108 ? 93.894 46.770 23.917 1.0 45.19 ? 108 THR B C 1 108 . B ATOM 1688 O O . THR B 1 108 ? 94.783 46.467 24.719 1.0 46.28 ? 108 THR B O 1 108 . B ATOM 1689 C CB . THR B 1 108 ? 91.483 46.207 23.575 1.0 41.3 ? 108 THR B CB 1 108 . B ATOM 1690 O OG1 . THR B 1 108 ? 91.177 46.308 24.975 1.0 42.97 ? 108 THR B OG1 1 108 . B ATOM 1691 C CG2 . THR B 1 108 ? 90.489 45.267 22.917 1.0 40.45 ? 108 THR B CG2 1 108 . B ATOM 1692 N N . GLY B 1 109 ? 93.717 48.001 23.458 1.0 48.28 ? 109 GLY B N 1 109 . B ATOM 1693 C CA . GLY B 1 109 ? 94.573 49.104 23.876 1.0 51.41 ? 109 GLY B CA 1 109 . B ATOM 1694 C C . GLY B 1 109 ? 93.781 50.395 24.054 1.0 53.11 ? 109 GLY B C 1 109 . B ATOM 1695 O O . GLY B 1 109 ? 94.394 51.484 23.946 1.0 54.12 ? 109 GLY B O 1 109 . B ATOM 1696 O OXT . GLY B 1 109 ? 92.555 50.321 24.307 1.0 54.63 ? 109 GLY B OXT 1 109 . B ATOM 1697 N N . ASP C 1 1 ? 81.679 35.072 36.707 1.0 25.49 ? 1 ASP C N 1 1 . C ATOM 1698 C CA . ASP C 1 1 ? 83.072 35.298 37.188 1.0 24.82 ? 1 ASP C CA 1 1 . C ATOM 1699 C C . ASP C 1 1 ? 84.041 35.334 36.011 1.0 22.48 ? 1 ASP C C 1 1 . C ATOM 1700 O O . ASP C 1 1 ? 83.743 34.798 34.941 1.0 21.79 ? 1 ASP C O 1 1 . C ATOM 1701 C CB . ASP C 1 1 ? 83.483 34.211 38.182 1.0 29.29 ? 1 ASP C CB 1 1 . C ATOM 1702 C CG . ASP C 1 1 ? 84.580 34.639 39.136 1.0 32.67 ? 1 ASP C CG 1 1 . C ATOM 1703 O OD1 . ASP C 1 1 ? 84.695 35.849 39.433 1.0 34.13 ? 1 ASP C OD1 1 1 . C ATOM 1704 O OD2 . ASP C 1 1 ? 85.331 33.760 39.620 1.0 34.47 ? 1 ASP C OD2 1 1 . C ATOM 1705 N N . ASN C 1 2 ? 85.201 35.949 36.217 1.0 20.01 ? 2 ASN C N 1 2 . C ATOM 1706 C CA . ASN C 1 2 ? 86.198 36.030 35.152 1.0 17.89 ? 2 ASN C CA 1 2 . C ATOM 1707 C C . ASN C 1 2 ? 87.432 35.210 35.474 1.0 16.29 ? 2 ASN C C 1 2 . C ATOM 1708 O O . ASN C 1 2 ? 88.473 35.380 34.831 1.0 16.55 ? 2 ASN C O 1 2 . C ATOM 1709 C CB . ASN C 1 2 ? 86.558 37.477 34.855 1.0 17.78 ? 2 ASN C CB 1 2 . C ATOM 1710 C CG . ASN C 1 2 ? 87.174 38.211 36.023 1.0 18.3 ? 2 ASN C CG 1 2 . C ATOM 1711 O OD1 . ASN C 1 2 ? 86.907 37.914 37.187 1.0 17.48 ? 2 ASN C OD1 1 2 . C ATOM 1712 N ND2 . ASN C 1 2 ? 88.010 39.200 35.706 1.0 19.41 ? 2 ASN C ND2 1 2 . C ATOM 1713 N N . ILE C 1 3 ? 87.350 34.345 36.485 1.0 15.08 ? 3 ILE C N 1 3 . C ATOM 1714 C CA . ILE C 1 3 ? 88.489 33.518 36.858 1.0 13.94 ? 3 ILE C CA 1 3 . C ATOM 1715 C C . ILE C 1 3 ? 88.107 32.038 36.905 1.0 14.18 ? 3 ILE C C 1 3 . C ATOM 1716 O O . ILE C 1 3 ? 87.085 31.669 37.468 1.0 14.54 ? 3 ILE C O 1 3 . C ATOM 1717 C CB . ILE C 1 3 ? 89.099 33.888 38.217 1.0 13.07 ? 3 ILE C CB 1 3 . C ATOM 1718 C CG1 . ILE C 1 3 ? 89.599 35.331 38.247 1.0 12.93 ? 3 ILE C CG1 1 3 . C ATOM 1719 C CG2 . ILE C 1 3 ? 90.248 32.935 38.550 1.0 10.91 ? 3 ILE C CG2 1 3 . C ATOM 1720 C CD1 . ILE C 1 3 ? 89.990 35.817 39.627 1.0 13.38 ? 3 ILE C CD1 1 3 . C ATOM 1721 N N . LEU C 1 4 ? 88.958 31.212 36.312 1.0 13.84 ? 4 LEU C N 1 4 . C ATOM 1722 C CA . LEU C 1 4 ? 88.767 29.760 36.342 1.0 13.27 ? 4 LEU C CA 1 4 . C ATOM 1723 C C . LEU C 1 4 ? 89.992 29.172 37.059 1.0 13.71 ? 4 LEU C C 1 4 . C ATOM 1724 O O . LEU C 1 4 ? 91.110 29.257 36.547 1.0 14.2 ? 4 LEU C O 1 4 . C ATOM 1725 C CB . LEU C 1 4 ? 88.603 29.187 34.954 1.0 12.05 ? 4 LEU C CB 1 4 . C ATOM 1726 C CG . LEU C 1 4 ? 88.348 27.680 34.848 1.0 11.77 ? 4 LEU C CG 1 4 . C ATOM 1727 C CD1 . LEU C 1 4 ? 87.036 27.307 35.510 1.0 10.08 ? 4 LEU C CD1 1 4 . C ATOM 1728 C CD2 . LEU C 1 4 ? 88.363 27.253 33.382 1.0 12.23 ? 4 LEU C CD2 1 4 . C ATOM 1729 N N . TYR C 1 5 ? 89.779 28.682 38.271 1.0 13.56 ? 5 TYR C N 1 5 . C ATOM 1730 C CA . TYR C 1 5 ? 90.874 28.175 39.089 1.0 13.61 ? 5 TYR C CA 1 5 . C ATOM 1731 C C . TYR C 1 5 ? 91.264 26.757 38.719 1.0 13.6 ? 5 TYR C C 1 5 . C ATOM 1732 O O . TYR C 1 5 ? 90.417 25.997 38.246 1.0 14.12 ? 5 TYR C O 1 5 . C ATOM 1733 C CB . TYR C 1 5 ? 90.479 28.236 40.567 1.0 13.97 ? 5 TYR C CB 1 5 . C ATOM 1734 C CG . TYR C 1 5 ? 90.202 29.624 41.095 1.0 14.44 ? 5 TYR C CG 1 5 . C ATOM 1735 C CD1 . TYR C 1 5 ? 88.953 30.217 40.949 1.0 14.12 ? 5 TYR C CD1 1 5 . C ATOM 1736 C CD2 . TYR C 1 5 ? 91.191 30.335 41.769 1.0 13.74 ? 5 TYR C CD2 1 5 . C ATOM 1737 C CE1 . TYR C 1 5 ? 88.700 31.481 41.453 1.0 14.26 ? 5 TYR C CE1 1 5 . C ATOM 1738 C CE2 . TYR C 1 5 ? 90.943 31.594 42.283 1.0 13.09 ? 5 TYR C CE2 1 5 . C ATOM 1739 C CZ . TYR C 1 5 ? 89.700 32.160 42.122 1.0 13.95 ? 5 TYR C CZ 1 5 . C ATOM 1740 O OH . TYR C 1 5 ? 89.453 33.415 42.627 1.0 14.62 ? 5 TYR C OH 1 5 . C ATOM 1741 N N . SER C 1 6 ? 92.533 26.406 38.941 1.0 13.31 ? 6 SER C N 1 6 . C ATOM 1742 C CA . SER C 1 6 ? 92.953 25.022 38.646 1.0 13.46 ? 6 SER C CA 1 6 . C ATOM 1743 C C . SER C 1 6 ? 92.092 24.087 39.500 1.0 13.45 ? 6 SER C C 1 6 . C ATOM 1744 O O . SER C 1 6 ? 91.757 24.415 40.641 1.0 12.35 ? 6 SER C O 1 6 . C ATOM 1745 C CB . SER C 1 6 ? 94.428 24.821 38.892 1.0 13.62 ? 6 SER C CB 1 6 . C ATOM 1746 O OG . SER C 1 6 ? 94.836 25.297 40.159 1.0 14.32 ? 6 SER C OG 1 6 . C ATOM 1747 N N . GLY C 1 7 ? 91.660 22.978 38.915 1.0 13.38 ? 7 GLY C N 1 7 . C ATOM 1748 C CA . GLY C 1 7 ? 90.804 22.028 39.612 1.0 14.13 ? 7 GLY C CA 1 7 . C ATOM 1749 C C . GLY C 1 7 ? 89.332 22.268 39.285 1.0 15.32 ? 7 GLY C C 1 7 . C ATOM 1750 O O . GLY C 1 7 ? 88.468 21.466 39.648 1.0 15.76 ? 7 GLY C O 1 7 . C ATOM 1751 N N . GLU C 1 8 ? 89.040 23.368 38.593 1.0 15.41 ? 8 GLU C N 1 8 . C ATOM 1752 C CA . GLU C 1 8 ? 87.684 23.708 38.221 1.0 15.49 ? 8 GLU C CA 1 8 . C ATOM 1753 C C . GLU C 1 8 ? 87.387 23.375 36.759 1.0 15.8 ? 8 GLU C C 1 8 . C ATOM 1754 O O . GLU C 1 8 ? 88.276 23.197 35.933 1.0 15.62 ? 8 GLU C O 1 8 . C ATOM 1755 C CB . GLU C 1 8 ? 87.364 25.177 38.479 1.0 14.48 ? 8 GLU C CB 1 8 . C ATOM 1756 C CG . GLU C 1 8 ? 87.510 25.586 39.937 1.0 16.18 ? 8 GLU C CG 1 8 . C ATOM 1757 C CD . GLU C 1 8 ? 86.944 26.973 40.190 1.0 17.16 ? 8 GLU C CD 1 8 . C ATOM 1758 O OE1 . GLU C 1 8 ? 87.138 27.861 39.337 1.0 17.01 ? 8 GLU C OE1 1 8 . C ATOM 1759 O OE2 . GLU C 1 8 ? 86.288 27.156 41.238 1.0 18.63 ? 8 GLU C OE2 1 8 . C ATOM 1760 N N . THR C 1 9 ? 86.092 23.309 36.460 1.0 15.62 ? 9 THR C N 1 9 . C ATOM 1761 C CA . THR C 1 9 ? 85.614 22.981 35.132 1.0 15.6 ? 9 THR C CA 1 9 . C ATOM 1762 C C . THR C 1 9 ? 84.440 23.860 34.723 1.0 15.4 ? 9 THR C C 1 9 . C ATOM 1763 O O . THR C 1 9 ? 83.600 24.219 35.543 1.0 17.12 ? 9 THR C O 1 9 . C ATOM 1764 C CB . THR C 1 9 ? 85.150 21.505 35.073 1.0 15.87 ? 9 THR C CB 1 9 . C ATOM 1765 O OG1 . THR C 1 9 ? 86.310 20.658 35.164 1.0 17.83 ? 9 THR C OG1 1 9 . C ATOM 1766 C CG2 . THR C 1 9 ? 84.419 21.199 33.786 1.0 16.13 ? 9 THR C CG2 1 9 . C ATOM 1767 N N . LEU C 1 10 ? 84.408 24.214 33.448 1.0 14.27 ? 10 LEU C N 1 10 . C ATOM 1768 C CA . LEU C 1 10 ? 83.292 24.967 32.883 1.0 13.2 ? 10 LEU C CA 1 10 . C ATOM 1769 C C . LEU C 1 10 ? 82.485 23.940 32.056 1.0 12.84 ? 10 LEU C C 1 10 . C ATOM 1770 O O . LEU C 1 10 ? 83.065 23.323 31.160 1.0 13.58 ? 10 LEU C O 1 10 . C ATOM 1771 C CB . LEU C 1 10 ? 83.727 26.088 31.972 1.0 12.56 ? 10 LEU C CB 1 10 . C ATOM 1772 C CG . LEU C 1 10 ? 84.312 27.362 32.560 1.0 12.96 ? 10 LEU C CG 1 10 . C ATOM 1773 C CD1 . LEU C 1 10 ? 84.525 28.395 31.454 1.0 12.12 ? 10 LEU C CD1 1 10 . C ATOM 1774 C CD2 . LEU C 1 10 ? 83.423 27.932 33.653 1.0 12.22 ? 10 LEU C CD2 1 10 . C ATOM 1775 N N . SER C 1 11 ? 81.246 23.719 32.432 1.0 12.55 ? 11 SER C N 1 11 . C ATOM 1776 C CA . SER C 1 11 ? 80.423 22.763 31.684 1.0 12.81 ? 11 SER C CA 1 11 . C ATOM 1777 C C . SER C 1 11 ? 79.873 23.436 30.430 1.0 12.55 ? 11 SER C C 1 11 . C ATOM 1778 O O . SER C 1 11 ? 79.882 24.664 30.326 1.0 12.28 ? 11 SER C O 1 11 . C ATOM 1779 C CB . SER C 1 11 ? 79.304 22.217 32.557 1.0 12.88 ? 11 SER C CB 1 11 . C ATOM 1780 O OG . SER C 1 11 ? 79.720 21.068 33.275 1.0 15.44 ? 11 SER C OG 1 11 . C ATOM 1781 N N . THR C 1 12 ? 79.436 22.628 29.473 1.0 13.16 ? 12 THR C N 1 12 . C ATOM 1782 C CA . THR C 1 12 ? 78.864 23.178 28.239 1.0 14.33 ? 12 THR C CA 1 12 . C ATOM 1783 C C . THR C 1 12 ? 77.809 24.218 28.594 1.0 13.2 ? 12 THR C C 1 12 . C ATOM 1784 O O . THR C 1 12 ? 76.990 24.016 29.492 1.0 13.52 ? 12 THR C O 1 12 . C ATOM 1785 C CB . THR C 1 12 ? 78.272 22.076 27.356 1.0 16.35 ? 12 THR C CB 1 12 . C ATOM 1786 O OG1 . THR C 1 12 ? 77.118 22.572 26.657 1.0 19.71 ? 12 THR C OG1 1 12 . C ATOM 1787 C CG2 . THR C 1 12 ? 77.863 20.867 28.177 1.0 17.23 ? 12 THR C CG2 1 12 . C ATOM 1788 N N . GLY C 1 13 ? 77.886 25.387 27.967 1.0 12.73 ? 13 GLY C N 1 13 . C ATOM 1789 C CA . GLY C 1 13 ? 76.949 26.470 28.227 1.0 11.2 ? 13 GLY C CA 1 13 . C ATOM 1790 C C . GLY C 1 13 ? 77.481 27.443 29.268 1.0 11.25 ? 13 GLY C C 1 13 . C ATOM 1791 O O . GLY C 1 13 ? 76.999 28.574 29.372 1.0 11.23 ? 13 GLY C O 1 13 . C ATOM 1792 N N . GLU C 1 14 ? 78.460 27.007 30.051 1.0 11.37 ? 14 GLU C N 1 14 . C ATOM 1793 C CA . GLU C 1 14 ? 79.047 27.854 31.085 1.0 11.64 ? 14 GLU C CA 1 14 . C ATOM 1794 C C . GLU C 1 14 ? 80.151 28.714 30.493 1.0 11.16 ? 14 GLU C C 1 14 . C ATOM 1795 O O . GLU C 1 14 ? 80.716 28.383 29.450 1.0 11.12 ? 14 GLU C O 1 14 . C ATOM 1796 C CB . GLU C 1 14 ? 79.524 27.044 32.279 1.0 12.51 ? 14 GLU C CB 1 14 . C ATOM 1797 C CG . GLU C 1 14 ? 78.377 26.309 32.967 1.0 15.46 ? 14 GLU C CG 1 14 . C ATOM 1798 C CD . GLU C 1 14 ? 78.800 25.605 34.231 1.0 16.95 ? 14 GLU C CD 1 14 . C ATOM 1799 O OE1 . GLU C 1 14 ? 79.917 25.054 34.266 1.0 18.75 ? 14 GLU C OE1 1 14 . C ATOM 1800 O OE2 . GLU C 1 14 ? 78.006 25.597 35.199 1.0 20.42 ? 14 GLU C OE2 1 14 . C ATOM 1801 N N . PHE C 1 15 ? 80.431 29.836 31.159 1.0 10.16 ? 15 PHE C N 1 15 . C ATOM 1802 C CA . PHE C 1 15 ? 81.402 30.781 30.644 1.0 9.24 ? 15 PHE C CA 1 15 . C ATOM 1803 C C . PHE C 1 15 ? 82.059 31.642 31.709 1.0 9.35 ? 15 PHE C C 1 15 . C ATOM 1804 O O . PHE C 1 15 ? 81.663 31.671 32.869 1.0 9.32 ? 15 PHE C O 1 15 . C ATOM 1805 C CB . PHE C 1 15 ? 80.583 31.776 29.731 1.0 9.2 ? 15 PHE C CB 1 15 . C ATOM 1806 C CG . PHE C 1 15 ? 79.438 32.378 30.512 1.0 8.72 ? 15 PHE C CG 1 15 . C ATOM 1807 C CD1 . PHE C 1 15 ? 79.629 33.486 31.316 1.0 8.79 ? 15 PHE C CD1 1 15 . C ATOM 1808 C CD2 . PHE C 1 15 ? 78.175 31.812 30.456 1.0 9.68 ? 15 PHE C CD2 1 15 . C ATOM 1809 C CE1 . PHE C 1 15 ? 78.597 34.004 32.072 1.0 8.84 ? 15 PHE C CE1 1 15 . C ATOM 1810 C CE2 . PHE C 1 15 ? 77.128 32.335 31.196 1.0 9.21 ? 15 PHE C CE2 1 15 . C ATOM 1811 C CZ . PHE C 1 15 ? 77.340 33.432 32.007 1.0 9.4 ? 15 PHE C CZ 1 15 . C ATOM 1812 N N . LEU C 1 16 ? 83.060 32.398 31.261 1.0 8.88 ? 16 LEU C N 1 16 . C ATOM 1813 C CA . LEU C 1 16 ? 83.707 33.409 32.105 1.0 8.7 ? 16 LEU C CA 1 16 . C ATOM 1814 C C . LEU C 1 16 ? 83.190 34.741 31.518 1.0 9.21 ? 16 LEU C C 1 16 . C ATOM 1815 O O . LEU C 1 16 ? 82.863 34.735 30.323 1.0 9.68 ? 16 LEU C O 1 16 . C ATOM 1816 C CB . LEU C 1 16 ? 85.212 33.370 32.027 1.0 8.01 ? 16 LEU C CB 1 16 . C ATOM 1817 C CG . LEU C 1 16 ? 85.931 32.114 32.518 1.0 8.56 ? 16 LEU C CG 1 16 . C ATOM 1818 C CD1 . LEU C 1 16 ? 87.428 32.232 32.275 1.0 6.6 ? 16 LEU C CD1 1 16 . C ATOM 1819 C CD2 . LEU C 1 16 ? 85.635 31.864 33.993 1.0 7.53 ? 16 LEU C CD2 1 16 . C ATOM 1820 N N . ASN C 1 17 ? 83.063 35.776 32.312 1.0 10.69 ? 17 ASN C N 1 17 . C ATOM 1821 C CA . ASN C 1 17 ? 82.564 37.037 31.760 1.0 11.51 ? 17 ASN C CA 1 17 . C ATOM 1822 C C . ASN C 1 17 ? 83.158 38.247 32.459 1.0 11.89 ? 17 ASN C C 1 17 . C ATOM 1823 O O . ASN C 1 17 ? 83.504 38.226 33.635 1.0 11.82 ? 17 ASN C O 1 17 . C ATOM 1824 C CB . ASN C 1 17 ? 81.037 37.071 31.814 1.0 13.06 ? 17 ASN C CB 1 17 . C ATOM 1825 C CG . ASN C 1 17 ? 80.495 37.156 33.229 1.0 14.05 ? 17 ASN C CG 1 17 . C ATOM 1826 O OD1 . ASN C 1 17 ? 80.544 36.189 33.991 1.0 13.72 ? 17 ASN C OD1 1 17 . C ATOM 1827 N ND2 . ASN C 1 17 ? 79.973 38.324 33.591 1.0 12.27 ? 17 ASN C ND2 1 17 . C ATOM 1828 N N . TYR C 1 18 ? 83.302 39.318 31.694 1.0 12.23 ? 18 TYR C N 1 18 . C ATOM 1829 C CA . TYR C 1 18 ? 83.782 40.594 32.166 1.0 13.14 ? 18 TYR C CA 1 18 . C ATOM 1830 C C . TYR C 1 18 ? 83.222 41.682 31.232 1.0 13.31 ? 18 TYR C C 1 18 . C ATOM 1831 O O . TYR C 1 18 ? 83.579 41.702 30.056 1.0 14.29 ? 18 TYR C O 1 18 . C ATOM 1832 C CB . TYR C 1 18 ? 85.306 40.695 32.223 1.0 13.98 ? 18 TYR C CB 1 18 . C ATOM 1833 C CG . TYR C 1 18 ? 85.737 42.011 32.853 1.0 15.41 ? 18 TYR C CG 1 18 . C ATOM 1834 C CD1 . TYR C 1 18 ? 85.859 42.117 34.230 1.0 17.04 ? 18 TYR C CD1 1 18 . C ATOM 1835 C CD2 . TYR C 1 18 ? 85.933 43.144 32.080 1.0 15.46 ? 18 TYR C CD2 1 18 . C ATOM 1836 C CE1 . TYR C 1 18 ? 86.213 43.317 34.822 1.0 17.59 ? 18 TYR C CE1 1 18 . C ATOM 1837 C CE2 . TYR C 1 18 ? 86.281 44.348 32.662 1.0 16.36 ? 18 TYR C CE2 1 18 . C ATOM 1838 C CZ . TYR C 1 18 ? 86.417 44.429 34.031 1.0 17.82 ? 18 TYR C CZ 1 18 . C ATOM 1839 O OH . TYR C 1 18 ? 86.780 45.621 34.621 1.0 19.13 ? 18 TYR C OH 1 18 . C ATOM 1840 N N . GLY C 1 19 ? 82.329 42.507 31.760 1.0 12.83 ? 19 GLY C N 1 19 . C ATOM 1841 C CA . GLY C 1 19 ? 81.724 43.554 30.914 1.0 12.49 ? 19 GLY C CA 1 19 . C ATOM 1842 C C . GLY C 1 19 ? 81.061 42.872 29.714 1.0 12.31 ? 19 GLY C C 1 19 . C ATOM 1843 O O . GLY C 1 19 ? 80.331 41.890 29.881 1.0 11.35 ? 19 GLY C O 1 19 . C ATOM 1844 N N . SER C 1 20 ? 81.409 43.322 28.513 1.0 11.96 ? 20 SER C N 1 20 . C ATOM 1845 C CA . SER C 1 20 ? 80.847 42.738 27.298 1.0 11.93 ? 20 SER C CA 1 20 . C ATOM 1846 C C . SER C 1 20 ? 81.645 41.554 26.781 1.0 11.55 ? 20 SER C C 1 20 . C ATOM 1847 O O . SER C 1 20 ? 81.411 41.092 25.653 1.0 11.67 ? 20 SER C O 1 20 . C ATOM 1848 C CB . SER C 1 20 ? 80.716 43.809 26.209 1.0 11.65 ? 20 SER C CB 1 20 . C ATOM 1849 O OG . SER C 1 20 ? 81.990 44.304 25.825 1.0 13.13 ? 20 SER C OG 1 20 . C ATOM 1850 N N . PHE C 1 21 ? 82.590 41.048 27.569 1.0 10.73 ? 21 PHE C N 1 21 . C ATOM 1851 C CA . PHE C 1 21 ? 83.417 39.923 27.164 1.0 10.43 ? 21 PHE C CA 1 21 . C ATOM 1852 C C . PHE C 1 21 ? 82.904 38.617 27.750 1.0 10.69 ? 21 PHE C C 1 21 . C ATOM 1853 O O . PHE C 1 21 ? 82.610 38.513 28.943 1.0 11.58 ? 21 PHE C O 1 21 . C ATOM 1854 C CB . PHE C 1 21 ? 84.879 40.149 27.551 1.0 9.22 ? 21 PHE C CB 1 21 . C ATOM 1855 C CG . PHE C 1 21 ? 85.443 41.490 27.180 1.0 7.89 ? 21 PHE C CG 1 21 . C ATOM 1856 C CD1 . PHE C 1 21 ? 85.119 42.105 25.980 1.0 6.53 ? 21 PHE C CD1 1 21 . C ATOM 1857 C CD2 . PHE C 1 21 ? 86.315 42.140 28.042 1.0 7.99 ? 21 PHE C CD2 1 21 . C ATOM 1858 C CE1 . PHE C 1 21 ? 85.626 43.346 25.659 1.0 6.28 ? 21 PHE C CE1 1 21 . C ATOM 1859 C CE2 . PHE C 1 21 ? 86.833 43.379 27.723 1.0 8.36 ? 21 PHE C CE2 1 21 . C ATOM 1860 C CZ . PHE C 1 21 ? 86.487 43.985 26.527 1.0 6.76 ? 21 PHE C CZ 1 21 . C ATOM 1861 N N . VAL C 1 22 ? 82.716 37.619 26.893 1.0 11.1 ? 22 VAL C N 1 22 . C ATOM 1862 C CA . VAL C 1 22 ? 82.217 36.314 27.311 1.0 11.07 ? 22 VAL C CA 1 22 . C ATOM 1863 C C . VAL C 1 22 ? 83.078 35.192 26.729 1.0 11.07 ? 22 VAL C C 1 22 . C ATOM 1864 O O . VAL C 1 22 ? 83.223 35.080 25.513 1.0 11.72 ? 22 VAL C O 1 22 . C ATOM 1865 C CB . VAL C 1 22 ? 80.756 36.104 26.881 1.0 11.15 ? 22 VAL C CB 1 22 . C ATOM 1866 C CG1 . VAL C 1 22 ? 80.315 34.667 27.135 1.0 10.96 ? 22 VAL C CG1 1 22 . C ATOM 1867 C CG2 . VAL C 1 22 ? 79.818 37.066 27.598 1.0 11.54 ? 22 VAL C CG2 1 22 . C ATOM 1868 N N . PHE C 1 23 ? 83.661 34.391 27.598 1.0 10.24 ? 23 PHE C N 1 23 . C ATOM 1869 C CA . PHE C 1 23 ? 84.493 33.245 27.193 1.0 9.53 ? 23 PHE C CA 1 23 . C ATOM 1870 C C . PHE C 1 23 ? 83.663 31.995 27.522 1.0 9.9 ? 23 PHE C C 1 23 . C ATOM 1871 O O . PHE C 1 23 ? 83.520 31.624 28.685 1.0 9.74 ? 23 PHE C O 1 23 . C ATOM 1872 C CB . PHE C 1 23 ? 85.802 33.258 27.946 1.0 8.65 ? 23 PHE C CB 1 23 . C ATOM 1873 C CG . PHE C 1 23 ? 86.880 32.361 27.422 1.0 8.97 ? 23 PHE C CG 1 23 . C ATOM 1874 C CD1 . PHE C 1 23 ? 87.321 32.462 26.113 1.0 8.48 ? 23 PHE C CD1 1 23 . C ATOM 1875 C CD2 . PHE C 1 23 ? 87.474 31.421 28.255 1.0 9.46 ? 23 PHE C CD2 1 23 . C ATOM 1876 C CE1 . PHE C 1 23 ? 88.322 31.641 25.638 1.0 9.75 ? 23 PHE C CE1 1 23 . C ATOM 1877 C CE2 . PHE C 1 23 ? 88.486 30.601 27.785 1.0 10.79 ? 23 PHE C CE2 1 23 . C ATOM 1878 C CZ . PHE C 1 23 ? 88.911 30.711 26.475 1.0 10.0 ? 23 PHE C CZ 1 23 . C ATOM 1879 N N . ILE C 1 24 ? 83.072 31.404 26.489 1.0 10.04 ? 24 ILE C N 1 24 . C ATOM 1880 C CA . ILE C 1 24 ? 82.133 30.314 26.681 1.0 9.76 ? 24 ILE C CA 1 24 . C ATOM 1881 C C . ILE C 1 24 ? 82.477 28.977 26.083 1.0 10.53 ? 24 ILE C C 1 24 . C ATOM 1882 O O . ILE C 1 24 ? 83.004 28.850 24.981 1.0 11.12 ? 24 ILE C O 1 24 . C ATOM 1883 C CB . ILE C 1 24 ? 80.761 30.793 26.112 1.0 8.36 ? 24 ILE C CB 1 24 . C ATOM 1884 C CG1 . ILE C 1 24 ? 79.691 29.722 26.247 1.0 8.36 ? 24 ILE C CG1 1 24 . C ATOM 1885 C CG2 . ILE C 1 24 ? 80.929 31.247 24.672 1.0 6.88 ? 24 ILE C CG2 1 24 . C ATOM 1886 C CD1 . ILE C 1 24 ? 78.276 30.262 26.156 1.0 7.42 ? 24 ILE C CD1 1 24 . C ATOM 1887 N N . MET C 1 25 ? 82.131 27.921 26.827 1.0 10.68 ? 25 MET C N 1 25 . C ATOM 1888 C CA . MET C 1 25 ? 82.300 26.538 26.382 1.0 11.31 ? 25 MET C CA 1 25 . C ATOM 1889 C C . MET C 1 25 ? 80.968 26.109 25.745 1.0 12.46 ? 25 MET C C 1 25 . C ATOM 1890 O O . MET C 1 25 ? 80.052 25.678 26.438 1.0 13.21 ? 25 MET C O 1 25 . C ATOM 1891 C CB . MET C 1 25 ? 82.620 25.635 27.568 1.0 9.98 ? 25 MET C CB 1 25 . C ATOM 1892 C CG . MET C 1 25 ? 82.764 24.165 27.244 1.0 9.8 ? 25 MET C CG 1 25 . C ATOM 1893 S SD . MET C 1 25 ? 84.228 23.797 26.259 1.0 11.31 ? 25 MET C SD 1 25 . C ATOM 1894 C CE . MET C 1 25 ? 83.599 23.996 24.600 1.0 9.73 ? 25 MET C CE 1 25 . C ATOM 1895 N N . GLN C 1 26 ? 80.837 26.335 24.446 1.0 13.35 ? 26 GLN C N 1 26 . C ATOM 1896 C CA . GLN C 1 26 ? 79.626 26.057 23.714 1.0 13.08 ? 26 GLN C CA 1 26 . C ATOM 1897 C C . GLN C 1 26 ? 79.268 24.587 23.614 1.0 13.85 ? 26 GLN C C 1 26 . C ATOM 1898 O O . GLN C 1 26 ? 80.103 23.697 23.723 1.0 14.63 ? 26 GLN C O 1 26 . C ATOM 1899 C CB . GLN C 1 26 ? 79.697 26.666 22.302 1.0 11.04 ? 26 GLN C CB 1 26 . C ATOM 1900 C CG . GLN C 1 26 ? 79.823 28.177 22.324 1.0 10.34 ? 26 GLN C CG 1 26 . C ATOM 1901 C CD . GLN C 1 26 ? 79.731 28.805 20.954 1.0 11.33 ? 26 GLN C CD 1 26 . C ATOM 1902 O OE1 . GLN C 1 26 ? 79.499 30.015 20.845 1.0 12.99 ? 26 GLN C OE1 1 26 . C ATOM 1903 N NE2 . GLN C 1 26 ? 79.920 28.020 19.900 1.0 9.91 ? 26 GLN C NE2 1 26 . C ATOM 1904 N N . GLU C 1 27 ? 77.992 24.337 23.326 1.0 14.72 ? 27 GLU C N 1 27 . C ATOM 1905 C CA . GLU C 1 27 ? 77.457 22.991 23.186 1.0 16.17 ? 27 GLU C CA 1 27 . C ATOM 1906 C C . GLU C 1 27 ? 78.012 22.270 21.971 1.0 16.0 ? 27 GLU C C 1 27 . C ATOM 1907 O O . GLU C 1 27 ? 78.098 21.034 21.956 1.0 15.98 ? 27 GLU C O 1 27 . C ATOM 1908 C CB . GLU C 1 27 ? 75.932 23.067 23.155 1.0 19.04 ? 27 GLU C CB 1 27 . C ATOM 1909 C CG . GLU C 1 27 ? 75.194 21.781 22.881 1.0 22.33 ? 27 GLU C CG 1 27 . C ATOM 1910 C CD . GLU C 1 27 ? 75.383 20.731 23.957 1.0 23.89 ? 27 GLU C CD 1 27 . C ATOM 1911 O OE1 . GLU C 1 27 ? 75.422 21.102 25.150 1.0 25.31 ? 27 GLU C OE1 1 27 . C ATOM 1912 O OE2 . GLU C 1 27 ? 75.498 19.536 23.612 1.0 24.03 ? 27 GLU C OE2 1 27 . C ATOM 1913 N N . ASP C 1 28 ? 78.481 23.006 20.967 1.0 15.72 ? 28 ASP C N 1 28 . C ATOM 1914 C CA . ASP C 1 28 ? 79.061 22.424 19.766 1.0 15.43 ? 28 ASP C CA 1 28 . C ATOM 1915 C C . ASP C 1 28 ? 80.538 22.100 19.937 1.0 15.6 ? 28 ASP C C 1 28 . C ATOM 1916 O O . ASP C 1 28 ? 81.226 21.690 18.995 1.0 15.7 ? 28 ASP C O 1 28 . C ATOM 1917 C CB . ASP C 1 28 ? 78.837 23.320 18.552 1.0 13.56 ? 28 ASP C CB 1 28 . C ATOM 1918 C CG . ASP C 1 28 ? 79.557 24.643 18.594 1.0 14.12 ? 28 ASP C CG 1 28 . C ATOM 1919 O OD1 . ASP C 1 28 ? 80.185 24.981 19.618 1.0 14.73 ? 28 ASP C OD1 1 28 . C ATOM 1920 O OD2 . ASP C 1 28 ? 79.518 25.386 17.582 1.0 14.11 ? 28 ASP C OD2 1 28 . C ATOM 1921 N N . CYS C 1 29 ? 81.066 22.311 21.138 1.0 15.12 ? 29 CYS C N 1 29 . C ATOM 1922 C CA . CYS C 1 29 ? 82.436 22.049 21.488 1.0 13.65 ? 29 CYS C CA 1 29 . C ATOM 1923 C C . CYS C 1 29 ? 83.422 23.089 21.002 1.0 12.52 ? 29 CYS C C 1 29 . C ATOM 1924 O O . CYS C 1 29 ? 84.638 22.837 21.002 1.0 12.14 ? 29 CYS C O 1 29 . C ATOM 1925 C CB . CYS C 1 29 ? 82.876 20.639 21.077 1.0 14.26 ? 29 CYS C CB 1 29 . C ATOM 1926 S SG . CYS C 1 29 ? 82.178 19.362 22.164 1.0 15.54 ? 29 CYS C SG 1 29 . C ATOM 1927 N N . ASN C 1 30 ? 82.928 24.257 20.610 1.0 11.49 ? 30 ASN C N 1 30 . C ATOM 1928 C CA . ASN C 1 30 ? 83.816 25.347 20.193 1.0 10.67 ? 30 ASN C CA 1 30 . C ATOM 1929 C C . ASN C 1 30 ? 83.957 26.289 21.400 1.0 10.74 ? 30 ASN C C 1 30 . C ATOM 1930 O O . ASN C 1 30 ? 82.951 26.670 21.993 1.0 10.6 ? 30 ASN C O 1 30 . C ATOM 1931 C CB . ASN C 1 30 ? 83.286 26.093 18.986 1.0 10.09 ? 30 ASN C CB 1 30 . C ATOM 1932 C CG . ASN C 1 30 ? 84.337 26.808 18.168 1.0 9.53 ? 30 ASN C CG 1 30 . C ATOM 1933 O OD1 . ASN C 1 30 ? 85.540 26.566 18.304 1.0 10.85 ? 30 ASN C OD1 1 30 . C ATOM 1934 N ND2 . ASN C 1 30 ? 83.918 27.706 17.283 1.0 8.69 ? 30 ASN C ND2 1 30 . C ATOM 1935 N N . LEU C 1 31 ? 85.187 26.516 21.819 1.0 10.7 ? 31 LEU C N 1 31 . C ATOM 1936 C CA . LEU C 1 31 ? 85.460 27.432 22.942 1.0 9.93 ? 31 LEU C CA 1 31 . C ATOM 1937 C C . LEU C 1 31 ? 85.695 28.798 22.286 1.0 10.03 ? 31 LEU C C 1 31 . C ATOM 1938 O O . LEU C 1 31 ? 86.596 28.929 21.457 1.0 10.24 ? 31 LEU C O 1 31 . C ATOM 1939 C CB . LEU C 1 31 ? 86.664 26.973 23.732 1.0 8.46 ? 31 LEU C CB 1 31 . C ATOM 1940 C CG . LEU C 1 31 ? 87.177 27.871 24.855 1.0 8.83 ? 31 LEU C CG 1 31 . C ATOM 1941 C CD1 . LEU C 1 31 ? 86.132 28.006 25.951 1.0 6.77 ? 31 LEU C CD1 1 31 . C ATOM 1942 C CD2 . LEU C 1 31 ? 88.485 27.333 25.429 1.0 7.17 ? 31 LEU C CD2 1 31 . C ATOM 1943 N N . VAL C 1 32 ? 84.791 29.738 22.537 1.0 10.33 ? 32 VAL C N 1 32 . C ATOM 1944 C CA . VAL C 1 32 ? 84.832 31.029 21.875 1.0 9.85 ? 32 VAL C CA 1 32 . C ATOM 1945 C C . VAL C 1 32 ? 84.880 32.234 22.798 1.0 10.11 ? 32 VAL C C 1 32 . C ATOM 1946 O O . VAL C 1 32 ? 84.242 32.284 23.848 1.0 10.06 ? 32 VAL C O 1 32 . C ATOM 1947 C CB . VAL C 1 32 ? 83.538 31.200 21.008 1.0 10.28 ? 32 VAL C CB 1 32 . C ATOM 1948 C CG1 . VAL C 1 32 ? 83.643 32.432 20.128 1.0 8.34 ? 32 VAL C CG1 1 32 . C ATOM 1949 C CG2 . VAL C 1 32 ? 83.244 29.964 20.179 1.0 7.9 ? 32 VAL C CG2 1 32 . C ATOM 1950 N N . LEU C 1 33 ? 85.607 33.267 22.354 1.0 9.67 ? 33 LEU C N 1 33 . C ATOM 1951 C CA . LEU C 1 33 ? 85.643 34.538 23.058 1.0 9.31 ? 33 LEU C CA 1 33 . C ATOM 1952 C C . LEU C 1 33 ? 84.825 35.543 22.220 1.0 9.96 ? 33 LEU C C 1 33 . C ATOM 1953 O O . LEU C 1 33 ? 85.156 35.771 21.056 1.0 9.54 ? 33 LEU C O 1 33 . C ATOM 1954 C CB . LEU C 1 33 ? 87.043 35.071 23.282 1.0 7.9 ? 33 LEU C CB 1 33 . C ATOM 1955 C CG . LEU C 1 33 ? 87.123 36.521 23.798 1.0 7.45 ? 33 LEU C CG 1 33 . C ATOM 1956 C CD1 . LEU C 1 33 ? 86.651 36.596 25.240 1.0 7.25 ? 33 LEU C CD1 1 33 . C ATOM 1957 C CD2 . LEU C 1 33 ? 88.530 37.066 23.652 1.0 7.5 ? 33 LEU C CD2 1 33 . C ATOM 1958 N N . TYR C 1 34 ? 83.750 36.063 22.801 1.0 9.87 ? 34 TYR C N 1 34 . C ATOM 1959 C CA . TYR C 1 34 ? 82.895 37.012 22.122 1.0 9.67 ? 34 TYR C CA 1 34 . C ATOM 1960 C C . TYR C 1 34 ? 83.002 38.425 22.704 1.0 10.75 ? 34 TYR C C 1 34 . C ATOM 1961 O O . TYR C 1 34 ? 83.076 38.599 23.917 1.0 11.41 ? 34 TYR C O 1 34 . C ATOM 1962 C CB . TYR C 1 34 ? 81.410 36.626 22.265 1.0 8.88 ? 34 TYR C CB 1 34 . C ATOM 1963 C CG . TYR C 1 34 ? 80.958 35.426 21.480 1.0 9.04 ? 34 TYR C CG 1 34 . C ATOM 1964 C CD1 . TYR C 1 34 ? 80.596 35.530 20.138 1.0 8.16 ? 34 TYR C CD1 1 34 . C ATOM 1965 C CD2 . TYR C 1 34 ? 80.835 34.180 22.093 1.0 8.51 ? 34 TYR C CD2 1 34 . C ATOM 1966 C CE1 . TYR C 1 34 ? 80.184 34.419 19.423 1.0 7.7 ? 34 TYR C CE1 1 34 . C ATOM 1967 C CE2 . TYR C 1 34 ? 80.415 33.069 21.389 1.0 7.4 ? 34 TYR C CE2 1 34 . C ATOM 1968 C CZ . TYR C 1 34 ? 80.095 33.196 20.055 1.0 7.6 ? 34 TYR C CZ 1 34 . C ATOM 1969 O OH . TYR C 1 34 ? 79.686 32.089 19.350 1.0 7.21 ? 34 TYR C OH 1 34 . C ATOM 1970 N N . ASP C 1 35 ? 82.969 39.411 21.830 1.0 12.41 ? 35 ASP C N 1 35 . C ATOM 1971 C CA . ASP C 1 35 ? 82.906 40.815 22.250 1.0 14.82 ? 35 ASP C CA 1 35 . C ATOM 1972 C C . ASP C 1 35 ? 81.482 41.237 21.812 1.0 16.44 ? 35 ASP C C 1 35 . C ATOM 1973 O O . ASP C 1 35 ? 81.230 41.461 20.635 1.0 16.83 ? 35 ASP C O 1 35 . C ATOM 1974 C CB . ASP C 1 35 ? 83.954 41.690 21.626 1.0 17.67 ? 35 ASP C CB 1 35 . C ATOM 1975 C CG . ASP C 1 35 ? 84.089 43.049 22.293 1.0 19.74 ? 35 ASP C CG 1 35 . C ATOM 1976 O OD1 . ASP C 1 35 ? 83.183 43.434 23.065 1.0 21.22 ? 35 ASP C OD1 1 35 . C ATOM 1977 O OD2 . ASP C 1 35 ? 85.108 43.733 22.062 1.0 21.47 ? 35 ASP C OD2 1 35 . C ATOM 1978 N N . VAL C 1 36 ? 80.567 41.201 22.770 1.0 17.23 ? 36 VAL C N 1 36 . C ATOM 1979 C CA . VAL C 1 36 ? 79.150 41.409 22.476 1.0 17.18 ? 36 VAL C CA 1 36 . C ATOM 1980 C C . VAL C 1 36 ? 78.729 40.227 21.589 1.0 17.85 ? 36 VAL C C 1 36 . C ATOM 1981 O O . VAL C 1 36 ? 78.847 39.082 22.056 1.0 17.68 ? 36 VAL C O 1 36 . C ATOM 1982 C CB . VAL C 1 36 ? 78.750 42.737 21.886 1.0 17.84 ? 36 VAL C CB 1 36 . C ATOM 1983 C CG1 . VAL C 1 36 ? 77.214 42.864 21.830 1.0 16.15 ? 36 VAL C CG1 1 36 . C ATOM 1984 C CG2 . VAL C 1 36 ? 79.282 43.926 22.689 1.0 16.82 ? 36 VAL C CG2 1 36 . C ATOM 1985 N N . ASP C 1 37 ? 78.388 40.454 20.338 1.0 18.8 ? 37 ASP C N 1 37 . C ATOM 1986 C CA . ASP C 1 37 ? 77.980 39.350 19.463 1.0 20.39 ? 37 ASP C CA 1 37 . C ATOM 1987 C C . ASP C 1 37 ? 79.080 38.958 18.488 1.0 21.29 ? 37 ASP C C 1 37 . C ATOM 1988 O O . ASP C 1 37 ? 78.936 38.025 17.687 1.0 21.74 ? 37 ASP C O 1 37 . C ATOM 1989 C CB . ASP C 1 37 ? 76.682 39.675 18.752 1.0 19.61 ? 37 ASP C CB 1 37 . C ATOM 1990 C CG . ASP C 1 37 ? 76.688 40.852 17.822 1.0 20.53 ? 37 ASP C CG 1 37 . C ATOM 1991 O OD1 . ASP C 1 37 ? 77.385 41.864 18.055 1.0 21.0 ? 37 ASP C OD1 1 37 . C ATOM 1992 O OD2 . ASP C 1 37 ? 75.937 40.809 16.812 1.0 21.71 ? 37 ASP C OD2 1 37 . C ATOM 1993 N N . LYS C 1 38 ? 80.217 39.630 18.584 1.0 21.6 ? 38 LYS C N 1 38 . C ATOM 1994 C CA . LYS C 1 38 ? 81.344 39.399 17.694 1.0 22.0 ? 38 LYS C CA 1 38 . C ATOM 1995 C C . LYS C 1 38 ? 82.367 38.432 18.260 1.0 20.8 ? 38 LYS C C 1 38 . C ATOM 1996 O O . LYS C 1 38 ? 83.025 38.711 19.264 1.0 21.04 ? 38 LYS C O 1 38 . C ATOM 1997 C CB . LYS C 1 38 ? 82.003 40.757 17.404 1.0 24.41 ? 38 LYS C CB 1 38 . C ATOM 1998 C CG . LYS C 1 38 ? 82.982 40.777 16.251 1.0 30.92 ? 38 LYS C CG 1 38 . C ATOM 1999 C CD . LYS C 1 38 ? 84.092 41.791 16.530 1.0 34.51 ? 38 LYS C CD 1 38 . C ATOM 2000 C CE . LYS C 1 38 ? 84.499 42.541 15.274 1.0 37.64 ? 38 LYS C CE 1 38 . C ATOM 2001 N NZ . LYS C 1 38 ? 85.501 43.612 15.581 1.0 39.63 ? 38 LYS C NZ 1 38 . C ATOM 2002 N N . PRO C 1 39 ? 82.532 37.294 17.600 1.0 20.09 ? 39 PRO C N 1 39 . C ATOM 2003 C CA . PRO C 1 39 ? 83.506 36.288 17.999 1.0 19.47 ? 39 PRO C CA 1 39 . C ATOM 2004 C C . PRO C 1 39 ? 84.918 36.790 17.729 1.0 18.68 ? 39 PRO C C 1 39 . C ATOM 2005 O O . PRO C 1 39 ? 85.268 37.061 16.577 1.0 19.03 ? 39 PRO C O 1 39 . C ATOM 2006 C CB . PRO C 1 39 ? 83.163 35.088 17.130 1.0 19.62 ? 39 PRO C CB 1 39 . C ATOM 2007 C CG . PRO C 1 39 ? 82.451 35.629 15.947 1.0 19.62 ? 39 PRO C CG 1 39 . C ATOM 2008 C CD . PRO C 1 39 ? 81.780 36.899 16.386 1.0 19.96 ? 39 PRO C CD 1 39 . C ATOM 2009 N N . ILE C 1 40 ? 85.724 36.942 18.767 1.0 17.87 ? 