data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 ILE 0 3 ILE 0 4 ASP 0 5 ARG 0 6 GLN 0 7 ALA 0 8 ALA 0 9 PHE 0 10 SER 0 11 ILE 0 12 GLN 0 13 PHE 0 14 CYS 0 15 PRO 0 16 GLY 0 17 GLN 0 18 SER 0 19 LEU 0 20 SER 0 21 PHE 0 22 VAL 0 23 SER 0 24 SER 0 25 CYS 0 26 TYR 0 27 PRO 0 28 PHE 0 29 PHE 0 30 SER 0 31 TYR 0 32 LEU 0 33 LEU 0 34 PRO 0 35 ILE 0 36 PRO 0 37 THR 0 38 ALA 0 39 VAL 0 40 CYS 0 41 SER 0 42 PHE 0 43 ALA 0 44 PHE 0 45 LEU 0 46 PHE 0 47 CYS 0 48 ALA 0 49 PRO 0 50 LEU 0 51 GLN 0 52 ASP 0 53 SER 0 54 SER 0 55 LEU 0 56 CYS 0 57 SER 0 58 LEU 0 59 ILE 0 60 ILE 0 61 PHE 0 62 VAL 0 63 MET 0 64 TYR 0 65 VAL 0 66 PRO 0 67 SER 0 68 THR 0 69 SER 0 70 ARG 0 71 ILE 0 72 PHE 0 73 SER 0 74 CYS 0 75 VAL 0 76 LYS 0 77 ASN 0 78 THR 0 79 SER 0 80 LEU 0 81 TYR 0 82 VAL 0 83 PHE 0 84 PHE 0 85 ARG 0 86 PHE 0 87 GLY # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 23.187 7.824 7.725 1.00 29.72 1 A 1 ATOM 2 C CA . MET A 0 1 . 22.336 6.908 8.510 1.00 29.72 1 A 1 ATOM 3 C C . MET A 0 1 . 21.715 5.935 7.527 1.00 29.72 1 A 1 ATOM 4 C CB . MET A 0 1 . 21.296 7.714 9.308 1.00 29.72 1 A 1 ATOM 5 O O . MET A 0 1 . 20.854 6.331 6.753 1.00 29.72 1 A 1 ATOM 6 C CG . MET A 0 1 . 20.381 6.863 10.192 1.00 29.72 1 A 1 ATOM 7 S SD . MET A 0 1 . 19.220 7.873 11.152 1.00 29.72 1 A 1 ATOM 8 C CE . MET A 0 1 . 20.028 7.912 12.776 1.00 29.72 1 A 1 ATOM 9 N N . ILE A 0 2 . 22.260 4.722 7.454 1.00 25.59 2 A 1 ATOM 10 C CA . ILE A 0 2 . 21.683 3.639 6.654 1.00 25.59 2 A 1 ATOM 11 C C . ILE A 0 2 . 20.469 3.174 7.454 1.00 25.59 2 A 1 ATOM 12 C CB . ILE A 0 2 . 22.726 2.514 6.432 1.00 25.59 2 A 1 ATOM 13 O O . ILE A 0 2 . 20.630 2.630 8.540 1.00 25.59 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . 23.949 3.059 5.653 1.00 25.59 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . 22.094 1.323 5.689 1.00 25.59 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . 25.127 2.079 5.571 1.00 25.59 2 A 1 ATOM 17 N N . ILE A 0 3 . 19.268 3.498 6.986 1.00 34.99 3 A 1 ATOM 18 C CA . ILE A 0 3 . 18.039 2.961 7.567 1.00 34.99 3 A 1 ATOM 19 C C . ILE A 0 3 . 17.847 1.603 6.896 1.00 34.99 3 A 1 ATOM 20 C CB . ILE A 0 3 . 16.851 3.936 7.401 1.00 34.99 3 A 1 ATOM