40 ILE C N 1 40 . C ATOM 2010 C CA . ILE C 1 40 ? 87.075 37.468 18.633 1.0 17.85 ? 40 ILE C CA 1 40 . C ATOM 2011 C C . ILE C 1 40 ? 88.126 36.374 18.506 1.0 16.88 ? 40 ILE C C 1 40 . C ATOM 2012 O O . ILE C 1 40 ? 89.167 36.555 17.872 1.0 16.85 ? 40 ILE C O 1 40 . C ATOM 2013 C CB . ILE C 1 40 ? 87.424 38.348 19.859 1.0 19.32 ? 40 ILE C CB 1 40 . C ATOM 2014 C CG1 . ILE C 1 40 ? 86.320 39.364 20.130 1.0 19.95 ? 40 ILE C CG1 1 40 . C ATOM 2015 C CG2 . ILE C 1 40 ? 88.757 39.047 19.663 1.0 21.85 ? 40 ILE C CG2 1 40 . C ATOM 2016 C CD1 . ILE C 1 40 ? 85.972 40.243 18.953 1.0 20.61 ? 40 ILE C CD1 1 40 . C ATOM 2017 N N . TRP C 1 41 ? 87.866 35.240 19.135 1.0 15.85 ? 41 TRP C N 1 41 . C ATOM 2018 C CA . TRP C 1 41 ? 88.802 34.112 19.123 1.0 15.29 ? 41 TRP C CA 1 41 . C ATOM 2019 C C . TRP C 1 41 ? 88.024 32.822 19.363 1.0 14.63 ? 41 TRP C C 1 41 . C ATOM 2020 O O . TRP C 1 41 ? 86.981 32.844 20.019 1.0 15.3 ? 41 TRP C O 1 41 . C ATOM 2021 C CB . TRP C 1 41 ? 89.844 34.328 20.212 1.0 15.91 ? 41 TRP C CB 1 41 . C ATOM 2022 C CG . TRP C 1 41 ? 90.927 33.317 20.337 1.0 15.8 ? 41 TRP C CG 1 41 . C ATOM 2023 C CD1 . TRP C 1 41 ? 92.172 33.375 19.766 1.0 15.37 ? 41 TRP C CD1 1 41 . C ATOM 2024 C CD2 . TRP C 1 41 ? 90.917 32.123 21.133 1.0 15.68 ? 41 TRP C CD2 1 41 . C ATOM 2025 N NE1 . TRP C 1 41 ? 92.917 32.284 20.136 1.0 15.59 ? 41 TRP C NE1 1 41 . C ATOM 2026 C CE2 . TRP C 1 41 ? 92.169 31.497 20.974 1.0 15.47 ? 41 TRP C CE2 1 41 . C ATOM 2027 C CE3 . TRP C 1 41 ? 89.956 31.508 21.941 1.0 15.75 ? 41 TRP C CE3 1 41 . C ATOM 2028 C CZ2 . TRP C 1 41 ? 92.489 30.294 21.599 1.0 15.22 ? 41 TRP C CZ2 1 41 . C ATOM 2029 C CZ3 . TRP C 1 41 ? 90.270 30.311 22.556 1.0 15.64 ? 41 TRP C CZ3 1 41 . C ATOM 2030 C CH2 . TRP C 1 41 ? 91.530 29.718 22.387 1.0 15.42 ? 41 TRP C CH2 1 41 . C ATOM 2031 N N . ALA C 1 42 ? 88.503 31.725 18.810 1.0 13.92 ? 42 ALA C N 1 42 . C ATOM 2032 C CA . ALA C 1 42 ? 87.859 30.429 18.989 1.0 13.24 ? 42 ALA C CA 1 42 . C ATOM 2033 C C . ALA C 1 42 ? 88.921 29.335 18.855 1.0 13.85 ? 42 ALA C C 1 42 . C ATOM 2034 O O . ALA C 1 42 ? 89.990 29.578 18.301 1.0 13.62 ? 42 ALA C O 1 42 . C ATOM 2035 C CB . ALA C 1 42 ? 86.772 30.211 17.958 1.0 11.24 ? 42 ALA C CB 1 42 . C ATOM 2036 N N . THR C 1 43 ? 88.593 28.155 19.352 1.0 14.81 ? 43 THR C N 1 43 . C ATOM 2037 C CA . THR C 1 43 ? 89.517 27.022 19.237 1.0 15.88 ? 43 THR C CA 1 43 . C ATOM 2038 C C . THR C 1 43 ? 89.323 26.399 17.853 1.0 17.55 ? 43 THR C C 1 43 . C ATOM 2039 O O . THR C 1 43 ? 90.171 25.696 17.328 1.0 18.03 ? 43 THR C O 1 43 . C ATOM 2040 C CB . THR C 1 43 ? 89.258 25.976 20.327 1.0 15.49 ? 43 THR C CB 1 43 . C ATOM 2041 O OG1 . THR C 1 43 ? 87.862 25.641 20.356 1.0 14.19 ? 43 THR C OG1 1 43 . C ATOM 2042 C CG2 . THR C 1 43 ? 89.667 26.495 21.696 1.0 14.31 ? 43 THR C CG2 1 43 . C ATOM 2043 N N . ASN C 1 44 ? 88.161 26.684 17.264 1.0 19.24 ? 44 ASN C N 1 44 . C ATOM 2044 C CA . ASN C 1 44 ? 87.787 26.190 15.951 1.0 20.51 ? 44 ASN C CA 1 44 . C ATOM 2045 C C . ASN C 1 44 ? 87.578 24.680 15.972 1.0 19.84 ? 44 ASN C C 1 44 . C ATOM 2046 O O . ASN C 1 44 ? 87.897 23.962 15.030 1.0 19.8 ? 44 ASN C O 1 44 . C ATOM 2047 C CB . ASN C 1 44 ? 88.796 26.594 14.884 1.0 23.58 ? 44 ASN C CB 1 44 . C ATOM 2048 C CG . ASN C 1 44 ? 88.795 28.082 14.592 1.0 25.74 ? 44 ASN C CG 1 44 . C ATOM 2049 O OD1 . ASN C 1 44 ? 87.742 28.695 14.402 1.0 26.42 ? 44 ASN C OD1 1 44 . C ATOM 2050 N ND2 . ASN C 1 44 ? 89.981 28.683 14.566 1.0 25.88 ? 44 ASN C ND2 1 44 . C ATOM 2051 N N . THR C 1 45 ? 87.013 24.204 17.083 1.0 18.8 ? 45 THR C N 1 45 . C ATOM 2052 C CA . THR C 1 45 ? 86.767 22.781 17.280 1.0 17.22 ? 45 THR C CA 1 45 . C ATOM 2053 C C . THR C 1 45 ? 85.277 22.481 17.300 1.0 17.5 ? 45 THR C C 1 45 . C ATOM 2054 O O . THR C 1 45 ? 84.839 21.407 17.706 1.0 17.98 ? 45 THR C O 1 45 . C ATOM 2055 C CB . THR C 1 45 ? 87.416 22.308 18.595 1.0 15.88 ? 45 THR C CB 1 45 . C ATOM 2056 O OG1 . THR C 1 45 ? 87.039 23.199 19.654 1.0 15.04 ? 45 THR C OG1 1 45 . C ATOM 2057 C CG2 . THR C 1 45 ? 88.936 22.327 18.463 1.0 14.59 ? 45 THR C CG2 1 45 . C ATOM 2058 N N . GLY C 1 46 ? 84.487 23.451 16.848 1.0 18.25 ? 46 GLY C N 1 46 . C ATOM 2059 C CA . GLY C 1 46 ? 83.037 23.310 16.798 1.0 18.68 ? 46 GLY C CA 1 46 . C ATOM 2060 C C . GLY C 1 46 ? 82.643 22.235 15.789 1.0 19.23 ? 46 GLY C C 1 46 . C ATOM 2061 O O . GLY C 1 46 ? 83.133 22.216 14.659 1.0 20.37 ? 46 GLY C O 1 46 . C ATOM 2062 N N . GLY C 1 47 ? 81.801 21.305 16.219 1.0 18.84 ? 47 GLY C N 1 47 . C ATOM 2063 C CA . GLY C 1 47 ? 81.338 20.225 15.365 1.0 17.54 ? 47 GLY C CA 1 47 . C ATOM 2064 C C . GLY C 1 47 ? 82.157 18.963 15.559 1.0 17.72 ? 47 GLY C C 1 47 . C ATOM 2065 O O . GLY C 1 47 ? 81.777 17.894 15.081 1.0 17.78 ? 47 GLY C O 1 47 . C ATOM 2066 N N . LEU C 1 48 ? 83.262 19.066 16.295 1.0 18.01 ? 48 LEU C N 1 48 . C ATOM 2067 C CA . LEU C 1 48 ? 84.128 17.931 16.561 1.0 18.4 ? 48 LEU C CA 1 48 . C ATOM 2068 C C . LEU C 1 48 ? 83.522 16.971 17.576 1.0 19.19 ? 48 LEU C C 1 48 . C ATOM 2069 O O . LEU C 1 48 ? 83.978 15.830 17.712 1.0 20.43 ? 48 LEU C O 1 48 . C ATOM 2070 C CB . LEU C 1 48 ? 85.506 18.387 17.038 1.0 17.87 ? 48 LEU C CB 1 48 . C ATOM 2071 C CG . LEU C 1 48 ? 86.402 19.086 16.022 1.0 19.57 ? 48 LEU C CG 1 48 . C ATOM 2072 C CD1 . LEU C 1 48 ? 87.848 19.128 16.521 1.0 20.15 ? 48 LEU C CD1 1 48 . C ATOM 2073 C CD2 . LEU C 1 48 ? 86.347 18.404 14.664 1.0 20.31 ? 48 LEU C CD2 1 48 . C ATOM 2074 N N . SER C 1 49 ? 82.526 17.429 18.317 1.0 19.04 ? 49 SER C N 1 49 . C ATOM 2075 C CA . SER C 1 49 ? 81.846 16.607 19.308 1.0 18.93 ? 49 SER C CA 1 49 . C ATOM 2076 C C . SER C 1 49 ? 80.676 17.385 19.901 1.0 19.2 ? 49 SER C C 1 49 . C ATOM 2077 O O . SER C 1 49 ? 80.382 18.496 19.440 1.0 19.24 ? 49 SER C O 1 49 . C ATOM 2078 C CB . SER C 1 49 ? 82.807 16.154 20.399 1.0 20.3 ? 49 SER C CB 1 49 . C ATOM 2079 O OG . SER C 1 49 ? 82.249 15.116 21.180 1.0 19.97 ? 49 SER C OG 1 49 . C ATOM 2080 N N . ARG C 1 50 ? 80.048 16.844 20.936 1.0 18.18 ? 50 ARG C N 1 50 . C ATOM 2081 C CA . ARG C 1 50 ? 78.924 17.518 21.572 1.0 18.02 ? 50 ARG C CA 1 50 . C ATOM 2082 C C . ARG C 1 50 ? 79.087 17.541 23.089 1.0 17.8 ? 50 ARG C C 1 50 . C ATOM 2083 O O . ARG C 1 50 ? 79.651 16.619 23.671 1.0 17.6 ? 50 ARG C O 1 50 . C ATOM 2084 C CB . ARG C 1 50 ? 77.600 16.824 21.224 1.0 17.19 ? 50 ARG C CB 1 50 . C ATOM 2085 C CG . ARG C 1 50 ? 77.070 17.117 19.835 1.0 17.29 ? 50 ARG C CG 1 50 . C ATOM 2086 C CD . ARG C 1 50 ? 76.678 18.585 19.693 1.0 17.07 ? 50 ARG C CD 1 50 . C ATOM 2087 N NE . ARG C 1 50 ? 75.528 18.897 20.533 1.0 18.39 ? 50 ARG C NE 1 50 . C ATOM 2088 C CZ . ARG C 1 50 ? 74.263 18.670 20.208 1.0 19.81 ? 50 ARG C CZ 1 50 . C ATOM 2089 N NH1 . ARG C 1 50 ? 73.947 18.149 19.029 1.0 20.12 ? 50 ARG C NH1 1 50 . C ATOM 2090 N NH2 . ARG C 1 50 ? 73.294 18.992 21.057 1.0 19.57 ? 50 ARG C NH2 1 50 . C ATOM 2091 N N . SER C 1 51 ? 78.588 18.596 23.715 1.0 17.65 ? 51 SER C N 1 51 . C ATOM 2092 C CA . SER C 1 51 ? 78.610 18.730 25.160 1.0 18.01 ? 51 SER C CA 1 51 . C ATOM 2093 C C . SER C 1 51 ? 79.978 18.681 25.797 1.0 17.6 ? 51 SER C C 1 51 . C ATOM 2094 O O . SER C 1 51 ? 80.157 18.006 26.827 1.0 17.56 ? 51 SER C O 1 51 . C ATOM 2095 C CB . SER C 1 51 ? 77.715 17.619 25.766 1.0 17.38 ? 51 SER C CB 1 51 . C ATOM 2096 O OG . SER C 1 51 ? 76.470 17.582 25.083 1.0 16.27 ? 51 SER C OG 1 51 . C ATOM 2097 N N . CYS C 1 52 ? 80.953 19.416 25.261 1.0 17.07 ? 52 CYS C N 1 52 . C ATOM 2098 C CA . CYS C 1 52 ? 82.290 19.416 25.836 1.0 16.29 ? 52 CYS C CA 1 52 . C ATOM 2099 C C . CYS C 1 52 ? 82.344 20.222 27.135 1.0 16.26 ? 52 CYS C C 1 52 . C ATOM 2100 O O . CYS C 1 52 ? 81.463 21.019 27.447 1.0 16.22 ? 52 CYS C O 1 52 . C ATOM 2101 C CB . CYS C 1 52 ? 83.335 19.964 24.868 1.0 15.62 ? 52 CYS C CB 1 52 . C ATOM 2102 S SG . CYS C 1 52 ? 83.679 18.904 23.430 1.0 15.13 ? 52 CYS C SG 1 52 . C ATOM 2103 N N . PHE C 1 53 ? 83.426 19.997 27.880 1.0 15.63 ? 53 PHE C N 1 53 . C ATOM 2104 C CA . PHE C 1 53 ? 83.658 20.747 29.116 1.0 14.45 ? 53 PHE C CA 1 53 . C ATOM 2105 C C . PHE C 1 53 ? 85.080 21.313 29.080 1.0 13.65 ? 53 PHE C C 1 53 . C ATOM 2106 O O . PHE C 1 53 ? 85.959 20.723 28.448 1.0 12.64 ? 53 PHE C O 1 53 . C ATOM 2107 C CB . PHE C 1 53 ? 83.395 19.945 30.350 1.0 14.5 ? 53 PHE C CB 1 53 . C ATOM 2108 C CG . PHE C 1 53 ? 84.213 18.736 30.641 1.0 15.85 ? 53 PHE C CG 1 53 . C ATOM 2109 C CD1 . PHE C 1 53 ? 83.886 17.502 30.090 1.0 17.72 ? 53 PHE C CD1 1 53 . C ATOM 2110 C CD2 . PHE C 1 53 ? 85.260 18.787 31.552 1.0 16.95 ? 53 PHE C CD2 1 53 . C ATOM 2111 C CE1 . PHE C 1 53 ? 84.607 16.363 30.407 1.0 18.52 ? 53 PHE C CE1 1 53 . C ATOM 2112 C CE2 . PHE C 1 53 ? 85.988 17.657 31.872 1.0 16.8 ? 53 PHE C CE2 1 53 . C ATOM 2113 C CZ . PHE C 1 53 ? 85.666 16.446 31.293 1.0 18.1 ? 53 PHE C CZ 1 53 . C ATOM 2114 N N . LEU C 1 54 ? 85.269 22.472 29.692 1.0 13.31 ? 54 LEU C N 1 54 . C ATOM 2115 C CA . LEU C 1 54 ? 86.598 23.091 29.728 1.0 13.06 ? 54 LEU C CA 1 54 . C ATOM 2116 C C . LEU C 1 54 ? 87.200 22.882 31.115 1.0 13.65 ? 54 LEU C C 1 54 . C ATOM 2117 O O . LEU C 1 54 ? 86.552 23.173 32.120 1.0 14.06 ? 54 LEU C O 1 54 . C ATOM 2118 C CB . LEU C 1 54 ? 86.531 24.574 29.397 1.0 11.62 ? 54 LEU C CB 1 54 . C ATOM 2119 C CG . LEU C 1 54 ? 87.864 25.327 29.397 1.0 11.3 ? 54 LEU C CG 1 54 . C ATOM 2120 C CD1 . LEU C 1 54 ? 88.747 24.839 28.255 1.0 10.88 ? 54 LEU C CD1 1 54 . C ATOM 2121 C CD2 . LEU C 1 54 ? 87.635 26.826 29.304 1.0 11.34 ? 54 LEU C CD2 1 54 . C ATOM 2122 N N . SER C 1 55 ? 88.424 22.376 31.161 1.0 14.54 ? 55 SER C N 1 55 . C ATOM 2123 C CA . SER C 1 55 ? 89.062 22.111 32.448 1.0 14.97 ? 55 SER C CA 1 55 . C ATOM 2124 C C . SER C 1 55 ? 90.409 22.787 32.609 1.0 14.91 ? 55 SER C C 1 55 . C ATOM 2125 O O . SER C 1 55 ? 91.305 22.639 31.779 1.0 15.21 ? 55 SER C O 1 55 . C ATOM 2126 C CB . SER C 1 55 ? 89.172 20.592 32.629 1.0 15.19 ? 55 SER C CB 1 55 . C ATOM 2127 O OG . SER C 1 55 ? 89.924 20.273 33.777 1.0 19.86 ? 55 SER C OG 1 55 . C ATOM 2128 N N . MET C 1 56 ? 90.534 23.589 33.663 1.0 14.03 ? 56 MET C N 1 56 . C ATOM 2129 C CA . MET C 1 56 ? 91.814 24.243 33.991 1.0 14.11 ? 56 MET C CA 1 56 . C ATOM 2130 C C . MET C 1 56 ? 92.513 23.271 34.957 1.0 14.17 ? 56 MET C C 1 56 . C ATOM 2131 O O . MET C 1 56 ? 92.041 23.099 36.082 1.0 14.47 ? 56 MET C O 1 56 . C ATOM 2132 C CB . MET C 1 56 ? 91.589 25.586 34.639 1.0 13.89 ? 56 MET C CB 1 56 . C ATOM 2133 C CG . MET C 1 56 ? 92.805 26.295 35.188 1.0 14.82 ? 56 MET C CG 1 56 . C ATOM 2134 S SD . MET C 1 56 ? 93.908 26.948 33.924 1.0 15.97 ? 56 MET C SD 1 56 . C ATOM 2135 C CE . MET C 1 56 ? 95.090 25.622 33.768 1.0 16.17 ? 56 MET C CE 1 56 . C ATOM 2136 N N . GLN C 1 57 ? 93.523 22.568 34.473 1.0 14.01 ? 57 GLN C N 1 57 . C ATOM 2137 C CA . GLN C 1 57 ? 94.176 21.549 35.280 1.0 14.24 ? 57 GLN C CA 1 57 . C ATOM 2138 C C . GLN C 1 57 ? 95.274 22.041 36.188 1.0 15.01 ? 57 GLN C C 1 57 . C ATOM 2139 O O . GLN C 1 57 ? 95.857 23.110 36.029 1.0 14.96 ? 57 GLN C O 1 57 . C ATOM 2140 C CB . GLN C 1 57 ? 94.701 20.432 34.359 1.0 13.67 ? 57 GLN C CB 1 57 . C ATOM 2141 C CG . GLN C 1 57 ? 93.622 19.846 33.470 1.0 13.29 ? 57 GLN C CG 1 57 . C ATOM 2142 C CD . GLN C 1 57 ? 94.135 18.775 32.539 1.0 15.7 ? 57 GLN C CD 1 57 . C ATOM 2143 O OE1 . GLN C 1 57 ? 95.342 18.655 32.303 1.0 16.71 ? 57 GLN C OE1 1 57 . C ATOM 2144 N NE2 . GLN C 1 57 ? 93.215 17.990 31.993 1.0 15.47 ? 57 GLN C NE2 1 57 . C ATOM 2145 N N . THR C 1 58 ? 95.642 21.182 37.149 1.0 16.66 ? 58 THR C N 1 58 . C ATOM 2146 C CA . THR C 1 58 ? 96.689 21.465 38.113 1.0 18.17 ? 58 THR C CA 1 58 . C ATOM 2147 C C . THR C 1 58 ? 98.081 21.304 37.523 1.0 18.36 ? 58 THR C C 1 58 . C ATOM 2148 O O . THR C 1 58 ? 99.076 21.626 38.185 1.0 19.34 ? 58 THR C O 1 58 . C ATOM 2149 C CB . THR C 1 58 ? 96.565 20.573 39.365 1.0 19.1 ? 58 THR C CB 1 58 . C ATOM 2150 O OG1 . THR C 1 58 ? 96.634 19.200 38.967 1.0 22.03 ? 58 THR C OG1 1 58 . C ATOM 2151 C CG2 . THR C 1 58 ? 95.241 20.822 40.069 1.0 20.47 ? 58 THR C CG2 1 58 . C ATOM 2152 N N . ASP C 1 59 ? 98.169 20.832 36.285 1.0 17.78 ? 59 ASP C N 1 59 . C ATOM 2153 C CA . ASP C 1 59 ? 99.441 20.696 35.594 1.0 18.37 ? 59 ASP C CA 1 59 . C ATOM 2154 C C . ASP C 1 59 ? 99.689 21.937 34.731 1.0 18.29 ? 59 ASP C C 1 59 . C ATOM 2155 O O . ASP C 1 59 ? 100.685 22.030 34.027 1.0 19.09 ? 59 ASP C O 1 59 . C ATOM 2156 C CB . ASP C 1 59 ? 99.529 19.438 34.763 1.0 20.23 ? 59 ASP C CB 1 59 . C ATOM 2157 C CG . ASP C 1 59 ? 98.622 19.341 33.570 1.0 22.54 ? 59 ASP C CG 1 59 . C ATOM 2158 O OD1 . ASP C 1 59 ? 97.766 20.225 33.351 1.0 23.39 ? 59 ASP C OD1 1 59 . C ATOM 2159 O OD2 . ASP C 1 59 ? 98.751 18.355 32.797 1.0 23.15 ? 59 ASP C OD2 1 59 . C ATOM 2160 N N . GLY C 1 60 ? 98.743 22.873 34.771 1.0 17.2 ? 60 GLY C N 1 60 . C ATOM 2161 C CA . GLY C 1 60 ? 98.831 24.113 34.035 1.0 15.81 ? 60 GLY C CA 1 60 . C ATOM 2162 C C . GLY C 1 60 ? 98.194 24.063 32.663 1.0 14.87 ? 60 GLY C C 1 60 . C ATOM 2163 O O . GLY C 1 60 ? 98.174 25.068 31.940 1.0 15.61 ? 60 GLY C O 1 60 . C ATOM 2164 N N . ASN C 1 61 ? 97.645 22.918 32.283 1.0 13.68 ? 61 ASN C N 1 61 . C ATOM 2165 C CA . ASN C 1 61 ? 97.044 22.742 30.973 1.0 12.7 ? 61 ASN C CA 1 61 . C ATOM 2166 C C . ASN C 1 61 ? 95.555 23.058 30.970 1.0 11.97 ? 61 ASN C C 1 61 . C ATOM 2167 O O . ASN C 1 61 ? 94.823 22.625 31.855 1.0 11.57 ? 61 ASN C O 1 61 . C ATOM 2168 C CB . ASN C 1 61 ? 97.257 21.290 30.515 1.0 14.02 ? 61 ASN C CB 1 61 . C ATOM 2169 C CG . ASN C 1 61 ? 97.521 21.172 29.033 1.0 14.86 ? 61 ASN C CG 1 61 . C ATOM 2170 O OD1 . ASN C 1 61 ? 97.571 22.169 28.314 1.0 16.72 ? 61 ASN C OD1 1 61 . C ATOM 2171 N ND2 . ASN C 1 61 ? 97.720 19.940 28.570 1.0 15.31 ? 61 ASN C ND2 1 61 . C ATOM 2172 N N . LEU C 1 62 ? 95.126 23.808 29.965 1.0 11.44 ? 62 LEU C N 1 62 . C ATOM 2173 C CA . LEU C 1 62 ? 93.704 24.147 29.798 1.0 10.62 ? 62 LEU C CA 1 62 . C ATOM 2174 C C . LEU C 1 62 ? 93.167 23.262 28.665 1.0 10.41 ? 62 LEU C C 1 62 . C ATOM 2175 O O . LEU C 1 62 ? 93.550 23.427 27.512 1.0 10.13 ? 62 LEU C O 1 62 . C ATOM 2176 C CB . LEU C 1 62 ? 93.544 25.617 29.470 1.0 9.93 ? 62 LEU C CB 1 62 . C ATOM 2177 C CG . LEU C 1 62 ? 92.130 26.145 29.252 1.0 10.95 ? 62 LEU C CG 1 62 . C ATOM 2178 C CD1 . LEU C 1 62 ? 91.365 26.206 30.569 1.0 10.65 ? 62 LEU C CD1 1 62 . C ATOM 2179 C CD2 . LEU C 1 62 ? 92.162 27.517 28.589 1.0 11.23 ? 62 LEU C CD2 1 62 . C ATOM 2180 N N . VAL C 1 63 ? 92.369 22.258 29.019 1.0 10.42 ? 63 VAL C N 1 63 . C ATOM 2181 C CA . VAL C 1 63 ? 91.887 21.285 28.073 1.0 10.9 ? 63 VAL C CA 1 63 . C ATOM 2182 C C . VAL C 1 63 ? 90.385 21.251 27.839 1.0 11.58 ? 63 VAL C C 1 63 . C ATOM 2183 O O . VAL C 1 63 ? 89.576 21.234 28.766 1.0 12.0 ? 63 VAL C O 1 63 . C ATOM 2184 C CB . VAL C 1 63 ? 92.281 19.844 28.534 1.0 10.25 ? 63 VAL C CB 1 63 . C ATOM 2185 C CG1 . VAL C 1 63 ? 92.121 18.873 27.375 1.0 9.21 ? 63 VAL C CG1 1 63 . C ATOM 2186 C CG2 . VAL C 1 63 ? 93.677 19.809 29.108 1.0 9.5 ? 63 VAL C CG2 1 63 . C ATOM 2187 N N . VAL C 1 64 ? 90.013 21.119 26.565 1.0 11.96 ? 64 VAL C N 1 64 . C ATOM 2188 C CA . VAL C 1 64 ? 88.612 20.966 26.173 1.0 11.91 ? 64 VAL C CA 1 64 . C ATOM 2189 C C . VAL C 1 64 ? 88.356 19.464 25.984 1.0 12.87 ? 64 VAL C C 1 64 . C ATOM 2190 O O . VAL C 1 64 ? 88.962 18.843 25.107 1.0 13.99 ? 64 VAL C O 1 64 . C ATOM 2191 C CB . VAL C 1 64 ? 88.282 21.704 24.873 1.0 11.01 ? 64 VAL C CB 1 64 . C ATOM 2192 C CG1 . VAL C 1 64 ? 86.876 21.353 24.385 1.0 10.17 ? 64 VAL C CG1 1 64 . C ATOM 2193 C CG2 . VAL C 1 64 ? 88.408 23.207 25.055 1.0 10.83 ? 64 VAL C CG2 1 64 . C ATOM 2194 N N . TYR C 1 65 ? 87.550 18.878 26.848 1.0 13.33 ? 65 TYR C N 1 65 . C ATOM 2195 C CA . TYR C 1 65 ? 87.250 17.461 26.786 1.0 14.39 ? 65 TYR C CA 1 65 . C ATOM 2196 C C . TYR C 1 65 ? 85.824 17.220 26.277 1.0 15.78 ? 65 TYR C C 1 65 . C ATOM 2197 O O . TYR C 1 65 ? 84.956 18.061 26.501 1.0 16.3 ? 65 TYR C O 1 65 . C ATOM 2198 C CB . TYR C 1 65 ? 87.304 16.844 28.195 1.0 13.87 ? 65 TYR C CB 1 65 . C ATOM 2199 C CG . TYR C 1 65 ? 88.683 16.660 28.763 1.0 14.64 ? 65 TYR C CG 1 65 . C ATOM 2200 C CD1 . TYR C 1 65 ? 89.518 15.648 28.302 1.0 14.83 ? 65 TYR C CD1 1 65 . C ATOM 2201 C CD2 . TYR C 1 65 ? 89.145 17.472 29.791 1.0 15.27 ? 65 TYR C CD2 1 65 . C ATOM 2202 C CE1 . TYR C 1 65 ? 90.779 15.459 28.837 1.0 15.48 ? 65 TYR C CE1 1 65 . C ATOM 2203 C CE2 . TYR C 1 65 ? 90.413 17.305 30.321 1.0 16.43 ? 65 TYR C CE2 1 65 . C ATOM 2204 C CZ . TYR C 1 65 ? 91.221 16.294 29.842 1.0 16.27 ? 65 TYR C CZ 1 65 . C ATOM 2205 O OH . TYR C 1 65 ? 92.475 16.119 30.375 1.0 16.9 ? 65 TYR C OH 1 65 . C ATOM 2206 N N . ASN C 1 66 ? 85.616 16.058 25.674 1.0 16.98 ? 66 ASN C N 1 66 . C ATOM 2207 C CA . ASN C 1 66 ? 84.234 15.691 25.267 1.0 17.92 ? 66 ASN C CA 1 66 . C ATOM 2208 C C . ASN C 1 66 ? 83.716 14.789 26.387 1.0 18.1 ? 66 ASN C C 1 66 . C ATOM 2209 O O . ASN C 1 66 ? 84.504 14.403 27.265 1.0 18.35 ? 66 ASN C O 1 66 . C ATOM 2210 C CB . ASN C 1 66 ? 84.217 15.048 23.915 1.0 18.84 ? 66 ASN C CB 1 66 . C ATOM 2211 C CG . ASN C 1 66 ? 84.649 13.606 23.856 1.0 20.21 ? 66 ASN C CG 1 66 . C ATOM 2212 O OD1 . ASN C 1 66 ? 85.211 13.051 24.803 1.0 20.23 ? 66 ASN C OD1 1 66 . C ATOM 2213 N ND2 . ASN C 1 66 ? 84.379 12.968 22.718 1.0 20.54 ? 66 ASN C ND2 1 66 . C ATOM 2214 N N . PRO C 1 67 ? 82.456 14.401 26.364 1.0 18.03 ? 67 PRO C N 1 67 . C ATOM 2215 C CA . PRO C 1 67 ? 81.858 13.573 27.385 1.0 18.06 ? 67 PRO C CA 1 67 . C ATOM 2216 C C . PRO C 1 67 ? 82.578 12.286 27.693 1.0 19.52 ? 67 PRO C C 1 67 . C ATOM 2217 O O . PRO C 1 67 ? 82.479 11.772 28.822 1.0 19.67 ? 67 PRO C O 1 67 . C ATOM 2218 C CB . PRO C 1 67 ? 80.443 13.320 26.881 1.0 17.36 ? 67 PRO C CB 1 67 . C ATOM 2219 C CG . PRO C 1 67 ? 80.153 14.444 25.953 1.0 17.1 ? 67 PRO C CG 1 67 . C ATOM 2220 C CD . PRO C 1 67 ? 81.470 14.840 25.345 1.0 17.55 ? 67 PRO C CD 1 67 . C ATOM 2221 N N . SER C 1 68 ? 83.327 11.723 26.749 1.0 20.89 ? 68 SER C N 1 68 . C ATOM 2222 C CA . SER C 1 68 ? 84.072 10.495 26.945 1.0 22.47 ? 68 SER C CA 1 68 . C ATOM 2223 C C . SER C 1 68 ? 85.460 10.742 27.522 1.0 22.09 ? 68 SER C C 1 68 . C ATOM 2224 O O . SER C 1 68 ? 86.260 9.814 27.664 1.0 21.81 ? 68 SER C O 1 68 . C ATOM 2225 C CB . SER C 1 68 ? 84.214 9.726 25.621 1.0 24.18 ? 68 SER C CB 1 68 . C ATOM 2226 O OG . SER C 1 68 ? 82.997 9.747 24.894 1.0 28.9 ? 68 SER C OG 1 68 . C ATOM 2227 N N . ASN C 1 69 ? 85.774 11.992 27.827 1.0 21.89 ? 69 ASN C N 1 69 . C ATOM 2228 C CA . ASN C 1 69 ? 87.035 12.397 28.391 1.0 22.6 ? 69 ASN C CA 1 69 . C ATOM 2229 C C . ASN C 1 69 ? 88.181 12.359 27.397 1.0 22.49 ? 69 ASN C C 1 69 . C ATOM 2230 O O . ASN C 1 69 ? 89.342 12.194 27.769 1.0 22.03 ? 69 ASN C O 1 69 . C ATOM 2231 C CB . ASN C 1 69 ? 87.376 11.620 29.667 1.0 25.43 ? 69 ASN C CB 1 69 . C ATOM 2232 C CG . ASN C 1 69 ? 86.408 12.024 30.781 1.0 28.41 ? 69 ASN C CG 1 69 . C ATOM 2233 O OD1 . ASN C 1 69 ? 86.320 13.209 31.103 1.0 29.52 ? 69 ASN C OD1 1 69 . C ATOM 2234 N ND2 . ASN C 1 69 ? 85.651 11.056 31.268 1.0 28.34 ? 69 ASN C ND2 1 69 . C ATOM 2235 N N . LYS C 1 70 ? 87.845 12.528 26.125 1.0 22.88 ? 70 LYS C N 1 70 . C ATOM 2236 C CA . LYS C 1 70 ? 88.847 12.600 25.065 1.0 24.18 ? 70 LYS C CA 1 70 . C ATOM 2237 C C . LYS C 1 70 ? 89.125 14.094 24.828 1.0 22.71 ? 70 LYS C C 1 70 . C ATOM 2238 O O . LYS C 1 70 ? 88.189 14.881 24.694 1.0 23.45 ? 70 LYS C O 1 70 . C ATOM 2239 C CB . LYS C 1 70 ? 88.362 11.941 23.777 1.0 27.4 ? 70 LYS C CB 1 70 . C ATOM 2240 C CG . LYS C 1 70 ? 89.298 12.172 22.601 1.0 33.21 ? 70 LYS C CG 1 70 . C ATOM 2241 C CD . LYS C 1 70 ? 88.672 11.782 21.273 1.0 36.42 ? 70 LYS C CD 1 70 . C ATOM 2242 C CE . LYS C 1 70 ? 89.603 12.147 20.121 1.0 38.75 ? 70 LYS C CE 1 70 . C ATOM 2243 N NZ . LYS C 1 70 ? 89.564 11.130 19.032 1.0 40.23 ? 70 LYS C NZ 1 70 . C ATOM 2244 N N . PRO C 1 71 ? 90.386 14.470 24.891 1.0 21.42 ? 71 PRO C N 1 71 . C ATOM 2245 C CA . PRO C 1 71 ? 90.788 15.855 24.708 1.0 20.51 ? 71 PRO C CA 1 71 . C ATOM 2246 C C . PRO C 1 71 ? 90.567 16.295 23.272 1.0 19.86 ? 71 PRO C C 1 71 . C ATOM 2247 O O . PRO C 1 71 ? 91.086 15.676 22.343 1.0 20.84 ? 71 PRO C O 1 71 . C ATOM 2248 C CB . PRO C 1 71 ? 92.256 15.858 25.086 1.0 20.1 ? 71 PRO C CB 1 71 . C ATOM 2249 C CG . PRO C 1 71 ? 92.725 14.470 24.830 1.0 20.34 ? 71 PRO C CG 1 71 . C ATOM 2250 C CD . PRO C 1 71 ? 91.548 13.570 25.081 1.0 20.68 ? 71 PRO C CD 1 71 . C ATOM 2251 N N . ILE C 1 72 ? 89.755 17.322 23.089 1.0 19.2 ? 72 ILE C N 1 72 . C ATOM 2252 C CA . ILE C 1 72 ? 89.445 17.851 21.761 1.0 18.2 ? 72 ILE C CA 1 72 . C ATOM 2253 C C . ILE C 1 72 ? 90.427 18.967 21.408 1.0 17.87 ? 72 ILE C C 1 72 . C ATOM 2254 O O . ILE C 1 72 ? 90.831 19.134 20.259 1.0 17.92 ? 72 ILE C O 1 72 . C ATOM 2255 C CB . ILE C 1 72 ? 88.005 18.403 21.732 1.0 18.19 ? 72 ILE C CB 1 72 . C ATOM 2256 C CG1 . ILE C 1 72 ? 86.992 17.289 22.015 1.0 18.04 ? 72 ILE C CG1 1 72 . C ATOM 2257 C CG2 . ILE C 1 72 ? 87.692 19.093 20.420 1.0 18.1 ? 72 ILE C CG2 1 72 . C ATOM 2258 C CD1 . ILE C 1 72 ? 87.027 16.147 21.025 1.0 16.98 ? 72 ILE C CD1 1 72 . C ATOM 2259 N N . TRP C 1 73 ? 90.809 19.731 22.425 1.0 16.22 ? 73 TRP C N 1 73 . C ATOM 2260 C CA . TRP C 1 73 ? 91.741 20.839 22.266 1.0 14.89 ? 73 TRP C CA 1 73 . C ATOM 2261 C C . TRP C 1 73 ? 92.499 21.043 23.580 1.0 15.03 ? 73 TRP C C 1 73 . C ATOM 2262 O O . TRP C 1 73 ? 91.984 20.707 24.647 1.0 14.85 ? 73 TRP C O 1 73 . C ATOM 2263 C CB . TRP C 1 73 ? 90.997 22.119 21.894 1.0 14.17 ? 73 TRP C CB 1 73 . C ATOM 2264 C CG . TRP C 1 73 ? 91.854 23.334 21.746 1.0 14.47 ? 73 TRP C CG 1 73 . C ATOM 2265 C CD1 . TRP C 1 73 ? 92.444 23.786 20.599 1.0 15.05 ? 73 TRP C CD1 1 73 . C ATOM 2266 C CD2 . TRP C 1 73 ? 92.227 24.262 22.773 1.0 15.57 ? 73 TRP C CD2 1 73 . C ATOM 2267 N NE1 . TRP C 1 73 ? 93.166 24.925 20.851 1.0 14.32 ? 73 TRP C NE1 1 73 . C ATOM 2268 C CE2 . TRP C 1 73 ? 93.052 25.238 22.180 1.0 15.25 ? 73 TRP C CE2 1 73 . C ATOM 2269 C CE3 . TRP C 1 73 ? 91.948 24.355 24.141 1.0 16.76 ? 73 TRP C CE3 1 73 . C ATOM 2270 C CZ2 . TRP C 1 73 ? 93.593 26.301 22.902 1.0 14.92 ? 73 TRP C CZ2 1 73 . C ATOM 2271 C CZ3 . TRP C 1 73 ? 92.491 25.407 24.857 1.0 17.11 ? 73 TRP C CZ3 1 73 . C ATOM 2272 C CH2 . TRP C 1 73 ? 93.300 26.370 24.233 1.0 16.05 ? 73 TRP C CH2 1 73 . C ATOM 2273 N N . ALA C 1 74 ? 93.712 21.565 23.484 1.0 14.89 ? 74 ALA C N 1 74 . C ATOM 2274 C CA . ALA C 1 74 ? 94.516 21.832 24.680 1.0 14.35 ? 74 ALA C CA 1 74 . C ATOM 2275 C C . ALA C 1 74 ? 95.438 23.016 24.421 1.0 14.64 ? 74 ALA C C 1 74 . C ATOM 2276 O O . ALA C 1 74 ? 95.885 23.232 23.293 1.0 14.46 ? 74 ALA C O 1 74 . C ATOM 2277 C CB . ALA C 1 74 ? 95.290 20.601 25.096 1.0 12.42 ? 74 ALA C CB 1 74 . C ATOM 2278 N N . SER C 1 75 ? 95.726 23.784 25.470 1.0 15.25 ? 75 SER C N 1 75 . C ATOM 2279 C CA . SER C 1 75 ? 96.614 24.939 25.328 1.0 16.91 ? 75 SER C CA 1 75 . C ATOM 2280 C C . SER C 1 75 ? 98.059 24.454 25.218 1.0 17.75 ? 75 SER C C 1 75 . C ATOM 2281 O O . SER C 1 75 ? 98.937 25.157 24.732 1.0 19.0 ? 75 SER C O 1 75 . C ATOM 2282 C CB . SER C 1 75 ? 96.447 25.918 26.475 1.0 15.39 ? 75 SER C CB 1 75 . C ATOM 2283 O OG . SER C 1 75 ? 96.786 25.322 27.715 1.0 17.64 ? 75 SER C OG 1 75 . C ATOM 2284 N N . ASN C 1 76 ? 98.285 23.219 25.664 1.0 18.38 ? 76 ASN C N 1 76 . C ATOM 2285 C CA . ASN C 1 76 ? 99.602 22.604 25.597 1.0 19.36 ? 76 ASN C CA 1 76 . C ATOM 2286 C C . ASN C 1 76 ? 100.605 23.403 26.409 1.0 20.41 ? 76 ASN C C 1 76 . C ATOM 2287 O O . ASN C 1 76 ? 101.659 23.804 25.935 1.0 21.71 ? 76 ASN C O 1 76 . C ATOM 2288 C CB . ASN C 1 76 ? 100.038 22.466 24.132 1.0 16.59 ? 76 ASN C CB 1 76 . C ATOM 2289 C CG . ASN C 1 76 ? 99.119 21.476 23.414 1.0 17.29 ? 76 ASN C CG 1 76 . C ATOM 2290 O OD1 . ASN C 1 76 ? 98.994 20.338 23.861 1.0 16.38 ? 76 ASN C OD1 1 76 . C ATOM 2291 N ND2 . ASN C 1 76 ? 98.459 21.935 22.364 1.0 16.22 ? 76 ASN C ND2 1 76 . C ATOM 2292 N N . THR C 1 77 ? 100.215 23.696 27.649 1.0 21.66 ? 77 THR C N 1 77 . C ATOM 2293 C CA . THR C 1 77 ? 101.057 24.442 28.574 1.0 22.46 ? 77 THR C CA 1 77 . C ATOM 2294 C C . THR C 1 77 ? 101.233 23.611 29.849 1.0 24.76 ? 77 THR C C 1 77 . C ATOM 2295 O O . THR C 1 77 ? 101.454 24.119 30.935 1.0 25.54 ? 77 THR C O 1 77 . C ATOM 2296 C CB . THR C 1 77 ? 100.512 25.827 28.902 1.0 20.13 ? 77 THR C CB 1 77 . C ATOM 2297 O OG1 . THR C 1 77 ? 99.161 25.741 29.365 1.0 19.07 ? 77 THR C OG1 1 77 . C ATOM 2298 C CG2 . THR C 1 77 ? 100.562 26.739 27.677 1.0 19.46 ? 77 THR C CG2 1 77 . C ATOM 2299 N N . GLY C 1 78 ? 101.103 22.294 29.665 1.0 27.5 ? 78 GLY C N 1 78 . C ATOM 2300 C CA . GLY C 1 78 ? 101.279 21.361 30.785 1.0 30.73 ? 78 GLY C CA 1 78 . C ATOM 2301 C C . GLY C 1 78 ? 102.696 21.572 31.337 1.0 33.58 ? 78 GLY C C 1 78 . C ATOM 2302 O O . GLY C 1 78 ? 103.557 22.121 30.643 1.0 34.27 ? 78 GLY C O 1 78 . C ATOM 2303 N N . GLY C 1 79 ? 102.902 21.175 32.584 1.0 35.32 ? 79 GLY C N 1 79 . C ATOM 2304 C CA . GLY C 1 79 ? 104.209 21.336 33.203 1.0 36.38 ? 79 GLY C CA 1 79 . C ATOM 2305 C C . GLY C 1 79 ? 104.158 21.129 34.709 1.0 36.76 ? 79 GLY C C 1 79 . C ATOM 2306 O O . GLY C 1 79 ? 103.659 20.129 35.219 1.0 36.18 ? 79 GLY C O 1 79 . C ATOM 2307 N N . GLN C 1 80 ? 104.728 22.097 35.418 1.0 37.25 ? 80 GLN C N 1 80 . C ATOM 2308 C CA . GLN C 1 80 ? 104.789 22.049 36.872 1.0 37.72 ? 80 GLN C CA 1 80 . C ATOM 2309 C C . GLN C 1 80 ? 103.405 21.832 37.468 1.0 36.27 ? 80 GLN C C 1 80 . C ATOM 2310 O O . GLN C 1 80 ? 102.465 22.558 37.133 1.0 36.44 ? 80 GLN C O 1 80 . C ATOM 2311 C CB . GLN C 1 80 ? 105.391 23.363 37.385 1.0 40.64 ? 80 GLN C CB 1 80 . C ATOM 2312 C CG . GLN C 1 80 ? 105.933 23.310 38.797 1.0 45.6 ? 80 GLN C CG 1 80 . C ATOM 2313 C CD . GLN C 1 80 ? 106.538 24.628 39.240 1.0 47.73 ? 80 GLN C CD 1 80 . C ATOM 2314 O OE1 . GLN C 1 80 ? 107.049 25.401 38.425 1.0 49.43 ? 80 GLN C OE1 1 80 . C ATOM 2315 N NE2 . GLN C 1 80 ? 106.485 24.889 40.542 1.0 49.16 ? 80 GLN C NE2 1 80 . C ATOM 2316 N N . ASN C 1 81 ? 103.273 20.801 38.299 1.0 34.4 ? 81 ASN C N 1 81 . C ATOM 2317 C CA . ASN C 1 81 ? 101.975 20.582 38.968 1.0 32.33 ? 81 ASN C CA 1 81 . C ATOM 2318 C C . ASN C 1 81 ? 101.859 21.699 40.012 1.0 30.13 ? 81 ASN C C 1 81 . C ATOM 2319 O O . ASN C 1 81 ? 102.881 22.035 40.625 1.0 30.24 ? 81 ASN C O 1 81 . C ATOM 2320 C CB . ASN C 1 81 ? 101.917 19.216 39.618 1.0 35.41 ? 81 ASN C CB 1 81 . C ATOM 2321 C CG . ASN C 1 81 ? 100.533 18.594 39.557 1.0 39.58 ? 81 ASN C CG 1 81 . C ATOM 2322 O OD1 . ASN C 1 81 ? 99.724 18.751 40.474 1.0 41.56 ? 81 ASN C OD1 1 81 . C ATOM 2323 N ND2 . ASN C 1 81 ? 100.254 17.897 38.459 1.0 41.29 ? 81 ASN C ND2 1 81 . C ATOM 2324 N N . GLY C 1 82 ? 100.695 22.314 40.138 1.0 27.82 ? 82 GLY C N 1 82 . C ATOM 2325 C CA . GLY C 1 82 ? 100.540 23.398 41.103 1.0 25.1 ? 82 GLY C CA 1 82 . C ATOM 2326 C C . GLY C 1 82 ? 99.202 24.105 40.986 1.0 23.48 ? 82 GLY C C 1 82 . C ATOM 2327 O O . GLY C 1 82 ? 98.213 23.531 40.534 1.0 23.83 ? 82 GLY C O 1 82 . C ATOM 2328 N N . ASN C 1 83 ? 99.169 25.362 41.432 1.0 20.97 ? 83 ASN C N 1 83 . C ATOM 2329 C CA . ASN C 1 83 ? 97.956 26.162 41.396 1.0 18.47 ? 83 ASN C CA 1 83 . C ATOM 2330 C C . ASN C 1 83 ? 98.036 27.205 40.283 1.0 17.18 ? 83 ASN C C 1 83 . C ATOM 2331 O O . ASN C 1 83 ? 98.960 28.011 40.221 1.0 16.82 ? 83 ASN C O 1 83 . C ATOM 2332 C CB . ASN C 1 83 ? 97.686 26.861 42.726 1.0 17.88 ? 83 ASN C CB 1 83 . C ATOM 2333 C CG . ASN C 1 83 ? 97.696 25.918 43.908 1.0 20.04 ? 83 ASN C CG 1 83 . C ATOM 2334 O OD1 . ASN C 1 83 ? 98.603 25.988 44.748 1.0 21.64 ? 83 ASN C OD1 1 83 . C ATOM 2335 N ND2 . ASN C 1 83 ? 96.723 25.022 43.985 1.0 18.45 ? 83 ASN C ND2 1 83 . C ATOM 2336 N N . TYR C 1 84 ? 97.073 27.129 39.371 1.0 15.98 ? 84 TYR C N 1 84 . C ATOM 2337 C CA . TYR C 1 84 ? 96.992 28.039 38.245 1.0 14.74 ? 84 TYR C CA 1 84 . C ATOM 2338 C C . TYR C 1 84 ? 95.586 28.657 38.157 1.0 14.01 ? 84 TYR C C 1 84 . C ATOM 2339 O O . TYR C 1 84 ? 94.611 28.121 38.669 1.0 14.4 ? 84 TYR C O 1 84 . C ATOM 2340 C CB . TYR C 1 84 ? 97.272 27.333 36.925 1.0 14.41 ? 84 TYR C CB 1 84 . C ATOM 2341 C CG . TYR C 1 84 ? 98.617 26.678 36.769 1.0 14.53 ? 84 TYR C CG 1 84 . C ATOM 2342 C CD1 . TYR C 1 84 ? 98.875 25.422 37.311 1.0 14.61 ? 84 TYR C CD1 1 84 . C ATOM 2343 C CD2 . TYR C 1 84 ? 99.622 27.289 36.031 1.0 15.02 ? 84 TYR C CD2 1 84 . C ATOM 2344 C CE1 . TYR C 1 84 ? 100.106 24.814 37.160 1.0 15.83 ? 84 TYR C CE1 1 84 . C ATOM 2345 C CE2 . TYR C 1 84 ? 100.850 26.678 35.856 1.0 16.65 ? 84 TYR C CE2 1 84 . C ATOM 2346 C CZ . TYR C 1 84 ? 101.087 25.446 36.426 1.0 16.9 ? 84 TYR C CZ 1 84 . C ATOM 2347 O OH . TYR C 1 84 ? 102.309 24.843 36.244 1.0 18.15 ? 84 TYR C OH 1 84 . C ATOM 2348 N N . VAL C 1 85 ? 95.510 29.784 37.469 1.0 12.99 ? 85 VAL C N 1 85 . C ATOM 2349 C CA . VAL C 1 85 ? 94.271 30.489 37.240 1.0 11.82 ? 85 VAL C CA 1 85 . C ATOM 2350 C C . VAL C 1 85 ? 94.143 30.863 35.757 1.0 11.65 ? 85 VAL C C 1 85 . C ATOM 2351 O O . VAL C 1 85 ? 95.147 31.169 35.109 1.0 11.58 ? 85 VAL C O 1 85 . C ATOM 2352 C CB . VAL C 1 85 ? 94.173 31.802 38.047 1.0 10.64 ? 85 VAL C CB 1 85 . C ATOM 2353 C CG1 . VAL C 1 85 ? 93.848 31.530 39.501 1.0 11.18 ? 85 VAL C CG1 1 85 . C ATOM 2354 C CG2 . VAL C 1 85 ? 95.458 32.600 37.912 1.0 10.78 ? 85 VAL C CG2 1 85 . C ATOM 2355 N N . CYS C 1 86 ? 92.919 30.806 35.251 1.0 10.68 ? 86 CYS C N 1 86 . C ATOM 2356 C CA . CYS C 1 86 ? 92.661 31.219 33.873 1.0 9.84 ? 86 CYS C CA 1 86 . C ATOM 2357 C C . CYS C 1 86 ? 91.774 32.469 33.948 1.0 9.48 ? 86 CYS C C 1 86 . C ATOM 2358 O O . CYS C 1 86 ? 90.687 32.424 34.517 1.0 9.06 ? 86 CYS C O 1 86 . C ATOM 2359 C CB . CYS C 1 86 ? 92.028 30.149 33.012 1.0 9.01 ? 86 CYS C CB 1 86 . C ATOM 2360 S SG . CYS C 1 86 ? 91.686 30.772 31.326 1.0 12.09 ? 86 CYS C SG 1 86 . C ATOM 2361 N N . ILE C 1 87 ? 92.303 33.593 33.471 1.0 9.45 ? 87 ILE C N 1 87 . C ATOM 2362 C CA . ILE C 1 87 ? 91.628 34.852 33.585 1.0 9.12 ? 87 ILE C CA 1 87 . C ATOM 2363 C C . ILE C 1 87 ? 91.186 35.516 32.294 1.0 10.5 ? 87 ILE C C 1 87 . C ATOM 2364 O O . ILE C 1 87 ? 91.955 35.695 31.354 1.0 10.81 ? 87 ILE C O 1 87 . C ATOM 2365 C CB . ILE C 1 87 ? 92.518 35.893 34.335 1.0 7.95 ? 87 ILE C CB 1 87 . C ATOM 2366 C CG1 . ILE C 1 87 ? 93.108 35.300 35.605 1.0 7.02 ? 87 ILE C CG1 1 87 . C ATOM 2367 C CG2 . ILE C 1 87 ? 91.683 37.126 34.652 1.0 7.89 ? 87 ILE C CG2 1 87 . C ATOM 2368 C CD1 . ILE C 1 87 ? 93.985 36.250 36.392 1.0 7.52 ? 87 ILE C CD1 1 87 . C ATOM 2369 N N . LEU C 1 88 ? 89.922 35.946 32.306 1.0 10.73 ? 88 LEU C N 1 88 . C ATOM 2370 C CA . LEU C 1 88 ? 89.375 36.755 31.203 1.0 11.32 ? 88 LEU C CA 1 88 . C ATOM 2371 C C . LEU C 1 88 ? 89.544 38.202 31.725 1.0 11.85 ? 88 LEU C C 1 88 . C ATOM 2372 O O . LEU C 1 88 ? 88.803 38.636 32.599 1.0 11.88 ? 88 LEU C O 1 88 . C ATOM 2373 C CB . LEU C 1 88 ? 87.942 36.429 30.898 1.0 9.84 ? 88 LEU C CB 1 88 . C ATOM 2374 C CG . LEU C 1 88 ? 87.108 37.435 30.101 1.0 10.87 ? 88 LEU C CG 1 88 . C ATOM 2375 C CD1 . LEU C 1 88 ? 87.827 37.889 28.839 1.0 9.35 ? 88 LEU C CD1 1 88 . C ATOM 2376 C CD2 . LEU C 1 88 ? 85.752 36.841 29.739 1.0 9.81 ? 88 LEU C CD2 1 88 . C ATOM 2377 N N . GLN C 1 89 ? 90.633 38.832 31.307 1.0 12.35 ? 89 GLN C N 1 89 . C ATOM 2378 C CA . GLN C 1 89 ? 91.014 40.134 31.810 1.0 12.22 ? 89 GLN C CA 1 89 . C ATOM 2379 C C . GLN C 1 89 ? 90.187 41.293 31.320 1.0 12.78 ? 89 GLN C C 1 89 . C ATOM 2380 O O . GLN C 1 89 ? 89.474 41.223 30.325 1.0 12.69 ? 89 GLN C O 1 89 . C ATOM 2381 C CB . GLN C 1 89 ? 92.512 40.383 31.495 1.0 11.94 ? 89 GLN C CB 1 89 . C ATOM 2382 C CG . GLN C 1 89 ? 93.400 39.294 32.067 1.0 12.65 ? 89 GLN C CG 1 89 . C ATOM 2383 C CD . GLN C 1 89 ? 94.873 39.488 31.835 1.0 13.07 ? 89 GLN C CD 1 89 . C ATOM 2384 O OE1 . GLN C 1 89 ? 95.694 38.789 32.442 1.0 13.21 ? 89 GLN C OE1 1 89 . C ATOM 2385 N NE2 . GLN C 1 89 ? 95.255 40.406 30.954 1.0 13.04 ? 89 GLN C NE2 1 89 . C ATOM 2386 N N . LYS C 1 90 ? 90.357 42.442 31.987 1.0 13.29 ? 90 LYS C N 1 90 . C ATOM 2387 C CA . LYS C 1 90 ? 89.662 43.665 31.622 1.0 14.58 ? 90 LYS C CA 1 90 . C ATOM 2388 C C . LYS C 1 90 ? 90.171 44.230 30.306 1.0 15.5 ? 90 LYS C C 1 90 . C ATOM 2389 O O . LYS C 1 90 ? 89.508 45.065 29.686 1.0 15.84 ? 90 LYS C O 1 90 . C ATOM 2390 C CB . LYS C 1 90 ? 89.781 44.711 32.732 1.0 14.86 ? 90 LYS C CB 1 90 . C ATOM 2391 C CG . LYS C 1 90 ? 91.205 45.161 33.020 1.0 16.55 ? 90 LYS C CG 1 90 . C ATOM 2392 C CD . LYS C 1 90 ? 91.295 45.880 34.357 1.0 16.67 ? 90 LYS C CD 1 90 . C ATOM 2393 C CE . LYS C 1 90 ? 92.666 46.513 34.550 1.0 18.0 ? 90 LYS C CE 1 90 . C ATOM 2394 N NZ . LYS C 1 90 ? 92.709 47.345 35.791 1.0 17.99 ? 90 LYS C NZ 1 90 . C ATOM 2395 N N . ASP C 1 91 ? 91.341 43.783 29.858 1.0 16.77 ? 91 ASP C N 1 91 . C ATOM 2396 C CA . ASP C 1 91 ? 91.915 44.240 28.599 1.0 17.57 ? 91 ASP C CA 1 91 . C ATOM 2397 C C . ASP C 1 91 ? 91.445 43.363 27.441 1.0 17.52 ? 91 ASP C C 1 91 . C ATOM 2398 O O . ASP C 1 91 ? 91.831 43.577 26.292 1.0 18.38 ? 91 ASP C O 1 91 . C ATOM 2399 C CB . ASP C 1 91 ? 93.430 44.303 28.652 1.0 17.97 ? 91 ASP C CB 1 91 . C ATOM 2400 C CG . ASP C 1 91 ? 94.130 42.979 28.819 1.0 18.07 ? 91 ASP C CG 1 91 . C ATOM 2401 O OD1 . ASP C 1 91 ? 93.475 41.929 28.968 1.0 17.84 ? 91 ASP C OD1 1 91 . C ATOM 2402 O OD2 . ASP C 1 91 ? 95.388 42.972 28.788 1.0 19.73 ? 91 ASP C OD2 1 91 . C ATOM 2403 N N . ARG C 1 92 ? 90.653 42.346 27.751 1.0 16.45 ? 92 ARG C N 1 92 . C ATOM 2404 C CA . ARG C 1 92 ? 90.089 41.445 26.775 1.0 16.24 ? 92 ARG C CA 1 92 . C ATOM 2405 C C . ARG C 1 92 ? 91.003 40.293 26.408 1.0 16.02 ? 92 ARG C C 1 92 . C ATOM 2406 O O . ARG C 1 92 ? 90.727 39.539 25.459 1.0 16.13 ? 92 ARG C O 1 92 . C ATOM 2407 C CB . ARG C 1 92 ? 89.619 42.196 25.533 1.0 18.22 ? 92 ARG C CB 1 92 . C ATOM 2408 C CG . ARG C 1 92 ? 88.616 41.430 24.678 1.0 18.85 ? 92 ARG C CG 1 92 . C ATOM 2409 C CD . ARG C 1 92 ? 89.048 41.497 23.217 1.0 22.41 ? 92 ARG C CD 1 92 . C ATOM 2410 N NE . ARG C 1 92 ? 88.455 42.620 22.517 1.0 24.5 ? 92 ARG C NE 1 92 . C ATOM 2411 C CZ . ARG C 1 92 ? 88.737 42.963 21.264 1.0 26.57 ? 92 ARG C CZ 1 92 . C ATOM 2412 N NH1 . ARG C 1 92 ? 89.626 42.288 20.551 1.0 25.92 ? 92 ARG C NH1 1 92 . C ATOM 2413 N NH2 . ARG C 1 92 ? 88.104 43.992 20.712 1.0 28.79 ? 92 ARG C NH2 1 92 . C ATOM 2414 N N . ASN C 1 93 ? 92.083 40.122 27.163 1.0 14.99 ? 93 ASN C N 1 93 . C ATOM 2415 C CA . ASN C 1 93 ? 93.000 38.999 26.909 1.0 14.47 ? 93 ASN C CA 1 93 . C ATOM 2416 C C . ASN C 1 93 ? 92.614 37.865 27.862 1.0 13.74 ? 93 ASN C C 1 93 . C ATOM 2417 O O . ASN C 1 93 ? 92.147 38.141 28.968 1.0 14.7 ? 93 ASN C O 1 93 . C ATOM 2418 C CB . ASN C 1 93 ? 94.437 39.431 27.140 1.0 14.87 ? 93 ASN C CB 1 93 . C ATOM 2419 C CG . ASN C 1 93 ? 95.487 38.671 26.375 1.0 14.93 ? 93 ASN C CG 1 93 . C ATOM 2420 O OD1 . ASN C 1 93 ? 95.215 37.802 25.543 1.0 14.27 ? 93 ASN C OD1 1 93 . C ATOM 2421 N ND2 . ASN C 1 93 ? 96.755 38.993 26.646 1.0 14.0 ? 93 ASN C ND2 1 93 . C ATOM 2422 N N . VAL C 1 94 ? 92.699 36.635 27.404 1.0 13.23 ? 94 VAL C N 1 94 . C ATOM 2423 C CA . VAL C 1 94 ? 92.439 35.468 28.258 1.0 12.7 ? 94 VAL C CA 1 94 . C ATOM 2424 C C . VAL C 1 94 ? 93.816 34.861 28.559 1.0 13.35 ? 94 VAL C C 1 94 . C ATOM 2425 O O . VAL C 1 94 ? 94.528 34.476 27.623 1.0 13.95 ? 94 VAL C O 1 94 . C ATOM 2426 C CB . VAL C 1 94 ? 91.530 34.431 27.610 1.0 11.71 ? 94 VAL C CB 1 94 . C ATOM 2427 C CG1 . VAL C 1 94 ? 91.425 33.180 28.482 1.0 11.64 ? 94 VAL C CG1 1 94 . C ATOM 2428 C CG2 . VAL C 1 94 ? 90.136 35.001 27.362 1.0 9.74 ? 94 VAL C CG2 1 94 . C ATOM 2429 N N . VAL C 1 95 ? 94.252 34.943 29.816 1.0 13.41 ? 95 VAL C N 1 95 . C ATOM 2430 C CA . VAL C 1 95 ? 95.584 34.482 30.167 1.0 12.74 ? 95 VAL C CA 1 95 . C ATOM 2431 C C . VAL C 1 95 ? 95.600 33.458 31.297 1.0 12.75 ? 95 VAL C C 1 95 . C ATOM 2432 O O . VAL C 1 95 ? 94.814 33.530 32.237 1.0 12.68 ? 95 VAL C O 1 95 . C ATOM 2433 C CB . VAL C 1 95 ? 96.489 35.660 30.623 1.0 12.84 ? 95 VAL C CB 1 95 . C ATOM 2434 C CG1 . VAL C 1 95 ? 97.948 35.215 30.669 1.0 11.25 ? 95 VAL C CG1 1 95 . C ATOM 2435 C CG2 . VAL C 1 95 ? 96.330 36.888 29.757 1.0 10.47 ? 95 VAL C CG2 1 95 . C ATOM 2436 N N . ILE C 1 96 ? 96.558 32.541 31.214 1.0 11.75 ? 96 ILE C N 1 96 . C ATOM 2437 C CA . ILE C 1 96 ? 96.775 31.547 32.262 1.0 11.7 ? 96 ILE C CA 1 96 . C ATOM 2438 C C . ILE C 1 96 ? 98.019 31.984 33.053 1.0 12.47 ? 96 ILE C C 1 96 . C ATOM 2439 O O . ILE C 1 96 ? 99.044 32.305 32.449 1.0 13.05 ? 96 ILE C O 1 96 . C ATOM 2440 C CB . ILE C 1 96 ? 97.001 30.141 31.699 1.0 10.02 ? 96 ILE C CB 1 96 . C ATOM 2441 C CG1 . ILE C 1 96 ? 95.719 29.569 31.090 1.0 9.54 ? 96 ILE C CG1 1 96 . C ATOM 2442 C CG2 . ILE C 1 96 ? 97.534 29.189 32.765 1.0 9.38 ? 96 ILE C CG2 1 96 . C ATOM 2443 C CD1 . ILE C 1 96 ? 95.948 28.343 30.226 1.0 8.11 ? 96 ILE C CD1 1 96 . C ATOM 2444 N N . TYR C 1 97 ? 97.896 32.070 34.361 1.0 13.19 ? 97 TYR C N 1 97 . C ATOM 2445 C CA . TYR C 1 97 ? 99.012 32.462 35.222 1.0 13.3 ? 97 TYR C CA 1 97 . C ATOM 2446 C C . TYR C 1 97 ? 99.265 31.342 36.244 1.0 14.33 ? 97 TYR C C 1 97 . C ATOM 2447 O O . TYR C 1 97 ? 98.311 30.681 36.666 1.0 14.72 ? 97 TYR C O 1 97 . C ATOM 2448 C CB . TYR C 1 97 ? 98.722 33.737 35.979 1.0 11.86 ? 97 TYR C CB 1 97 . C ATOM 2449 C CG . TYR C 1 97 ? 98.595 35.015 35.204 1.0 11.23 ? 97 TYR C CG 1 97 . C ATOM 2450 C CD1 . TYR C 1 97 ? 99.698 35.834 34.972 1.0 11.61 ? 97 TYR C CD1 1 97 . C ATOM 2451 C CD2 . TYR C 1 97 ? 97.355 35.464 34.762 1.0 10.43 ? 97 TYR C CD2 1 97 . C ATOM 2452 C CE1 . TYR C 1 97 ? 99.578 37.031 34.290 1.0 11.03 ? 97 TYR C CE1 1 97 . C ATOM 2453 C CE2 . TYR C 1 97 ? 97.224 36.657 34.081 1.0 10.65 ? 97 TYR C CE2 1 97 . C ATOM 2454 C CZ . TYR C 1 97 ? 98.337 37.438 33.852 1.0 11.58 ? 97 TYR C CZ 1 97 . C ATOM 2455 O OH . TYR C 1 97 ? 98.198 38.637 33.183 1.0 11.63 ? 97 TYR C OH 1 97 . C ATOM 2456 N N . GLY C 1 98 ? 100.512 31.178 36.649 1.0 15.18 ? 98 GLY C N 1 98 . C ATOM 2457 C CA . GLY C 1 98 ? 100.844 30.144 37.640 1.0 15.71 ? 98 GLY C CA 1 98 . C ATOM 2458 C C . GLY C 1 98 ? 102.336 29.823 37.573 1.0 16.14 ? 98 GLY C C 1 98 . C ATOM 2459 O O . GLY C 1 98 ? 102.994 30.185 36.598 1.0 16.68 ? 98 GLY C O 1 98 . C ATOM 2460 N N . THR C 1 99 ? 102.847 29.167 38.599 1.0 15.72 ? 99 THR C N 1 99 . C ATOM 2461 C CA . THR C 1 99 ? 102.040 28.771 39.746 1.0 16.1 ? 99 THR C CA 1 99 . C ATOM 2462 C C . THR C 1 99 ? 101.920 29.914 40.750 1.0 16.6 ? 99 THR C C 1 99 . C ATOM 2463 O O . THR C 1 99 ? 102.253 31.061 40.447 1.0 16.45 ? 99 THR C O 1 99 . C ATOM 2464 C CB . THR C 1 99 ? 102.685 27.554 40.450 1.0 16.0 ? 99 THR C CB 1 99 . C ATOM 2465 O OG1 . THR C 1 99 ? 104.049 27.883 40.761 1.0 17.64 ? 99 THR C OG1 1 99 . C ATOM 2466 C CG2 . THR C 1 99 ? 102.671 26.335 39.551 1.0 15.32 ? 99 THR C CG2 1 99 . C ATOM 2467 N N . ASP C 1 100 ? 101.431 29.602 41.945 1.0 17.73 ? 100 ASP C N 1 100 . C ATOM 2468 C CA . ASP C 1 100 ? 101.298 30.613 42.997 1.0 19.75 ? 100 ASP C CA 1 100 . C ATOM 2469 C C . ASP C 1 100 ? 102.676 30.927 43.569 1.0 20.87 ? 100 ASP C C 1 100 . C ATOM 2470 O O . ASP C 1 100 ? 103.468 30.007 43.804 1.0 22.28 ? 100 ASP C O 1 100 . C ATOM 2471 C CB . ASP C 1 100 ? 100.356 30.129 44.091 1.0 21.61 ? 100 ASP C CB 1 100 . C ATOM 2472 C CG . ASP C 1 100 ? 100.748 28.781 44.662 1.0 22.77 ? 100 ASP C CG 1 100 . C ATOM 2473 O OD1 . ASP C 1 100 ? 100.559 27.758 43.974 1.0 24.1 ? 100 ASP C OD1 1 100 . C ATOM 2474 O OD2 . ASP C 1 100 ? 101.264 28.745 45.800 1.0 25.33 ? 100 ASP C OD2 1 100 . C ATOM 2475 N N . ARG C 1 101 ? 102.973 32.200 43.774 1.0 21.29 ? 101 ARG C N 1 101 . C ATOM 2476 C CA . ARG C 1 101 ? 104.279 32.608 44.279 1.0 22.07 ? 101 ARG C CA 1 101 . C ATOM 2477 C C . ARG C 1 101 ? 104.246 32.974 45.754 1.0 21.51 ? 101 ARG C C 1 101 . C ATOM 2478 O O . ARG C 1 101 ? 105.228 32.840 46.483 1.0 22.72 ? 101 ARG C O 1 101 . C ATOM 2479 C CB . ARG C 1 101 ? 104.791 33.813 43.467 1.0 23.61 ? 101 ARG C CB 1 101 . C ATOM 2480 C CG . ARG C 1 101 ? 104.894 33.549 41.975 1.0 26.37 ? 101 ARG C CG 1 101 . C ATOM 2481 C CD . ARG C 1 101 ? 105.702 32.298 41.674 1.0 29.57 ? 101 ARG C CD 1 101 . C ATOM 2482 N NE . ARG C 1 101 ? 105.499 31.827 40.309 1.0 34.68 ? 101 ARG C NE 1 101 . C ATOM 2483 C CZ . ARG C 1 101 ? 105.942 30.663 39.845 1.0 37.51 ? 101 ARG C CZ 1 101 . C ATOM 2484 N NH1 . ARG C 1 101 ? 106.619 29.841 40.643 1.0 39.42 ? 101 ARG C NH1 1 101 . C ATOM 2485 N NH2 . ARG C 1 101 ? 105.711 30.316 38.585 1.0 38.75 ? 101 ARG C NH2 1 101 . C ATOM 2486 N N . TRP C 1 102 ? 103.104 33.472 46.189 1.0 21.02 ? 102 TRP C N 1 102 . C ATOM 2487 C CA . TRP C 1 102 ? 102.919 33.903 47.579 1.0 19.5 ? 102 TRP C CA 1 102 . C ATOM 2488 C C . TRP C 1 102 ? 101.429 33.878 47.892 1.0 19.33 ? 102 TRP C C 1 102 . C ATOM 2489 O O . TRP C 1 102 ? 100.601 33.809 46.976 1.0 19.2 ? 102 TRP C O 1 102 . C ATOM 2490 C CB . TRP C 1 102 ? 103.516 35.293 47.735 1.0 18.64 ? 102 TRP C CB 1 102 . C ATOM 2491 C CG . TRP C 1 102 ? 103.248 35.998 49.021 1.0 19.73 ? 102 TRP C CG 1 102 . C ATOM 2492 C CD1 . TRP C 1 102 ? 104.000 35.938 50.162 1.0 19.43 ? 102 TRP C CD1 1 102 . C ATOM 2493 C CD2 . TRP C 1 102 ? 102.160 36.888 49.310 1.0 19.49 ? 102 TRP C CD2 1 102 . C ATOM 2494 N NE1 . TRP C 1 102 ? 103.439 36.722 51.140 1.0 19.48 ? 102 TRP C NE1 1 102 . C ATOM 2495 C CE2 . TRP C 1 102 ? 102.313 37.321 50.642 1.0 20.18 ? 102 TRP C CE2 1 102 . C ATOM 2496 C CE3 . TRP C 1 102 ? 101.070 37.359 48.569 1.0 19.65 ? 102 TRP C CE3 1 102 . C ATOM 2497 C CZ2 . TRP C 1 102 ? 101.417 38.202 51.249 1.0 19.64 ? 102 TRP C CZ2 1 102 . C ATOM 2498 C CZ3 . TRP C 1 102 ? 100.186 38.234 49.172 1.0 18.88 ? 102 TRP C CZ3 1 102 . C ATOM 2499 C CH2 . TRP C 1 102 ? 100.366 38.649 50.498 1.0 18.98 ? 102 TRP C CH2 1 102 . C ATOM 2500 N N . ALA C 1 103 ? 101.085 33.872 49.168 1.0 18.97 ? 103 ALA C N 1 103 . C ATOM 2501 C CA . ALA C 1 103 ? 99.684 33.886 49.579 1.0 18.47 ? 103 ALA C CA 1 103 . C ATOM 2502 C C . ALA C 1 103 ? 99.589 34.282 51.044 1.0 18.46 ? 103 ALA C C 1 103 . C ATOM 2503 O O . ALA C 1 103 ? 100.428 33.882 51.852 1.0 19.75 ? 103 ALA C O 1 103 . C ATOM 2504 C CB . ALA C 1 103 ? 99.021 32.548 49.330 1.0 16.62 ? 103 ALA C CB 1 103 . C ATOM 2505 N N . THR C 1 104 ? 98.547 35.031 51.392 1.0 18.21 ? 104 THR C N 1 104 . C ATOM 2506 C CA . THR C 1 104 ? 98.341 35.435 52.778 1.0 18.24 ? 104 THR C CA 1 104 . C ATOM 2507 C C . THR C 1 104 ? 98.030 34.216 53.645 1.0 19.54 ? 104 THR C C 1 104 . C ATOM 2508 O O . THR C 1 104 ? 98.224 34.241 54.859 1.0 19.83 ? 104 THR C O 1 104 . C ATOM 2509 C CB . THR C 1 104 ? 97.210 36.462 52.908 1.0 16.53 ? 104 THR C CB 1 104 . C ATOM 2510 O OG1 . THR C 1 104 ? 96.069 36.011 52.162 1.0 17.94 ? 104 THR C OG1 1 104 . C ATOM 2511 C CG2 . THR C 1 104 ? 97.629 37.825 52.393 1.0 15.13 ? 104 THR C CG2 1 104 . C ATOM 2512 N N . GLY C 1 105 ? 97.525 33.152 53.030 1.0 20.6 ? 105 GLY C N 1 105 . C ATOM 2513 C CA . GLY C 1 105 ? 97.179 31.926 53.733 1.0 21.46 ? 105 GLY C CA 1 105 . C ATOM 2514 C C . GLY C 1 105 ? 95.972 32.157 54.637 1.0 22.55 ? 105 GLY C C 1 105 . C ATOM 2515 O O . GLY C 1 105 ? 95.913 31.648 55.752 1.0 23.76 ? 105 GLY C O 1 105 . C ATOM 2516 N N . THR C 1 106 ? 95.010 32.931 54.141 1.0 23.43 ? 106 THR C N 1 106 . C ATOM 2517 C CA . THR C 1 106 ? 93.818 33.271 54.901 1.0 23.65 ? 106 THR C CA 1 106 . C ATOM 2518 C C . THR C 1 106 ? 92.574 32.598 54.340 1.0 25.5 ? 106 THR C C 1 106 . C ATOM 2519 O O . THR C 1 106 ? 91.469 33.125 54.520 1.0 26.21 ? 106 THR C O 1 106 . C ATOM 2520 C CB . THR C 1 106 ? 93.568 34.799 54.886 1.0 22.36 ? 106 THR C CB 1 106 . C ATOM 2521 O OG1 . THR C 1 106 ? 93.681 35.270 53.537 1.0 21.5 ? 106 THR C OG1 1 106 . C ATOM 2522 C CG2 . THR C 1 106 ? 94.552 35.536 55.768 1.0 21.25 ? 106 THR C CG2 1 106 . C ATOM 2523 N N . HIS C 1 107 ? 92.739 31.476 53.658 1.0 26.88 ? 107 HIS C N 1 107 . C ATOM 2524 C CA . HIS C 1 107 ? 91.616 30.768 53.068 1.0 30.64 ? 107 HIS C CA 1 107 . C ATOM 2525 C C . HIS C 1 107 ? 90.805 30.018 54.119 1.0 33.49 ? 107 HIS C C 1 107 . C ATOM 2526 O O . HIS C 1 107 ? 91.302 29.649 55.180 1.0 33.19 ? 107 HIS C O 1 107 . C ATOM 2527 C CB . HIS C 1 107 ? 92.063 29.820 51.959 1.0 30.49 ? 107 HIS C CB 1 107 . C ATOM 2528 C CG . HIS C 1 107 ? 93.196 28.930 52.368 1.0 33.64 ? 107 HIS C CG 1 107 . C ATOM 2529 N ND1 . HIS C 1 107 ? 93.036 27.591 52.637 1.0 35.96 ? 107 HIS C ND1 1 107 . C ATOM 2530 C CD2 . HIS C 1 107 ? 94.506 29.208 52.584 1.0 35.04 ? 107 HIS C CD2 1 107 . C ATOM 2531 C CE1 . HIS C 1 107 ? 94.202 27.073 52.983 1.0 37.15 ? 107 HIS C CE1 1 107 . C ATOM 2532 N NE2 . HIS C 1 107 ? 95.111 28.036 52.962 1.0 36.28 ? 107 HIS C NE2 1 107 . C ATOM 2533 N N . THR C 1 108 ? 89.535 29.801 53.792 1.0 36.64 ? 108 THR C N 1 108 . C ATOM 2534 C CA . THR C 1 108 ? 88.611 29.122 54.698 1.0 40.38 ? 108 THR C CA 1 108 . C ATOM 2535 C C . THR C 1 108 ? 87.854 28.021 53.978 1.0 43.52 ? 108 THR C C 1 108 . C ATOM 2536 O O . THR C 1 108 ? 87.732 28.056 52.747 1.0 44.82 ? 108 THR C O 1 108 . C ATOM 2537 C CB . THR C 1 108 ? 87.627 30.153 55.291 1.0 39.83 ? 108 THR C CB 1 108 . C ATOM 2538 O OG1 . THR C 1 108 ? 86.694 29.492 56.144 1.0 41.05 ? 108 THR C OG1 1 108 . C ATOM 2539 C CG2 . THR C 1 108 ? 86.906 30.902 54.183 1.0 36.37 ? 108 THR C CG2 1 108 . C ATOM 2540 N N . GLY C 1 109 ? 87.358 27.035 54.720 1.0 46.11 ? 109 GLY C N 1 109 . C ATOM 2541 C CA . GLY C 1 109 ? 86.632 25.921 54.119 1.0 48.87 ? 109 GLY C CA 1 109 . C ATOM 2542 C C . GLY C 1 109 ? 85.342 25.590 54.846 1.0 50.27 ? 109 GLY C C 1 109 . C ATOM 2543 O O . GLY C 1 109 ? 85.169 26.018 56.009 1.0 51.23 ? 109 GLY C O 1 109 . C ATOM 2544 O OXT . GLY C 1 109 ? 84.460 24.932 54.235 1.0 51.57 ? 109 GLY C OXT 1 109 . C ATOM 2545 N N . ASP D 1 1 ? 78.141 47.355 34.768 1.0 21.74 ? 1 ASP D N 1 1 . D ATOM 2546 C CA . ASP D 1 1 ? 77.053 47.462 35.786 1.0 21.23 ? 1 ASP D CA 1 1 . D ATOM 2547 C C . ASP D 1 1 ? 75.729 46.997 35.190 1.0 19.01 ? 1 ASP D C 1 1 . D ATOM 2548 O O . ASP D 1 1 ? 75.523 47.110 33.981 1.0 18.09 ? 1 ASP D O 1 1 . D ATOM 2549 C CB . ASP D 1 1 ? 76.945 48.891 36.311 1.0 26.4 ? 1 ASP D CB 1 1 . D ATOM 2550 C CG . ASP D 1 1 ? 76.430 48.972 37.734 1.0 30.41 ? 1 ASP D CG 1 1 . D ATOM 2551 O OD1 . ASP D 1 1 ? 76.539 47.965 38.472 1.0 31.95 ? 1 ASP D OD1 1 1 . D ATOM 2552 O OD2 . ASP D 1 1 ? 75.932 50.050 38.137 1.0 32.59 ? 1 ASP D OD2 1 1 . D ATOM 2553 N N . ASN D 1 2 ? 74.842 46.479 36.030 1.0 16.51 ? 2 ASN D N 1 2 . D ATOM 2554 C CA . ASN D 1 2 ? 73.549 45.991 35.582 1.0 14.77 ? 2 ASN D CA 1 2 . D ATOM 2555 C C . ASN D 1 2 ? 72.419 46.967 35.875 1.0 13.32 ? 2 ASN D C 1 2 . D ATOM 2556 O O . ASN D 1 2 ? 71.250 46.666 35.608 1.0 12.84 ? 2 ASN D O 1 2 . D ATOM 2557 C CB . ASN D 1 2 ? 73.244 44.632 36.216 1.0 15.41 ? 2 ASN D CB 1 2 . D ATOM 2558 C CG . ASN D 1 2 ? 73.131 44.670 37.721 1.0 17.38 ? 2 ASN D CG 1 2 . D ATOM 2559 O OD1 . ASN D 1 2 ? 73.799 45.445 38.412 1.0 17.31 ? 2 ASN D OD1 1 2 . D ATOM 2560 N ND2 . ASN D 1 2 ? 72.273 43.809 38.268 1.0 18.14 ? 2 ASN D ND2 1 2 . D ATOM 2561 N N . ILE D 1 3 ? 72.736 48.132 36.428 1.0 12.17 ? 3 ILE D N 1 3 . D ATOM 2562 C CA . ILE D 1 3 ? 71.743 49.123 36.782 1.0 11.55 ? 3 ILE D CA 1 3 . D ATOM 2563 C C . ILE D 1 3 ? 72.003 50.488 36.144 1.0 11.15 ? 3 ILE D C 1 3 . D ATOM 2564 O O . ILE D 1 3 ? 73.118 50.995 36.167 1.0 11.59 ? 3 ILE D O 1 3 . D ATOM 2565 C CB . ILE D 1 3 ? 71.674 49.364 38.311 1.0 10.9 ? 3 ILE D CB 1 3 . D ATOM 2566 C CG1 . ILE D 1 3 ? 71.430 48.072 39.080 1.0 11.47 ? 3 ILE D CG1 1 3 . D ATOM 2567 C CG2 . ILE D 1 3 ? 70.575 50.375 38.624 1.0 10.48 ? 3 ILE D CG2 1 3 . D ATOM 2568 C CD1 . ILE D 1 3 ? 71.612 48.189 40.575 1.0 11.38 ? 3 ILE D CD1 1 3 . D ATOM 2569 N N . LEU D 1 4 ? 70.945 51.078 35.603 1.0 10.6 ? 4 LEU D N 1 4 . D ATOM 2570 C CA . LEU D 1 4 ? 71.012 52.431 35.046 1.0 10.01 ? 4 LEU D CA 1 4 . D ATOM 2571 C C . LEU D 1 4 ? 70.102 53.300 35.931 1.0 10.22 ? 4 LEU D C 1 4 . D ATOM 2572 O O . LEU D 1 4 ? 68.912 52.988 36.041 1.0 10.67 ? 4 LEU D O 1 4 . D ATOM 2573 C CB . LEU D 1 4 ? 70.562 52.478 33.599 1.0 9.44 ? 4 LEU D CB 1 4 . D ATOM 2574 C CG . LEU D 1 4 ? 70.629 53.838 32.893 1.0 8.75 ? 4 LEU D CG 1 4 . D ATOM 2575 C CD1 . LEU D 1 4 ? 72.077 54.282 32.717 1.0 9.57 ? 4 LEU D CD1 1 4 . D ATOM 2576 C CD2 . LEU D 1 4 ? 69.923 53.801 31.550 1.0 8.16 ? 4 LEU D CD2 1 4 . D ATOM 2577 N N . TYR D 1 5 ? 70.664 54.281 36.612 1.0 9.95 ? 5 TYR D N 1 5 . D ATOM 2578 C CA . TYR D 1 5 ? 69.902 55.127 37.515 1.0 9.3 ? 5 TYR D CA 1 5 . D ATOM 2579 C C . TYR D 1 5 ? 69.271 56.327 36.825 1.0 9.67 ? 5 TYR D C 1 5 . D ATOM 2580 O O . TYR D 1 5 ? 69.806 56.845 35.845 1.0 9.72 ? 5 TYR D O 1 5 . D ATOM 2581 C CB . TYR D 1 5 ? 70.814 55.650 38.643 1.0 9.32 ? 5 TYR D CB 1 5 . D ATOM 2582 C CG . TYR D 1 5 ? 71.390 54.571 39.530 1.0 8.44 ? 5 TYR D CG 1 5 . D ATOM 2583 C CD1 . TYR D 1 5 ? 72.589 53.951 39.205 1.0 8.52 ? 5 TYR D CD1 1 5 . D ATOM 2584 C CD2 . TYR D 1 5 ? 70.738 54.170 40.688 1.0 8.03 ? 5 TYR D CD2 1 5 . D ATOM 2585 C CE1 . TYR D 1 5 ? 73.112 52.947 40.000 1.0 8.76 ? 5 TYR D CE1 1 5 . D ATOM 2586 C CE2 . TYR D 1 5 ? 71.262 53.175 41.495 1.0 8.59 ? 5 TYR D CE2 1 5 . D ATOM 2587 C CZ . TYR D 1 5 ? 72.449 52.569 41.147 1.0 8.87 ? 5 TYR D CZ 1 5 . D ATOM 2588 O OH . TYR D 1 5 ? 72.977 51.575 41.942 1.0 8.95 ? 5 TYR D OH 1 5 . D ATOM 2589 N N . SER D 1 6 ? 68.151 56.802 37.382 1.0 10.12 ? 6 SER D N 1 6 . D ATOM 2590 C CA . SER D 1 6 ? 67.505 57.989 36.804 1.0 11.44 ? 6 SER D CA 1 6 . D ATOM 2591 C C . SER D 1 6 ? 68.509 59.143 36.886 1.0 12.34 ? 6 SER D C 1 6 . D ATOM 2592 O O . SER D 1 6 ? 69.221 59.266 37.883 1.0 12.83 ? 6 SER D O 1 6 . D ATOM 2593 C CB . SER D 1 6 ? 66.192 58.319 37.459 1.0 11.24 ? 6 SER D CB 1 6 . D ATOM 2594 O OG . SER D 1 6 ? 66.239 58.327 38.863 1.0 12.11 ? 6 SER D OG 1 6 . D ATOM 2595 N N . GLY D 1 7 ? 68.633 59.897 35.803 1.0 12.63 ? 7 GLY D N 1 7 . D ATOM 2596 C CA . GLY D 1 7 ? 69.594 60.989 35.742 1.0 13.07 ? 7 GLY D CA 1 7 . D ATOM 2597 C C . GLY D 1 7 ? 70.871 60.546 35.035 1.0 14.19 ? 7 GLY D C 1 7 . D ATOM 2598 O O . GLY D 1 7 ? 71.786 61.348 34.847 1.0 15.02 ? 7 GLY D O 1 7 . D ATOM 2599 N N . GLU D 1 8 ? 70.945 59.272 34.651 1.0 14.38 ? 8 GLU D N 1 8 . D ATOM 2600 C CA . GLU D 1 8 ? 72.113 58.739 33.967 1.0 13.71 ? 8 GLU D CA 1 8 . D ATOM 2601 C C . GLU D 1 8 ? 71.781 58.397 32.514 1.0 13.64 ? 8 GLU D C 1 8 . D ATOM 2602 O O . GLU D 1 8 ? 70.623 58.179 32.161 1.0 13.68 ? 8 GLU D O 1 8 . D ATOM 2603 C CB . GLU D 1 8 ? 72.623 57.461 34.642 1.0 13.66 ? 8 GLU D CB 1 8 . D ATOM 2604 C CG . GLU D 1 8 ? 73.006 57.587 36.088 1.0 16.71 ? 8 GLU D CG 1 8 . D ATOM 2605 C CD . GLU D 1 8 ? 73.779 56.401 36.632 1.0 19.4 ? 8 GLU D CD 1 8 . D ATOM 2606 O OE1 . GLU D 1 8 ? 73.548 55.255 36.194 1.0 18.31 ? 8 GLU D OE1 1 8 . D ATOM 2607 O OE2 . GLU D 1 8 ? 74.633 56.624 37.524 1.0 20.37 ? 8 GLU D OE2 1 8 . D ATOM 2608 N N . THR D 1 9 ? 72.808 58.346 31.668 1.0 13.28 ? 9 THR D N 1 9 . D ATOM 2609 C CA . THR D 1 9 ? 72.645 57.988 30.282 1.0 13.53 ? 9 THR D CA 1 9 . D ATOM 2610 C C . THR D 1 9 ? 73.722 56.972 29.852 1.0 14.28 ? 9 THR D C 1 9 . D ATOM 2611 O O . THR D 1 9 ? 74.791 56.891 30.434 1.0 15.58 ? 9 THR D O 1 9 . D ATOM 2612 C CB . THR D 1 9 ? 72.791 59.161 29.293 1.0 13.33 ? 9 THR D CB 1 9 . D ATOM 2613 O OG1 . THR D 1 9 ? 74.183 59.514 29.235 1.0 15.25 ? 9 THR D OG1 1 9 . D ATOM 2614 C CG2 . THR D 1 9 ? 71.971 60.369 29.653 1.0 13.23 ? 9 THR D CG2 1 9 . D ATOM 2615 N N . LEU D 1 10 ? 73.397 56.242 28.796 1.0 14.8 ? 10 LEU D N 1 10 . D ATOM 2616 C CA . LEU D 1 10 ? 74.339 55.315 28.179 1.0 14.38 ? 10 LEU D CA 1 10 . D ATOM 2617 C C . LEU D 1 10 ? 74.689 55.948 26.811 1.0 15.21 ? 10 LEU D C 1 10 . D ATOM 2618 O O . LEU D 1 10 ? 73.772 56.220 26.035 1.0 15.86 ? 10 LEU D O 1 10 . D ATOM 2619 C CB . LEU D 1 10 ? 73.789 53.931 27.958 1.0 12.2 ? 10 LEU D CB 1 10 . D ATOM 2620 C CG . LEU D 1 10 ? 73.636 52.977 29.136 1.0 11.52 ? 10 LEU D CG 1 10 . D ATOM 2621 C CD1 . LEU D 1 10 ? 73.114 51.625 28.658 1.0 9.66 ? 10 LEU D CD1 1 10 . D ATOM 2622 C CD2 . LEU D 1 10 ? 74.942 52.799 29.893 1.0 11.34 ? 10 LEU D CD2 1 10 . D ATOM 2623 N N . SER D 1 11 ? 75.951 56.277 26.629 1.0 15.7 ? 11 SER D N 1 11 . D ATOM 2624 C CA . SER D 1 11 ? 76.377 56.862 25.351 1.0 15.96 ? 11 SER D CA 1 11 . D ATOM 2625 C C . SER D 1 11 ? 76.552 55.709 24.361 1.0 15.34 ? 11 SER D C 1 11 . D ATOM 2626 O O . SER D 1 11 ? 76.486 54.547 24.766 1.0 14.18 ? 11 SER D O 1 11 . D ATOM 2627 C CB . SER D 1 11 ? 77.665 57.646 25.505 1.0 18.99 ? 11 SER D CB 1 11 . D ATOM 2628 O OG . SER D 1 11 ? 77.549 58.629 26.532 1.0 24.18 ? 11 SER D OG 1 11 . D ATOM 2629 N N . THR D 1 12 ? 76.756 56.032 23.102 1.0 15.62 ? 12 THR D N 1 12 . D ATOM 2630 C CA . THR D 1 12 ? 76.917 55.022 22.064 1.0 16.28 ? 12 THR D CA 1 12 . D ATOM 2631 C C . THR D 1 12 ? 77.966 53.987 22.412 1.0 15.37 ? 12 THR D C 1 12 . D ATOM 2632 O O . THR D 1 12 ? 79.081 54.328 22.813 1.0 15.41 ? 12 THR D O 1 12 . D ATOM 2633 C CB . THR D 1 12 ? 77.331 55.702 20.735 1.0 18.42 ? 12 THR D CB 1 12 . D ATOM 2634 O OG1 . THR D 1 12 ? 76.657 56.965 20.651 1.0 21.81 ? 12 THR D OG1 1 12 . D ATOM 2635 C CG2 . THR D 1 12 ? 76.937 54.831 19.563 1.0 20.95 ? 12 THR D CG2 1 12 . D ATOM 2636 N N . GLY D 1 13 ? 77.619 52.710 22.277 1.0 15.01 ? 13 GLY D N 1 13 . D ATOM 2637 C CA . GLY D 1 13 ? 78.544 51.622 22.548 1.0 14.86 ? 13 GLY D CA 1 13 . D ATOM 2638 C C . GLY D 1 13 ? 78.617 51.244 24.011 1.0 15.13 ? 13 GLY D C 1 13 . D ATOM 2639 O O . GLY D 1 13 ? 79.330 50.304 24.382 1.0 16.06 ? 13 GLY D O 1 13 . D ATOM 2640 N N . GLU D 1 14 ? 77.914 51.984 24.862 1.0 15.02 ? 14 GLU D N 1 14 . D ATOM 2641 C CA . GLU D 1 14 ? 77.886 51.693 26.295 1.0 14.31 ? 14 GLU D CA 1 14 . D ATOM 2642 C C . GLU D 1 14 ? 76.739 50.721 26.559 1.0 13.29 ? 14 GLU D C 1 14 . D ATOM 2643 O O . GLU D 1 14 ? 75.789 50.661 25.777 1.0 12.76 ? 14 GLU D O 1 14 . D ATOM 2644 C CB . GLU D 1 14 ? 77.787 52.951 27.135 1.0 13.9 ? 14 GLU D CB 1 14 . D ATOM 2645 C CG . GLU D 1 14 ? 79.014 53.852 26.992 1.0 16.64 ? 14 GLU D CG 1 14 . D ATOM 2646 C CD . GLU D 1 14 ? 79.111 54.867 28.107 1.0 19.66 ? 14 GLU D CD 1 14 . D ATOM 2647 O OE1 . GLU D 1 14 ? 78.056 55.329 28.586 1.0 21.44 ? 14 GLU D OE1 1 14 . D ATOM 2648 O OE2 . GLU D 1 14 ? 80.245 55.203 28.512 1.0 22.02 ? 14 GLU D OE2 1 14 . D ATOM 2649 N N . PHE D 1 15 ? 76.866 49.935 27.624 1.0 12.36 ? 15 PHE D N 1 15 . D ATOM 2650 C CA . PHE D 1 15 ? 75.886 48.910 27.918 1.0 11.05 ? 15 PHE D CA 1 15 . D ATOM 2651 C C . PHE D 1 15 ? 75.743 48.586 29.396 1.0 10.63 ? 15 PHE D C 1 15 . D ATOM 2652 O O . PHE D 1 15 ? 76.509 49.009 30.253 1.0 10.64 ? 15 PHE D O 1 15 . D ATOM 2653 C CB . PHE D 1 15 ? 76.361 47.592 27.210 1.0 10.49 ? 15 PHE D CB 1 15 . D ATOM 2654 C CG . PHE D 1 15 ? 77.795 47.272 27.550 1.0 11.17 ? 15 PHE D CG 1 15 . D ATOM 2655 C CD1 . PHE D 1 15 ? 78.108 46.521 28.669 1.0 11.69 ? 15 PHE D CD1 1 15 . D ATOM 2656 C CD2 . PHE D 1 15 ? 78.830 47.762 26.775 1.0 11.36 ? 15 PHE D CD2 1 15 . D ATOM 2657 C CE1 . PHE D 1 15 ? 79.424 46.277 29.013 1.0 13.07 ? 15 PHE D CE1 1 15 . D ATOM 2658 C CE2 . PHE D 1 15 ? 80.148 47.522 27.108 1.0 12.4 ? 15 PHE D CE2 1 15 . D ATOM 2659 C CZ . PHE D 1 15 ? 80.447 46.777 28.232 1.0 12.64 ? 15 PHE D CZ 1 15 . D ATOM 2660 N N . LEU D 1 16 ? 74.714 47.793 29.674 1.0 9.71 ? 16 LEU D N 1 16 . D ATOM 2661 C CA . LEU D 1 16 ? 74.489 47.235 31.005 1.0 9.31 ? 16 LEU D CA 1 16 . D ATOM 2662 C C . LEU D 1 16 ? 74.862 45.745 30.837 1.0 9.7 ? 16 LEU D C 1 16 . D ATOM 2663 O O . LEU D 1 16 ? 74.573 45.226 29.747 1.0 9.66 ? 16 LEU D O 1 16 . D ATOM 2664 C CB . LEU D 1 16 ? 73.046 47.340 31.447 1.0 9.11 ? 16 LEU D CB 1 16 . D ATOM 2665 C CG . LEU D 1 16 ? 72.471 48.718 31.759 1.0 9.08 ? 16 LEU D CG 1 16 . D ATOM 2666 C CD1 . LEU D 1 16 ? 71.036 48.592 32.251 1.0 7.94 ? 16 LEU D CD1 1 16 . D ATOM 2667 C CD2 . LEU D 1 16 ? 73.333 49.460 32.772 1.0 7.88 ? 16 LEU D CD2 1 16 . D ATOM 2668 N N . ASN D 1 17 ? 75.508 45.141 31.810 1.0 10.44 ? 17 ASN D N 1 17 . D ATOM 2669 C CA . ASN D 1 17 ? 75.873 43.735 31.657 1.0 10.77 ? 17 ASN D CA 1 17 . D ATOM 2670 C C . ASN D 1 17 ? 75.579 42.924 32.911 1.0 11.44 ? 17 ASN D C 1 17 . D ATOM 2671 O O . ASN D 1 17 ? 75.557 43.423 34.030 1.0 10.9 ? 17 ASN D O 1 17 . D ATOM 2672 C CB . ASN D 1 17 ? 77.341 43.582 31.258 1.0 10.53 ? 17 ASN D CB 1 17 . D ATOM 2673 C CG . ASN D 1 17 ? 78.278 43.889 32.408 1.0 10.77 ? 17 ASN D CG 1 17 . D ATOM 2674 O OD1 . ASN D 1 17 ? 78.399 45.039 32.821 1.0 11.82 ? 17 ASN D OD1 1 17 . D ATOM 2675 N ND2 . ASN D 1 17 ? 78.908 42.853 32.949 1.0 11.74 ? 17 ASN D ND2 1 17 . D ATOM 2676 N N . TYR D 1 18 ? 75.325 41.638 32.697 1.0 12.34 ? 18 TYR D N 1 18 . D ATOM 2677 C CA . TYR D 1 18 ? 75.077 40.683 33.748 1.0 12.99 ? 18 TYR D CA 1 18 . D ATOM 2678 C C . TYR D 1 18 ? 75.286 39.264 33.206 1.0 13.25 ? 18 TYR D C 1 18 . D ATOM 2679 O O . TYR D 1 18 ? 74.518 38.813 32.351 1.0 13.78 ? 18 TYR D O 1 18 . D ATOM 2680 C CB . TYR D 1 18 ? 73.669 40.803 34.354 1.0 14.03 ? 18 TYR D CB 1 18 . D ATOM 2681 C CG . TYR D 1 18 ? 73.573 39.903 35.581 1.0 15.8 ? 18 TYR D CG 1 18 . D ATOM 2682 C CD1 . TYR D 1 18 ? 73.229 38.568 35.456 1.0 16.35 ? 18 TYR D CD1 1 18 . D ATOM 2683 C CD2 . TYR D 1 18 ? 73.969 40.378 36.823 1.0 17.21 ? 18 TYR D CD2 1 18 . D ATOM 2684 C CE1 . TYR D 1 18 ? 73.223 37.734 36.556 1.0 18.41 ? 18 TYR D CE1 1 18 . D ATOM 2685 C CE2 . TYR D 1 18 ? 73.952 39.553 37.934 1.0 18.46 ? 18 TYR D CE2 1 18 . D ATOM 2686 C CZ . TYR D 1 18 ? 73.582 38.235 37.794 1.0 19.16 ? 18 TYR D CZ 1 18 . D ATOM 2687 O OH . TYR D 1 18 ? 73.558 37.407 38.895 1.0 20.91 ? 18 TYR D OH 1 18 . D ATOM 2688 N N . GLY D 1 19 ? 76.316 38.592 33.709 1.0 12.44 ? 19 GLY D N 1 19 . D ATOM 2689 C CA . GLY D 1 19 ? 76.612 37.237 33.203 1.0 11.64 ? 19 GLY D CA 1 19 . D ATOM 2690 C C . GLY D 1 19 ? 76.863 37.341 31.692 1.0 11.34 ? 19 GLY D C 1 19 . D ATOM 2691 O O . GLY D 1 19 ? 77.694 38.136 31.247 1.0 11.02 ? 19 GLY D O 1 19 . D ATOM 2692 N N . SER D 1 20 ? 76.085 36.601 30.915 1.0 10.86 ? 20 SER D N 1 20 . D ATOM 2693 C CA . SER D 1 20 ? 76.207 36.604 29.466 1.0 10.4 ? 20 SER D CA 1 20 . D ATOM 2694 C C . SER D 1 20 ? 75.236 37.563 28.796 1.0 10.88 ? 20 SER D C 1 20 . D ATOM 2695 O O . SER D 1 20 ? 75.194 37.652 27.562 1.0 11.59 ? 20 SER D O 1 20 . D ATOM 2696 C CB . SER D 1 20 ? 75.957 35.184 28.925 1.0 10.19 ? 20 SER D CB 1 20 . D ATOM 2697 O OG . SER D 1 20 ? 74.705 34.699 29.398 1.0 10.52 ? 20 SER D OG 1 20 . D ATOM 2698 N N . PHE D 1 21 ? 74.437 38.270 29.589 1.0 10.85 ? 21 PHE D N 1 21 . D ATOM 2699 C CA . PHE D 1 21 ? 73.466 39.219 29.066 1.0 10.0 ? 21 PHE D CA 1 21 . D ATOM 2700 C C . PHE D 1 21 ? 74.084 40.601 28.889 1.0 9.99 ? 21 PHE D C 1 21 . D ATOM 2701 O O . PHE D 1 21 ? 74.732 41.124 29.798 1.0 9.75 ? 21 PHE D O 1 21 . D ATOM 2702 C CB . PHE D 1 21 ? 72.253 39.337 29.997 1.0 9.37 ? 21 PHE D CB 1 21 . D ATOM 2703 C CG . PHE D 1 21 ? 71.710 38.030 30.490 1.0 9.09 ? 21 PHE D CG 1 21 . D ATOM 2704 C CD1 . PHE D 1 21 ? 71.649 36.919 29.668 1.0 8.19 ? 21 PHE D CD1 1 21 . D ATOM 2705 C CD2 . PHE D 1 21 ? 71.261 37.911 31.796 1.0 9.34 ? 21 PHE D CD2 1 21 . D ATOM 2706 C CE1 . PHE D 1 21 ? 71.164 35.714 30.136 1.0 8.62 ? 21 PHE D CE1 1 21 . D ATOM 2707 C CE2 . PHE D 1 21 ? 70.761 36.711 32.268 1.0 9.73 ? 21 PHE D CE2 1 21 . D ATOM 2708 C CZ . PHE D 1 21 ? 70.711 35.609 31.431 1.0 8.69 ? 21 PHE D CZ 1 21 . D ATOM 2709 N N . VAL D 1 22 ? 73.911 41.177 27.703 1.0 10.23 ? 22 VAL D N 1 22 . D ATOM 2710 C CA . VAL D 1 22 ? 74.438 42.501 27.399 1.0 10.25 ? 22 VAL D CA 1 22 . D ATOM 2711 C C . VAL D 1 22 ? 73.333 43.373 26.793 1.0 10.57 ? 22 VAL D C 1 22 . D ATOM 2712 O O . VAL D 1 22 ? 72.706 43.001 25.803 1.0 10.74 ? 22 VAL D O 1 22 . D ATOM 2713 C CB . VAL D 1 22 ? 75.634 42.461 26.436 1.0 10.66 ? 22 VAL D CB 1 22 . D ATOM 2714 C CG1 . VAL D 1 22 ? 76.088 43.875 26.071 1.0 9.97 ? 22 VAL D CG1 1 22 . D ATOM 2715 C CG2 . VAL D 1 22 ? 76.812 41.690 27.028 1.0 10.72 ? 22 VAL D CG2 1 22 . D ATOM 2716 N N . PHE D 1 23 ? 73.099 44.510 27.413 1.0 10.4 ? 23 PHE D N 1 23 . D ATOM 2717 C CA . PHE D 1 23 ? 72.068 45.464 26.925 1.0 10.06 ? 23 PHE D CA 1 23 . D ATOM 2718 C C . PHE D 1 23 ? 72.837 46.683 26.417 1.0 10.55 ? 23 PHE D C 1 23 . D ATOM 2719 O O . PHE D 1 23 ? 73.313 47.490 27.223 1.0 10.56 ? 23 PHE D O 1 23 . D ATOM 2720 C CB . PHE D 1 23 ? 71.163 45.806 28.085 1.0 9.85 ? 23 PHE D CB 1 23 . D ATOM 2721 C CG . PHE D 1 23 ? 69.914 46.571 27.801 1.0 10.25 ? 23 PHE D CG 1 23 . D ATOM 2722 C CD1 . PHE D 1 23 ? 68.951 46.075 26.937 1.0 10.67 ? 23 PHE D CD1 1 23 . D ATOM 2723 C CD2 . PHE D 1 23 ? 69.675 47.783 28.430 1.0 10.56 ? 23 PHE D CD2 1 23 . D ATOM 2724 C CE1 . PHE D 1 23 ? 67.785 46.774 26.694 1.0 11.72 ? 23 PHE D CE1 1 23 . D ATOM 2725 C CE2 . PHE D 1 23 ? 68.505 48.484 28.205 1.0 11.47 ? 23 PHE D CE2 1 23 . D ATOM 2726 C CZ . PHE D 1 23 ? 67.558 47.974 27.340 1.0 12.06 ? 23 PHE D CZ 1 23 . D ATOM 2727 N N . ILE D 1 24 ? 73.044 46.766 25.104 1.0 10.5 ? 24 ILE D N 1 24 . D ATOM 2728 C CA . ILE D 1 24 ? 73.884 47.819 24.556 1.0 10.47 ? 24 ILE D CA 1 24 . D ATOM 2729 C C . ILE D 1 24 ? 73.210 48.826 23.662 1.0 11.15 ? 24 ILE D C 1 24 . D ATOM 2730 O O . ILE D 1 24 ? 72.403 48.510 22.792 1.0 11.14 ? 24 ILE D O 1 24 . D ATOM 2731 C CB . ILE D 1 24 ? 75.076 47.163 23.807 1.0 9.81 ? 24 ILE D CB 1 24 . D ATOM 2732 C CG1 . ILE D 1 24 ? 76.025 48.209 23.235 1.0 9.65 ? 24 ILE D CG1 1 24 . D ATOM 2733 C CG2 . ILE D 1 24 ? 74.569 46.233 22.716 1.0 9.6 ? 24 ILE D CG2 1 24 . D ATOM 2734 C CD1 . ILE D 1 24 ? 77.275 47.611 22.612 1.0 9.45 ? 24 ILE D CD1 1 24 . D ATOM 2735 N N . MET D 1 25 ? 73.572 50.096 23.869 1.0 11.29 ? 25 MET D N 1 25 . D ATOM 2736 C CA . MET D 1 25 ? 73.082 51.180 23.000 1.0 12.08 ? 25 MET D CA 1 25 . D ATOM 2737 C C . MET D 1 25 ? 74.073 51.264 21.826 1.0 12.41 ? 25 MET D C 1 25 . D ATOM 2738 O O . MET D 1 25 ? 75.124 51.890 21.932 1.0 11.83 ? 25 MET D O 1 25 . D ATOM 2739 C CB . MET D 1 25 ? 73.006 52.477 23.770 1.0 12.65 ? 25 MET D CB 1 25 . D ATOM 2740 C CG . MET D 1 25 ? 72.711 53.734 22.991 1.0 14.5 ? 25 MET D CG 1 25 . D ATOM 2741 S SD . MET D 1 25 ? 70.989 53.966 22.534 1.0 15.01 ? 25 MET D SD 1 25 . D ATOM 2742 C CE . MET D 1 25 ? 70.849 52.912 21.095 1.0 12.3 ? 25 MET D CE 1 25 . D ATOM 2743 N N . GLN D 1 26 ? 73.771 50.554 20.745 1.0 12.97 ? 26 GLN D N 1 26 . D ATOM 2744 C CA . GLN D 1 26 ? 74.625 50.470 19.586 1.0 14.1 ? 26 GLN D CA 1 26 . D ATOM 2745 C C . GLN D 1 26 ? 74.785 51.742 18.776 1.0 15.76 ? 26 GLN D C 1 26 . D ATOM 2746 O O . GLN D 1 26 ? 73.973 52.662 18.804 1.0 15.19 ? 26 GLN D O 1 26 . D ATOM 2747 C CB . GLN D 1 26 ? 74.134 49.343 18.652 1.0 12.79 ? 26 GLN D CB 1 26 . D ATOM 2748 C CG . GLN D 1 26 ? 74.147 47.982 19.321 1.0 12.6 ? 26 GLN D CG 1 26 . D ATOM 2749 C CD . GLN D 1 26 ? 73.849 46.842 18.373 1.0 14.06 ? 26 GLN D CD 1 26 . D ATOM 2750 O OE1 . GLN D 1 26 ? 74.051 45.671 18.723 1.0 14.62 ? 26 GLN D OE1 1 26 . D ATOM 2751 N NE2 . GLN D 1 26 ? 73.366 47.163 17.179 1.0 12.14 ? 26 GLN D NE2 1 26 . D ATOM 2752 N N . GLU D 1 27 ? 75.849 51.766 17.958 1.0 17.76 ? 27 GLU D N 1 27 . D ATOM 2753 C CA . GLU D 1 27 ? 76.167 52.892 17.106 1.0 19.6 ? 27 GLU D CA 1 27 . D ATOM 2754 C C . GLU D 1 27 ? 75.158 53.106 15.989 1.0 18.65 ? 27 GLU D C 1 27 . D ATOM 2755 O O . GLU D 1 27 ? 74.938 54.240 15.547 1.0 17.83 ? 27 GLU D O 1 27 . D ATOM 2756 C CB . GLU D 1 27 ? 77.575 52.761 16.506 1.0 24.63 ? 27 GLU D CB 1 27 . D ATOM 2757 C CG . GLU D 1 27 ? 78.185 54.120 16.165 1.0 32.63 ? 27 GLU D CG 1 27 . D ATOM 2758 C CD . GLU D 1 27 ? 78.677 54.204 14.738 1.0 36.75 ? 27 GLU D CD 1 27 . D ATOM 2759 O OE1 . GLU D 1 27 ? 79.268 53.221 14.234 1.0 39.24 ? 27 GLU D OE1 1 27 . D ATOM 2760 O OE2 . GLU D 1 27 ? 78.458 55.260 14.094 1.0 39.65 ? 27 GLU D OE2 1 27 . D ATOM 2761 N N . ASP D 1 28 ? 74.497 52.034 15.560 1.0 17.3 ? 28 ASP D N 1 28 . D ATOM 2762 C CA . ASP D 1 28 ? 73.483 52.108 14.521 1.0 16.96 ? 28 ASP D CA 1 28 . D ATOM 2763 C C . ASP D 1 28 ? 72.134 52.538 15.081 1.0 16.44 ? 28 ASP D C 1 28 . D ATOM 2764 O O . ASP D 1 28 ? 71.109 52.495 14.399 1.0 17.52 ? 28 ASP D O 1 28 . D ATOM 2765 C CB . ASP D 1 28 ? 73.365 50.779 13.783 1.0 16.43 ? 28 ASP D CB 1 28 . D ATOM 2766 C CG . ASP D 1 28 ? 72.814 49.643 14.608 1.0 18.48 ? 28 ASP D CG 1 28 . D ATOM 2767 O OD1 . ASP D 1 28 ? 72.544 49.822 15.816 1.0 18.63 ? 28 ASP D OD1 1 28 . D ATOM 2768 O OD2 . ASP D 1 28 ? 72.628 48.535 14.043 1.0 18.13 ? 28 ASP D OD2 1 28 . D ATOM 2769 N N . CYS D 1 29 ? 72.086 52.914 16.343 1.0 15.46 ? 29 CYS D N 1 29 . D ATOM 2770 C CA . CYS D 1 29 ? 70.940 53.366 17.063 1.0 14.78 ? 29 CYS D CA 1 29 . D ATOM 2771 C C . CYS D 1 29 ? 69.957 52.290 17.475 1.0 13.33 ? 29 CYS D C 1 29 . D ATOM 2772 O O . CYS D 1 29 ? 68.877 52.617 17.984 1.0 13.34 ? 29 CYS D O 1 29 . D ATOM 2773 C CB . CYS D 1 29 ? 70.215 54.539 16.391 1.0 15.58 ? 29 CYS D CB 1 29 . D ATOM 2774 S SG . CYS D 1 29 ? 71.110 56.097 16.528 1.0 17.23 ? 29 CYS D SG 1 29 . D ATOM 2775 N N . ASN D 1 30 ? 70.309 51.025 17.301 1.0 12.67 ? 30 ASN D N 1 30 . D ATOM 2776 C CA . ASN D 1 30 ? 69.436 49.938 17.749 1.0 12.21 ? 30 ASN D CA 1 30 . D ATOM 2777 C C . ASN D 1 30 ? 69.817 49.622 19.203 1.0 13.21 ? 30 ASN D C 1 30 . D ATOM 2778 O O . ASN D 1 30 ? 71.009 49.556 19.523 1.0 13.45 ? 30 ASN D O 1 30 . D ATOM 2779 C CB . ASN D 1 30 ? 69.578 48.708 16.877 1.0 10.46 ? 30 ASN D CB 1 30 . D ATOM 2780 C CG . ASN D 1 30 ? 68.397 47.764 16.944 1.0 10.09 ? 30 ASN D CG 1 30 . D ATOM 2781 O OD1 . ASN D 1 30 ? 67.360 48.074 17.533 1.0 10.34 ? 30 ASN D OD1 1 30 . D ATOM 2782 N ND2 . ASN D 1 30 ? 68.529 46.589 16.346 1.0 9.1 ? 30 ASN D ND2 1 30 . D ATOM 2783 N N . LEU D 1 31 ? 68.821 49.559 20.064 1.0 13.13 ? 31 LEU D N 1 31 . D ATOM 2784 C CA . LEU D 1 31 ? 69.057 49.213 21.479 1.0 12.85 ? 31 LEU D CA 1 31 . D ATOM 2785 C C . LEU D 1 31 ? 68.734 47.718 21.592 1.0 12.97 ? 31 LEU D C 1 31 . D ATOM 2786 O O . LEU D 1 31 ? 67.581 47.338 21.408 1.0 13.33 ? 31 LEU D O 1 31 . D ATOM 2787 C CB . LEU D 1 31 ? 68.180 50.044 22.384 1.0 12.51 ? 31 LEU D CB 1 31 . D ATOM 2788 C CG . LEU D 1 31 ? 68.120 49.718 23.871 1.0 12.41 ? 31 LEU D CG 1 31 . D ATOM 2789 C CD1 . LEU D 1 31 ? 69.447 49.973 24.566 1.0 10.64 ? 31 LEU D CD1 1 31 . D ATOM 2790 C CD2 . LEU D 1 31 ? 67.009 50.530 24.535 1.0 11.82 ? 31 LEU D CD2 1 31 . D ATOM 2791 N N . VAL D 1 32 ? 69.768 46.892 21.739 1.0 12.35 ? 32 VAL D N 1 32 . D ATOM 2792 C CA . VAL D 1 32 ? 69.587 45.455 21.748 1.0 11.45 ? 32 VAL D CA 1 32 . D ATOM 2793 C C . VAL D 1 32 ? 69.973 44.773 23.052 1.0 11.27 ? 32 VAL D C 1 32 . D ATOM 2794 O O . VAL D 1 32 ? 70.916 45.152 23.740 1.0 12.2 ? 32 VAL D O 1 32 . D ATOM 2795 C CB . VAL D 1 32 ? 70.438 44.797 20.621 1.0 10.99 ? 32 VAL D CB 1 32 . D ATOM 2796 C CG1 . VAL D 1 32 ? 70.019 43.349 20.410 1.0 10.08 ? 32 VAL D CG1 1 32 . D ATOM 2797 C CG2 . VAL D 1 32 ? 70.363 45.572 19.326 1.0 9.4 ? 32 VAL D CG2 1 32 . D ATOM 2798 N N . LEU D 1 33 ? 69.245 43.708 23.375 1.0 10.63 ? 33 LEU D N 1 33 . D ATOM 2799 C CA . LEU D 1 33 ? 69.560 42.872 24.531 1.0 10.2 ? 33 LEU D CA 1 33 . D ATOM 2800 C C . LEU D 1 33 ? 70.148 41.564 23.973 1.0 10.77 ? 33 LEU D C 1 33 . D ATOM 2801 O O . LEU D 1 33 ? 69.468 40.899 23.187 1.0 11.4 ? 33 LEU D O 1 33 . D ATOM 2802 C CB . LEU D 1 33 ? 68.338 42.575 25.380 1.0 8.39 ? 33 LEU D CB 1 33 . D ATOM 2803 C CG . LEU D 1 33 ? 68.501 41.495 26.458 1.0 8.81 ? 33 LEU D CG 1 33 . D ATOM 2804 C CD1 . LEU D 1 33 ? 69.476 41.942 27.538 1.0 8.27 ? 33 LEU D CD1 1 33 . D ATOM 2805 C CD2 . LEU D 1 33 ? 67.153 41.126 27.060 1.0 8.48 ? 33 LEU D CD2 1 33 . D ATOM 2806 N N . TYR D 1 34 ? 71.396 41.261 24.303 1.0 10.54 ? 34 TYR D N 1 34 . D ATOM 2807 C CA . TYR D 1 34 ? 72.021 40.053 23.792 1.0 10.44 ? 34 TYR D CA 1 34 . D ATOM 2808 C C . TYR D 1 34 ? 72.199 38.997 24.888 1.0 10.45 ? 34 TYR D C 1 34 . D ATOM 2809 O O . TYR D 1 34 ? 72.404 39.303 26.053 1.0 11.25 ? 34 TYR D O 1 34 . D ATOM 2810 C CB . TYR D 1 34 ? 73.391 40.329 23.179 1.0 10.3 ? 34 TYR D CB 1 34 . D ATOM 2811 C CG . TYR D 1 34 ? 73.411 41.094 21.884 1.0 10.58 ? 34 TYR D CG 1 34 . D ATOM 2812 C CD1 . TYR D 1 34 ? 73.246 40.445 20.667 1.0 11.07 ? 34 TYR D CD1 1 34 . D ATOM 2813 C CD2 . TYR D 1 34 ? 73.653 42.462 21.859 1.0 10.28 ? 34 TYR D CD2 1 34 . D ATOM 2814 C CE1 . TYR D 1 34 ? 73.278 41.138 19.470 1.0 10.73 ? 34 TYR D CE1 1 34 . D ATOM 2815 C CE2 . TYR D 1 34 ? 73.684 43.165 20.669 1.0 10.51 ? 34 TYR D CE2 1 34 . D ATOM 2816 C CZ . TYR D 1 34 ? 73.493 42.497 19.481 1.0 10.83 ? 34 TYR D CZ 1 34 . D ATOM 2817 O OH . TYR D 1 34 ? 73.526 43.191 18.287 1.0 11.31 ? 34 TYR D OH 1 34 . D ATOM 2818 N N . ASP D 1 35 ? 72.080 37.751 24.485 1.0 10.48 ? 35 ASP D N 1 35 . D ATOM 2819 C CA . ASP D 1 35 ? 72.353 36.601 25.351 1.0 11.3 ? 35 ASP D CA 1 35 . D ATOM 2820 C C . ASP D 1 35 ? 73.514 35.889 24.615 1.0 12.16 ? 35 ASP D C 1 35 . D ATOM 2821 O O . ASP D 1 35 ? 73.285 35.166 23.653 1.0 11.95 ? 35 ASP D O 1 35 . D ATOM 2822 C CB . ASP D 1 35 ? 71.178 35.687 25.525 1.0 13.09 ? 35 ASP D CB 1 35 . D ATOM 2823 C CG . ASP D 1 35 ? 71.425 34.556 26.509 1.0 15.4 ? 35 ASP D CG 1 35 . D ATOM 2824 O OD1 . ASP D 1 35 ? 72.557 34.430 27.025 1.0 16.07 ? 35 ASP D OD1 1 35 . D ATOM 2825 O OD2 . ASP D 1 35 ? 70.473 33.792 26.771 1.0 17.34 ? 35 ASP D OD2 1 35 . D ATOM 2826 N N . VAL D 1 36 ? 74.731 36.226 25.023 1.0 13.08 ? 36 VAL D N 1 36 . D ATOM 2827 C CA . VAL D 1 36 ? 75.914 35.745 24.297 1.0 14.23 ? 36 VAL D CA 1 36 . D ATOM 2828 C C . VAL D 1 36 ? 75.847 36.448 22.929 1.0 15.63 ? 36 VAL D C 1 36 . D ATOM 2829 O O . VAL D 1 36 ? 75.746 37.690 22.914 1.0 16.26 ? 36 VAL D O 1 36 . D ATOM 2830 C CB . VAL D 1 36 ? 76.058 34.250 24.163 1.0 13.84 ? 36 VAL D CB 1 36 . D ATOM 2831 C CG1 . VAL D 1 36 ? 77.433 33.886 23.574 1.0 14.33 ? 36 VAL D CG1 1 36 . D ATOM 2832 C CG2 . VAL D 1 36 ? 75.902 33.507 25.487 1.0 13.77 ? 36 VAL D CG2 1 36 . D ATOM 2833 N N . ASP D 1 37 ? 75.768 35.720 21.832 1.0 16.83 ? 37 ASP D N 1 37 . D ATOM 2834 C CA . ASP D 1 37 ? 75.712 36.364 20.520 1.0 17.95 ? 37 ASP D CA 1 37 . D ATOM 2835 C C . ASP D 1 37 ? 74.321 36.367 19.917 1.0 18.37 ? 37 ASP D C 1 37 . D ATOM 2836 O O . ASP D 1 37 ? 74.157 36.723 18.740 1.0 18.92 ? 37 ASP D O 1 37 . D ATOM 2837 C CB . ASP D 1 37 ? 76.715 35.713 19.566 1.0 17.67 ? 37 ASP D CB 1 37 . D ATOM 2838 C CG . ASP D 1 37 ? 76.369 34.284 19.215 1.0 17.95 ? 37 ASP D CG 1 37 . D ATOM 2839 O OD1 . ASP D 1 37 ? 75.830 33.551 20.073 1.0 19.08 ? 37 ASP D OD1 1 37 . D ATOM 2840 O OD2 . ASP D 1 37 ? 76.650 33.878 18.063 1.0 19.0 ? 37 ASP D OD2 1 37 . D ATOM 2841 N N . LYS D 1 38 ? 73.308 36.007 20.695 1.0 18.27 ? 38 LYS D N 1 38 . D ATOM 2842 C CA . LYS D 1 38 ? 71.946 35.962 20.190 1.0 18.45 ? 38 LYS D CA 1 38 . D ATOM 2843 C C . LYS D 1 38 ? 71.139 37.188 20.592 1.0 18.21 ? 38 LYS D C 1 38 . D ATOM 2844 O O . LYS D 1 38 ? 71.023 37.519 21.770 1.0 17.88 ? 38 LYS D O 1 38 . D ATOM 2845 C CB . LYS D 1 38 ? 71.226 34.699 20.691 1.0 19.91 ? 38 LYS D CB 1 38 . D ATOM 2846 C CG . LYS D 1 38 ? 69.842 34.527 20.077 1.0 22.86 ? 38 LYS D CG 1 38 . D ATOM 2847 C CD . LYS D 1 38 ? 68.989 33.578 20.901 1.0 26.39 ? 38 LYS D CD 1 38 . D ATOM 2848 C CE . LYS D 1 38 ? 67.616 33.385 20.276 1.0 30.23 ? 38 LYS D CE 1 38 . D ATOM 2849 N NZ . LYS D 1 38 ? 66.956 34.680 19.936 1.0 32.72 ? 38 LYS D NZ 1 38 . D ATOM 2850 N N . PRO D 1 39 ? 70.568 37.852 19.599 1.0 17.96 ? 39 PRO D N 1 39 . D ATOM 2851 C CA . PRO D 1 39 ? 69.714 39.017 19.824 1.0 17.84 ? 39 PRO D CA 1 39 . D ATOM 2852 C C . PRO D 1 39 ? 68.395 38.522 20.421 1.0 18.39 ? 39 PRO D C 1 39 . D ATOM 2853 O O . PRO D 1 39 ? 67.672 37.767 19.772 1.0 19.24 ? 39 PRO D O 1 39 . D ATOM 2854 C CB . PRO D 1 39 ? 69.509 39.607 18.449 1.0 17.45 ? 39 PRO D CB 1 39 . D ATOM 2855 C CG . PRO D 1 39 ? 70.352 38.833 17.506 1.0 17.02 ? 39 PRO D CG 1 39 . D ATOM 2856 C CD . PRO D 1 39 ? 70.644 37.509 18.162 1.0 17.11 ? 39 PRO D CD 1 39 . D ATOM 2857 N N . ILE D 1 40 ? 68.138 38.869 21.669 1.0 18.58 ? 40 ILE D N 1 40 . D ATOM 2858 C CA . ILE D 1 40 ? 66.937 38.422 22.372 1.0 18.02 ? 40 ILE D CA 1 40 . D ATOM 2859 C C . ILE D 1 40 ? 65.814 39.439 22.263 1.0 18.19 ? 40 ILE D C 1 40 . D ATOM 2860 O O . ILE D 1 40 ? 64.637 39.090 22.172 1.0 19.32 ? 40 ILE D O 1 40 . D ATOM 2861 C CB . ILE D 1 40 ? 67.273 38.167 23.858 1.0 17.61 ? 40 ILE D CB 1 40 . D ATOM 2862 C CG1 . ILE D 1 40 ? 68.287 37.021 23.973 1.0 17.53 ? 40 ILE D CG1 1 40 . D ATOM 2863 C CG2 . ILE D 1 40 ? 66.041 37.874 24.683 1.0 18.03 ? 40 ILE D CG2 1 40 . D ATOM 2864 C CD1 . ILE D 1 40 ? 67.809 35.707 23.403 1.0 15.59 ? 40 ILE D CD1 1 40 . D ATOM 2865 N N . TRP D 1 41 ? 66.172 40.714 22.263 1.0 17.31 ? 41 TRP D N 1 41 . D ATOM 2866 C CA . TRP D 1 41 ? 65.201 41.801 22.190 1.0 15.41 ? 41 TRP D CA 1 41 . D ATOM 2867 C C . TRP D 1 41 ? 65.878 43.045 21.622 1.0 15.69 ? 41 TRP D C 1 41 . D ATOM 2868 O O . TRP D 1 41 ? 67.063 43.265 21.888 1.0 16.21 ? 41 TRP D O 1 41 . D ATOM 2869 C CB . TRP D 1 41 ? 64.688 42.105 23.597 1.0 14.2 ? 41 TRP D CB 1 41 . D ATOM 2870 C CG . TRP D 1 41 ? 63.679 43.202 23.686 1.0 13.68 ? 41 TRP D CG 1 41 . D ATOM 2871 C CD1 . TRP D 1 41 ? 62.319 43.061 23.703 1.0 12.87 ? 41 TRP D CD1 1 41 . D ATOM 2872 C CD2 . TRP D 1 41 ? 63.933 44.610 23.801 1.0 13.52 ? 41 TRP D CD2 1 41 . D ATOM 2873 N NE1 . TRP D 1 41 ? 61.719 44.289 23.814 1.0 12.6 ? 41 TRP D NE1 1 41 . D ATOM 2874 C CE2 . TRP D 1 41 ? 62.684 45.257 23.880 1.0 12.8 ? 41 TRP D CE2 1 41 . D ATOM 2875 C CE3 . TRP D 1 41 ? 65.096 45.384 23.836 1.0 13.46 ? 41 TRP D CE3 1 41 . D ATOM 2876 C CZ2 . TRP D 1 41 ? 62.564 46.640 24.005 1.0 13.24 ? 41 TRP D CZ2 1 41 . D ATOM 2877 C CZ3 . TRP D 1 41 ? 64.974 46.758 23.954 1.0 14.45 ? 41 TRP D CZ3 1 41 . D ATOM 2878 C CH2 . TRP D 1 41 ? 63.717 47.374 24.042 1.0 12.58 ? 41 TRP D CH2 1 41 . D ATOM 2879 N N . ALA D 1 42 ? 65.127 43.844 20.881 1.0 15.15 ? 42 ALA D N 1 42 . D ATOM 2880 C CA . ALA D 1 42 ? 65.682 45.067 20.300 1.0 14.95 ? 42 ALA D CA 1 42 . D ATOM 2881 C C . ALA D 1 42 ? 64.591 46.119 20.155 1.0 14.88 ? 42 ALA D C 1 42 . D ATOM 2882 O O . ALA D 1 42 ? 63.408 45.785 20.140 1.0 15.25 ? 42 ALA D O 1 42 . D ATOM 2883 C CB . ALA D 1 42 ? 66.304 44.761 18.944 1.0 13.61 ? 42 ALA D CB 1 42 . D ATOM 2884 N N . THR D 1 43 ? 64.995 47.378 20.023 1.0 15.28 ? 43 THR D N 1 43 . D ATOM 2885 C CA . THR D 1 43 ? 64.035 48.464 19.828 1.0 15.21 ? 43 THR D CA 1 43 . D ATOM 2886 C C . THR D 1 43 ? 63.669 48.535 18.343 1.0 17.13 ? 43 THR D C 1 43 . D ATOM 2887 O O . THR D 1 43 ? 62.728 49.207 17.944 1.0 18.38 ? 43 THR D O 1 43 . D ATOM 2888 C CB . THR D 1 43 ? 64.607 49.825 20.248 1.0 13.23 ? 43 THR D CB 1 43 . D ATOM 2889 O OG1 . THR D 1 43 ? 65.922 49.966 19.698 1.0 13.2 ? 43 THR D OG1 1 43 . D ATOM 2890 C CG2 . THR D 1 43 ? 64.674 49.971 21.756 1.0 11.9 ? 43 THR D CG2 1 43 . D ATOM 2891 N N . ASN D 1 44 ? 64.466 47.859 17.520 1.0 18.46 ? 44 ASN D N 1 44 . D ATOM 2892 C CA . ASN D 1 44 ? 64.283 47.812 16.085 1.0 20.19 ? 44 ASN D CA 1 44 . D ATOM 2893 C C . ASN D 1 44 ? 64.371 49.193 15.454 1.0 19.87 ? 44 ASN D C 1 44 . D ATOM 2894 O O . ASN D 1 44 ? 63.647 49.541 14.525 1.0 20.37 ? 44 ASN D O 1 44 . D ATOM 2895 C CB . ASN D 1 44 ? 63.001 47.078 15.696 1.0 21.93 ? 44 ASN D CB 1 44 . D ATOM 2896 C CG . ASN D 1 44 ? 63.052 45.614 16.108 1.0 24.93 ? 44 ASN D CG 1 44 . D ATOM 2897 O OD1 . ASN D 1 44 ? 64.075 44.948 15.942 1.0 26.19 ? 44 ASN D OD1 1 44 . D ATOM 2898 N ND2 . ASN D 1 44 ? 61.970 45.116 16.691 1.0 25.43 ? 44 ASN D ND2 1 44 . D ATOM 2899 N N . THR D 1 45 ? 65.320 49.987 15.953 1.0 19.31 ? 45 THR D N 1 45 . D ATOM 2900 C CA . THR D 1 45 ? 65.557 51.335 15.458 1.0 18.05 ? 45 THR D CA 1 45 . D ATOM 2901 C C . THR D 1 45 ? 66.916 51.417 14.772 1.0 17.13 ? 45 THR D C 1 45 . D ATOM 2902 O O . THR D 1 45 ? 67.436 52.497 14.500 1.0 17.25 ? 45 THR D O 1 45 . D ATOM 2903 C CB . THR D 1 45 ? 65.450 52.374 16.581 1.0 18.7 ? 45 THR D CB 1 45 . D ATOM 2904 O OG1 . THR D 1 45 ? 66.225 51.956 17.719 1.0 20.02 ? 45 THR D OG1 1 45 . D ATOM 2905 C CG2 . THR D 1 45 ? 63.998 52.537 17.025 1.0 18.46 ? 45 THR D CG2 1 45 . D ATOM 2906 N N . GLY D 1 46 ? 67.487 50.249 14.472 1.0 16.68 ? 46 GLY D N 1 46 . D ATOM 2907 C CA . GLY D 1 46 ? 68.782 50.187 13.804 1.0 16.97 ? 46 GLY D CA 1 46 . D ATOM 2908 C C . GLY D 1 46 ? 68.732 50.888 12.452 1.0 17.36 ? 46 GLY D C 1 46 . D ATOM 2909 O O . GLY D 1 46 ? 67.837 50.641 11.640 1.0 17.42 ? 46 GLY D O 1 46 . D ATOM 2910 N N . GLY D 1 47 ? 69.668 51.803 12.212 1.0 17.41 ? 47 GLY D N 1 47 . D ATOM 2911 C CA . GLY D 1 47 ? 69.752 52.516 10.958 1.0 18.03 ? 47 GLY D CA 1 47 . D ATOM 2912 C C . GLY D 1 47 ? 68.909 53.760 10.862 1.0 19.25 ? 47 GLY D C 1 47 . D ATOM 2913 O O . GLY D 1 47 ? 69.025 54.514 9.882 1.0 19.65 ? 47 GLY D O 1 47 . D ATOM 2914 N N . LEU D 1 48 ? 68.074 54.045 11.861 1.0 19.81 ? 48 LEU D N 1 48 . D ATOM 2915 C CA . LEU D 1 48 ? 67.234 55.234 11.861 1.0 19.82 ? 48 LEU D CA 1 48 . D ATOM 2916 C C . LEU D 1 48 ? 68.070 56.490 12.096 1.0 20.57 ? 48 LEU D C 1 48 . D ATOM 2917 O O . LEU D 1 48 ? 67.666 57.596 11.760 1.0 21.59 ? 48 LEU D O 1 48 . D ATOM 2918 C CB . LEU D 1 48 ? 66.128 55.146 12.905 1.0 17.63 ? 48 LEU D CB 1 48 . D ATOM 2919 C CG . LEU D 1 48 ? 64.948 54.228 12.596 1.0 16.82 ? 48 LEU D CG 1 48 . D ATOM 2920 C CD1 . LEU D 1 48 ? 63.931 54.269 13.731 1.0 16.22 ? 48 LEU D CD1 1 48 . D ATOM 2921 C CD2 . LEU D 1 48 ? 64.287 54.615 11.281 1.0 16.44 ? 48 LEU D CD2 1 48 . D ATOM 2922 N N . SER D 1 49 ? 69.230 56.308 12.700 1.0 21.31 ? 49 SER D N 1 49 . D ATOM 2923 C CA . SER D 1 49 ? 70.164 57.390 12.968 1.0 21.8 ? 49 SER D CA 1 49 . D ATOM 2924 C C . SER D 1 49 ? 71.524 56.791 13.313 1.0 21.7 ? 49 SER D C 1 49 . D ATOM 2925 O O . SER D 1 49 ? 71.695 55.572 13.184 1.0 22.17 ? 49 SER D O 1 49 . D ATOM 2926 C CB . SER D 1 49 ? 69.657 58.279 14.097 1.0 22.4 ? 49 SER D CB 1 49 . D ATOM 2927 O OG . SER D 1 49 ? 70.335 59.526 14.084 1.0 26.09 ? 49 SER D OG 1 49 . D ATOM 2928 N N . ARG D 1 50 ? 72.432 57.592 13.835 1.0 22.4 ? 50 ARG D N 1 50 . D ATOM 2929 C CA . ARG D 1 50 ? 73.754 57.118 14.227 1.0 23.34 ? 50 ARG D CA 1 50 . D ATOM 2930 C C . ARG D 1 50 ? 74.206 57.768 15.535 1.0 22.53 ? 50 ARG D C 1 50 . D ATOM 2931 O O . ARG D 1 50 ? 73.855 58.917 15.807 1.0 21.66 ? 50 ARG D O 1 50 . D ATOM 2932 C CB . ARG D 1 50 ? 74.782 57.467 13.141 1.0 26.46 ? 50 ARG D CB 1 50 . D ATOM 2933 C CG . ARG D 1 50 ? 74.928 56.458 12.031 1.0 31.48 ? 50 ARG D CG 1 50 . D ATOM 2934 C CD . ARG D 1 50 ? 75.858 55.313 12.420 1.0 35.34 ? 50 ARG D CD 1 50 . D ATOM 2935 N NE . ARG D 1 50 ? 75.515 54.102 11.686 1.0 39.57 ? 50 ARG D NE 1 50 . D ATOM 2936 C CZ . ARG D 1 50 ? 76.207 52.978 11.671 1.0 41.93 ? 50 ARG D CZ 1 50 . D ATOM 2937 N NH1 . ARG D 1 50 ? 77.335 52.862 12.359 1.0 43.32 ? 50 ARG D NH1 1 50 . D ATOM 2938 N NH2 . ARG D 1 50 ? 75.773 51.944 10.954 1.0 43.33 ? 50 ARG D NH2 1 50 . D ATOM 2939 N N . SER D 1 51 ? 74.983 57.045 16.333 1.0 21.59 ? 51 SER D N 1 51 . D ATOM 2940 C CA . SER D 1 51 ? 75.518 57.587 17.569 1.0 21.75 ? 51 SER D CA 1 51 . D ATOM 2941 C C . SER D 1 51 ? 74.470 58.080 18.549 1.0 21.98 ? 51 SER D C 1 51 . D ATOM 2942 O O . SER D 1 51 ? 74.641 59.142 19.170 1.0 21.55 ? 51 SER D O 1 51 . D ATOM 2943 C CB . SER D 1 51 ? 76.479 58.749 17.230 1.0 21.64 ? 51 SER D CB 1 51 . D ATOM 2944 O OG . SER D 1 51 ? 77.502 58.295 16.362 1.0 23.22 ? 51 SER D OG 1 51 . D ATOM 2945 N N . CYS D 1 52 ? 73.413 57.304 18.756 1.0 21.34 ? 52 CYS D N 1 52 . D ATOM 2946 C CA . CYS D 1 52 ? 72.370 57.658 19.705 1.0 20.35 ? 52 CYS D CA 1 52 . D ATOM 2947 C C . CYS D 1 52 ? 72.839 57.413 21.146 1.0 19.89 ? 52 CYS D C 1 52 . D ATOM 2948 O O . CYS D 1 52 ? 73.793 56.679 21.391 1.0 19.23 ? 52 CYS D O 1 52 . D ATOM 2949 C CB . CYS D 1 52 ? 71.119 56.801 19.475 1.0 18.75 ? 52 CYS D CB 1 52 . D ATOM 2950 S SG . CYS D 1 52 ? 70.203 57.162 17.966 1.0 17.86 ? 52 CYS D SG 1 52 . D ATOM 2951 N N . PHE D 1 53 ? 72.126 58.023 22.083 1.0 19.76 ? 53 PHE D N 1 53 . D ATOM 2952 C CA . PHE D 1 53 ? 72.409 57.835 23.502 1.0 19.76 ? 53 PHE D CA 1 53 . D ATOM 2953 C C . PHE D 1 53 ? 71.111 57.448 24.217 1.0 18.74 ? 53 PHE D C 1 53 . D ATOM 2954 O O . PHE D 1 53 ? 70.028 57.840 23.786 1.0 17.93 ? 53 PHE D O 1 53 . D ATOM 2955 C CB . PHE D 1 53 ? 73.106 58.999 24.137 1.0 22.45 ? 53 PHE D CB 1 53 . D ATOM 2956 C CG . PHE D 1 53 ? 72.416 60.320 24.164 1.0 25.95 ? 53 PHE D CG 1 53 . D ATOM 2957 C CD1 . PHE D 1 53 ? 72.590 61.237 23.138 1.0 29.04 ? 53 PHE D CD1 1 53 . D ATOM 2958 C CD2 . PHE D 1 53 ? 71.620 60.684 25.243 1.0 28.7 ? 53 PHE D CD2 1 53 . D ATOM 2959 C CE1 . PHE D 1 53 ? 71.965 62.471 23.170 1.0 30.96 ? 53 PHE D CE1 1 53 . D ATOM 2960 C CE2 . PHE D 1 53 ? 70.998 61.918 25.287 1.0 30.22 ? 53 PHE D CE2 1 53 . D ATOM 2961 C CZ . PHE D 1 53 ? 71.173 62.814 24.248 1.0 31.62 ? 53 PHE D CZ 1 53 . D ATOM 2962 N N . LEU D 1 54 ? 71.231 56.606 25.238 1.0 17.56 ? 54 LEU D N 1 54 . D ATOM 2963 C CA . LEU D 1 54 ? 70.068 56.153 25.994 1.0 16.57 ? 54 LEU D CA 1 54 . D ATOM 2964 C C . LEU D 1 54 ? 69.961 56.937 27.301 1.0 16.37 ? 54 LEU D C 1 54 . D ATOM 2965 O O . LEU D 1 54 ? 70.943 57.041 28.031 1.0 16.82 ? 54 LEU D O 1 54 . D ATOM 2966 C CB . LEU D 1 54 ? 70.153 54.658 26.305 1.0 14.97 ? 54 LEU D CB 1 54 . D ATOM 2967 C CG . LEU D 1 54 ? 68.987 54.077 27.111 1.0 14.28 ? 54 LEU D CG 1 54 . D ATOM 2968 C CD1 . LEU D 1 54 ? 67.699 54.117 26.300 1.0 13.29 ? 54 LEU D CD1 1 54 . D ATOM 2969 C CD2 . LEU D 1 54 ? 69.297 52.655 27.555 1.0 13.06 ? 54 LEU D CD2 1 54 . D ATOM 2970 N N . SER D 1 55 ? 68.778 57.464 27.591 1.0 15.91 ? 55 SER D N 1 55 . D ATOM 2971 C CA . SER D 1 55 ? 68.598 58.256 28.799 1.0 15.34 ? 55 SER D CA 1 55 . D ATOM 2972 C C . SER D 1 55 ? 67.505 57.737 29.710 1.0 15.12 ? 55 SER D C 1 55 . D ATOM 2973 O O . SER D 1 55 ? 66.348 57.615 29.303 1.0 15.23 ? 55 SER D O 1 55 . D ATOM 2974 C CB . SER D 1 55 ? 68.302 59.705 28.371 1.0 15.5 ? 55 SER D CB 1 55 . D ATOM 2975 O OG . SER D 1 55 ? 68.573 60.603 29.422 1.0 18.72 ? 55 SER D OG 1 55 . D ATOM 2976 N N . MET D 1 56 ? 67.864 57.408 30.949 1.0 14.36 ? 56 MET D N 1 56 . D ATOM 2977 C CA . MET D 1 56 ? 66.868 56.968 31.941 1.0 14.13 ? 56 MET D CA 1 56 . D ATOM 2978 C C . MET D 1 56 ? 66.459 58.229 32.716 1.0 14.46 ? 56 MET D C 1 56 . D ATOM 2979 O O . MET D 1 56 ? 67.217 58.705 33.564 1.0 15.33 ? 56 MET D O 1 56 . D ATOM 2980 C CB . MET D 1 56 ? 67.440 55.926 32.872 1.0 14.7 ? 56 MET D CB 1 56 . D ATOM 2981 C CG . MET D 1 56 ? 66.580 55.584 34.082 1.0 15.68 ? 56 MET D CG 1 56 . D ATOM 2982 S SD . MET D 1 56 ? 65.174 54.544 33.652 1.0 18.9 ? 56 MET D SD 1 56 . D ATOM 2983 C CE . MET D 1 56 ? 63.877 55.749 33.467 1.0 18.49 ? 56 MET D CE 1 56 . D ATOM 2984 N N . GLN D 1 57 ? 65.319 58.798 32.373 1.0 14.26 ? 57 GLN D N 1 57 . D ATOM 2985 C CA . GLN D 1 57 ? 64.888 60.058 32.948 1.0 15.17 ? 57 GLN D CA 1 57 . D ATOM 2986 C C . GLN D 1 57 ? 64.297 60.006 34.329 1.0 15.32 ? 57 GLN D C 1 57 . D ATOM 2987 O O . GLN D 1 57 ? 63.797 58.986 34.799 1.0 15.07 ? 57 GLN D O 1 57 . D ATOM 2988 C CB . GLN D 1 57 ? 63.895 60.723 31.963 1.0 16.76 ? 57 GLN D CB 1 57 . D ATOM 2989 C CG . GLN D 1 57 ? 64.536 60.954 30.596 1.0 18.04 ? 57 GLN D CG 1 57 . D ATOM 2990 C CD . GLN D 1 57 ? 63.572 61.581 29.612 1.0 20.72 ? 57 GLN D CD 1 57 . D ATOM 2991 O OE1 . GLN D 1 57 ? 62.361 61.594 29.845 1.0 20.17 ? 57 GLN D OE1 1 57 . D ATOM 2992 N NE2 . GLN D 1 57 ? 64.115 62.103 28.518 1.0 21.25 ? 57 GLN D NE2 1 57 . D ATOM 2993 N N . THR D 1 58 ? 64.248 61.175 34.993 1.0 15.71 ? 58 THR D N 1 58 . D ATOM 2994 C CA . THR D 1 58 ? 63.680 61.291 36.322 1.0 17.19 ? 58 THR D CA 1 58 . D ATOM 2995 C C . THR D 1 58 ? 62.160 61.225 36.341 1.0 17.78 ? 58 THR D C 1 58 . D ATOM 2996 O O . THR D 1 58 ? 61.557 61.359 37.413 1.0 18.89 ? 58 THR D O 1 58 . D ATOM 2997 C CB . THR D 1 58 ? 64.133 62.579 37.040 1.0 17.28 ? 58 THR D CB 1 58 . D ATOM 2998 O OG1 . THR D 1 58 ? 63.782 63.712 36.235 1.0 18.09 ? 58 THR D OG1 1 58 . D ATOM 2999 C CG2 . THR D 1 58 ? 65.633 62.567 37.274 1.0 16.68 ? 58 THR D CG2 1 58 . D ATOM 3000 N N . ASP D 1 59 ? 61.515 61.029 35.201 1.0 18.0 ? 59 ASP D N 1 59 . D ATOM 3001 C CA . ASP D 1 59 ? 60.073 60.899 35.117 1.0 17.87 ? 59 ASP D CA 1 59 . D ATOM 3002 C C . ASP D 1 59 ? 59.687 59.432 34.898 1.0 16.71 ? 59 ASP D C 1 59 . D ATOM 3003 O O . ASP D 1 59 ? 58.519 59.096 34.760 1.0 16.24 ? 59 ASP D O 1 59 . D ATOM 3004 C CB . ASP D 1 59 ? 59.478 61.757 34.014 1.0 20.36 ? 59 ASP D CB 1 59 . D ATOM 3005 C CG . ASP D 1 59 ? 59.957 61.399 32.625 1.0 23.1 ? 59 ASP D CG 1 59 . D ATOM 3006 O OD1 . ASP D 1 59 ? 60.771 60.463 32.471 1.0 24.2 ? 59 ASP D OD1 1 59 . D ATOM 3007 O OD2 . ASP D 1 59 ? 59.510 62.070 31.664 1.0 25.21 ? 59 ASP D OD2 1 59 . D ATOM 3008 N N . GLY D 1 60 ? 60.700 58.570 34.851 1.0 15.75 ? 60 GLY D N 1 60 . D ATOM 3009 C CA . GLY D 1 60 ? 60.493 57.148 34.671 1.0 15.07 ? 60 GLY D CA 1 60 . D ATOM 3010 C C . GLY D 1 60 ? 60.488 56.722 33.216 1.0 14.85 ? 60 GLY D C 1 60 . D ATOM 3011 O O . GLY D 1 60 ? 60.364 55.529 32.922 1.0 15.11 ? 60 GLY D O 1 60 . D ATOM 3012 N N . ASN D 1 61 ? 60.665 57.662 32.298 1.0 14.92 ? 61 ASN D N 1 61 . D ATOM 3013 C CA . ASN D 1 61 ? 60.685 57.351 30.871 1.0 14.9 ? 61 ASN D CA 1 61 . D ATOM 3014 C C . ASN D 1 61 ? 62.106 57.013 30.422 1.0 15.23 ? 61 ASN D C 1 61 . D ATOM 3015 O O . ASN D 1 61 ? 63.059 57.695 30.796 1.0 15.66 ? 61 ASN D O 1 61 . D ATOM 3016 C CB . ASN D 1 61 ? 60.145 58.537 30.070 1.0 14.22 ? 61 ASN D CB 1 61 . D ATOM 3017 C CG . ASN D 1 61 ? 59.582 58.186 28.719 1.0 14.53 ? 61 ASN D CG 1 61 . D ATOM 3018 O OD1 . ASN D 1 61 ? 59.288 57.031 28.402 1.0 14.74 ? 61 ASN D OD1 1 61 . D ATOM 3019 N ND2 . ASN D 1 61 ? 59.387 59.199 27.874 1.0 14.85 ? 61 ASN D ND2 1 61 . D ATOM 3020 N N . LEU D 1 62 ? 62.239 55.937 29.667 1.0 15.28 ? 62 LEU D N 1 62 . D ATOM 3021 C CA . LEU D 1 62 ? 63.541 55.515 29.124 1.0 14.64 ? 62 LEU D CA 1 62 . D ATOM 3022 C C . LEU D 1 62 ? 63.529 55.906 27.639 1.0 14.48 ? 62 LEU D C 1 62 . D ATOM 3023 O O . LEU D 1 62 ? 62.709 55.388 26.882 1.0 14.19 ? 62 LEU D O 1 62 . D ATOM 3024 C CB . LEU D 1 62 ? 63.725 54.019 29.297 1.0 14.13 ? 62 LEU D CB 1 62 . D ATOM 3025 C CG . LEU D 1 62 ? 65.059 53.411 28.862 1.0 13.75 ? 62 LEU D CG 1 62 . D ATOM 3026 C CD1 . LEU D 1 62 ? 66.149 53.737 29.874 1.0 12.51 ? 62 LEU D CD1 1 62 . D ATOM 3027 C CD2 . LEU D 1 62 ? 64.930 51.908 28.670 1.0 12.57 ? 62 LEU D CD2 1 62 . D ATOM 3028 N N . VAL D 1 63 ? 64.338 56.892 27.268 1.0 14.25 ? 63 VAL D N 1 63 . D ATOM 3029 C CA . VAL D 1 63 ? 64.325 57.431 25.926 1.0 13.87 ? 63 VAL D CA 1 63 . D ATOM 3030 C C . VAL D 1 63 ? 65.633 57.300 25.160 1.0 15.12 ? 63 VAL D C 1 63 . D ATOM 3031 O O . VAL D 1 63 ? 66.714 57.565 25.680 1.0 15.08 ? 63 VAL D O 1 63 . D ATOM 3032 C CB . VAL D 1 63 ? 63.997 58.955 25.967 1.0 13.74 ? 63 VAL D CB 1 63 . D ATOM 3033 C CG1 . VAL D 1 63 ? 63.786 59.495 24.561 1.0 12.35 ? 63 VAL D CG1 1 63 . D ATOM 3034 C CG2 . VAL D 1 63 ? 62.809 59.255 26.856 1.0 12.45 ? 63 VAL D CG2 1 63 . D ATOM 3035 N N . VAL D 1 64 ? 65.503 56.984 23.869 1.0 15.5 ? 64 VAL D N 1 64 . D ATOM 3036 C CA . VAL D 1 64 ? 66.637 56.899 22.959 1.0 16.02 ? 64 VAL D CA 1 64 . D ATOM 3037 C C . VAL D 1 64 ? 66.668 58.176 22.102 1.0 16.94 ? 64 VAL D C 1 64 . D ATOM 3038 O O . VAL D 1 64 ? 65.714 58.466 21.387 1.0 16.07 ? 64 VAL D O 1 64 . D ATOM 3039 C CB . VAL D 1 64 ? 66.572 55.681 22.034 1.0 16.17 ? 64 VAL D CB 1 64 . D ATOM 3040 C CG1 . VAL D 1 64 ? 67.675 55.734 20.978 1.0 14.68 ? 64 VAL D CG1 1 64 . D ATOM 3041 C CG2 . VAL D 1 64 ? 66.669 54.379 22.828 1.0 15.78 ? 64 VAL D CG2 1 64 . D ATOM 3042 N N . TYR D 1 65 ? 67.744 58.939 22.217 1.0 18.2 ? 65 TYR D N 1 65 . D ATOM 3043 C CA . TYR D 1 65 ? 67.881 60.191 21.490 1.0 19.55 ? 65 TYR D CA 1 65 . D ATOM 3044 C C . TYR D 1 65 ? 68.940 60.108 20.392 1.0 19.95 ? 65 TYR D C 1 65 . D ATOM 3045 O O . TYR D 1 65 ? 69.955 59.436 20.561 1.0 19.48 ? 65 TYR D O 1 65 . D ATOM 3046 C CB . TYR D 1 65 ? 68.303 61.309 22.454 1.0 20.52 ? 65 TYR D CB 1 65 . D ATOM 3047 C CG . TYR D 1 65 ? 67.254 61.771 23.428 1.0 22.83 ? 65 TYR D CG 1 65 . D ATOM 3048 C CD1 . TYR D 1 65 ? 66.133 62.468 22.989 1.0 23.88 ? 65 TYR D CD1 1 65 . D ATOM 3049 C CD2 . TYR D 1 65 ? 67.402 61.572 24.798 1.0 23.0 ? 65 TYR D CD2 1 65 . D ATOM 3050 C CE1 . TYR D 1 65 ? 65.181 62.926 23.881 1.0 24.92 ? 65 TYR D CE1 1 65 . D ATOM 3051 C CE2 . TYR D 1 65 ? 66.458 62.028 25.697 1.0 23.94 ? 65 TYR D CE2 1 65 . D ATOM 3052 C CZ . TYR D 1 65 ? 65.351 62.707 25.233 1.0 25.14 ? 65 TYR D CZ 1 65 . D ATOM 3053 O OH . TYR D 1 65 ? 64.399 63.167 26.114 1.0 25.1 ? 65 TYR D OH 1 65 . D ATOM 3054 N N . ASN D 1 66 ? 68.701 60.827 19.299 1.0 20.48 ? 66 ASN D N 1 66 . D ATOM 3055 C CA . ASN D 1 66 ? 69.710 60.861 18.218 1.0 21.38 ? 66 ASN D CA 1 66 . D ATOM 3056 C C . ASN D 1 66 ? 70.563 62.103 18.440 1.0 22.3 ? 66 ASN D C 1 66 . D ATOM 3057 O O . ASN D 1 66 ? 70.235 62.937 19.295 1.0 22.11 ? 66 ASN D O 1 66 . D ATOM 3058 C CB . ASN D 1 66 ? 69.071 60.802 16.858 1.0 20.84 ? 66 ASN D CB 1 66 . D ATOM 3059 C CG . ASN D 1 66 ? 68.274 62.001 16.427 1.0 20.61 ? 66 ASN D CG 1 66 . D ATOM 3060 O OD1 . ASN D 1 66 ? 68.303 63.073 17.032 1.0 20.29 ? 66 ASN D OD1 1 66 . D ATOM 3061 N ND2 . ASN D 1 66 ? 67.531 61.852 15.330 1.0 20.32 ? 66 ASN D ND2 1 66 . D ATOM 3062 N N . PRO D 1 67 ? 71.616 62.279 17.663 1.0 23.62 ? 67 PRO D N 1 67 . D ATOM 3063 C CA . PRO D 1 67 ? 72.509 63.412 17.774 1.0 24.23 ? 67 PRO D CA 1 67 . D ATOM 3064 C C . PRO D 1 67 ? 71.837 64.760 17.651 1.0 24.98 ? 67 PRO D C 1 67 . D ATOM 3065 O O . PRO D 1 67 ? 72.332 65.755 18.202 1.0 25.41 ? 67 PRO D O 1 67 . D ATOM 3066 C CB . PRO D 1 67 ? 73.525 63.200 16.658 1.0 24.33 ? 67 PRO D CB 1 67 . D ATOM 3067 C CG . PRO D 1 67 ? 73.494 61.740 16.385 1.0 23.87 ? 67 PRO D CG 1 67 . D ATOM 3068 C CD . PRO D 1 67 ? 72.062 61.317 16.621 1.0 23.76 ? 67 PRO D CD 1 67 . D ATOM 3069 N N . SER D 1 68 ? 70.709 64.843 16.950 1.0 24.63 ? 68 SER D N 1 68 . D ATOM 3070 C CA . SER D 1 68 ? 69.953 66.066 16.788 1.0 24.7 ? 68 SER D CA 1 68 . D ATOM 3071 C C . SER D 1 68 ? 69.057 66.321 18.001 1.0 24.59 ? 68 SER D C 1 68 . D ATOM 3072 O O . SER D 1 68 ? 68.311 67.294 18.039 1.0 24.56 ? 68 SER D O 1 68 . D ATOM 3073 C CB . SER D 1 68 ? 69.051 66.020 15.546 1.0 23.67 ? 68 SER D CB 1 68 . D ATOM 3074 O OG . SER D 1 68 ? 69.790 65.785 14.376 1.0 28.08 ? 68 SER D OG 1 68 . D ATOM 3075 N N . ASN D 1 69 ? 69.077 65.414 18.965 1.0 25.15 ? 69 ASN D N 1 69 . D ATOM 3076 C CA . ASN D 1 69 ? 68.340 65.489 20.190 1.0 25.91 ? 69 ASN D CA 1 69 . D ATOM 3077 C C . ASN D 1 69 ? 66.864 65.166 20.074 1.0 25.56 ? 69 ASN D C 1 69 . D ATOM 3078 O O . ASN D 1 69 ? 66.087 65.534 20.968 1.0 25.37 ? 69 ASN D O 1 69 . D ATOM 3079 C CB . ASN D 1 69 ? 68.536 66.840 20.898 1.0 28.82 ? 69 ASN D CB 1 69 . D ATOM 3080 C CG . ASN D 1 69 ? 69.994 67.099 21.246 1.0 30.88 ? 69 ASN D CG 1 69 . D ATOM 3081 O OD1 . ASN D 1 69 ? 70.708 66.191 21.680 1.0 30.64 ? 69 ASN D OD1 1 69 . D ATOM 3082 N ND2 . ASN D 1 69 ? 70.436 68.328 20.992 1.0 30.45 ? 69 ASN D ND2 1 69 . D ATOM 3083 N N . LYS D 1 70 ? 66.458 64.478 19.010 1.0 24.97 ? 70 LYS D N 1 70 . D ATOM 3084 C CA . LYS D 1 70 ? 65.052 64.082 18.884 1.0 24.45 ? 70 LYS D CA 1 70 . D ATOM 3085 C C . LYS D 1 70 ? 64.930 62.618 19.303 1.0 23.7 ? 70 LYS D C 1 70 . D ATOM 3086 O O . LYS D 1 70 ? 65.822 61.814 19.034 1.0 23.43 ? 70 LYS D O 1 70 . D ATOM 3087 C CB . LYS D 1 70 ? 64.481 64.328 17.511 1.0 27.91 ? 70 LYS D CB 1 70 . D ATOM 3088 C CG . LYS D 1 70 ? 65.229 63.762 16.336 1.0 33.67 ? 70 LYS D CG 1 70 . D ATOM 3089 C CD . LYS D 1 70 ? 64.909 64.491 15.032 1.0 36.75 ? 70 LYS D CD 1 70 . D ATOM 3090 C CE . LYS D 1 70 ? 66.124 64.473 14.104 1.0 38.66 ? 70 LYS D CE 1 70 . D ATOM 3091 N NZ . LYS D 1 70 ? 65.732 64.488 12.669 1.0 38.76 ? 70 LYS D NZ 1 70 . D ATOM 3092 N N . PRO D 1 71 ? 63.868 62.302 20.027 1.0 23.42 ? 71 PRO D N 1 71 . D ATOM 3093 C CA . PRO D 1 71 ? 63.618 60.946 20.482 1.0 23.67 ? 71 PRO D CA 1 71 . D ATOM 3094 C C . PRO D 1 71 ? 63.271 60.039 19.312 1.0 23.78 ? 71 PRO D C 1 71 . D ATOM 3095 O O . PRO D 1 71 ? 62.527 60.455 18.417 1.0 25.21 ? 71 PRO D O 1 71 . D ATOM 3096 C CB . PRO D 1 71 ? 62.426 61.087 21.420 1.0 23.63 ? 71 PRO D CB 1 71 . D ATOM 3097 C CG . PRO D 1 71 ? 61.736 62.334 21.006 1.0 23.47 ? 71 PRO D CG 1 71 . D ATOM 3098 C CD . PRO D 1 71 ? 62.783 63.230 20.410 1.0 23.26 ? 71 PRO D CD 1 71 . D ATOM 3099 N N . ILE D 1 72 ? 63.836 58.834 19.282 1.0 22.46 ? 72 ILE D N 1 72 . D ATOM 3100 C CA . ILE D 1 72 ? 63.537 57.896 18.205 1.0 20.7 ? 72 ILE D CA 1 72 . D ATOM 3101 C C . ILE D 1 72 ? 62.864 56.648 18.774 1.0 19.72 ? 72 ILE D C 1 72 . D ATOM 3102 O O . ILE D 1 72 ? 62.318 55.819 18.050 1.0 20.05 ? 72 ILE D O 1 72 . D ATOM 3103 C CB . ILE D 1 72 ? 64.726 57.544 17.328 1.0 21.4 ? 72 ILE D CB 1 72 . D ATOM 3104 C CG1 . ILE D 1 72 ? 65.770 56.695 18.058 1.0 20.71 ? 72 ILE D CG1 1 72 . D ATOM 3105 C CG2 . ILE D 1 72 ? 65.395 58.785 16.742 1.0 21.47 ? 72 ILE D CG2 1 72 . D ATOM 3106 C CD1 . ILE D 1 72 ? 66.567 55.813 17.112 1.0 21.25 ? 72 ILE D CD1 1 72 . D ATOM 3107 N N . TRP D 1 73 ? 62.891 56.524 20.096 1.0 18.09 ? 73 TRP D N 1 73 . D ATOM 3108 C CA . TRP D 1 73 ? 62.269 55.422 20.808 1.0 15.8 ? 73 TRP D CA 1 73 . D ATOM 3109 C C . TRP D 1 73 ? 62.139 55.786 22.292 1.0 15.19 ? 73 TRP D C 1 73 . D ATOM 3110 O O . TRP D 1 73 ? 62.996 56.481 22.836 1.0 15.26 ? 73 TRP D O 1 73 . D ATOM 3111 C CB . TRP D 1 73 ? 63.035 54.109 20.663 1.0 14.91 ? 73 TRP D CB 1 73 . D ATOM 3112 C CG . TRP D 1 73 ? 62.372 52.953 21.355 1.0 14.94 ? 73 TRP D CG 1 73 . D ATOM 3113 C CD1 . TRP D 1 73 ? 61.461 52.089 20.818 1.0 14.76 ? 73 TRP D CD1 1 73 . D ATOM 3114 C CD2 . TRP D 1 73 ? 62.544 52.550 22.721 1.0 14.43 ? 73 TRP D CD2 1 73 . D ATOM 3115 N NE1 . TRP D 1 73 ? 61.062 51.170 21.760 1.0 14.73 ? 73 TRP D NE1 1 73 . D ATOM 3116 C CE2 . TRP D 1 73 ? 61.704 51.441 22.940 1.0 14.36 ? 73 TRP D CE2 1 73 . D ATOM 3117 C CE3 . TRP D 1 73 ? 63.331 53.017 23.775 1.0 13.85 ? 73 TRP D CE3 1 73 . D ATOM 3118 C CZ2 . TRP D 1 73 ? 61.630 50.789 24.172 1.0 14.42 ? 73 TRP D CZ2 1 73 . D ATOM 3119 C CZ3 . TRP D 1 73 ? 63.251 52.374 24.998 1.0 13.19 ? 73 TRP D CZ3 1 73 . D ATOM 3120 C CH2 . TRP D 1 73 ? 62.408 51.272 25.187 1.0 13.08 ? 73 TRP D CH2 1 73 . D ATOM 3121 N N . ALA D 1 74 ? 61.054 55.362 22.914 1.0 14.38 ? 74 ALA D N 1 74 . D ATOM 3122 C CA . ALA D 1 74 ? 60.841 55.620 24.335 1.0 14.64 ? 74 ALA D CA 1 74 . D ATOM 3123 C C . ALA D 1 74 ? 59.957 54.522 24.916 1.0 15.54 ? 74 ALA D C 1 74 . D ATOM 3124 O O . ALA D 1 74 ? 59.097 53.996 24.209 1.0 16.11 ? 74 ALA D O 1 74 . D ATOM 3125 C CB . ALA D 1 74 ? 60.235 56.983 24.574 1.0 13.33 ? 74 ALA D CB 1 74 . D ATOM 3126 N N . SER D 1 75 ? 60.155 54.200 26.192 1.0 16.33 ? 75 SER D N 1 75 . D ATOM 3127 C CA . SER D 1 75 ? 59.328 53.183 26.842 1.0 17.52 ? 75 SER D CA 1 75 . D ATOM 3128 C C . SER D 1 75 ? 57.923 53.742 27.061 1.0 19.51 ? 75 SER D C 1 75 . D ATOM 3129 O O . SER D 1 75 ? 56.966 52.997 27.226 1.0 20.46 ? 75 SER D O 1 75 . D ATOM 3130 C CB . SER D 1 75 ? 59.924 52.708 28.157 1.0 15.15 ? 75 SER D CB 1 75 . D ATOM 3131 O OG . SER D 1 75 ? 60.045 53.748 29.109 1.0 13.13 ? 75 SER D OG 1 75 . D ATOM 3132 N N . ASN D 1 76 ? 57.816 55.064 27.075 1.0 21.81 ? 76 ASN D N 1 76 . D ATOM 3133 C CA . ASN D 1 76 ? 56.557 55.763 27.253 1.0 24.32 ? 76 ASN D CA 1 76 . D ATOM 3134 C C . ASN D 1 76 ? 55.958 55.481 28.621 1.0 24.06 ? 76 ASN D C 1 76 . D ATOM 3135 O O . ASN D 1 76 ? 54.772 55.212 28.779 1.0 25.93 ? 76 ASN D O 1 76 . D ATOM 3136 C CB . ASN D 1 76 ? 55.578 55.453 26.124 1.0 27.46 ? 76 ASN D CB 1 76 . D ATOM 3137 C CG . ASN D 1 76 ? 56.053 55.973 24.778 1.0 30.61 ? 76 ASN D CG 1 76 . D ATOM 3138 O OD1 . ASN D 1 76 ? 56.519 57.111 24.664 1.0 31.81 ? 76 ASN D OD1 1 76 . D ATOM 3139 N ND2 . ASN D 1 76 ? 55.954 55.139 23.748 1.0 30.75 ? 76 ASN D ND2 1 76 . D ATOM 3140 N N . THR D 1 77 ? 56.817 55.539 29.637 1.0 23.12 ? 77 THR D N 1 77 . D ATOM 3141 C CA . THR D 1 77 ? 56.426 55.298 31.018 1.0 21.44 ? 77 THR D CA 1 77 . D ATOM 3142 C C . THR D 1 77 ? 56.671 56.555 31.852 1.0 21.67 ? 77 THR D C 1 77 . D ATOM 3143 O O . THR D 1 77 ? 56.874 56.496 33.062 1.0 21.75 ? 77 THR D O 1 77 . D ATOM 3144 C CB . THR D 1 77 ? 57.200 54.117 31.627 1.0 20.15 ? 77 THR D CB 1 77 . D ATOM 3145 O OG1 . THR D 1 77 ? 58.602 54.267 31.349 1.0 19.41 ? 77 THR D OG1 1 77 . D ATOM 3146 C CG2 . THR D 1 77 ? 56.711 52.804 31.034 1.0 19.93 ? 77 THR D CG2 1 77 . D ATOM 3147 N N . GLY D 1 78 ? 56.688 57.692 31.157 1.0 21.89 ? 78 GLY D N 1 78 . D ATOM 3148 C CA . GLY D 1 78 ? 56.891 58.977 31.833 1.0 23.41 ? 78 GLY D CA 1 78 . D ATOM 3149 C C . GLY D 1 78 ? 55.721 59.187 32.804 1.0 25.01 ? 78 GLY D C 1 78 . D ATOM 3150 O O . GLY D 1 78 ? 54.592 58.801 32.501 1.0 26.15 ? 78 GLY D O 1 78 . D ATOM 3151 N N . GLY D 1 79 ? 56.020 59.744 33.969 1.0 25.0 ? 79 GLY D N 1 79 . D ATOM 3152 C CA . GLY D 1 79 ? 54.991 59.983 34.972 1.0 23.8 ? 79 GLY D CA 1 79 . D ATOM 3153 C C . GLY D 1 79 ? 55.546 60.811 36.127 1.0 22.7 ? 79 GLY D C 1 79 . D ATOM 3154 O O . GLY D 1 79 ? 56.202 61.826 35.922 1.0 22.32 ? 79 GLY D O 1 79 . D ATOM 3155 N N . GLN D 1 80 ? 55.269 60.355 37.338 1.0 22.22 ? 80 GLN D N 1 80 . D ATOM 3156 C CA . GLN D 1 80 ? 55.716 61.028 38.544 1.0 22.51 ? 80 GLN D CA 1 80 . D ATOM 3157 C C . GLN D 1 80 ? 57.223 61.277 38.521 1.0 21.17 ? 80 GLN D C 1 80 . D ATOM 3158 O O . GLN D 1 80 ? 57.989 60.367 38.211 1.0 20.83 ? 80 GLN D O 1 80 . D ATOM 3159 C CB . GLN D 1 80 ? 55.389 60.166 39.767 1.0 24.4 ? 80 GLN D CB 1 80 . D ATOM 3160 C CG . GLN D 1 80 ? 55.526 60.866 41.103 1.0 29.55 ? 80 GLN D CG 1 80 . D ATOM 3161 C CD . GLN D 1 80 ? 54.846 60.062 42.205 1.0 32.94 ? 80 GLN D CD 1 80 . D ATOM 3162 O OE1 . GLN D 1 80 ? 55.348 59.003 42.584 1.0 35.35 ? 80 GLN D OE1 1 80 . D ATOM 3163 N NE2 . GLN D 1 80 ? 53.697 60.543 42.662 1.0 33.37 ? 80 GLN D NE2 1 80 . D ATOM 3164 N N . ASN D 1 81 ? 57.609 62.493 38.867 1.0 20.55 ? 81 ASN D N 1 81 . D ATOM 3165 C CA . ASN D 1 81 ? 59.044 62.824 38.947 1.0 20.59 ? 81 ASN D CA 1 81 . D ATOM 3166 C C . ASN D 1 81 ? 59.583 62.149 40.212 1.0 19.58 ? 81 ASN D C 1 81 . D ATOM 3167 O O . ASN D 1 81 ? 58.856 62.086 41.213 1.0 19.28 ? 81 ASN D O 1 81 . D ATOM 3168 C CB . ASN D 1 81 ? 59.219 64.334 39.028 1.0 23.66 ? 81 ASN D CB 1 81 . D ATOM 3169 C CG . ASN D 1 81 ? 60.403 64.857 38.252 1.0 28.1 ? 81 ASN D CG 1 81 . D ATOM 3170 O OD1 . ASN D 1 81 ? 61.393 65.316 38.833 1.0 30.01 ? 81 ASN D OD1 1 81 . D ATOM 3171 N ND2 . ASN D 1 81 ? 60.309 64.797 36.924 1.0 28.85 ? 81 ASN D ND2 1 81 . D ATOM 3172 N N . GLY D 1 82 ? 60.787 61.605 40.161 1.0 18.26 ? 82 GLY D N 1 82 . D ATOM 3173 C CA . GLY D 1 82 ? 61.348 60.943 41.338 1.0 16.88 ? 82 GLY D CA 1 82 . D ATOM 3174 C C . GLY D 1 82 ? 62.560 60.102 40.975 1.0 15.52 ? 82 GLY D C 1 82 . D ATOM 3175 O O . GLY D 1 82 ? 63.195 60.342 39.952 1.0 16.35 ? 82 GLY D O 1 82 . D ATOM 3176 N N . ASN D 1 83 ? 62.871 59.127 41.820 1.0 14.15 ? 83 ASN D N 1 83 . D ATOM 3177 C CA . ASN D 1 83 ? 64.014 58.251 41.575 1.0 13.21 ? 83 ASN D CA 1 83 . D ATOM 3178 C C . ASN D 1 83 ? 63.556 56.926 40.997 1.0 12.48 ? 83 ASN D C 1 83 . D ATOM 3179 O O . ASN D 1 83 ? 62.568 56.348 41.437 1.0 12.2 ? 83 ASN D O 1 83 . D ATOM 3180 C CB . ASN D 1 83 ? 64.820 58.081 42.858 1.0 14.75 ? 83 ASN D CB 1 83 . D ATOM 3181 C CG . ASN D 1 83 ? 65.284 59.442 43.371 1.0 16.17 ? 83 ASN D CG 1 83 . D ATOM 3182 O OD1 . ASN D 1 83 ? 66.185 60.049 42.789 1.0 18.82 ? 83 ASN D OD1 1 83 . D ATOM 3183 N ND2 . ASN D 1 83 ? 64.623 59.937 44.402 1.0 16.3 ? 83 ASN D ND2 1 83 . D ATOM 3184 N N . TYR D 1 84 ? 64.188 56.506 39.905 1.0 11.94 ? 84 TYR D N 1 84 . D ATOM 3185 C CA . TYR D 1 84 ? 63.858 55.272 39.213 1.0 11.59 ? 84 TYR D CA 1 84 . D ATOM 3186 C C . TYR D 1 84 ? 65.143 54.505 38.883 1.0 10.93 ? 84 TYR D C 1 84 . D ATOM 3187 O O . TYR D 1 84 ? 66.230 55.083 38.926 1.0 10.78 ? 84 TYR D O 1 84 . D ATOM 3188 C CB . TYR D 1 84 ? 63.160 55.576 37.876 1.0 12.74 ? 84 TYR D CB 1 84 . D ATOM 3189 C CG . TYR D 1 84 ? 61.797 56.205 37.985 1.0 14.73 ? 84 TYR D CG 1 84 . D ATOM 3190 C CD1 . TYR D 1 84 ? 61.638 57.581 38.056 1.0 14.83 ? 84 TYR D CD1 1 84 . D ATOM 3191 C CD2 . TYR D 1 84 ? 60.650 55.415 37.996 1.0 15.81 ? 84 TYR D CD2 1 84 . D ATOM 3192 C CE1 . TYR D 1 84 ? 60.385 58.153 38.177 1.0 15.94 ? 84 TYR D CE1 1 84 . D ATOM 3193 C CE2 . TYR D 1 84 ? 59.392 55.979 38.101 1.0 16.39 ? 84 TYR D CE2 1 84 . D ATOM 3194 C CZ . TYR D 1 84 ? 59.266 57.351 38.179 1.0 16.84 ? 84 TYR D CZ 1 84 . D ATOM 3195 O OH . TYR D 1 84 ? 58.014 57.914 38.278 1.0 17.79 ? 84 TYR D OH 1 84 . D ATOM 3196 N N . VAL D 1 85 ? 65.012 53.237 38.535 1.0 10.7 ? 85 VAL D N 1 85 . D ATOM 3197 C CA . VAL D 1 85 ? 66.143 52.424 38.140 1.0 10.79 ? 85 VAL D CA 1 85 . D ATOM 3198 C C . VAL D 1 85 ? 65.760 51.508 36.964 1.0 11.19 ? 85 VAL D C 1 85 . D ATOM 3199 O O . VAL D 1 85 ? 64.643 50.997 36.923 1.0 12.43 ? 85 VAL D O 1 85 . D ATOM 3200 C CB . VAL D 1 85 ? 66.683 51.491 39.239 1.0 9.96 ? 85 VAL D CB 1 85 . D ATOM 3201 C CG1 . VAL D 1 85 ? 67.479 52.230 40.286 1.0 9.42 ? 85 VAL D CG1 1 85 . D ATOM 3202 C CG2 . VAL D 1 85 ? 65.554 50.677 39.849 1.0 8.78 ? 85 VAL D CG2 1 85 . D ATOM 3203 N N . CYS D 1 86 ? 66.705 51.310 36.066 1.0 9.96 ? 86 CYS D N 1 86 . D ATOM 3204 C CA . CYS D 1 86 ? 66.514 50.376 34.949 1.0 8.89 ? 86 CYS D CA 1 86 . D ATOM 3205 C C . CYS D 1 86 ? 67.538 49.255 35.195 1.0 8.39 ? 86 CYS D C 1 86 . D ATOM 3206 O O . CYS D 1 86 ? 68.733 49.533 35.306 1.0 8.49 ? 86 CYS D O 1 86 . D ATOM 3207 C CB . CYS D 1 86 ? 66.712 51.019 33.597 1.0 9.12 ? 86 CYS D CB 1 86 . D ATOM 3208 S SG . CYS D 1 86 ? 66.577 49.878 32.195 1.0 10.49 ? 86 CYS D SG 1 86 . D ATOM 3209 N N . ILE D 1 87 ? 67.051 48.046 35.417 1.0 8.02 ? 87 ILE D N 1 87 . D ATOM 3210 C CA . ILE D 1 87 ? 67.902 46.935 35.778 1.0 7.85 ? 87 ILE D CA 1 87 . D ATOM 3211 C C . ILE D 1 87 ? 67.942 45.798 34.776 1.0 8.57 ? 87 ILE D C 1 87 . D ATOM 3212 O O . ILE D 1 87 ? 66.908 45.325 34.323 1.0 8.46 ? 87 ILE D O 1 87 . D ATOM 3213 C CB . ILE D 1 87 ? 67.412 46.325 37.130 1.0 7.21 ? 87 ILE D CB 1 87 . D ATOM 3214 C CG1 . ILE D 1 87 ? 67.379 47.393 38.219 1.0 6.75 ? 87 ILE D CG1 1 87 . D ATOM 3215 C CG2 . ILE D 1 87 ? 68.294 45.161 37.545 1.0 7.33 ? 87 ILE D CG2 1 87 . D ATOM 3216 C CD1 . ILE D 1 87 ? 66.749 46.934 39.520 1.0 6.78 ? 87 ILE D CD1 1 87 . D ATOM 3217 N N . LEU D 1 88 ? 69.164 45.346 34.470 1.0 9.23 ? 88 LEU D N 1 88 . D ATOM 3218 C CA . LEU D 1 88 ? 69.321 44.134 33.648 1.0 10.04 ? 88 LEU D CA 1 88 . D ATOM 3219 C C . LEU D 1 88 ? 69.443 43.012 34.714 1.0 10.05 ? 88 LEU D C 1 88 . D ATOM 3220 O O . LEU D 1 88 ? 70.452 42.911 35.396 1.0 9.96 ? 88 LEU D O 1 88 . D ATOM 3221 C CB . LEU D 1 88 ? 70.503 44.162 32.726 1.0 10.16 ? 88 LEU D CB 1 88 . D ATOM 3222 C CG . LEU D 1 88 ? 70.971 42.823 32.136 1.0 11.97 ? 88 LEU D CG 1 88 . D ATOM 3223 C CD1 . LEU D 1 88 ? 69.856 42.132 31.368 1.0 11.45 ? 88 LEU D CD1 1 88 . D ATOM 3224 C CD2 . LEU D 1 88 ? 72.185 43.023 31.243 1.0 12.17 ? 88 LEU D CD2 1 88 . D ATOM 3225 N N . GLN D 1 89 ? 68.326 42.345 34.958 1.0 10.14 ? 89 GLN D N 1 89 . D ATOM 3226 C CA . GLN D 1 89 ? 68.219 41.345 35.992 1.0 9.81 ? 89 GLN D CA 1 89 . D ATOM 3227 C C . GLN D 1 89 ? 68.865 40.022 35.668 1.0 10.54 ? 89 GLN D C 1 89 . D ATOM 3228 O O . GLN D 1 89 ? 69.104 39.670 34.515 1.0 10.62 ? 89 GLN D O 1 89 . D ATOM 3229 C CB . GLN D 1 89 ? 66.720 41.115 36.335 1.0 8.89 ? 89 GLN D CB 1 89 . D ATOM 3230 C CG . GLN D 1 89 ? 66.024 42.408 36.730 1.0 8.43 ? 89 GLN D CG 1 89 . D ATOM 3231 C CD . GLN D 1 89 ? 64.624 42.245 37.254 1.0 7.86 ? 89 GLN D CD 1 89 . D ATOM 3232 O OE1 . GLN D 1 89 ? 64.052 43.176 37.838 1.0 8.16 ? 89 GLN D OE1 1 89 . D ATOM 3233 N NE2 . GLN D 1 89 ? 64.021 41.079 37.069 1.0 8.94 ? 89 GLN D NE2 1 89 . D ATOM 3234 N N . LYS D 1 90 ? 69.074 39.216 36.719 1.0 11.42 ? 90 LYS D N 1 90 . D ATOM 3235 C CA . LYS D 1 90 ? 69.668 37.897 36.585 1.0 12.0 ? 90 LYS D CA 1 90 . D ATOM 3236 C C . LYS D 1 90 ? 68.760 36.922 35.858 1.0 12.83 ? 90 LYS D C 1 90 . D ATOM 3237 O O . LYS D 1 90 ? 69.239 35.935 35.292 1.0 13.67 ? 90 LYS D O 1 90 . D ATOM 3238 C CB . LYS D 1 90 ? 70.056 37.344 37.957 1.0 12.82 ? 90 LYS D CB 1 90 . D ATOM 3239 C CG . LYS D 1 90 ? 68.876 37.185 38.903 1.0 14.33 ? 90 LYS D CG 1 90 . D ATOM 3240 C CD . LYS D 1 90 ? 69.360 36.881 40.311 1.0 15.44 ? 90 LYS D CD 1 90 . D ATOM 3241 C CE . LYS D 1 90 ? 68.207 36.446 41.200 1.0 15.49 ? 90 LYS D CE 1 90 . D ATOM 3242 N NZ . LYS D 1 90 ? 68.614 36.404 42.633 1.0 16.48 ? 90 LYS D NZ 1 90 . D ATOM 3243 N N . ASP D 1 91 ? 67.457 37.199 35.802 1.0 12.98 ? 91 ASP D N 1 91 . D ATOM 3244 C CA . ASP D 1 91 ? 66.517 36.343 35.097 1.0 13.12 ? 91 ASP D CA 1 91 . D ATOM 3245 C C . ASP D 1 91 ? 66.406 36.722 33.625 1.0 12.99 ? 91 ASP D C 1 91 . D ATOM 3246 O O . ASP D 1 91 ? 65.551 36.208 32.901 1.0 13.49 ? 91 ASP D O 1 91 . D ATOM 3247 C CB . ASP D 1 91 ? 65.153 36.340 35.760 1.0 13.95 ? 91 ASP D CB 1 91 . D ATOM 3248 C CG . ASP D 1 91 ? 64.420 37.655 35.735 1.0 16.1 ? 91 ASP D CG 1 91 . D ATOM 3249 O OD1 . ASP D 1 91 ? 64.968 38.681 35.278 1.0 16.12 ? 91 ASP D OD1 1 91 . D ATOM 3250 O OD2 . ASP D 1 91 ? 63.250 37.675 36.192 1.0 16.97 ? 91 ASP D OD2 1 91 . D ATOM 3251 N N . ARG D 1 92 ? 67.226 37.652 33.173 1.0 12.31 ? 92 ARG D N 1 92 . D ATOM 3252 C CA . ARG D 1 92 ? 67.315 38.109 31.821 1.0 12.25 ? 92 ARG D CA 1 92 . D ATOM 3253 C C . ARG D 1 92 ? 66.288 39.150 31.425 1.0 11.47 ? 92 ARG D C 1 92 . D ATOM 3254 O O . ARG D 1 92 ? 66.266 39.588 30.269 1.0 11.4 ? 92 ARG D O 1 92 . D ATOM 3255 C CB . ARG D 1 92 ? 67.314 36.961 30.803 1.0 14.06 ? 92 ARG D CB 1 92 . D ATOM 3256 C CG . ARG D 1 92 ? 67.993 37.357 29.487 1.0 17.37 ? 92 ARG D CG 1 92 . D ATOM 3257 C CD . ARG D 1 92 ? 68.048 36.170 28.536 1.0 18.73 ? 92 ARG D CD 1 92 . D ATOM 3258 N NE . ARG D 1 92 ? 66.714 35.787 28.095 1.0 21.83 ? 92 ARG D NE 1 92 . D ATOM 3259 C CZ . ARG D 1 92 ? 66.454 34.773 27.279 1.0 24.6 ? 92 ARG D CZ 1 92 . D ATOM 3260 N NH1 . ARG D 1 92 ? 67.446 34.025 26.811 1.0 24.6 ? 92 ARG D NH1 1 92 . D ATOM 3261 N NH2 . ARG D 1 92 ? 65.199 34.507 26.938 1.0 24.95 ? 92 ARG D NH2 1 92 . D ATOM 3262 N N . ASN D 1 93 ? 65.468 39.587 32.364 1.0 11.11 ? 93 ASN D N 1 93 . D ATOM 3263 C CA . ASN D 1 93 ? 64.462 40.605 32.105 1.0 10.73 ? 93 ASN D CA 1 93 . D ATOM 3264 C C . ASN D 1 93 ? 65.022 41.996 32.385 1.0 10.72 ? 93 ASN D C 1 93 . D ATOM 3265 O O . ASN D 1 93 ? 65.766 42.181 33.348 1.0 11.21 ? 93 ASN D O 1 93 . D ATOM 3266 C CB . ASN D 1 93 ? 63.239 40.370 33.005 1.0 9.59 ? 93 ASN D CB 1 93 . D ATOM 3267 C CG . ASN D 1 93 ? 61.970 40.898 32.371 1.0 10.64 ? 93 ASN D CG 1 93 . D ATOM 3268 O OD1 . ASN D 1 93 ? 61.965 41.279 31.200 1.0 11.07 ? 93 ASN D OD1 1 93 . D ATOM 3269 N ND2 . ASN D 1 93 ? 60.887 40.922 33.137 1.0 11.76 ? 93 ASN D ND2 1 93 . D ATOM 3270 N N . VAL D 1 94 ? 64.693 42.950 31.526 1.0 10.7 ? 94 VAL D N 1 94 . D ATOM 3271 C CA . VAL D 1 94 ? 65.129 44.339 31.744 1.0 10.4 ? 94 VAL D CA 1 94 . D ATOM 3272 C C . VAL D 1 94 ? 63.894 45.087 32.257 1.0 10.73 ? 94 VAL D C 1 94 . D ATOM 3273 O O . VAL D 1 94 ? 62.894 45.160 31.543 1.0 10.69 ? 94 VAL D O 1 94 . D ATOM 3274 C CB . VAL D 1 94 ? 65.671 44.999 30.481 1.0 10.18 ? 94 VAL D CB 1 94 . D ATOM 3275 C CG1 . VAL D 1 94 ? 66.103 46.435 30.756 1.0 8.11 ? 94 VAL D CG1 1 94 . D ATOM 3276 C CG2 . VAL D 1 94 ? 66.841 44.205 29.905 1.0 9.56 ? 94 VAL D CG2 1 94 . D ATOM 3277 N N . VAL D 1 95 ? 63.914 45.500 33.518 1.0 10.82 ? 95 VAL D N 1 95 . D ATOM 3278 C CA . VAL D 1 95 ? 62.761 46.141 34.128 1.0 10.54 ? 95 VAL D CA 1 95 . D ATOM 3279 C C . VAL D 1 95 ? 63.066 47.526 34.680 1.0 10.83 ? 95 VAL D C 1 95 . D ATOM 3280 O O . VAL D 1 95 ? 64.156 47.784 35.192 1.0 10.93 ? 95 VAL D O 1 95 . D ATOM 3281 C CB . VAL D 1 95 ? 62.230 45.293 35.319 1.0 10.41 ? 95 VAL D CB 1 95 . D ATOM 3282 C CG1 . VAL D 1 95 ? 60.868 45.790 35.777 1.0 9.36 ? 95 VAL D CG1 1 95 . D ATOM 3283 C CG2 . VAL D 1 95 ? 62.173 43.816 34.986 1.0 10.42 ? 95 VAL D CG2 1 95 . D ATOM 3284 N N . ILE D 1 96 ? 62.059 48.403 34.631 1.0 10.7 ? 96 ILE D N 1 96 . D ATOM 3285 C CA . ILE D 1 96 ? 62.173 49.738 35.212 1.0 9.91 ? 96 ILE D CA 1 96 . D ATOM 3286 C C . ILE D 1 96 ? 61.354 49.739 36.517 1.0 10.13 ? 96 ILE D C 1 96 . D ATOM 3287 O O . ILE D 1 96 ? 60.196 49.314 36.507 1.0 10.04 ? 96 ILE D O 1 96 . D ATOM 3288 C CB . ILE D 1 96 ? 61.654 50.848 34.300 1.0 10.9 ? 96 ILE D CB 1 96 . D ATOM 3289 C CG1 . ILE D 1 96 ? 62.484 50.966 33.021 1.0 10.83 ? 96 ILE D CG1 1 96 . D ATOM 3290 C CG2 . ILE D 1 96 ? 61.623 52.192 35.037 1.0 9.31 ? 96 ILE D CG2 1 96 . D ATOM 3291 C CD1 . ILE D 1 96 ? 61.885 51.899 31.980 1.0 10.36 ? 96 ILE D CD1 1 96 . D ATOM 3292 N N . TYR D 1 97 ? 61.983 50.137 37.610 1.0 9.53 ? 97 TYR D N 1 97 . D ATOM 3293 C CA . TYR D 1 97 ? 61.323 50.184 38.906 1.0 9.26 ? 97 TYR D CA 1 97 . D ATOM 3294 C C . TYR D 1 97 ? 61.338 51.624 39.445 1.0 9.83 ? 97 TYR D C 1 97 . D ATOM 3295 O O . TYR D 1 97 ? 62.282 52.367 39.188 1.0 9.84 ? 97 TYR D O 1 97 . D ATOM 3296 C CB . TYR D 1 97 ? 62.015 49.309 39.946 1.0 8.34 ? 97 TYR D CB 1 97 . D ATOM 3297 C CG . TYR D 1 97 ? 61.956 47.826 39.713 1.0 7.66 ? 97 TYR D CG 1 97 . D ATOM 3298 C CD1 . TYR D 1 97 ? 62.941 47.178 38.977 1.0 7.15 ? 97 TYR D CD1 1 97 . D ATOM 3299 C CD2 . TYR D 1 97 ? 60.935 47.054 40.264 1.0 6.97 ? 97 TYR D CD2 1 97 . D ATOM 3300 C CE1 . TYR D 1 97 ? 62.892 45.811 38.765 1.0 7.69 ? 97 TYR D CE1 1 97 . D ATOM 3301 C CE2 . TYR D 1 97 ? 60.882 45.688 40.060 1.0 6.53 ? 97 TYR D CE2 1 97 . D ATOM 3302 C CZ . TYR D 1 97 ? 61.861 45.072 39.311 1.0 6.99 ? 97 TYR D CZ 1 97 . D ATOM 3303 O OH . TYR D 1 97 ? 61.815 43.711 39.102 1.0 6.0 ? 97 TYR D OH 1 97 . D ATOM 3304 N N . GLY D 1 98 ? 60.323 51.957 40.234 1.0 10.48 ? 98 GLY D N 1 98 . D ATOM 3305 C CA . GLY D 1 98 ? 60.250 53.292 40.821 1.0 11.1 ? 98 GLY D CA 1 98 . D ATOM 3306 C C . GLY D 1 98 ? 58.814 53.631 41.204 1.0 12.71 ? 98 GLY D C 1 98 . D ATOM 3307 O O . GLY D 1 98 ? 57.877 52.961 40.766 1.0 13.43 ? 98 GLY D O 1 98 . D ATOM 3308 N N . THR D 1 99 ? 58.654 54.671 42.020 1.0 13.05 ? 99 THR D N 1 99 . D ATOM 3309 C CA . THR D 1 99 ? 59.812 55.416 42.518 1.0 13.42 ? 99 THR D CA 1 99 . D ATOM 3310 C C . THR D 1 99 ? 60.361 54.738 43.772 1.0 13.91 ? 99 THR D C 1 99 . D ATOM 3311 O O . THR D 1 99 ? 59.950 53.625 44.114 1.0 14.29 ? 99 THR D O 1 99 . D ATOM 3312 C CB . THR D 1 99 ? 59.462 56.876 42.832 1.0 12.8 ? 99 THR D CB 1 99 . D ATOM 3313 O OG1 . THR D 1 99 ? 58.357 56.915 43.752 1.0 15.27 ? 99 THR D OG1 1 99 . D ATOM 3314 C CG2 . THR D 1 99 ? 59.073 57.628 41.573 1.0 12.44 ? 99 THR D CG2 1 99 . D ATOM 3315 N N . ASP D 1 100 ? 61.286 55.407 44.441 1.0 14.48 ? 100 ASP D N 1 100 . D ATOM 3316 C CA . ASP D 1 100 ? 61.878 54.886 45.673 1.0 14.81 ? 100 ASP D CA 1 100 . D ATOM 3317 C C . ASP D 1 100 ? 60.835 54.911 46.789 1.0 15.19 ? 100 ASP D C 1 100 . D ATOM 3318 O O . ASP D 1 100 ? 60.120 55.908 46.944 1.0 15.15 ? 100 ASP D O 1 100 . D ATOM 3319 C CB . ASP D 1 100 ? 63.091 55.732 46.064 1.0 14.48 ? 100 ASP D CB 1 100 . D ATOM 3320 C CG . ASP D 1 100 ? 62.757 57.209 46.140 1.0 15.85 ? 100 ASP D CG 1 100 . D ATOM 3321 O OD1 . ASP D 1 100 ? 62.386 57.795 45.100 1.0 16.74 ? 100 ASP D OD1 1 100 . D ATOM 3322 O OD2 . ASP D 1 100 ? 62.849 57.784 47.243 1.0 17.09 ? 100 ASP D OD2 1 100 . D ATOM 3323 N N . ARG D 1 101 ? 60.733 53.827 47.544 1.0 15.27 ? 101 ARG D N 1 101 . D ATOM 3324 C CA . ARG D 1 101 ? 59.745 53.746 48.613 1.0 16.21 ? 101 ARG D CA 1 101 . D ATOM 3325 C C . ARG D 1 101 ? 60.358 53.902 49.993 1.0 15.47 ? 101 ARG D C 1 101 . D ATOM 3326 O O . ARG D 1 101 ? 59.678 54.294 50.945 1.0 15.87 ? 101 ARG D O 1 101 . D ATOM 3327 C CB . ARG D 1 101 ? 59.006 52.401 48.525 1.0 19.58 ? 101 ARG D CB 1 101 . D ATOM 3328 C CG . ARG D 1 101 ? 58.365 52.140 47.174 1.0 25.17 ? 101 ARG D CG 1 101 . D ATOM 3329 C CD . ARG D 1 101 ? 57.446 53.280 46.771 1.0 29.1 ? 101 ARG D CD 1 101 . D ATOM 3330 N NE . ARG D 1 101 ? 56.858 53.085 45.448 1.0 35.05 ? 101 ARG D NE 1 101 . D ATOM 3331 C CZ . ARG D 1 101 ? 56.129 54.013 44.828 1.0 37.48 ? 101 ARG D CZ 1 101 . D ATOM 3332 N NH1 . ARG D 1 101 ? 55.910 55.188 45.412 1.0 39.25 ? 101 ARG D NH1 1 101 . D ATOM 3333 N NH2 . ARG D 1 101 ? 55.619 53.768 43.629 1.0 38.82 ? 101 ARG D NH2 1 101 . D ATOM 3334 N N . TRP D 1 102 ? 61.632 53.580 50.115 1.0 14.55 ? 102 TRP D N 1 102 . D ATOM 3335 C CA . TRP D 1 102 ? 62.326 53.652 51.408 1.0 14.46 ? 102 TRP D CA 1 102 . D ATOM 3336 C C . TRP D 1 102 ? 63.829 53.650 51.168 1.0 14.9 ? 102 TRP D C 1 102 . D ATOM 3337 O O . TRP D 1 102 ? 64.284 53.191 50.110 1.0 16.0 ? 102 TRP D O 1 102 . D ATOM 3338 C CB . TRP D 1 102 ? 61.895 52.453 52.248 1.0 13.05 ? 102 TRP D CB 1 102 . D ATOM 3339 C CG . TRP D 1 102 ? 62.605 52.266 53.546 1.0 13.29 ? 102 TRP D CG 1 102 . D ATOM 3340 C CD1 . TRP D 1 102 ? 62.222 52.748 54.768 1.0 12.98 ? 102 TRP D CD1 1 102 . D ATOM 3341 C CD2 . TRP D 1 102 ? 63.811 51.523 53.772 1.0 13.07 ? 102 TRP D CD2 1 102 . D ATOM 3342 N NE1 . TRP D 1 102 ? 63.121 52.361 55.733 1.0 13.32 ? 102 TRP D NE1 1 102 . D ATOM 3343 C CE2 . TRP D 1 102 ? 64.105 51.603 55.145 1.0 13.22 ? 102 TRP D CE2 1 102 . D ATOM 3344 C CE3 . TRP D 1 102 ? 64.666 50.790 52.942 1.0 14.22 ? 102 TRP D CE3 1 102 . D ATOM 3345 C CZ2 . TRP D 1 102 ? 65.222 50.988 55.708 1.0 12.56 ? 102 TRP D CZ2 1 102 . D ATOM 3346 C CZ3 . TRP D 1 102 ? 65.767 50.168 53.504 1.0 13.24 ? 102 TRP D CZ3 1 102 . D ATOM 3347 C CH2 . TRP D 1 102 ? 66.039 50.279 54.874 1.0 12.68 ? 102 TRP D CH2 1 102 . D ATOM 3348 N N . ALA D 1 103 ? 64.594 54.173 52.109 1.0 14.79 ? 103 ALA D N 1 103 . D ATOM 3349 C CA . ALA D 1 103 ? 66.046 54.217 51.984 1.0 14.41 ? 103 ALA D CA 1 103 . D ATOM 3350 C C . ALA D 1 103 ? 66.693 54.408 53.352 1.0 14.69 ? 103 ALA D C 1 103 . D ATOM 3351 O O . ALA D 1 103 ? 66.088 54.989 54.252 1.0 14.45 ? 103 ALA D O 1 103 . D ATOM 3352 C CB . ALA D 1 103 ? 66.466 55.349 51.054 1.0 12.53 ? 103 ALA D CB 1 103 . D ATOM 3353 N N . THR D 1 104 ? 67.929 53.937 53.487 1.0 14.99 ? 104 THR D N 1 104 . D ATOM 3354 C CA . THR D 1 104 ? 68.666 54.097 54.736 1.0 15.87 ? 104 THR D CA 1 104 . D ATOM 3355 C C . THR D 1 104 ? 69.134 55.546 54.881 1.0 16.91 ? 104 THR D C 1 104 . D ATOM 3356 O O . THR D 1 104 ? 69.312 56.051 55.985 1.0 17.93 ? 104 THR D O 1 104 . D ATOM 3357 C CB . THR D 1 104 ? 69.894 53.172 54.792 1.0 14.94 ? 104 THR D CB 1 104 . D ATOM 3358 O OG1 . THR D 1 104 ? 70.677 53.352 53.603 1.0 14.86 ? 104 THR D OG1 1 104 . D ATOM 3359 C CG2 . THR D 1 104 ? 69.474 51.718 54.908 1.0 15.17 ? 104 THR D CG2 1 104 . D ATOM 3360 N N . GLY D 1 105 ? 69.356 56.201 53.746 1.0 18.27 ? 105 GLY D N 1 105 . D ATOM 3361 C CA . GLY D 1 105 ? 69.813 57.583 53.723 1.0 19.71 ? 105 GLY D CA 1 105 . D ATOM 3362 C C . GLY D 1 105 ? 71.295 57.655 54.075 1.0 21.52 ? 105 GLY D C 1 105 . D ATOM 3363 O O . GLY D 1 105 ? 71.753 58.604 54.708 1.0 22.59 ? 105 GLY D O 1 105 . D ATOM 3364 N N . THR D 1 106 ? 72.046 56.651 53.637 1.0 22.65 ? 106 THR D N 1 106 . D ATOM 3365 C CA . THR D 1 106 ? 73.474 56.568 53.920 1.0 23.74 ? 106 THR D CA 1 106 . D ATOM 3366 C C . THR D 1 106 ? 74.317 56.858 52.691 1.0 26.07 ? 106 THR D C 1 106 . D ATOM 3367 O O . THR D 1 106 ? 75.470 56.432 52.593 1.0 25.96 ? 106 THR D O 1 106 . D ATOM 3368 C CB . THR D 1 106 ? 73.800 55.135 54.418 1.0 21.95 ? 106 THR D CB 1 106 . D ATOM 3369 O OG1 . THR D 1 106 ? 73.282 54.212 53.450 1.0 20.55 ? 106 THR D OG1 1 106 . D ATOM 3370 C CG2 . THR D 1 106 ? 73.139 54.889 55.761 1.0 21.19 ? 106 THR D CG2 1 106 . D ATOM 3371 N N . HIS D 1 107 ? 73.765 57.606 51.748 1.0 29.92 ? 107 HIS D N 1 107 . D ATOM 3372 C CA . HIS D 1 107 ? 74.432 57.931 50.512 1.0 35.47 ? 107 HIS D CA 1 107 . D ATOM 3373 C C . HIS D 1 107 ? 75.585 58.911 50.674 1.0 39.18 ? 107 HIS D C 1 107 . D ATOM 3374 O O . HIS D 1 107 ? 75.622 59.748 51.565 1.0 39.0 ? 107 HIS D O 1 107 . D ATOM 3375 C CB . HIS D 1 107 ? 73.429 58.486 49.490 1.0 38.58 ? 107 HIS D CB 1 107 . D ATOM 3376 C CG . HIS D 1 107 ? 72.567 59.584 50.027 1.0 42.7 ? 107 HIS D CG 1 107 . D ATOM 3377 N ND1 . HIS D 1 107 ? 72.981 60.894 50.101 1.0 44.46 ? 107 HIS D ND1 1 107 . D ATOM 3378 C CD2 . HIS D 1 107 ? 71.295 59.564 50.503 1.0 44.27 ? 107 HIS D CD2 1 107 . D ATOM 3379 C CE1 . HIS D 1 107 ? 72.007 61.635 50.604 1.0 45.48 ? 107 HIS D CE1 1 107 . D ATOM 3380 N NE2 . HIS D 1 107 ? 70.970 60.852 50.852 1.0 44.72 ? 107 HIS D NE2 1 107 . D ATOM 3381 N N . THR D 1 108 ? 76.558 58.774 49.781 1.0 43.22 ? 108 THR D N 1 108 . D ATOM 3382 C CA . THR D 1 108 ? 77.725 59.626 49.693 1.0 47.76 ? 108 THR D CA 1 108 . D ATOM 3383 C C . THR D 1 108 ? 77.992 59.920 48.205 1.0 50.18 ? 108 THR D C 1 108 . D ATOM 3384 O O . THR D 1 108 ? 77.054 59.863 47.403 1.0 50.78 ? 108 THR D O 1 108 . D ATOM 3385 C CB . THR D 1 108 ? 78.990 59.030 50.314 1.0 48.55 ? 108 THR D CB 1 108 . D ATOM 3386 O OG1 . THR D 1 108 ? 79.107 57.641 49.984 1.0 48.15 ? 108 THR D OG1 1 108 . D ATOM 3387 C CG2 . THR D 1 108 ? 79.009 59.213 51.821 1.0 49.6 ? 108 THR D CG2 1 108 . D ATOM 3388 N N . GLY D 1 109 ? 79.239 60.187 47.852 1.0 52.36 ? 109 GLY D N 1 109 . D ATOM 3389 C CA . GLY D 1 109 ? 79.585 60.469 46.462 1.0 54.27 ? 109 GLY D CA 1 109 . D ATOM 3390 C C . GLY D 1 109 ? 81.028 60.102 46.142 1.0 55.3 ? 109 GLY D C 1 109 . D ATOM 3391 O O . GLY D 1 109 ? 81.623 59.285 46.879 1.0 55.85 ? 109 GLY D O 1 109 . D ATOM 3392 O OXT . GLY D 1 109 ? 81.569 60.631 45.140 1.0 56.21 ? 109 GLY D OXT 1 109 . D HETATM 3393 C C1 . MMA E 2 . ? 69.244 59.469 46.997 1.0 24.47 ? 110 MMA E C1 1 110 . A HETATM 3394 C C2 . MMA E 2 . ? 69.934 58.496 46.037 1.0 23.71 ? 110 MMA E C2 1 110 . A HETATM 3395 C C3 . MMA E 2 . ? 68.926 57.871 45.085 1.0 23.12 ? 110 MMA E C3 1 110 . A HETATM 3396 C C4 . MMA E 2 . ? 67.792 57.226 45.867 1.0 23.15 ? 110 MMA E C4 1 110 . A HETATM 3397 C C5 . MMA E 2 . ? 67.169 58.219 46.842 1.0 23.95 ? 110 MMA E C5 1 110 . A HETATM 3398 C C6 . MMA E 2 . ? 66.184 57.522 47.783 1.0 24.42 ? 110 MMA E C6 1 110 . A HETATM 3399 C C7 . MMA E 2 . ? 68.266 61.668 47.092 1.0 25.83 ? 110 MMA E C7 1 110 . A HETATM 3400 O O1 . MMA E 2 . ? 68.812 60.589 46.304 1.0 24.91 ? 110 MMA E O1 1 110 . A HETATM 3401 O O2 . MMA E 2 . ? 70.577 57.480 46.793 1.0 23.15 ? 110 MMA E O2 1 110 . A HETATM 3402 O O3 . MMA E 2 . ? 69.556 56.861 44.305 1.0 23.25 ? 110 MMA E O3 1 110 . A HETATM 3403 O O4 . MMA E 2 . ? 66.803 56.770 44.951 1.0 22.56 ? 110 MMA E O4 1 110 . A HETATM 3404 O O5 . MMA E 2 . ? 68.148 58.858 47.664 1.0 24.47 ? 110 MMA E O5 1 110 . A HETATM 3405 O O6 . MMA E 2 . ? 65.871 58.372 48.875 1.0 25.34 ? 110 MMA E O6 1 110 . A HETATM 3406 C C1 . MMA F 2 . ? 53.141 44.146 57.305 0.73 21.25 ? 111 MMA F C1 1 111 . A HETATM 3407 C C2 . MMA F 2 . ? 53.317 43.033 56.260 0.73 20.32 ? 111 MMA F C2 1 111 . A HETATM 3408 C C3 . MMA F 2 . ? 53.638 41.721 56.964 0.73 19.63 ? 111 MMA F C3 1 111 . A HETATM 3409 C C4 . MMA F 2 . ? 54.848 41.891 57.869 0.73 19.45 ? 111 MMA F C4 1 111 . A HETATM 3410 C C5 . MMA F 2 . ? 54.620 43.046 58.844 0.73 19.33 ? 111 MMA F C5 1 111 . A HETATM 3411 C C6 . MMA F 2 . ? 55.846 43.344 59.695 0.73 18.55 ? 111 MMA F C6 1 111 . A HETATM 3412 C C7 . MMA F 2 . ? 51.442 44.948 58.806 0.73 25.75 ? 111 MMA F C7 1 111 . A HETATM 3413 O O1 . MMA F 2 . ? 52.066 43.830 58.125 0.73 23.27 ? 111 MMA F O1 1 111 . A HETATM 3414 O O2 . MMA F 2 . ? 54.348 43.403 55.366 0.73 19.45 ? 111 MMA F O2 1 111 . A HETATM 3415 O O3 . MMA F 2 . ? 53.885 40.694 56.021 0.73 20.22 ? 111 MMA F O3 1 111 . A HETATM 3416 O O4 . MMA F 2 . ? 55.068 40.686 58.597 0.73 19.78 ? 111 MMA F O4 1 111 . A HETATM 3417 O O5 . MMA F 2 . ? 54.312 44.255 58.115 0.73 20.41 ? 111 MMA F O5 1 111 . A HETATM 3418 O O6 . MMA F 2 . ? 55.651 44.518 60.473 0.73 16.82 ? 111 MMA F O6 1 111 . A HETATM 3419 C C1 . MMA G 2 . ? 76.048 46.292 67.352 0.57 23.26 ? 112 MMA G C1 1 112 . A HETATM 3420 C C2 . MMA G 2 . ? 76.496 44.926 66.838 0.57 22.1 ? 112 MMA G C2 1 112 . A HETATM 3421 C C3 . MMA G 2 . ? 77.657 45.051 65.863 0.57 21.37 ? 112 MMA G C3 1 112 . A HETATM 3422 C C4 . MMA G 2 . ? 77.410 46.112 64.808 0.57 21.51 ? 112 MMA G C4 1 112 . A HETATM 3423 C C5 . MMA G 2 . ? 76.963 47.430 65.449 0.57 22.35 ? 112 MMA G C5 1 112 . A HETATM 3424 C C6 . MMA G 2 . ? 76.591 48.492 64.431 0.57 22.13 ? 112 MMA G C6 1 112 . A HETATM 3425 C C7 . MMA G 2 . ? 76.886 48.205 68.583 0.57 25.7 ? 112 MMA G C7 1 112 . A HETATM 3426 O O1 . MMA G 2 . ? 77.039 46.829 68.171 0.57 25.05 ? 112 MMA G O1 1 112 . A HETATM 3427 O O2 . MMA G 2 . ? 75.417 44.226 66.240 0.57 20.42 ? 112 MMA G O2 1 112 . A HETATM 3428 O O3 . MMA G 2 . ? 77.879 43.792 65.235 0.57 21.62 ? 112 MMA G O3 1 112 . A HETATM 3429 O O4 . MMA G 2 . ? 78.620 46.340 64.078 0.57 21.1 ? 112 MMA G O4 1 112 . A HETATM 3430 O O5 . MMA G 2 . ? 75.805 47.208 66.279 0.57 22.93 ? 112 MMA G O5 1 112 . A HETATM 3431 O O6 . MMA G 2 . ? 75.666 49.430 64.951 0.57 20.03 ? 112 MMA G O6 1 112 . A HETATM 3432 C C1 . MMA H 2 . ? 95.167 27.482 48.637 0.8 18.09 ? 110 MMA H C1 1 110 . B HETATM 3433 C C2 . MMA H 2 . ? 94.156 27.930 47.585 0.8 18.09 ? 110 MMA H C2 1 110 . B HETATM 3434 C C3 . MMA H 2 . ? 94.813 28.022 46.209 0.8 17.76 ? 110 MMA H C3 1 110 . B HETATM 3435 C C4 . MMA H 2 . ? 96.023 28.949 46.295 0.8 17.59 ? 110 MMA H C4 1 110 . B HETATM 3436 C C5 . MMA H 2 . ? 96.998 28.394 47.334 0.8 17.64 ? 110 MMA H C5 1 110 . B HETATM 3437 C C6 . MMA H 2 . ? 98.202 29.309 47.536 0.8 17.26 ? 110 MMA H C6 1 110 . B HETATM 3438 C C7 . MMA H 2 . ? 95.903 25.458 49.671 0.8 19.07 ? 110 MMA H C7 1 110 . B HETATM 3439 O O1 . MMA H 2 . ? 95.498 26.147 48.453 0.8 18.59 ? 110 MMA H O1 1 110 . B HETATM 3440 O O2 . MMA H 2 . ? 93.639 29.206 47.956 0.8 17.48 ? 110 MMA H O2 1 110 . B HETATM 3441 O O3 . MMA H 2 . ? 93.898 28.543 45.266 0.8 17.64 ? 110 MMA H O3 1 110 . B HETATM 3442 O O4 . MMA H 2 . ? 96.646 29.047 45.032 0.8 17.47 ? 110 MMA H O4 1 110 . B HETATM 3443 O O5 . MMA H 2 . ? 96.355 28.262 48.610 0.8 18.09 ? 110 MMA H O5 1 110 . B HETATM 3444 O O6 . MMA H 2 . ? 99.053 28.771 48.544 0.8 18.17 ? 110 MMA H O6 1 110 . B HETATM 3445 C C1 . MMA I 2 . ? 113.296 44.641 45.689 0.62 30.84 ? 111 MMA I C1 1 111 . B HETATM 3446 C C2 . MMA I 2 . ? 112.757 45.249 44.390 0.62 30.94 ? 111 MMA I C2 1 111 . B HETATM 3447 C C3 . MMA I 2 . ? 112.469 46.731 44.567 0.62 30.26 ? 111 MMA I C3 1 111 . B HETATM 3448 C C4 . MMA I 2 . ? 111.636 47.012 45.800 0.62 29.63 ? 111 MMA I C4 1 111 . B HETATM 3449 C C5 . MMA I 2 . ? 112.149 46.268 47.022 0.62 29.41 ? 111 MMA I C5 1 111 . B HETATM 3450 C C6 . MMA I 2 . ? 111.166 46.331 48.189 0.62 29.64 ? 111 MMA I C6 1 111 . B HETATM 3451 C C7 . MMA I 2 . ? 115.288 45.809 44.982 0.62 33.24 ? 111 MMA I C7 1 111 . B HETATM 3452 O O1 . MMA I 2 . ? 114.496 45.231 46.043 0.62 31.69 ? 111 MMA I O1 1 111 . B HETATM 3453 O O2 . MMA I 2 . ? 111.578 44.558 44.000 0.62 29.37 ? 111 MMA I O2 1 111 . B HETATM 3454 O O3 . MMA I 2 . ? 111.773 47.223 43.421 0.62 30.28 ? 111 MMA I O3 1 111 . B HETATM 3455 O O4 . MMA I 2 . ? 111.675 48.418 46.070 0.62 29.34 ? 111 MMA I O4 1 111 . B HETATM 3456 O O5 . MMA I 2 . ? 112.349 44.871 46.740 0.62 30.52 ? 111 MMA I O5 1 111 . B HETATM 3457 O O6 . MMA I 2 . ? 111.369 45.222 49.059 0.62 29.09 ? 111 MMA I O6 1 111 . B HETATM 3458 C C1 . MMA J 2 . ? 95.739 48.553 63.100 0.55 20.6 ? 112 MMA J C1 1 112 . B HETATM 3459 C C2 . MMA J 2 . ? 94.921 49.519 62.248 0.55 19.58 ? 112 MMA J C2 1 112 . B HETATM 3460 C C3 . MMA J 2 . ? 93.495 49.031 62.039 0.55 19.68 ? 112 MMA J C3 1 112 . B HETATM 3461 C C4 . MMA J 2 . ? 93.475 47.575 61.589 0.55 19.51 ? 112 MMA J C4 1 112 . B HETATM 3462 C C5 . MMA J 2 . ? 94.296 46.727 62.566 0.55 20.19 ? 112 MMA J C5 1 112 . B HETATM 3463 C C6 . MMA J 2 . ? 94.370 45.258 62.192 0.55 19.56 ? 112 MMA J C6 1 112 . B HETATM 3464 C C7 . MMA J 2 . ? 96.148 47.910 65.385 0.55 20.17 ? 112 MMA J C7 1 112 . B HETATM 3465 O O1 . MMA J 2 . ? 95.277 48.535 64.410 0.55 20.95 ? 112 MMA J O1 1 112 . B HETATM 3466 O O2 . MMA J 2 . ? 95.559 49.700 60.990 0.55 18.9 ? 112 MMA J O2 1 112 . B HETATM 3467 O O3 . MMA J 2 . ? 92.849 49.831 61.059 0.55 19.57 ? 112 MMA J O3 1 112 . B HETATM 3468 O O4 . MMA J 2 . ? 92.131 47.112 61.554 0.55 18.56 ? 112 MMA J O4 1 112 . B HETATM 3469 O O5 . MMA J 2 . ? 95.662 47.214 62.585 0.55 20.37 ? 112 MMA J O5 1 112 . B HETATM 3470 O O6 . MMA J 2 . ? 94.987 45.105 60.921 0.55 21.12 ? 112 MMA J O6 1 112 . B HETATM 3471 C C1 . MMA K 2 . ? 99.530 41.179 27.462 0.87 24.79 ? 110 MMA K C1 1 110 . C HETATM 3472 C C2 . MMA K 2 . ? 98.613 41.580 28.623 0.87 24.57 ? 110 MMA K C2 1 110 . C HETATM 3473 C C3 . MMA K 2 . ? 99.105 40.940 29.918 0.87 24.18 ? 110 MMA K C3 1 110 . C HETATM 3474 C C4 . MMA K 2 . ? 99.255 39.441 29.756 0.87 23.8 ? 110 MMA K C4 1 110 . C HETATM 3475 C C5 . MMA K 2 . ? 100.060 39.084 28.510 0.87 24.36 ? 110 MMA K C5 1 110 . C HETATM 3476 C C6 . MMA K 2 . ? 100.008 37.590 28.208 0.87 24.67 ? 110 MMA K C6 1 110 . C HETATM 3477 C C7 . MMA K 2 . ? 101.831 41.274 26.748 0.87 26.88 ? 110 MMA K C7 1 110 . C HETATM 3478 O O1 . MMA K 2 . ? 100.816 41.641 27.708 0.87 25.79 ? 110 MMA K O1 1 110 . C HETATM 3479 O O2 . MMA K 2 . ? 97.283 41.169 28.353 0.87 23.48 ? 110 MMA K O2 1 110 . C HETATM 3480 O O3 . MMA K 2 . ? 98.173 41.218 30.957 0.87 24.67 ? 110 MMA K O3 1 110 . C HETATM 3481 O O4 . MMA K 2 . ? 99.918 38.907 30.903 0.87 23.27 ? 110 MMA K O4 1 110 . C HETATM 3482 O O5 . MMA K 2 . ? 99.566 39.754 27.339 0.87 24.43 ? 110 MMA K O5 1 110 . C HETATM 3483 O O6 . MMA K 2 . ? 100.594 37.314 26.947 0.87 26.28 ? 110 MMA K O6 1 110 . C HETATM 3484 C C1 . MMA L 2 . ? 98.428 16.371 28.444 0.47 12.11 ? 111 MMA L C1 1 111 . C HETATM 3485 C C2 . MMA L 2 . ? 97.833 16.363 29.854 0.47 12.16 ? 111 MMA L C2 1 111 . C HETATM 3486 C C3 . MMA L 2 . ? 96.486 15.656 29.889 0.47 12.78 ? 111 MMA L C3 1 111 . C HETATM 3487 C C4 . MMA L 2 . ? 95.569 16.190 28.792 0.47 12.42 ? 111 MMA L C4 1 111 . C HETATM 3488 C C5 . MMA L 2 . ? 96.288 16.026 27.443 0.47 12.45 ? 111 MMA L C5 1 111 . C HETATM 3489 C C6 . MMA L 2 . ? 95.451 16.416 26.257 0.47 11.82 ? 111 MMA L C6 1 111 . C HETATM 3490 C C7 . MMA L 2 . ? 99.313 14.903 26.741 0.47 9.56 ? 111 MMA L C7 1 111 . C HETATM 3491 O O1 . MMA L 2 . ? 98.812 15.083 28.085 0.47 11.89 ? 111 MMA L O1 1 111 . C HETATM 3492 O O2 . MMA L 2 . ? 97.712 17.688 30.344 0.47 10.74 ? 111 MMA L O2 1 111 . C HETATM 3493 O O3 . MMA L 2 . ? 95.862 15.802 31.148 0.47 12.59 ? 111 MMA L O3 1 111 . C HETATM 3494 O O4 . MMA L 2 . ? 94.359 15.452 28.779 0.47 12.66 ? 111 MMA L O4 1 111 . C HETATM 3495 O O5 . MMA L 2 . ? 97.484 16.842 27.465 0.47 12.0 ? 111 MMA L O5 1 111 . C HETATM 3496 O O6 . MMA L 2 . ? 96.053 17.423 25.469 0.47 12.38 ? 111 MMA L O6 1 111 . C HETATM 3497 C C1 . MMA M 2 . ? 81.458 28.329 14.866 0.76 32.27 ? 112 MMA M C1 1 112 . C HETATM 3498 C C2 . MMA M 2 . ? 80.392 28.190 15.954 0.76 30.85 ? 112 MMA M C2 1 112 . C HETATM 3499 C C3 . MMA M 2 . ? 79.887 29.552 16.415 0.76 30.11 ? 112 MMA M C3 1 112 . C HETATM 3500 C C4 . MMA M 2 . ? 81.051 30.468 16.766 0.76 30.07 ? 112 MMA M C4 1 112 . C HETATM 3501 C C5 . MMA M 2 . ? 82.002 30.565 15.566 0.76 29.93 ? 112 MMA M C5 1 112 . C HETATM 3502 C C6 . MMA M 2 . ? 83.206 31.444 15.843 0.76 28.54 ? 112 MMA M C6 1 112 . C HETATM 3503 C C7 . MMA M 2 . ? 81.546 28.433 12.459 0.76 35.78 ? 112 MMA M C7 1 112 . C HETATM 3504 O O1 . MMA M 2 . ? 80.876 28.789 13.691 0.76 34.1 ? 112 MMA M O1 1 112 . C HETATM 3505 O O2 . MMA M 2 . ? 80.913 27.452 17.044 0.76 28.58 ? 112 MMA M O2 1 112 . C HETATM 3506 O O3 . MMA M 2 . ? 79.034 29.402 17.540 0.76 29.81 ? 112 MMA M O3 1 112 . C HETATM 3507 O O4 . MMA M 2 . ? 80.584 31.760 17.108 0.76 29.1 ? 112 MMA M O4 1 112 . C HETATM 3508 O O5 . MMA M 2 . ? 82.490 29.244 15.247 0.76 31.78 ? 112 MMA M O5 1 112 . C HETATM 3509 O O6 . MMA M 2 . ? 84.388 30.886 15.293 0.76 27.92 ? 112 MMA M O6 1 112 . C HETATM 3510 C C1 . MMA N 2 . ? 59.004 39.077 35.874 0.92 23.03 ? 110 MMA N C1 1 110 . D HETATM 3511 C C2 . MMA N 2 . ? 60.255 39.156 36.757 0.92 22.0 ? 110 MMA N C2 1 110 . D HETATM 3512 C C3 . MMA N 2 . ? 60.108 40.292 37.771 0.92 21.5 ? 110 MMA N C3 1 110 . D HETATM 3513 C C4 . MMA N 2 . ? 59.825 41.589 37.020 0.92 21.45 ? 110 MMA N C4 1 110 . D HETATM 3514 C C5 . MMA N 2 . ? 58.567 41.414 36.168 0.92 22.1 ? 110 MMA N C5 1 110 . D HETATM 3515 C C6 . MMA N 2 . ? 58.231 42.656 35.362 0.92 22.72 ? 110 MMA N C6 1 110 . D HETATM 3516 C C7 . MMA N 2 . ? 56.920 37.887 36.051 0.92 24.17 ? 110 MMA N C7 1 110 . D HETATM 3517 O O1 . MMA N 2 . ? 57.897 38.770 36.654 0.92 23.93 ? 110 MMA N O1 1 110 . D HETATM 3518 O O2 . MMA N 2 . ? 61.384 39.417 35.930 0.92 21.72 ? 110 MMA N O2 1 110 . D HETATM 3519 O O3 . MMA N 2 . ? 61.302 40.429 38.519 0.92 21.75 ? 110 MMA N O3 1 110 . D HETATM 3520 O O4 . MMA N 2 . ? 59.657 42.656 37.929 0.92 21.19 ? 110 MMA N O4 1 110 . D HETATM 3521 O O5 . MMA N 2 . ? 58.761 40.336 35.226 0.92 22.63 ? 110 MMA N O5 1 110 . D HETATM 3522 O O6 . MMA N 2 . ? 57.071 42.432 34.573 0.92 24.68 ? 110 MMA N O6 1 110 . D HETATM 3523 C C1 . MMA O 2 . ? 57.870 62.418 27.165 0.59 25.69 ? 111 MMA O C1 1 111 . D HETATM 3524 C C2 . MMA O 2 . ? 59.070 62.986 27.922 0.59 25.96 ? 111 MMA O C2 1 111 . D HETATM 3525 C C3 . MMA O 2 . ? 60.137 63.505 26.970 0.59 25.75 ? 111 MMA O C3 1 111 . D HETATM 3526 C C4 . MMA O 2 . ? 60.537 62.420 25.986 0.59 25.89 ? 111 MMA O C4 1 111 . D HETATM 3527 C C5 . MMA O 2 . ? 59.320 61.877 25.242 0.59 25.96 ? 111 MMA O C5 1 111 . D HETATM 3528 C C6 . MMA O 2 . ? 59.659 60.555 24.528 0.59 24.54 ? 111 MMA O C6 1 111 . D HETATM 3529 C C7 . MMA O 2 . ? 56.579 63.468 25.408 0.59 24.04 ? 111 MMA O C7 1 111 . D HETATM 3530 O O1 . MMA O 2 . ? 57.036 63.460 26.774 0.59 24.87 ? 111 MMA O O1 1 111 . D HETATM 3531 O O2 . MMA O 2 . ? 59.620 61.994 28.777 0.59 24.61 ? 111 MMA O O2 1 111 . D HETATM 3532 O O3 . MMA O 2 . ? 61.284 63.927 27.704 0.59 24.85 ? 111 MMA O O3 1 111 . D HETATM 3533 O O4 . MMA O 2 . ? 61.483 62.964 25.059 0.59 24.24 ? 111 MMA O O4 1 111 . D HETATM 3534 O O5 . MMA O 2 . ? 58.204 61.605 26.071 0.59 25.86 ? 111 MMA O O5 1 111 . D HETATM 3535 O O6 . MMA O 2 . ? 58.896 60.441 23.334 0.59 25.48 ? 111 MMA O O6 1 111 . D HETATM 3536 C C1 . MMA P 2 . ? 70.044 44.947 13.470 0.89 17.58 ? 112 MMA P C1 1 112 . D HETATM 3537 C C2 . MMA P 2 . ? 71.414 45.419 13.947 0.89 17.64 ? 112 MMA P C2 1 112 . D HETATM 3538 C C3 . MMA P 2 . ? 72.179 44.322 14.677 0.89 17.37 ? 112 MMA P C3 1 112 . D HETATM 3539 C C4 . MMA P 2 . ? 71.313 43.618 15.699 0.89 17.07 ? 112 MMA P C4 1 112 . D HETATM 3540 C C5 . MMA P 2 . ? 69.985 43.159 15.080 0.89 17.05 ? 112 MMA P C5 1 112 . D HETATM 3541 C C6 . MMA P 2 . ? 69.089 42.533 16.131 0.89 16.64 ? 112 MMA P C6 1 112 . D HETATM 3542 C C7 . MMA P 2 . ? 69.004 43.562 11.785 0.89 16.8 ? 112 MMA P C7 1 112 . D HETATM 3543 O O1 . MMA P 2 . ? 70.198 44.060 12.414 0.89 17.51 ? 112 MMA P O1 1 112 . D HETATM 3544 O O2 . MMA P 2 . ? 71.268 46.553 14.795 0.89 17.79 ? 112 MMA P O2 1 112 . D HETATM 3545 O O3 . MMA P 2 . ? 73.295 44.916 15.354 0.89 17.46 ? 112 MMA P O3 1 112 . D HETATM 3546 O O4 . MMA P 2 . ? 71.977 42.479 16.228 0.89 17.16 ? 112 MMA P O4 1 112 . D HETATM 3547 O O5 . MMA P 2 . ? 69.305 44.293 14.512 0.89 17.78 ? 112 MMA P O5 1 112 . D HETATM 3548 O O6 . MMA P 2 . ? 67.723 42.587 15.788 0.89 16.46 ? 112 MMA P O6 1 112 . D HETATM 3549 O O . HOH Q 3 . ? 70.342 38.118 43.688 1.0 33.39 ? 113 HOH Q O 1 113 . A HETATM 3550 O O . HOH Q 3 . ? 69.693 37.553 46.771 1.0 34.15 ? 114 HOH Q O 1 114 . A HETATM 3551 O O . HOH Q 3 . ? 69.253 35.562 48.669 1.0 32.77 ? 115 HOH Q O 1 115 . A HETATM 3552 O O . HOH Q 3 . ? 72.302 35.281 48.572 1.0 50.92 ? 116 HOH Q O 1 116 . A HETATM 3553 O O . HOH Q 3 . ? 73.399 37.576 47.842 1.0 49.24 ? 117 HOH Q O 1 117 . A HETATM 3554 O O . HOH Q 3 . ? 75.324 36.162 50.884 1.0 22.95 ? 118 HOH Q O 1 118 . A HETATM 3555 O O . HOH Q 3 . ? 72.135 30.809 49.958 1.0 30.05 ? 119 HOH Q O 1 119 . A HETATM 3556 O O . HOH Q 3 . ? 71.931 32.848 46.918 1.0 55.74 ? 120 HOH Q O 1 120 . A HETATM 3557 O O . HOH Q 3 . ? 68.506 32.821 51.278 1.0 26.4 ? 121 HOH Q O 1 121 . A HETATM 3558 O O . HOH Q 3 . ? 67.764 31.349 48.919 1.0 54.26 ? 122 HOH Q O 1 122 . A HETATM 3559 O O . HOH Q 3 . ? 65.831 33.470 48.504 1.0 38.43 ? 123 HOH Q O 1 123 . A HETATM 3560 O O . HOH Q 3 . ? 63.905 32.911 45.275 1.0 44.05 ? 124 HOH Q O 1 124 . A HETATM 3561 O O . HOH Q 3 . ? 60.571 39.896 41.743 1.0 27.14 ? 125 HOH Q O 1 125 . A HETATM 3562 O O . HOH Q 3 . ? 61.431 42.156 41.581 1.0 8.46 ? 126 HOH Q O 1 126 . A HETATM 3563 O O . HOH Q 3 . ? 57.927 39.677 43.213 1.0 29.97 ? 127 HOH Q O 1 127 . A HETATM 3564 O O . HOH Q 3 . ? 53.222 39.959 42.878 1.0 39.94 ? 128 HOH Q O 1 128 . A HETATM 3565 O O . HOH Q 3 . ? 52.295 41.751 39.692 1.0 50.65 ? 129 HOH Q O 1 129 . A HETATM 3566 O O . HOH Q 3 . ? 51.693 46.080 40.665 1.0 39.67 ? 130 HOH Q O 1 130 . A HETATM 3567 O O . HOH Q 3 . ? 51.626 50.574 40.779 1.0 43.27 ? 131 HOH Q O 1 131 . A HETATM 3568 O O . HOH Q 3 . ? 55.193 50.132 48.711 1.0 51.54 ? 132 HOH Q O 1 132 . A HETATM 3569 O O . HOH Q 3 . ? 64.787 52.774 59.880 1.0 48.73 ? 133 HOH Q O 1 133 . A HETATM 3570 O O . HOH Q 3 . ? 67.378 52.784 62.323 1.0 42.3 ? 134 HOH Q O 1 134 . A HETATM 3571 O O . HOH Q 3 . ? 72.556 56.260 59.954 1.0 40.4 ? 135 HOH Q O 1 135 . A HETATM 3572 O O . HOH Q 3 . ? 77.585 57.052 59.471 1.0 49.3 ? 136 HOH Q O 1 136 . A HETATM 3573 O O . HOH Q 3 . ? 81.924 57.988 56.452 1.0 53.59 ? 137 HOH Q O 1 137 . A HETATM 3574 O O . HOH Q 3 . ? 84.961 52.822 56.406 1.0 23.42 ? 138 HOH Q O 1 138 . A HETATM 3575 O O . HOH Q 3 . ? 85.514 52.154 61.984 1.0 45.96 ? 139 HOH Q O 1 139 . A HETATM 3576 O O . HOH Q 3 . ? 82.890 50.515 65.319 1.0 45.79 ? 140 HOH Q O 1 140 . A HETATM 3577 O O . HOH Q 3 . ? 78.057 43.478 43.465 1.0 36.78 ? 141 HOH Q O 1 141 . A HETATM 3578 O O . HOH Q 3 . ? 75.401 48.562 43.543 1.0 47.49 ? 142 HOH Q O 1 142 . A HETATM 3579 O O . HOH Q 3 . ? 78.721 49.731 38.770 1.0 37.89 ? 143 HOH Q O 1 143 . A HETATM 3580 O O . HOH Q 3 . ? 80.769 46.539 38.924 1.0 53.44 ? 144 HOH Q O 1 144 . A HETATM 3581 O O . HOH Q 3 . ? 72.319 58.785 39.863 1.0 49.65 ? 145 HOH Q O 1 145 . A HETATM 3582 O O . HOH Q 3 . ? 71.889 58.035 42.156 1.0 45.84 ? 146 HOH Q O 1 146 . A HETATM 3583 O O . HOH Q 3 . ? 68.994 61.408 43.568 1.0 38.25 ? 147 HOH Q O 1 147 . A HETATM 3584 O O . HOH Q 3 . ? 64.148 60.611 48.359 1.0 40.56 ? 148 HOH Q O 1 148 . A HETATM 3585 O O . HOH Q 3 . ? 67.964 58.843 50.855 1.0 20.98 ? 149 HOH Q O 1 149 . A HETATM 3586 O O . HOH Q 3 . ? 73.732 59.689 44.354 1.0 44.18 ? 150 HOH Q O 1 150 . A HETATM 3587 O O . HOH Q 3 . ? 78.023 57.344 42.857 1.0 45.56 ? 151 HOH Q O 1 151 . A HETATM 3588 O O . HOH Q 3 . ? 81.501 53.441 45.054 1.0 49.78 ? 152 HOH Q O 1 152 . A HETATM 3589 O O . HOH Q 3 . ? 80.872 52.770 41.522 1.0 43.29 ? 153 HOH Q O 1 153 . A HETATM 3590 O O . HOH Q 3 . ? 53.729 52.381 34.111 1.0 49.56 ? 154 HOH Q O 1 154 . A HETATM 3591 O O . HOH Q 3 . ? 54.389 47.063 34.255 1.0 34.94 ? 155 HOH Q O 1 155 . A HETATM 3592 O O . HOH Q 3 . ? 56.416 45.429 33.831 1.0 36.11 ? 156 HOH Q O 1 156 . A HETATM 3593 O O . HOH Q 3 . ? 55.838 46.645 29.918 1.0 36.1 ? 157 HOH Q O 1 157 . A HETATM 3594 O O . HOH Q 3 . ? 70.661 40.575 40.114 1.0 22.28 ? 158 HOH Q O 1 158 . A HETATM 3595 O O . HOH Q 3 . ? 73.442 42.571 40.274 1.0 47.08 ? 159 HOH Q O 1 159 . A HETATM 3596 O O . HOH Q 3 . ? 84.945 53.821 46.672 1.0 48.92 ? 160 HOH Q O 1 160 . A HETATM 3597 O O . HOH Q 3 . ? 82.707 50.641 47.446 1.0 41.35 ? 161 HOH Q O 1 161 . A HETATM 3598 O O . HOH Q 3 . ? 75.691 58.918 55.972 1.0 38.6 ? 162 HOH Q O 1 162 . A HETATM 3599 O O . HOH Q 3 . ? 73.519 48.504 66.228 1.0 33.68 ? 163 HOH Q O 1 163 . A HETATM 3600 O O . HOH Q 3 . ? 71.754 46.666 68.463 1.0 18.08 ? 164 HOH Q O 1 164 . A HETATM 3601 O O . HOH Q 3 . ? 73.964 39.533 70.785 1.0 47.41 ? 165 HOH Q O 1 165 . A HETATM 3602 O O . HOH Q 3 . ? 77.675 36.452 68.235 1.0 53.0 ? 166 HOH Q O 1 166 . A HETATM 3603 O O . HOH Q 3 . ? 68.547 32.724 59.167 1.0 26.94 ? 167 HOH Q O 1 167 . A HETATM 3604 O O . HOH Q 3 . ? 66.011 30.556 60.515 1.0 34.91 ? 168 HOH Q O 1 168 . A HETATM 3605 O O . HOH Q 3 . ? 66.277 31.391 56.395 1.0 35.75 ? 169 HOH Q O 1 169 . A HETATM 3606 O O . HOH Q 3 . ? 60.446 37.295 50.676 1.0 27.17 ? 170 HOH Q O 1 170 . A HETATM 3607 O O . HOH Q 3 . ? 56.781 37.765 50.184 1.0 25.79 ? 171 HOH Q O 1 171 . A HETATM 3608 O O . HOH Q 3 . ? 57.630 37.116 54.185 1.0 53.21 ? 172 HOH Q O 1 172 . A HETATM 3609 O O . HOH Q 3 . ? 55.207 47.010 59.038 1.0 24.7 ? 173 HOH Q O 1 173 . A HETATM 3610 O O . HOH Q 3 . ? 53.291 48.563 56.494 1.0 33.07 ? 174 HOH Q O 1 174 . A HETATM 3611 O O . HOH Q 3 . ? 57.527 45.335 62.016 1.0 47.89 ? 175 HOH Q O 1 175 . A HETATM 3612 O O . HOH Q 3 . ? 58.092 47.754 62.485 1.0 31.82 ? 176 HOH Q O 1 176 . A HETATM 3613 O O . HOH Q 3 . ? 62.320 47.255 65.520 1.0 27.32 ? 177 HOH Q O 1 177 . A HETATM 3614 O O . HOH Q 3 . ? 61.196 43.923 68.050 1.0 34.68 ? 178 HOH Q O 1 178 . A HETATM 3615 O O . HOH Q 3 . ? 59.023 42.088 67.630 1.0 34.97 ? 179 HOH Q O 1 179 . A HETATM 3616 O O . HOH Q 3 . ? 59.466 34.623 69.171 1.0 35.07 ? 180 HOH Q O 1 180 . A HETATM 3617 O O . HOH Q 3 . ? 60.307 33.029 70.807 1.0 48.7 ? 181 HOH Q O 1 181 . A HETATM 3618 O O . HOH Q 3 . ? 62.153 32.685 68.281 1.0 39.43 ? 182 HOH Q O 1 182 . A HETATM 3619 O O . HOH Q 3 . ? 57.415 30.989 69.868 1.0 47.71 ? 183 HOH Q O 1 183 . A HETATM 3620 O O . HOH Q 3 . ? 47.319 48.382 47.282 1.0 45.37 ? 184 HOH Q O 1 184 . A HETATM 3621 O O . HOH Q 3 . ? 57.768 47.218 25.983 1.0 54.03 ? 185 HOH Q O 1 185 . A HETATM 3622 O O . HOH R 3 . ? 84.484 44.376 64.915 1.0 46.18 ? 113 HOH R O 1 113 . B HETATM 3623 O O . HOH R 3 . ? 86.727 42.454 64.526 1.0 44.12 ? 114 HOH R O 1 114 . B HETATM 3624 O O . HOH R 3 . ? 87.599 45.904 63.207 1.0 44.14 ? 115 HOH R O 1 115 . B HETATM 3625 O O . HOH R 3 . ? 89.952 38.571 63.721 1.0 43.89 ? 116 HOH R O 1 116 . B HETATM 3626 O O . HOH R 3 . ? 87.907 33.317 60.644 1.0 50.74 ? 117 HOH R O 1 117 . B HETATM 3627 O O . HOH R 3 . ? 83.153 37.913 60.149 1.0 46.53 ? 118 HOH R O 1 118 . B HETATM 3628 O O . HOH R 3 . ? 80.051 41.525 61.196 1.0 40.68 ? 119 HOH R O 1 119 . B HETATM 3629 O O . HOH R 3 . ? 81.803 35.825 55.377 1.0 54.27 ? 120 HOH R O 1 120 . B HETATM 3630 O O . HOH R 3 . ? 83.057 33.172 53.832 1.0 38.26 ? 121 HOH R O 1 121 . B HETATM 3631 O O . HOH R 3 . ? 82.692 36.768 50.593 1.0 20.43 ? 122 HOH R O 1 122 . B HETATM 3632 O O . HOH R 3 . ? 80.558 38.409 44.683 1.0 44.87 ? 123 HOH R O 1 123 . B HETATM 3633 O O . HOH R 3 . ? 81.794 40.848 42.844 1.0 41.38 ? 124 HOH R O 1 124 . B HETATM 3634 O O . HOH R 3 . ? 84.540 41.559 42.578 1.0 29.45 ? 125 HOH R O 1 125 . B HETATM 3635 O O . HOH R 3 . ? 81.615 44.893 43.852 1.0 42.82 ? 126 HOH R O 1 126 . B HETATM 3636 O O . HOH R 3 . ? 85.266 47.996 40.707 1.0 51.79 ? 127 HOH R O 1 127 . B HETATM 3637 O O . HOH R 3 . ? 78.059 35.862 42.898 1.0 39.45 ? 128 HOH R O 1 128 . B HETATM 3638 O O . HOH R 3 . ? 83.237 33.186 41.647 1.0 41.54 ? 129 HOH R O 1 129 . B HETATM 3639 O O . HOH R 3 . ? 89.490 29.583 45.001 1.0 38.08 ? 130 HOH R O 1 130 . B HETATM 3640 O O . HOH R 3 . ? 93.225 26.216 43.281 1.0 39.59 ? 131 HOH R O 1 131 . B HETATM 3641 O O . HOH R 3 . ? 98.698 31.029 21.700 1.0 53.01 ? 132 HOH R O 1 132 . B HETATM 3642 O O . HOH R 3 . ? 101.049 40.887 21.868 1.0 54.69 ? 133 HOH R O 1 133 . B HETATM 3643 O O . HOH R 3 . ? 94.357 44.139 32.324 1.0 31.53 ? 134 HOH R O 1 134 . B HETATM 3644 O O . HOH R 3 . ? 97.490 44.630 32.281 1.0 42.9 ? 135 HOH R O 1 135 . B HETATM 3645 O O . HOH R 3 . ? 99.740 43.191 33.247 1.0 34.36 ? 136 HOH R O 1 136 . B HETATM 3646 O O . HOH R 3 . ? 102.938 43.436 33.324 1.0 29.98 ? 137 HOH R O 1 137 . B HETATM 3647 O O . HOH R 3 . ? 102.926 46.144 32.648 1.0 48.59 ? 138 HOH R O 1 138 . B HETATM 3648 O O . HOH R 3 . ? 99.500 47.084 34.003 1.0 31.1 ? 139 HOH R O 1 139 . B HETATM 3649 O O . HOH R 3 . ? 96.723 47.070 33.912 1.0 36.8 ? 140 HOH R O 1 140 . B HETATM 3650 O O . HOH R 3 . ? 96.926 51.781 38.854 1.0 37.56 ? 141 HOH R O 1 141 . B HETATM 3651 O O . HOH R 3 . ? 96.253 53.922 41.697 1.0 38.03 ? 142 HOH R O 1 142 . B HETATM 3652 O O . HOH R 3 . ? 88.793 54.122 41.624 1.0 50.91 ? 143 HOH R O 1 143 . B HETATM 3653 O O . HOH R 3 . ? 88.156 54.118 46.002 1.0 41.06 ? 144 HOH R O 1 144 . B HETATM 3654 O O . HOH R 3 . ? 88.089 53.198 50.390 1.0 45.91 ? 145 HOH R O 1 145 . B HETATM 3655 O O . HOH R 3 . ? 88.958 50.731 44.797 1.0 47.9 ? 146 HOH R O 1 146 . B HETATM 3656 O O . HOH R 3 . ? 91.694 45.468 37.782 1.0 36.32 ? 147 HOH R O 1 147 . B HETATM 3657 O O . HOH R 3 . ? 90.086 42.404 35.730 1.0 20.9 ? 148 HOH R O 1 148 . B HETATM 3658 O O . HOH R 3 . ? 82.285 43.442 47.592 1.0 18.41 ? 149 HOH R O 1 149 . B HETATM 3659 O O . HOH R 3 . ? 91.685 54.761 54.988 1.0 44.4 ? 150 HOH R O 1 150 . B HETATM 3660 O O . HOH R 3 . ? 92.906 53.997 58.337 1.0 45.65 ? 151 HOH R O 1 151 . B HETATM 3661 O O . HOH R 3 . ? 98.347 50.896 64.183 1.0 50.22 ? 152 HOH R O 1 152 . B HETATM 3662 O O . HOH R 3 . ? 99.577 47.912 62.799 1.0 30.14 ? 153 HOH R O 1 153 . B HETATM 3663 O O . HOH R 3 . ? 97.111 45.195 62.589 1.0 38.32 ? 154 HOH R O 1 154 . B HETATM 3664 O O . HOH R 3 . ? 97.823 40.608 62.416 1.0 33.04 ? 155 HOH R O 1 155 . B HETATM 3665 O O . HOH R 3 . ? 98.886 39.274 60.203 1.0 39.28 ? 156 HOH R O 1 156 . B HETATM 3666 O O . HOH R 3 . ? 101.343 39.512 58.890 1.0 28.36 ? 157 HOH R O 1 157 . B HETATM 3667 O O . HOH R 3 . ? 106.676 39.273 53.669 1.0 26.18 ? 158 HOH R O 1 158 . B HETATM 3668 O O . HOH R 3 . ? 111.322 36.473 53.254 1.0 35.3 ? 159 HOH R O 1 159 . B HETATM 3669 O O . HOH R 3 . ? 111.780 42.344 48.863 1.0 22.01 ? 160 HOH R O 1 160 . B HETATM 3670 O O . HOH R 3 . ? 112.407 39.935 46.323 1.0 37.1 ? 161 HOH R O 1 161 . B HETATM 3671 O O . HOH R 3 . ? 115.327 37.291 46.047 1.0 45.06 ? 162 HOH R O 1 162 . B HETATM 3672 O O . HOH R 3 . ? 108.198 35.341 41.010 1.0 40.5 ? 163 HOH R O 1 163 . B HETATM 3673 O O . HOH R 3 . ? 109.521 31.564 33.337 1.0 42.01 ? 164 HOH R O 1 164 . B HETATM 3674 O O . HOH R 3 . ? 103.631 27.014 29.572 1.0 47.85 ? 165 HOH R O 1 165 . B HETATM 3675 O O . HOH R 3 . ? 100.460 31.212 23.684 1.0 35.93 ? 166 HOH R O 1 166 . B HETATM 3676 O O . HOH R 3 . ? 104.740 40.929 27.765 1.0 49.5 ? 167 HOH R O 1 167 . B HETATM 3677 O O . HOH R 3 . ? 106.902 47.453 38.135 1.0 34.92 ? 168 HOH R O 1 168 . B HETATM 3678 O O . HOH R 3 . ? 106.745 49.507 41.513 1.0 43.47 ? 169 HOH R O 1 169 . B HETATM 3679 O O . HOH R 3 . ? 103.342 48.571 39.910 1.0 27.26 ? 170 HOH R O 1 170 . B HETATM 3680 O O . HOH R 3 . ? 111.493 45.028 52.332 1.0 38.3 ? 171 HOH R O 1 171 . B HETATM 3681 O O . HOH R 3 . ? 97.945 29.051 50.922 1.0 29.11 ? 172 HOH R O 1 172 . B HETATM 3682 O O . HOH R 3 . ? 94.563 28.244 41.632 1.0 16.51 ? 173 HOH R O 1 173 . B HETATM 3683 O O . HOH R 3 . ? 107.443 60.079 53.441 1.0 43.64 ? 174 HOH R O 1 174 . B HETATM 3684 O O . HOH R 3 . ? 100.837 54.975 66.008 1.0 50.23 ? 175 HOH R O 1 175 . B HETATM 3685 O O . HOH S 3 . ? 76.932 31.137 21.581 1.0 37.01 ? 113 HOH S O 1 113 . C HETATM 3686 O O . HOH S 3 . ? 74.917 29.620 24.375 1.0 52.46 ? 114 HOH S O 1 114 . C HETATM 3687 O O . HOH S 3 . ? 75.951 27.227 23.909 1.0 34.85 ? 115 HOH S O 1 115 . C HETATM 3688 O O . HOH S 3 . ? 74.661 24.559 25.796 1.0 50.13 ? 116 HOH S O 1 116 . C HETATM 3689 O O . HOH S 3 . ? 75.194 29.769 27.805 1.0 41.92 ? 117 HOH S O 1 117 . C HETATM 3690 O O . HOH S 3 . ? 81.764 46.239 33.573 1.0 46.85 ? 118 HOH S O 1 118 . C HETATM 3691 O O . HOH S 3 . ? 83.735 46.910 31.357 1.0 46.17 ? 119 HOH S O 1 119 . C HETATM 3692 O O . HOH S 3 . ? 84.107 45.063 28.697 1.0 21.62 ? 120 HOH S O 1 120 . C HETATM 3693 O O . HOH S 3 . ? 83.674 46.603 26.617 1.0 32.5 ? 121 HOH S O 1 121 . C HETATM 3694 O O . HOH S 3 . ? 82.678 46.239 24.241 1.0 38.85 ? 122 HOH S O 1 122 . C HETATM 3695 O O . HOH S 3 . ? 76.841 44.411 18.225 1.0 35.86 ? 123 HOH S O 1 123 . C HETATM 3696 O O . HOH S 3 . ? 75.575 43.080 15.994 1.0 37.07 ? 124 HOH S O 1 124 . C HETATM 3697 O O . HOH S 3 . ? 78.999 44.073 16.334 1.0 53.77 ? 125 HOH S O 1 125 . C HETATM 3698 O O . HOH S 3 . ? 81.988 43.770 19.626 1.0 37.66 ? 126 HOH S O 1 126 . C HETATM 3699 O O . HOH S 3 . ? 87.861 43.961 17.541 1.0 30.24 ? 127 HOH S O 1 127 . C HETATM 3700 O O . HOH S 3 . ? 85.903 46.286 23.861 1.0 45.22 ? 128 HOH S O 1 128 . C HETATM 3701 O O . HOH S 3 . ? 89.330 46.057 27.089 1.0 36.89 ? 129 HOH S O 1 129 . C HETATM 3702 O O . HOH S 3 . ? 91.776 47.925 29.987 1.0 49.97 ? 130 HOH S O 1 130 . C HETATM 3703 O O . HOH S 3 . ? 91.315 50.025 34.752 1.0 51.48 ? 131 HOH S O 1 131 . C HETATM 3704 O O . HOH S 3 . ? 87.385 47.082 30.982 1.0 42.6 ? 132 HOH S O 1 132 . C HETATM 3705 O O . HOH S 3 . ? 83.859 49.090 29.091 1.0 52.34 ? 133 HOH S O 1 133 . C HETATM 3706 O O . HOH S 3 . ? 81.464 48.535 35.971 1.0 47.77 ? 134 HOH S O 1 134 . C HETATM 3707 O O . HOH S 3 . ? 81.565 42.513 34.571 1.0 33.86 ? 135 HOH S O 1 135 . C HETATM 3708 O O . HOH S 3 . ? 78.393 40.026 35.855 1.0 27.58 ? 136 HOH S O 1 136 . C HETATM 3709 O O . HOH S 3 . ? 78.403 38.314 24.884 1.0 50.97 ? 137 HOH S O 1 137 . C HETATM 3710 O O . HOH S 3 . ? 74.326 38.804 16.938 1.0 28.61 ? 138 HOH S O 1 138 . C HETATM 3711 O O . HOH S 3 . ? 85.788 31.146 39.696 1.0 28.94 ? 139 HOH S O 1 139 . C HETATM 3712 O O . HOH S 3 . ? 87.186 34.336 42.231 1.0 20.94 ? 140 HOH S O 1 140 . C HETATM 3713 O O . HOH S 3 . ? 88.798 26.265 43.822 1.0 52.52 ? 141 HOH S O 1 141 . C HETATM 3714 O O . HOH S 3 . ? 94.806 24.056 42.302 1.0 26.23 ? 142 HOH S O 1 142 . C HETATM 3715 O O . HOH S 3 . ? 94.402 23.455 45.685 1.0 52.17 ? 143 HOH S O 1 143 . C HETATM 3716 O O . HOH S 3 . ? 93.677 21.003 43.765 1.0 51.11 ? 144 HOH S O 1 144 . C HETATM 3717 O O . HOH S 3 . ? 92.380 18.027 40.395 1.0 44.4 ? 145 HOH S O 1 145 . C HETATM 3718 O O . HOH S 3 . ? 89.285 17.998 40.876 1.0 47.34 ? 146 HOH S O 1 146 . C HETATM 3719 O O . HOH S 3 . ? 89.922 20.541 36.560 1.0 30.69 ? 147 HOH S O 1 147 . C HETATM 3720 O O . HOH S 3 . ? 93.095 18.602 37.330 1.0 33.66 ? 148 HOH S O 1 148 . C HETATM 3721 O O . HOH S 3 . ? 89.741 16.771 34.022 1.0 51.68 ? 149 HOH S O 1 149 . C HETATM 3722 O O . HOH S 3 . ? 89.024 13.438 31.615 1.0 34.51 ? 150 HOH S O 1 150 . C HETATM 3723 O O . HOH S 3 . ? 93.166 10.625 25.908 1.0 44.66 ? 151 HOH S O 1 151 . C HETATM 3724 O O . HOH S 3 . ? 91.814 10.474 23.410 1.0 44.06 ? 152 HOH S O 1 152 . C HETATM 3725 O O . HOH S 3 . ? 88.656 14.712 18.172 1.0 44.91 ? 153 HOH S O 1 153 . C HETATM 3726 O O . HOH S 3 . ? 90.842 17.525 18.067 1.0 29.6 ? 154 HOH S O 1 154 . C HETATM 3727 O O . HOH S 3 . ? 93.870 17.592 18.932 1.0 46.87 ? 155 HOH S O 1 155 . C HETATM 3728 O O . HOH S 3 . ? 92.610 20.376 18.771 1.0 33.77 ? 156 HOH S O 1 156 . C HETATM 3729 O O . HOH S 3 . ? 95.251 21.872 20.856 1.0 24.59 ? 157 HOH S O 1 157 . C HETATM 3730 O O . HOH S 3 . ? 92.097 23.507 16.506 1.0 33.15 ? 158 HOH S O 1 158 . C HETATM 3731 O O . HOH S 3 . ? 90.294 22.484 13.666 1.0 50.33 ? 159 HOH S O 1 159 . C HETATM 3732 O O . HOH S 3 . ? 94.565 27.490 19.139 1.0 26.2 ? 160 HOH S O 1 160 . C HETATM 3733 O O . HOH S 3 . ? 95.593 30.866 18.848 1.0 43.18 ? 161 HOH S O 1 161 . C HETATM 3734 O O . HOH S 3 . ? 92.873 29.514 17.845 1.0 25.99 ? 162 HOH S O 1 162 . C HETATM 3735 O O . HOH S 3 . ? 90.930 32.303 17.044 1.0 37.44 ? 163 HOH S O 1 163 . C HETATM 3736 O O . HOH S 3 . ? 90.142 35.497 14.712 1.0 49.62 ? 164 HOH S O 1 164 . C HETATM 3737 O O . HOH S 3 . ? 93.231 37.074 17.765 1.0 52.44 ? 165 HOH S O 1 165 . C HETATM 3738 O O . HOH S 3 . ? 100.092 35.813 23.190 1.0 34.77 ? 166 HOH S O 1 166 . C HETATM 3739 O O . HOH S 3 . ? 99.145 38.478 24.719 1.0 26.93 ? 167 HOH S O 1 167 . C HETATM 3740 O O . HOH S 3 . ? 99.174 40.859 34.431 1.0 17.74 ? 168 HOH S O 1 168 . C HETATM 3741 O O . HOH S 3 . ? 109.290 32.587 47.330 1.0 57.58 ? 169 HOH S O 1 169 . C HETATM 3742 O O . HOH S 3 . ? 103.032 25.416 33.179 1.0 34.59 ? 170 HOH S O 1 170 . C HETATM 3743 O O . HOH S 3 . ? 102.222 16.804 35.201 1.0 53.96 ? 171 HOH S O 1 171 . C HETATM 3744 O O . HOH S 3 . ? 99.766 15.604 33.273 1.0 48.23 ? 172 HOH S O 1 172 . C HETATM 3745 O O . HOH S 3 . ? 95.334 13.611 36.043 1.0 49.47 ? 173 HOH S O 1 173 . C HETATM 3746 O O . HOH S 3 . ? 100.795 19.674 27.529 1.0 40.03 ? 174 HOH S O 1 174 . C HETATM 3747 O O . HOH S 3 . ? 104.353 24.614 25.466 1.0 39.34 ? 175 HOH S O 1 175 . C HETATM 3748 O O . HOH S 3 . ? 99.555 27.339 22.113 1.0 50.67 ? 176 HOH S O 1 176 . C HETATM 3749 O O . HOH S 3 . ? 102.912 32.051 50.912 1.0 49.09 ? 177 HOH S O 1 177 . C HETATM 3750 O O . HOH S 3 . ? 101.991 30.178 47.699 1.0 32.0 ? 178 HOH S O 1 178 . C HETATM 3751 O O . HOH S 3 . ? 83.813 22.474 38.816 1.0 52.77 ? 179 HOH S O 1 179 . C HETATM 3752 O O . HOH S 3 . ? 80.578 22.499 36.272 1.0 39.29 ? 180 HOH S O 1 180 . C HETATM 3753 O O . HOH S 3 . ? 77.207 22.663 35.590 1.0 49.58 ? 181 HOH S O 1 181 . C HETATM 3754 O O . HOH S 3 . ? 77.331 19.166 33.180 1.0 24.92 ? 182 HOH S O 1 182 . C HETATM 3755 O O . HOH S 3 . ? 79.691 19.567 29.726 1.0 25.13 ? 183 HOH S O 1 183 . C HETATM 3756 O O . HOH S 3 . ? 78.510 16.587 29.581 1.0 36.01 ? 184 HOH S O 1 184 . C HETATM 3757 O O . HOH S 3 . ? 73.963 16.773 26.649 1.0 28.09 ? 185 HOH S O 1 185 . C HETATM 3758 O O . HOH S 3 . ? 75.525 21.750 30.400 1.0 53.71 ? 186 HOH S O 1 186 . C HETATM 3759 O O . HOH S 3 . ? 75.860 14.283 24.049 1.0 46.55 ? 187 HOH S O 1 187 . C HETATM 3760 O O . HOH S 3 . ? 79.115 13.699 23.186 1.0 38.88 ? 188 HOH S O 1 188 . C HETATM 3761 O O . HOH S 3 . ? 84.385 9.678 21.255 1.0 36.7 ? 189 HOH S O 1 189 . C HETATM 3762 O O . HOH S 3 . ? 78.394 18.849 16.849 1.0 41.9 ? 190 HOH S O 1 190 . C HETATM 3763 O O . HOH S 3 . ? 79.042 18.247 13.184 1.0 46.37 ? 191 HOH S O 1 191 . C HETATM 3764 O O . HOH S 3 . ? 80.176 24.514 14.615 1.0 41.88 ? 192 HOH S O 1 192 . C HETATM 3765 O O . HOH S 3 . ? 84.788 25.704 14.355 1.0 25.56 ? 193 HOH S O 1 193 . C HETATM 3766 O O . HOH S 3 . ? 85.288 28.548 14.746 1.0 18.04 ? 194 HOH S O 1 194 . C HETATM 3767 O O . HOH S 3 . ? 83.850 26.103 11.172 1.0 51.13 ? 195 HOH S O 1 195 . C HETATM 3768 O O . HOH S 3 . ? 80.303 32.175 12.086 1.0 43.85 ? 196 HOH S O 1 196 . C HETATM 3769 O O . HOH S 3 . ? 78.914 30.481 13.693 1.0 45.97 ? 197 HOH S O 1 197 . C HETATM 3770 O O . HOH S 3 . ? 79.429 33.445 14.728 1.0 40.51 ? 198 HOH S O 1 198 . C HETATM 3771 O O . HOH S 3 . ? 77.155 25.110 15.683 1.0 33.99 ? 199 HOH S O 1 199 . C HETATM 3772 O O . HOH S 3 . ? 76.624 25.867 20.450 1.0 37.68 ? 200 HOH S O 1 200 . C HETATM 3773 O O . HOH S 3 . ? 69.995 17.612 22.678 1.0 40.38 ? 201 HOH S O 1 201 . C HETATM 3774 O O . HOH S 3 . ? 69.554 15.856 19.949 1.0 49.71 ? 202 HOH S O 1 202 . C HETATM 3775 O O . HOH S 3 . ? 71.708 14.603 20.810 1.0 52.24 ? 203 HOH S O 1 203 . C HETATM 3776 O O . HOH S 3 . ? 75.621 29.652 33.942 1.0 45.53 ? 204 HOH S O 1 204 . C HETATM 3777 O O . HOH S 3 . ? 78.939 29.828 33.562 1.0 25.11 ? 205 HOH S O 1 205 . C HETATM 3778 O O . HOH S 3 . ? 80.148 27.991 36.459 1.0 52.77 ? 206 HOH S O 1 206 . C HETATM 3779 O O . HOH S 3 . ? 74.783 29.359 37.793 1.0 51.34 ? 207 HOH S O 1 207 . C HETATM 3780 O O . HOH S 3 . ? 82.559 36.242 12.108 1.0 55.0 ? 208 HOH S O 1 208 . C HETATM 3781 O O . HOH S 3 . ? 85.131 38.076 13.774 1.0 37.51 ? 209 HOH S O 1 209 . C HETATM 3782 O O . HOH S 3 . ? 97.470 33.044 57.766 1.0 39.86 ? 210 HOH S O 1 210 . C HETATM 3783 O O . HOH T 3 . ? 65.988 32.040 24.267 1.0 32.62 ? 113 HOH T O 1 113 . D HETATM 3784 O O . HOH T 3 . ? 69.682 31.995 24.445 1.0 38.51 ? 114 HOH T O 1 114 . D HETATM 3785 O O . HOH T 3 . ? 72.787 32.801 23.338 1.0 23.57 ? 115 HOH T O 1 115 . D HETATM 3786 O O . HOH T 3 . ? 73.442 32.604 30.201 1.0 41.37 ? 116 HOH T O 1 116 . D HETATM 3787 O O . HOH T 3 . ? 74.140 35.338 32.403 1.0 29.76 ? 117 HOH T O 1 117 . D HETATM 3788 O O . HOH T 3 . ? 74.257 34.010 34.479 1.0 35.64 ? 118 HOH T O 1 118 . D HETATM 3789 O O . HOH T 3 . ? 71.630 34.589 35.271 1.0 33.62 ? 119 HOH T O 1 119 . D HETATM 3790 O O . HOH T 3 . ? 71.318 33.972 38.680 1.0 47.51 ? 120 HOH T O 1 120 . D HETATM 3791 O O . HOH T 3 . ? 69.313 32.321 41.958 1.0 51.71 ? 121 HOH T O 1 121 . D HETATM 3792 O O . HOH T 3 . ? 62.254 38.081 40.882 1.0 44.96 ? 122 HOH T O 1 122 . D HETATM 3793 O O . HOH T 3 . ? 54.574 51.808 46.909 1.0 43.04 ? 123 HOH T O 1 123 . D HETATM 3794 O O . HOH T 3 . ? 56.674 55.299 50.873 1.0 50.34 ? 124 HOH T O 1 124 . D HETATM 3795 O O . HOH T 3 . ? 63.461 57.095 49.986 1.0 42.22 ? 125 HOH T O 1 125 . D HETATM 3796 O O . HOH T 3 . ? 63.005 56.422 53.644 1.0 38.98 ? 126 HOH T O 1 126 . D HETATM 3797 O O . HOH T 3 . ? 65.148 55.320 56.606 1.0 38.71 ? 127 HOH T O 1 127 . D HETATM 3798 O O . HOH T 3 . ? 75.335 50.151 40.950 1.0 24.14 ? 128 HOH T O 1 128 . D HETATM 3799 O O . HOH T 3 . ? 79.815 44.803 36.748 1.0 43.26 ? 129 HOH T O 1 129 . D HETATM 3800 O O . HOH T 3 . ? 81.083 48.389 23.121 1.0 25.72 ? 130 HOH T O 1 130 . D HETATM 3801 O O . HOH T 3 . ? 81.642 49.619 20.260 1.0 55.15 ? 131 HOH T O 1 131 . D HETATM 3802 O O . HOH T 3 . ? 78.161 49.933 18.866 1.0 29.79 ? 132 HOH T O 1 132 . D HETATM 3803 O O . HOH T 3 . ? 79.209 46.780 19.814 1.0 32.67 ? 133 HOH T O 1 133 . D HETATM 3804 O O . HOH T 3 . ? 79.704 50.259 29.497 1.0 29.61 ? 134 HOH T O 1 134 . D HETATM 3805 O O . HOH T 3 . ? 78.845 52.145 31.009 1.0 34.76 ? 135 HOH T O 1 135 . D HETATM 3806 O O . HOH T 3 . ? 76.642 50.554 33.269 1.0 45.54 ? 136 HOH T O 1 136 . D HETATM 3807 O O . HOH T 3 . ? 75.503 52.480 37.108 1.0 28.36 ? 137 HOH T O 1 137 . D HETATM 3808 O O . HOH T 3 . ? 76.437 55.191 32.788 1.0 37.2 ? 138 HOH T O 1 138 . D HETATM 3809 O O . HOH T 3 . ? 79.355 57.545 32.116 1.0 56.23 ? 139 HOH T O 1 139 . D HETATM 3810 O O . HOH T 3 . ? 77.266 58.523 29.619 1.0 36.75 ? 140 HOH T O 1 140 . D HETATM 3811 O O . HOH T 3 . ? 75.631 59.169 32.844 1.0 36.19 ? 141 HOH T O 1 141 . D HETATM 3812 O O . HOH T 3 . ? 75.066 62.522 34.077 1.0 45.07 ? 142 HOH T O 1 142 . D HETATM 3813 O O . HOH T 3 . ? 74.982 59.189 38.813 1.0 50.29 ? 143 HOH T O 1 143 . D HETATM 3814 O O . HOH T 3 . ? 69.063 58.410 40.965 1.0 25.69 ? 144 HOH T O 1 144 . D HETATM 3815 O O . HOH T 3 . ? 67.503 56.144 41.085 1.0 18.92 ? 145 HOH T O 1 145 . D HETATM 3816 O O . HOH T 3 . ? 66.844 60.395 40.015 1.0 33.13 ? 146 HOH T O 1 146 . D HETATM 3817 O O . HOH T 3 . ? 69.082 62.170 39.663 1.0 31.18 ? 147 HOH T O 1 147 . D HETATM 3818 O O . HOH T 3 . ? 64.577 62.573 45.665 1.0 38.48 ? 148 HOH T O 1 148 . D HETATM 3819 O O . HOH T 3 . ? 79.787 56.409 47.506 1.0 45.67 ? 149 HOH T O 1 149 . D HETATM 3820 O O . HOH T 3 . ? 78.868 40.428 31.742 1.0 10.48 ? 150 HOH T O 1 150 . D HETATM 3821 O O . HOH T 3 . ? 76.275 39.615 25.438 1.0 24.55 ? 151 HOH T O 1 151 . D HETATM 3822 O O . HOH T 3 . ? 72.472 40.391 14.458 1.0 41.99 ? 152 HOH T O 1 152 . D HETATM 3823 O O . HOH T 3 . ? 71.787 39.286 12.156 1.0 57.84 ? 153 HOH T O 1 153 . D HETATM 3824 O O . HOH T 3 . ? 68.595 38.973 14.344 1.0 49.71 ? 154 HOH T O 1 154 . D HETATM 3825 O O . HOH T 3 . ? 66.055 40.760 17.056 1.0 55.16 ? 155 HOH T O 1 155 . D HETATM 3826 O O . HOH T 3 . ? 62.883 42.722 18.609 1.0 43.23 ? 156 HOH T O 1 156 . D HETATM 3827 O O . HOH T 3 . ? 59.372 43.184 15.966 1.0 52.72 ? 157 HOH T O 1 157 . D HETATM 3828 O O . HOH T 3 . ? 66.594 45.140 15.257 1.0 21.49 ? 158 HOH T O 1 158 . D HETATM 3829 O O . HOH T 3 . ? 66.805 47.618 13.659 1.0 18.1 ? 159 HOH T O 1 159 . D HETATM 3830 O O . HOH T 3 . ? 74.046 47.573 11.710 1.0 48.6 ? 160 HOH T O 1 160 . D HETATM 3831 O O . HOH T 3 . ? 75.127 47.040 13.975 1.0 35.11 ? 161 HOH T O 1 161 . D HETATM 3832 O O . HOH T 3 . ? 76.288 49.081 15.461 1.0 43.12 ? 162 HOH T O 1 162 . D HETATM 3833 O O . HOH T 3 . ? 72.607 53.708 11.597 1.0 30.41 ? 163 HOH T O 1 163 . D HETATM 3834 O O . HOH T 3 . ? 74.158 54.608 8.177 1.0 51.8 ? 164 HOH T O 1 164 . D HETATM 3835 O O . HOH T 3 . ? 70.756 61.134 11.596 1.0 46.14 ? 165 HOH T O 1 165 . D HETATM 3836 O O . HOH T 3 . ? 71.065 63.530 14.273 1.0 36.7 ? 166 HOH T O 1 166 . D HETATM 3837 O O . HOH T 3 . ? 65.718 60.781 12.795 1.0 50.24 ? 167 HOH T O 1 167 . D HETATM 3838 O O . HOH T 3 . ? 65.256 57.818 9.785 1.0 45.11 ? 168 HOH T O 1 168 . D HETATM 3839 O O . HOH T 3 . ? 60.540 53.979 17.584 1.0 31.87 ? 169 HOH T O 1 169 . D HETATM 3840 O O . HOH T 3 . ? 58.373 54.792 20.420 1.0 36.12 ? 170 HOH T O 1 170 . D HETATM 3841 O O . HOH T 3 . ? 59.672 58.341 20.444 1.0 32.92 ? 171 HOH T O 1 171 . D HETATM 3842 O O . HOH T 3 . ? 57.769 59.153 25.501 1.0 42.16 ? 172 HOH T O 1 172 . D HETATM 3843 O O . HOH T 3 . ? 55.482 58.781 28.734 1.0 26.83 ? 173 HOH T O 1 173 . D HETATM 3844 O O . HOH T 3 . ? 51.856 57.654 34.659 1.0 52.47 ? 174 HOH T O 1 174 . D HETATM 3845 O O . HOH T 3 . ? 56.640 55.816 36.219 1.0 37.33 ? 175 HOH T O 1 175 . D HETATM 3846 O O . HOH T 3 . ? 56.740 42.731 30.345 1.0 34.65 ? 176 HOH T O 1 176 . D HETATM 3847 O O . HOH T 3 . ? 55.510 40.199 28.643 1.0 53.51 ? 177 HOH T O 1 177 . D HETATM 3848 O O . HOH T 3 . ? 58.182 41.142 32.369 1.0 27.0 ? 178 HOH T O 1 178 . D HETATM 3849 O O . HOH T 3 . ? 61.225 35.205 36.580 1.0 41.91 ? 179 HOH T O 1 179 . D HETATM 3850 O O . HOH T 3 . ? 65.298 38.689 38.903 1.0 39.8 ? 180 HOH T O 1 180 . D HETATM 3851 O O . HOH T 3 . ? 71.595 41.550 37.310 1.0 34.08 ? 181 HOH T O 1 181 . D HETATM 3852 O O . HOH T 3 . ? 76.923 36.628 37.855 1.0 38.63 ? 182 HOH T O 1 182 . D HETATM 3853 O O . HOH T 3 . ? 78.351 35.456 16.354 1.0 24.56 ? 183 HOH T O 1 183 . D HETATM 3854 O O . HOH T 3 . ? 77.016 31.546 16.742 1.0 32.79 ? 184 HOH T O 1 184 . D HETATM 3855 O O . HOH T 3 . ? 69.675 32.273 30.406 1.0 49.51 ? 185 HOH T O 1 185 . D HETATM 3856 O O . HOH T 3 . ? 63.200 36.373 22.285 1.0 50.0 ? 186 HOH T O 1 186 . D HETATM 3857 O O . HOH T 3 . ? 64.246 37.668 17.534 1.0 57.66 ? 187 HOH T O 1 187 . D HETATM 3858 O O . HOH T 3 . ? 81.854 51.671 25.538 1.0 43.37 ? 188 HOH T O 1 188 . D HETATM 3859 O O . HOH T 3 . ? 80.423 57.010 24.120 1.0 47.89 ? 189 HOH T O 1 189 . D HETATM 3860 O O . HOH T 3 . ? 76.385 58.790 22.498 1.0 49.29 ? 190 HOH T O 1 190 . D HETATM 3861 O O . HOH T 3 . ? 75.367 62.189 20.282 1.0 52.34 ? 191 HOH T O 1 191 . D HETATM 3862 O O . HOH T 3 . ? 69.275 61.007 31.953 1.0 22.73 ? 192 HOH T O 1 192 . D HETATM 3863 O O . HOH T 3 . ? 65.857 63.437 33.823 1.0 26.47 ? 193 HOH T O 1 193 . D HETATM 3864 O O . HOH T 3 . ? 61.074 66.010 32.459 1.0 51.95 ? 194 HOH T O 1 194 . D HETATM 3865 O O . HOH T 3 . ? 60.595 66.970 28.968 1.0 54.22 ? 195 HOH T O 1 195 . D HETATM 3866 O O . HOH T 3 . ? 60.079 68.126 36.761 1.0 39.46 ? 196 HOH T O 1 196 . D HETATM 3867 O O . HOH T 3 . ? 56.974 64.905 35.784 1.0 43.23 ? 197 HOH T O 1 197 . D HETATM 3868 O O . HOH T 3 . ? 57.647 67.017 41.246 1.0 40.79 ? 198 HOH T O 1 198 . D HETATM 3869 O O . HOH T 3 . ? 54.460 63.215 42.194 1.0 46.14 ? 199 HOH T O 1 199 . D HETATM 3870 O O . HOH T 3 . ? 53.205 60.337 45.413 1.0 39.02 ? 200 HOH T O 1 200 . D HETATM 3871 O O . HOH T 3 . ? 56.974 59.260 44.968 1.0 45.17 ? 201 HOH T O 1 201 . D HETATM 3872 O O . HOH T 3 . ? 60.793 59.598 44.758 1.0 24.09 ? 202 HOH T O 1 202 . D HETATM 3873 O O . HOH T 3 . ? 64.021 63.041 40.643 1.0 29.91 ? 203 HOH T O 1 203 . D HETATM 3874 O O . HOH T 3 . ? 54.294 35.379 35.689 1.0 50.51 ? 204 HOH T O 1 204 . D HETATM 3875 O O . HOH T 3 . ? 64.128 67.402 15.395 1.0 53.54 ? 205 HOH T O 1 205 . D # _entry.id 1MSA # _cell.entry_id 1MSA _cell.length_a 125.327 _cell.length_b 78.328 _cell.length_c 81.96 _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 1MSA _pdbe_orig_cell.length_a 138.820 _pdbe_orig_cell.length_b 64.110 _pdbe_orig_cell.length_c 62.080 _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 16 _pdbe_orig_cell.pdbx_unique_axis ? # _symmetry.entry_id 1MSA _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 1MSA _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 # _entity_name_com.entity_id 1 _entity_name_com.name "SNOWDROP LECTIN" # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name "common snowdrop" _entity_src_nat.pdbx_organism_scientific "Galanthus nivalis" _entity_src_nat.pdbx_ncbi_taxonomy_id 4670 _entity_src_nat.genus Galanthus _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _exptl.entry_id 1MSA _exptl.method "X-ray diffraction" _exptl.crystals_number 1 # _reflns.entry_id 1MSA _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low ? _reflns.d_resolution_high ? _reflns.number_obs 23359 _reflns.number_all ? _reflns.percent_possible_obs 91.7 _reflns.pdbx_Rmerge_I_obs 0.044 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.49 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _refine.entry_id 1MSA _refine.ls_number_reflns_obs 22685 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 8.0 _refine.ls_d_res_high 2.29 _refine.ls_percent_reflns_obs 91.5 _refine.ls_R_factor_obs 0.177 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.177 _refine.ls_R_factor_R_free 0.24 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean 18.15 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ;THREONINE 99 HAS A PEPTIDE TORSION ANGLE WITH A CIS CONFORMATION. IN THE TOPOLOGY AND PARAMETER FILES USED FOR REFINEMENT A NEW RESIDUE CALLED CTH WAS INTRODUCED. THIS IS A THR RESIDUE WITH A NEW ATOM TYPE BEING A MAIN CHAIN NITROGEN ATOM WHICH IS INVOLVED IN A CIS PEPTIDE BOND. ; _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id "X-ray diffraction" _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id "X-ray diffraction" _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3392 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 156 _refine_hist.number_atoms_solvent 327 _refine_hist.number_atoms_total 3875 _refine_hist.d_res_high 2.29 _refine_hist.d_res_low 8.0 # _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 tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type "identity operation" _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 2 ? M N N 2 ? N N N 2 ? O N N 2 ? P N N 2 ? Q N N 3 ? R N N 3 ? S N N 3 ? T N N 3 ? # _struct.entry_id 1MSA _struct.title "MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM SNOWDROP (GALANTHUS NIVALIS) BULBS COMPLEXED WITH METHYL-ALPHA-D-MANNOSIDE" _struct.pdbx_descriptor AGGLUTININ _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _atom_sites.entry_id 1MSA _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 ASP 1 1 1 ASP ASP A . n A 1 2 ASN 2 2 2 ASN ASN A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 TYR 5 5 5 TYR TYR A . n A 1 6 SER 6 6 6 SER SER A . n A 1 7 GLY 7 7 7 GLY GLY A . n A 1 8 GLU 8 8 8 GLU GLU A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 LEU 10 10 10 LEU LEU A . n A 1 11 SER 11 11 11 SER SER A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 GLY 13 13 13 GLY GLY A . n A 1 14 GLU 14 14 14 GLU GLU A . n A 1 15 PHE 15 15 15 PHE PHE A . n A 1 16 LEU 16 16 16 LEU LEU A . n A 1 17 ASN 17 17 17 ASN ASN A . n A 1 18 TYR 18 18 18 TYR TYR A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 SER 20 20 20 SER SER A . n A 1 21 PHE 21 21 21 PHE PHE A . n A 1 22 VAL 22 22 22 VAL VAL A . n A 1 23 PHE 23 23 23 PHE PHE A . n A 1 24 ILE 24 24 24 ILE ILE A . n A 1 25 MET 25 25 25 MET MET A . n A 1 26 GLN 26 26 26 GLN GLN A . n A 1 27 GLU 27 27 27 GLU GLU A . n A 1 28 ASP 28 28 28 ASP ASP A . n A 1 29 CYS 29 29 29 CYS CYS A . n A 1 30 ASN 30 30 30 ASN ASN A . n A 1 31 LEU 31 31 31 LEU LEU A . n A 1 32 VAL 32 32 32 VAL VAL A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 TYR 34 34 34 TYR TYR A . n A 1 35 ASP 35 35 35 ASP ASP A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 ASP 37 37 37 ASP ASP A . n A 1 38 LYS 38 38 38 LYS LYS A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 ILE 40 40 40 ILE ILE A . n A 1 41 TRP 41 41 41 TRP TRP A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 ASN 44 44 44 ASN ASN A . n A 1 45 THR 45 45 45 THR THR A . n A 1 46 GLY 46 46 46 GLY GLY A . n A 1 47 GLY 47 47 47 GLY GLY A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 SER 49 49 49 SER SER A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 CYS 52 52 52 CYS CYS A . n A 1 53 PHE 53 53 53 PHE PHE A . n A 1 54 LEU 54 54 54 LEU LEU A . n A 1 55 SER 55 55 55 SER SER A . n A 1 56 MET 56 56 56 MET MET A . n A 1 57 GLN 57 57 57 GLN GLN A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 ASP 59 59 59 ASP ASP A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 ASN 61 61 61 ASN ASN A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 VAL 63 63 63 VAL VAL A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 TYR 65 65 65 TYR TYR A . n A 1 66 ASN 66 66 66 ASN ASN A . n A 1 67 PRO 67 67 67 PRO PRO A . n A 1 68 SER 68 68 68 SER SER A . n A 1 69 ASN 69 69 69 ASN ASN A . n A 1 70 LYS 70 70 70 LYS LYS A . n A 1 71 PRO 71 71 71 PRO PRO A . n A 1 72 ILE 72 72 72 ILE ILE A . n A 1 73 TRP 73 73 73 TRP TRP A . n A 1 74 ALA 74 74 74 ALA ALA A . n A 1 75 SER 75 75 75 SER SER A . n A 1 76 ASN 76 76 76 ASN ASN A . n A 1 77 THR 77 77 77 THR THR A . n A 1 78 GLY 78 78 78 GLY GLY A . n A 1 79 GLY 79 79 79 GLY GLY A . n A 1 80 GLN 80 80 80 GLN GLN A . n A 1 81 ASN 81 81 81 ASN ASN A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 ASN 83 83 83 ASN ASN A . n A 1 84 TYR 84 84 84 TYR TYR A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 CYS 86 86 86 CYS CYS A . n A 1 87 ILE 87 87 87 ILE ILE A . n A 1 88 LEU 88 88 88 LEU LEU A . n A 1 89 GLN 89 89 89 GLN GLN A . n A 1 90 LYS 90 90 90 LYS LYS A . n A 1 91 ASP 91 91 91 ASP ASP A . n A 1 92 ARG 92 92 92 ARG ARG A . n A 1 93 ASN 93 93 93 ASN ASN A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 ILE 96 96 96 ILE ILE A . n A 1 97 TYR 97 97 97 TYR TYR A . n A 1 98 GLY 98 98 98 GLY GLY A . n A 1 99 THR 99 99 99 THR THR A . n A 1 100 ASP 100 100 100 ASP ASP A . n A 1 101 ARG 101 101 101 ARG ARG A . n A 1 102 TRP 102 102 102 TRP TRP A . n A 1 103 ALA 103 103 103 ALA ALA A . n A 1 104 THR 104 104 104 THR THR A . n A 1 105 GLY 105 105 105 GLY GLY A . n A 1 106 THR 106 106 106 THR THR A . n A 1 107 HIS 107 107 107 HIS HIS A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 GLY 109 109 109 GLY GLY A . n B 1 1 ASP 1 1 1 ASP ASP B . n B 1 2 ASN 2 2 2 ASN ASN B . n B 1 3 ILE 3 3 3 ILE ILE B . n B 1 4 LEU 4 4 4 LEU LEU B . n B 1 5 TYR 5 5 5 TYR TYR B . n B 1 6 SER 6 6 6 SER SER B . n B 1 7 GLY 7 7 7 GLY GLY B . n B 1 8 GLU 8 8 8 GLU GLU B . n B 1 9 THR 9 9 9 THR THR B . n B 1 10 LEU 10 10 10 LEU LEU B . n B 1 11 SER 11 11 11 SER SER B . n B 1 12 THR 12 12 12 THR THR B . n B 1 13 GLY 13 13 13 GLY GLY B . n B 1 14 GLU 14 14 14 GLU GLU B . n B 1 15 PHE 15 15 15 PHE PHE B . n B 1 16 LEU 16 16 16 LEU LEU B . n B 1 17 ASN 17 17 17 ASN ASN B . n B 1 18 TYR 18 18 18 TYR TYR B . n B 1 19 GLY 19 19 19 GLY GLY B . n B 1 20 SER 20 20 20 SER SER B . n B 1 21 PHE 21 21 21 PHE PHE B . n B 1 22 VAL 22 22 22 VAL VAL B . n B 1 23 PHE 23 23 23 PHE PHE B . n B 1 24 ILE 24 24 24 ILE ILE B . n B 1 25 MET 25 25 25 MET MET B . n B 1 26 GLN 26 26 26 GLN GLN B . n B 1 27 GLU 27 27 27 GLU GLU B . n B 1 28 ASP 28 28 28 ASP ASP B . n B 1 29 CYS 29 29 29 CYS CYS B . n B 1 30 ASN 30 30 30 ASN ASN B . n B 1 31 LEU 31 31 31 LEU LEU B . n B 1 32 VAL 32 32 32 VAL VAL B . n B 1 33 LEU 33 33 33 LEU LEU B . n B 1 34 TYR 34 34 34 TYR TYR B . n B 1 35 ASP 35 35 35 ASP ASP B . n B 1 36 VAL 36 36 36 VAL VAL B . n B 1 37 ASP 37 37 37 ASP ASP B . n B 1 38 LYS 38 38 38 LYS LYS B . n B 1 39 PRO 39 39 39 PRO PRO B . n B 1 40 ILE 40 40 40 ILE ILE B . n B 1 41 TRP 41 41 41 TRP TRP B . n B 1 42 ALA 42 42 42 ALA ALA B . n B 1 43 THR 43 43 43 THR THR B . n B 1 44 ASN 44 44 44 ASN ASN B . n B 1 45 THR 45 45 45 THR THR B . n B 1 46 GLY 46 46 46 GLY GLY B . n B 1 47 GLY 47 47 47 GLY GLY B . n B 1 48 LEU 48 48 48 LEU LEU B . n B 1 49 SER 49 49 49 SER SER B . n B 1 50 ARG 50 50 50 ARG ARG B . n B 1 51 SER 51 51 51 SER SER B . n B 1 52 CYS 52 52 52 CYS CYS B . n B 1 53 PHE 53 53 53 PHE PHE B . n B 1 54 LEU 54 54 54 LEU LEU B . n B 1 55 SER 55 55 55 SER SER B . n B 1 56 MET 56 56 56 MET MET B . n B 1 57 GLN 57 57 57 GLN GLN B . n B 1 58 THR 58 58 58 THR THR B . n B 1 59 ASP 59 59 59 ASP ASP B . n B 1 60 GLY 60 60 60 GLY GLY B . n B 1 61 ASN 61 61 61 ASN ASN B . n B 1 62 LEU 62 62 62 LEU LEU B . n B 1 63 VAL 63 63 63 VAL VAL B . n B 1 64 VAL 64 64 64 VAL VAL B . n B 1 65 TYR 65 65 65 TYR TYR B . n B 1 66 ASN 66 66 66 ASN ASN B . n B 1 67 PRO 67 67 67 PRO PRO B . n B 1 68 SER 68 68 68 SER SER B . n B 1 69 ASN 69 69 69 ASN ASN B . n B 1 70 LYS 70 70 70 LYS LYS B . n B 1 71 PRO 71 71 71 PRO PRO B . n B 1 72 ILE 72 72 72 ILE ILE B . n B 1 73 TRP 73 73 73 TRP TRP B . n B 1 74 ALA 74 74 74 ALA ALA B . n B 1 75 SER 75 75 75 SER SER B . n B 1 76 ASN 76 76 76 ASN ASN B . n B 1 77 THR 77 77 77 THR THR B . n B 1 78 GLY 78 78 78 GLY GLY B . n B 1 79 GLY 79 79 79 GLY GLY B . n B 1 80 GLN 80 80 80 GLN GLN B . n B 1 81 ASN 81 81 81 ASN ASN B . n B 1 82 GLY 82 82 82 GLY GLY B . n B 1 83 ASN 83 83 83 ASN ASN B . n B 1 84 TYR 84 84 84 TYR TYR B . n B 1 85 VAL 85 85 85 VAL VAL B . n B 1 86 CYS 86 86 86 CYS CYS B . n B 1 87 ILE 87 87 87 ILE ILE B . n B 1 88 LEU 88 88 88 LEU LEU B . n B 1 89 GLN 89 89 89 GLN GLN B . n B 1 90 LYS 90 90 90 LYS LYS B . n B 1 91 ASP 91 91 91 ASP ASP B . n B 1 92 ARG 92 92 92 ARG ARG B . n B 1 93 ASN 93 93 93 ASN ASN B . n B 1 94 VAL 94 94 94 VAL VAL B . n B 1 95 VAL 95 95 95 VAL VAL B . n B 1 96 ILE 96 96 96 ILE ILE B . n B 1 97 TYR 97 97 97 TYR TYR B . n B 1 98 GLY 98 98 98 GLY GLY B . n B 1 99 THR 99 99 99 THR THR B . n B 1 100 ASP 100 100 100 ASP ASP B . n B 1 101 ARG 101 101 101 ARG ARG B . n B 1 102 TRP 102 102 102 TRP TRP B . n B 1 103 ALA 103 103 103 ALA ALA B . n B 1 104 THR 104 104 104 THR THR B . n B 1 105 GLY 105 105 105 GLY GLY B . n B 1 106 THR 106 106 106 THR THR B . n B 1 107 HIS 107 107 107 HIS HIS B . n B 1 108 THR 108 108 108 THR THR B . n B 1 109 GLY 109 109 109 GLY GLY B . n C 1 1 ASP 1 1 1 ASP ASP C . n C 1 2 ASN 2 2 2 ASN ASN C . n C 1 3 ILE 3 3 3 ILE ILE C . n C 1 4 LEU 4 4 4 LEU LEU C . n C 1 5 TYR 5 5 5 TYR TYR C . n C 1 6 SER 6 6 6 SER SER C . n C 1 7 GLY 7 7 7 GLY GLY C . n C 1 8 GLU 8 8 8 GLU GLU C . n C 1 9 THR 9 9 9 THR THR C . n C 1 10 LEU 10 10 10 LEU LEU C . n C 1 11 SER 11 11 11 SER SER C . n C 1 12 THR 12 12 12 THR THR C . n C 1 13 GLY 13 13 13 GLY GLY C . n C 1 14 GLU 14 14 14 GLU GLU C . n C 1 15 PHE 15 15 15 PHE PHE C . n C 1 16 LEU 16 16 16 LEU LEU C . n C 1 17 ASN 17 17 17 ASN ASN C . n C 1 18 TYR 18 18 18 TYR TYR C . n C 1 19 GLY 19 19 19 GLY GLY C . n C 1 20 SER 20 20 20 SER SER C . n C 1 21 PHE 21 21 21 PHE PHE C . n C 1 22 VAL 22 22 22 VAL VAL C . n C 1 23 PHE 23 23 23 PHE PHE C . n C 1 24 ILE 24 24 24 ILE ILE C . n C 1 25 MET 25 25 25 MET MET C . n C 1 26 GLN 26 26 26 GLN GLN C . n C 1 27 GLU 27 27 27 GLU GLU C . n C 1 28 ASP 28 28 28 ASP ASP C . n C 1 29 CYS 29 29 29 CYS CYS C . n C 1 30 ASN 30 30 30 ASN ASN C . n C 1 31 LEU 31 31 31 LEU LEU C . n C 1 32 VAL 32 32 32 VAL VAL C . n C 1 33 LEU 33 33 33 LEU LEU C . n C 1 34 TYR 34 34 34 TYR TYR C . n C 1 35 ASP 35 35 35 ASP ASP C . n C 1 36 VAL 36 36 36 VAL VAL C . n C 1 37 ASP 37 37 37 ASP ASP C . n C 1 38 LYS 38 38 38 LYS LYS C . n C 1 39 PRO 39 39 39 PRO PRO C . n C 1 40 ILE 40 40 40 ILE ILE C . n C 1 41 TRP 41 41 41 TRP TRP C . n C 1 42 ALA 42 42 42 ALA ALA C . n C 1 43 THR 43 43 43 THR THR C . n C 1 44 ASN 44 44 44 ASN ASN C . n C 1 45 THR 45 45 45 THR THR C . n C 1 46 GLY 46 46 46 GLY GLY C . n C 1 47 GLY 47 47 47 GLY GLY C . n C 1 48 LEU 48 48 48 LEU LEU C . n C 1 49 SER 49 49 49 SER SER C . n C 1 50 ARG 50 50 50 ARG ARG C . n C 1 51 SER 51 51 51 SER SER C . n C 1 52 CYS 52 52 52 CYS CYS C . n C 1 53 PHE 53 53 53 PHE PHE C . n C 1 54 LEU 54 54 54 LEU LEU C . n C 1 55 SER 55 55 55 SER SER C . n C 1 56 MET 56 56 56 MET MET C . n C 1 57 GLN 57 57 57 GLN GLN C . n C 1 58 THR 58 58 58 THR THR C . n C 1 59 ASP 59 59 59 ASP ASP C . n C 1 60 GLY 60 60 60 GLY GLY C . n C 1 61 ASN 61 61 61 ASN ASN C . n C 1 62 LEU 62 62 62 LEU LEU C . n C 1 63 VAL 63 63 63 VAL VAL C . n C 1 64 VAL 64 64 64 VAL VAL C . n C 1 65 TYR 65 65 65 TYR TYR C . n C 1 66 ASN 66 66 66 ASN ASN C . n C 1 67 PRO 67 67 67 PRO PRO C . n C 1 68 SER 68 68 68 SER SER C . n C 1 69 ASN 69 69 69 ASN ASN C . n C 1 70 LYS 70 70 70 LYS LYS C . n C 1 71 PRO 71 71 71 PRO PRO C . n C 1 72 ILE 72 72 72 ILE ILE C . n C 1 73 TRP 73 73 73 TRP TRP C . n C 1 74 ALA 74 74 74 ALA ALA C . n C 1 75 SER 75 75 75 SER SER C . n C 1 76 ASN 76 76 76 ASN ASN C . n C 1 77 THR 77 77 77 THR THR C . n C 1 78 GLY 78 78 78 GLY GLY C . n C 1 79 GLY 79 79 79 GLY GLY C . n C 1 80 GLN 80 80 80 GLN GLN C . n C 1 81 ASN 81 81 81 ASN ASN C . n C 1 82 GLY 82 82 82 GLY GLY C . n C 1 83 ASN 83 83 83 ASN ASN C . n C 1 84 TYR 84 84 84 TYR TYR C . n C 1 85 VAL 85 85 85 VAL VAL C . n C 1 86 CYS 86 86 86 CYS CYS C . n C 1 87 ILE 87 87 87 ILE ILE C . n C 1 88 LEU 88 88 88 LEU LEU C . n C 1 89 GLN 89 89 89 GLN GLN C . n C 1 90 LYS 90 90 90 LYS LYS C . n C 1 91 ASP 91 91 91 ASP ASP C . n C 1 92 ARG 92 92 92 ARG ARG C . n C 1 93 ASN 93 93 93 ASN ASN C . n C 1 94 VAL 94 94 94 VAL VAL C . n C 1 95 VAL 95 95 95 VAL VAL C . n C 1 96 ILE 96 96 96 ILE ILE C . n C 1 97 TYR 97 97 97 TYR TYR C . n C 1 98 GLY 98 98 98 GLY GLY C . n C 1 99 THR 99 99 99 THR THR C . n C 1 100 ASP 100 100 100 ASP ASP C . n C 1 101 ARG 101 101 101 ARG ARG C . n C 1 102 TRP 102 102 102 TRP TRP C . n C 1 103 ALA 103 103 103 ALA ALA C . n C 1 104 THR 104 104 104 THR THR C . n C 1 105 GLY 105 105 105 GLY GLY C . n C 1 106 THR 106 106 106 THR THR C . n C 1 107 HIS 107 107 107 HIS HIS C . n C 1 108 THR 108 108 108 THR THR C . n C 1 109 GLY 109 109 109 GLY GLY C . n D 1 1 ASP 1 1 1 ASP ASP D . n D 1 2 ASN 2 2 2 ASN ASN D . n D 1 3 ILE 3 3 3 ILE ILE D . n D 1 4 LEU 4 4 4 LEU LEU D . n D 1 5 TYR 5 5 5 TYR TYR D . n D 1 6 SER 6 6 6 SER SER D . n D 1 7 GLY 7 7 7 GLY GLY D . n D 1 8 GLU 8 8 8 GLU GLU D . n D 1 9 THR 9 9 9 THR THR D . n D 1 10 LEU 10 10 10 LEU LEU D . n D 1 11 SER 11 11 11 SER SER D . n D 1 12 THR 12 12 12 THR THR D . n D 1 13 GLY 13 13 13 GLY GLY D . n D 1 14 GLU 14 14 14 GLU GLU D . n D 1 15 PHE 15 15 15 PHE PHE D . n D 1 16 LEU 16 16 16 LEU LEU D . n D 1 17 ASN 17 17 17 ASN ASN D . n D 1 18 TYR 18 18 18 TYR TYR D . n D 1 19 GLY 19 19 19 GLY GLY D . n D 1 20 SER 20 20 20 SER SER D . n D 1 21 PHE 21 21 21 PHE PHE D . n D 1 22 VAL 22 22 22 VAL VAL D . n D 1 23 PHE 23 23 23 PHE PHE D . n D 1 24 ILE 24 24 24 ILE ILE D . n D 1 25 MET 25 25 25 MET MET D . n D 1 26 GLN 26 26 26 GLN GLN D . n D 1 27 GLU 27 27 27 GLU GLU D . n D 1 28 ASP 28 28 28 ASP ASP D . n D 1 29 CYS 29 29 29 CYS CYS D . n D 1 30 ASN 30 30 30 ASN ASN D . n D 1 31 LEU 31 31 31 LEU LEU D . n D 1 32 VAL 32 32 32 VAL VAL D . n D 1 33 LEU 33 33 33 LEU LEU D . n D 1 34 TYR 34 34 34 TYR TYR D . n D 1 35 ASP 35 35 35 ASP ASP D . n D 1 36 VAL 36 36 36 VAL VAL D . n D 1 37 ASP 37 37 37 ASP ASP D . n D 1 38 LYS 38 38 38 LYS LYS D . n D 1 39 PRO 39 39 39 PRO PRO D . n D 1 40 ILE 40 40 40 ILE ILE D . n D 1 41 TRP 41 41 41 TRP TRP D . n D 1 42 ALA 42 42 42 ALA ALA D . n D 1 43 THR 43 43 43 THR THR D . n D 1 44 ASN 44 44 44 ASN ASN D . n D 1 45 THR 45 45 45 THR THR D . n D 1 46 GLY 46 46 46 GLY GLY D . n D 1 47 GLY 47 47 47 GLY GLY D . n D 1 48 LEU 48 48 48 LEU LEU D . n D 1 49 SER 49 49 49 SER SER D . n D 1 50 ARG 50 50 50 ARG ARG D . n D 1 51 SER 51 51 51 SER SER D . n D 1 52 CYS 52 52 52 CYS CYS D . n D 1 53 PHE 53 53 53 PHE PHE D . n D 1 54 LEU 54 54 54 LEU LEU D . n D 1 55 SER 55 55 55 SER SER D . n D 1 56 MET 56 56 56 MET MET D . n D 1 57 GLN 57 57 57 GLN GLN D . n D 1 58 THR 58 58 58 THR THR D . n D 1 59 ASP 59 59 59 ASP ASP D . n D 1 60 GLY 60 60 60 GLY GLY D . n D 1 61 ASN 61 61 61 ASN ASN D . n D 1 62 LEU 62 62 62 LEU LEU D . n D 1 63 VAL 63 63 63 VAL VAL D . n D 1 64 VAL 64 64 64 VAL VAL D . n D 1 65 TYR 65 65 65 TYR TYR D . n D 1 66 ASN 66 66 66 ASN ASN D . n D 1 67 PRO 67 67 67 PRO PRO D . n D 1 68 SER 68 68 68 SER SER D . n D 1 69 ASN 69 69 69 ASN ASN D . n D 1 70 LYS 70 70 70 LYS LYS D . n D 1 71 PRO 71 71 71 PRO PRO D . n D 1 72 ILE 72 72 72 ILE ILE D . n D 1 73 TRP 73 73 73 TRP TRP D . n D 1 74 ALA 74 74 74 ALA ALA D . n D 1 75 SER 75 75 75 SER SER D . n D 1 76 ASN 76 76 76 ASN ASN D . n D 1 77 THR 77 77 77 THR THR D . n D 1 78 GLY 78 78 78 GLY GLY D . n D 1 79 GLY 79 79 79 GLY GLY D . n D 1 80 GLN 80 80 80 GLN GLN D . n D 1 81 ASN 81 81 81 ASN ASN D . n D 1 82 GLY 82 82 82 GLY GLY D . n D 1 83 ASN 83 83 83 ASN ASN D . n D 1 84 TYR 84 84 84 TYR TYR D . n D 1 85 VAL 85 85 85 VAL VAL D . n D 1 86 CYS 86 86 86 CYS CYS D . n D 1 87 ILE 87 87 87 ILE ILE D . n D 1 88 LEU 88 88 88 LEU LEU D . n D 1 89 GLN 89 89 89 GLN GLN D . n D 1 90 LYS 90 90 90 LYS LYS D . n D 1 91 ASP 91 91 91 ASP ASP D . n D 1 92 ARG 92 92 92 ARG ARG D . n D 1 93 ASN 93 93 93 ASN ASN D . n D 1 94 VAL 94 94 94 VAL VAL D . n D 1 95 VAL 95 95 95 VAL VAL D . n D 1 96 ILE 96 96 96 ILE ILE D . n D 1 97 TYR 97 97 97 TYR TYR D . n D 1 98 GLY 98 98 98 GLY GLY D . n D 1 99 THR 99 99 99 THR THR D . n D 1 100 ASP 100 100 100 ASP ASP D . n D 1 101 ARG 101 101 101 ARG ARG D . n D 1 102 TRP 102 102 102 TRP TRP D . n D 1 103 ALA 103 103 103 ALA ALA D . n D 1 104 THR 104 104 104 THR THR D . n D 1 105 GLY 105 105 105 GLY GLY D . n D 1 106 THR 106 106 106 THR THR D . n D 1 107 HIS 107 107 107 HIS HIS D . n D 1 108 THR 108 108 108 THR THR D . n D 1 109 GLY 109 109 109 GLY GLY D . 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 E 2 MMA 1 110 110 MMA MMA A . F 2 MMA 1 111 111 MMA MMA A . G 2 MMA 1 112 112 MMA MMA A . H 2 MMA 1 110 110 MMA MMA B . I 2 MMA 1 111 111 MMA MMA B . J 2 MMA 1 112 112 MMA MMA B . K 2 MMA 1 110 110 MMA MMA C . L 2 MMA 1 111 111 MMA MMA C . M 2 MMA 1 112 112 MMA MMA C . N 2 MMA 1 110 110 MMA MMA D . O 2 MMA 1 111 111 MMA MMA D . P 2 MMA 1 112 112 MMA MMA D . Q 3 HOH 1 113 15 HOH HOH A . Q 3 HOH 2 114 16 HOH HOH A . Q 3 HOH 3 115 17 HOH HOH A . Q 3 HOH 4 116 18 HOH HOH A . Q 3 HOH 5 117 19 HOH HOH A . Q 3 HOH 6 118 20 HOH HOH A . Q 3 HOH 7 119 21 HOH HOH A . Q 3 HOH 8 120 22 HOH HOH A . Q 3 HOH 9 121 23 HOH HOH A . Q 3 HOH 10 122 24 HOH HOH A . Q 3 HOH 11 123 25 HOH HOH A . Q 3 HOH 12 124 26 HOH HOH A . Q 3 HOH 13 125 28 HOH HOH A . Q 3 HOH 14 126 29 HOH HOH A . Q 3 HOH 15 127 30 HOH HOH A . Q 3 HOH 16 128 31 HOH HOH A . Q 3 HOH 17 129 32 HOH HOH A . Q 3 HOH 18 130 33 HOH HOH A . Q 3 HOH 19 131 34 HOH HOH A . Q 3 HOH 20 132 36 HOH HOH A . Q 3 HOH 21 133 41 HOH HOH A . Q 3 HOH 22 134 42 HOH HOH A . Q 3 HOH 23 135 43 HOH HOH A . Q 3 HOH 24 136 44 HOH HOH A . Q 3 HOH 25 137 45 HOH HOH A . Q 3 HOH 26 138 46 HOH HOH A . Q 3 HOH 27 139 47 HOH HOH A . Q 3 HOH 28 140 48 HOH HOH A . Q 3 HOH 29 141 63 HOH HOH A . Q 3 HOH 30 142 64 HOH HOH A . Q 3 HOH 31 143 66 HOH HOH A . Q 3 HOH 32 144 67 HOH HOH A . Q 3 HOH 33 145 99 HOH HOH A . Q 3 HOH 34 146 100 HOH HOH A . Q 3 HOH 35 147 105 HOH HOH A . Q 3 HOH 36 148 107 HOH HOH A . Q 3 HOH 37 149 108 HOH HOH A . Q 3 HOH 38 150 109 HOH HOH A . Q 3 HOH 39 151 110 HOH HOH A . Q 3 HOH 40 152 112 HOH HOH A . Q 3 HOH 41 153 113 HOH HOH A . Q 3 HOH 42 154 146 HOH HOH A . Q 3 HOH 43 155 147 HOH HOH A . Q 3 HOH 44 156 148 HOH HOH A . Q 3 HOH 45 157 149 HOH HOH A . Q 3 HOH 46 158 155 HOH HOH A . Q 3 HOH 47 159 157 HOH HOH A . Q 3 HOH 48 160 206 HOH HOH A . Q 3 HOH 49 161 207 HOH HOH A . Q 3 HOH 50 162 299 HOH HOH A . Q 3 HOH 51 163 300 HOH HOH A . Q 3 HOH 52 164 301 HOH HOH A . Q 3 HOH 53 165 302 HOH HOH A . Q 3 HOH 54 166 303 HOH HOH A . Q 3 HOH 55 167 304 HOH HOH A . Q 3 HOH 56 168 305 HOH HOH A . Q 3 HOH 57 169 306 HOH HOH A . Q 3 HOH 58 170 307 HOH HOH A . Q 3 HOH 59 171 308 HOH HOH A . Q 3 HOH 60 172 309 HOH HOH A . Q 3 HOH 61 173 310 HOH HOH A . Q 3 HOH 62 174 311 HOH HOH A . Q 3 HOH 63 175 312 HOH HOH A . Q 3 HOH 64 176 313 HOH HOH A . Q 3 HOH 65 177 314 HOH HOH A . Q 3 HOH 66 178 315 HOH HOH A . Q 3 HOH 67 179 316 HOH HOH A . Q 3 HOH 68 180 317 HOH HOH A . Q 3 HOH 69 181 318 HOH HOH A . Q 3 HOH 70 182 319 HOH HOH A . Q 3 HOH 71 183 320 HOH HOH A . Q 3 HOH 72 184 321 HOH HOH A . Q 3 HOH 73 185 323 HOH HOH A . R 3 HOH 1 113 49 HOH HOH B . R 3 HOH 2 114 50 HOH HOH B . R 3 HOH 3 115 51 HOH HOH B . R 3 HOH 4 116 52 HOH HOH B . R 3 HOH 5 117 53 HOH HOH B . R 3 HOH 6 118 54 HOH HOH B . R 3 HOH 7 119 55 HOH HOH B . R 3 HOH 8 120 56 HOH HOH B . R 3 HOH 9 121 57 HOH HOH B . R 3 HOH 10 122 58 HOH HOH B . R 3 HOH 11 123 59 HOH HOH B . R 3 HOH 12 124 60 HOH HOH B . R 3 HOH 13 125 61 HOH HOH B . R 3 HOH 14 126 62 HOH HOH B . R 3 HOH 15 127 114 HOH HOH B . R 3 HOH 16 128 159 HOH HOH B . R 3 HOH 17 129 160 HOH HOH B . R 3 HOH 18 130 163 HOH HOH B . R 3 HOH 19 131 165 HOH HOH B . R 3 HOH 20 132 185 HOH HOH B . R 3 HOH 21 133 193 HOH HOH B . R 3 HOH 22 134 194 HOH HOH B . R 3 HOH 23 135 195 HOH HOH B . R 3 HOH 24 136 196 HOH HOH B . R 3 HOH 25 137 198 HOH HOH B . R 3 HOH 26 138 199 HOH HOH B . R 3 HOH 27 139 200 HOH HOH B . R 3 HOH 28 140 201 HOH HOH B . R 3 HOH 29 141 202 HOH HOH B . R 3 HOH 30 142 203 HOH HOH B . R 3 HOH 31 143 204 HOH HOH B . R 3 HOH 32 144 205 HOH HOH B . R 3 HOH 33 145 208 HOH HOH B . R 3 HOH 34 146 209 HOH HOH B . R 3 HOH 35 147 210 HOH HOH B . R 3 HOH 36 148 211 HOH HOH B . R 3 HOH 37 149 212 HOH HOH B . R 3 HOH 38 150 213 HOH HOH B . R 3 HOH 39 151 214 HOH HOH B . R 3 HOH 40 152 215 HOH HOH B . R 3 HOH 41 153 216 HOH HOH B . R 3 HOH 42 154 217 HOH HOH B . R 3 HOH 43 155 218 HOH HOH B . R 3 HOH 44 156 219 HOH HOH B . R 3 HOH 45 157 220 HOH HOH B . R 3 HOH 46 158 221 HOH HOH B . R 3 HOH 47 159 222 HOH HOH B . R 3 HOH 48 160 223 HOH HOH B . R 3 HOH 49 161 224 HOH HOH B . R 3 HOH 50 162 225 HOH HOH B . R 3 HOH 51 163 227 HOH HOH B . R 3 HOH 52 164 228 HOH HOH B . R 3 HOH 53 165 229 HOH HOH B . R 3 HOH 54 166 237 HOH HOH B . R 3 HOH 55 167 238 HOH HOH B . R 3 HOH 56 168 239 HOH HOH B . R 3 HOH 57 169 240 HOH HOH B . R 3 HOH 58 170 241 HOH HOH B . R 3 HOH 59 171 242 HOH HOH B . R 3 HOH 60 172 245 HOH HOH B . R 3 HOH 61 173 246 HOH HOH B . R 3 HOH 62 174 325 HOH HOH B . R 3 HOH 63 175 326 HOH HOH B . S 3 HOH 1 113 4 HOH HOH C . S 3 HOH 2 114 5 HOH HOH C . S 3 HOH 3 115 6 HOH HOH C . S 3 HOH 4 116 7 HOH HOH C . S 3 HOH 5 117 8 HOH HOH C . S 3 HOH 6 118 69 HOH HOH C . S 3 HOH 7 119 70 HOH HOH C . S 3 HOH 8 120 71 HOH HOH C . S 3 HOH 9 121 72 HOH HOH C . S 3 HOH 10 122 73 HOH HOH C . S 3 HOH 11 123 78 HOH HOH C . S 3 HOH 12 124 79 HOH HOH C . S 3 HOH 13 125 80 HOH HOH C . S 3 HOH 14 126 81 HOH HOH C . S 3 HOH 15 127 82 HOH HOH C . S 3 HOH 16 128 83 HOH HOH C . S 3 HOH 17 129 84 HOH HOH C . S 3 HOH 18 130 85 HOH HOH C . S 3 HOH 19 131 86 HOH HOH C . S 3 HOH 20 132 87 HOH HOH C . S 3 HOH 21 133 88 HOH HOH C . S 3 HOH 22 134 115 HOH HOH C . S 3 HOH 23 135 116 HOH HOH C . S 3 HOH 24 136 117 HOH HOH C . S 3 HOH 25 137 120 HOH HOH C . S 3 HOH 26 138 121 HOH HOH C . S 3 HOH 27 139 161 HOH HOH C . S 3 HOH 28 140 162 HOH HOH C . S 3 HOH 29 141 164 HOH HOH C . S 3 HOH 30 142 166 HOH HOH C . S 3 HOH 31 143 167 HOH HOH C . S 3 HOH 32 144 168 HOH HOH C . S 3 HOH 33 145 169 HOH HOH C . S 3 HOH 34 146 170 HOH HOH C . S 3 HOH 35 147 171 HOH HOH C . S 3 HOH 36 148 172 HOH HOH C . S 3 HOH 37 149 173 HOH HOH C . S 3 HOH 38 150 174 HOH HOH C . S 3 HOH 39 151 175 HOH HOH C . S 3 HOH 40 152 176 HOH HOH C . S 3 HOH 41 153 177 HOH HOH C . S 3 HOH 42 154 178 HOH HOH C . S 3 HOH 43 155 179 HOH HOH C . S 3 HOH 44 156 180 HOH HOH C . S 3 HOH 45 157 181 HOH HOH C . S 3 HOH 46 158 182 HOH HOH C . S 3 HOH 47 159 183 HOH HOH C . S 3 HOH 48 160 184 HOH HOH C . S 3 HOH 49 161 186 HOH HOH C . S 3 HOH 50 162 187 HOH HOH C . S 3 HOH 51 163 188 HOH HOH C . S 3 HOH 52 164 189 HOH HOH C . S 3 HOH 53 165 190 HOH HOH C . S 3 HOH 54 166 191 HOH HOH C . S 3 HOH 55 167 192 HOH HOH C . S 3 HOH 56 168 197 HOH HOH C . S 3 HOH 57 169 226 HOH HOH C . S 3 HOH 58 170 230 HOH HOH C . S 3 HOH 59 171 231 HOH HOH C . S 3 HOH 60 172 232 HOH HOH C . S 3 HOH 61 173 233 HOH HOH C . S 3 HOH 62 174 234 HOH HOH C . S 3 HOH 63 175 235 HOH HOH C . S 3 HOH 64 176 236 HOH HOH C . S 3 HOH 65 177 243 HOH HOH C . S 3 HOH 66 178 244 HOH HOH C . S 3 HOH 67 179 247 HOH HOH C . S 3 HOH 68 180 248 HOH HOH C . S 3 HOH 69 181 249 HOH HOH C . S 3 HOH 70 182 250 HOH HOH C . S 3 HOH 71 183 251 HOH HOH C . S 3 HOH 72 184 252 HOH HOH C . S 3 HOH 73 185 253 HOH HOH C . S 3 HOH 74 186 254 HOH HOH C . S 3 HOH 75 187 255 HOH HOH C . S 3 HOH 76 188 256 HOH HOH C . S 3 HOH 77 189 257 HOH HOH C . S 3 HOH 78 190 258 HOH HOH C . S 3 HOH 79 191 259 HOH HOH C . S 3 HOH 80 192 260 HOH HOH C . S 3 HOH 81 193 261 HOH HOH C . S 3 HOH 82 194 262 HOH HOH C . S 3 HOH 83 195 263 HOH HOH C . S 3 HOH 84 196 264 HOH HOH C . S 3 HOH 85 197 265 HOH HOH C . S 3 HOH 86 198 266 HOH HOH C . S 3 HOH 87 199 269 HOH HOH C . S 3 HOH 88 200 270 HOH HOH C . S 3 HOH 89 201 271 HOH HOH C . S 3 HOH 90 202 272 HOH HOH C . S 3 HOH 91 203 273 HOH HOH C . S 3 HOH 92 204 274 HOH HOH C . S 3 HOH 93 205 275 HOH HOH C . S 3 HOH 94 206 276 HOH HOH C . S 3 HOH 95 207 277 HOH HOH C . S 3 HOH 96 208 281 HOH HOH C . S 3 HOH 97 209 282 HOH HOH C . S 3 HOH 98 210 327 HOH HOH C . T 3 HOH 1 113 1 HOH HOH D . T 3 HOH 2 114 2 HOH HOH D . T 3 HOH 3 115 3 HOH HOH D . T 3 HOH 4 116 9 HOH HOH D . T 3 HOH 5 117 10 HOH HOH D . T 3 HOH 6 118 11 HOH HOH D . T 3 HOH 7 119 12 HOH HOH D . T 3 HOH 8 120 13 HOH HOH D . T 3 HOH 9 121 14 HOH HOH D . T 3 HOH 10 122 27 HOH HOH D . T 3 HOH 11 123 35 HOH HOH D . T 3 HOH 12 124 37 HOH HOH D . T 3 HOH 13 125 38 HOH HOH D . T 3 HOH 14 126 39 HOH HOH D . T 3 HOH 15 127 40 HOH HOH D . T 3 HOH 16 128 65 HOH HOH D . T 3 HOH 17 129 68 HOH HOH D . T 3 HOH 18 130 74 HOH HOH D . T 3 HOH 19 131 75 HOH HOH D . T 3 HOH 20 132 76 HOH HOH D . T 3 HOH 21 133 77 HOH HOH D . T 3 HOH 22 134 89 HOH HOH D . T 3 HOH 23 135 90 HOH HOH D . T 3 HOH 24 136 91 HOH HOH D . T 3 HOH 25 137 92 HOH HOH D . T 3 HOH 26 138 93 HOH HOH D . T 3 HOH 27 139 94 HOH HOH D . T 3 HOH 28 140 95 HOH HOH D . T 3 HOH 29 141 96 HOH HOH D . T 3 HOH 30 142 97 HOH HOH D . T 3 HOH 31 143 98 HOH HOH D . T 3 HOH 32 144 101 HOH HOH D . T 3 HOH 33 145 102 HOH HOH D . T 3 HOH 34 146 103 HOH HOH D . T 3 HOH 35 147 104 HOH HOH D . T 3 HOH 36 148 106 HOH HOH D . T 3 HOH 37 149 111 HOH HOH D . T 3 HOH 38 150 118 HOH HOH D . T 3 HOH 39 151 119 HOH HOH D . T 3 HOH 40 152 122 HOH HOH D . T 3 HOH 41 153 123 HOH HOH D . T 3 HOH 42 154 124 HOH HOH D . T 3 HOH 43 155 125 HOH HOH D . T 3 HOH 44 156 126 HOH HOH D . T 3 HOH 45 157 127 HOH HOH D . T 3 HOH 46 158 128 HOH HOH D . T 3 HOH 47 159 129 HOH HOH D . T 3 HOH 48 160 130 HOH HOH D . T 3 HOH 49 161 131 HOH HOH D . T 3 HOH 50 162 132 HOH HOH D . T 3 HOH 51 163 133 HOH HOH D . T 3 HOH 52 164 134 HOH HOH D . T 3 HOH 53 165 135 HOH HOH D . T 3 HOH 54 166 136 HOH HOH D . T 3 HOH 55 167 137 HOH HOH D . T 3 HOH 56 168 138 HOH HOH D . T 3 HOH 57 169 139 HOH HOH D . T 3 HOH 58 170 140 HOH HOH D . T 3 HOH 59 171 141 HOH HOH D . T 3 HOH 60 172 142 HOH HOH D . T 3 HOH 61 173 143 HOH HOH D . T 3 HOH 62 174 144 HOH HOH D . T 3 HOH 63 175 145 HOH HOH D . T 3 HOH 64 176 150 HOH HOH D . T 3 HOH 65 177 151 HOH HOH D . T 3 HOH 66 178 152 HOH HOH D . T 3 HOH 67 179 153 HOH HOH D . T 3 HOH 68 180 154 HOH HOH D . T 3 HOH 69 181 156 HOH HOH D . T 3 HOH 70 182 158 HOH HOH D . T 3 HOH 71 183 267 HOH HOH D . T 3 HOH 72 184 268 HOH HOH D . T 3 HOH 73 185 278 HOH HOH D . T 3 HOH 74 186 279 HOH HOH D . T 3 HOH 75 187 280 HOH HOH D . T 3 HOH 76 188 283 HOH HOH D . T 3 HOH 77 189 284 HOH HOH D . T 3 HOH 78 190 285 HOH HOH D . T 3 HOH 79 191 286 HOH HOH D . T 3 HOH 80 192 287 HOH HOH D . T 3 HOH 81 193 288 HOH HOH D . T 3 HOH 82 194 289 HOH HOH D . T 3 HOH 83 195 290 HOH HOH D . T 3 HOH 84 196 291 HOH HOH D . T 3 HOH 85 197 292 HOH HOH D . T 3 HOH 86 198 293 HOH HOH D . T 3 HOH 87 199 294 HOH HOH D . T 3 HOH 88 200 295 HOH HOH D . T 3 HOH 89 201 296 HOH HOH D . T 3 HOH 90 202 297 HOH HOH D . T 3 HOH 91 203 298 HOH HOH D . T 3 HOH 92 204 322 HOH HOH D . T 3 HOH 93 205 324 HOH HOH D . # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details _entity.assembly_id 1 polymer nat AGGLUTININ 12061.348 4 ? ? ? ? 1 2 non-polymer man "methyl alpha-D-mannopyranoside" 194.182 12 ? ? ? ? 1 3 water nat water 18.015 4 ? ? ? ? 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 ;DNILYSGETLSTGEFLNYGSFVFIMQEDCNLVLYDVDKPIWATNTGGLSRSCFLSMQTDGNLVVYNPSNKPIWASNTGGQ NGNYVCILQKDRNVVIYGTDRWATGTHTG ; _entity_poly.pdbx_seq_one_letter_code_can ;DNILYSGETLSTGEFLNYGSFVFIMQEDCNLVLYDVDKPIWATNTGGLSRSCFLSMQTDGNLVVYNPSNKPIWASNTGGQ NGNYVCILQKDRNVVIYGTDRWATGTHTG ; _entity_poly.pdbx_strand_id A,B,C,D _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 "methyl alpha-D-mannopyranoside" MMA 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 1MSA 1 1 polypeptide(L) AGGLUTININ 1MSA 1 2 ligand "methyl alpha-D-mannopyranoside" 1MSA 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 1MSA 1 1 1 A A A A "_1" 1MSA 1 1 1 B B B B "_1" 1MSA 1 1 1 C C C C "_1" 1MSA 1 1 1 D D D D "_1" 1MSA 1 1 2 A E E E "_1" 1MSA 1 1 2 A F F F "_1" 1MSA 1 1 2 A G G G "_1" 1MSA 1 1 2 B H H H "_1" 1MSA 1 1 2 B I I I "_1" 1MSA 1 1 2 B J J J "_1" 1MSA 1 1 2 C K K K "_1" 1MSA 1 1 2 C L L L "_1" 1MSA 1 1 2 C M M M "_1" 1MSA 1 1 2 D N N N "_1" 1MSA 1 1 2 D O O O "_1" 1MSA 1 1 2 D P P P "_1" 1MSA 1 1 3 A Q Q Q "_1" 1MSA 1 1 3 B R R R "_1" 1MSA 1 1 3 C S S S "_1" 1MSA 1 1 3 D T T T "_1" #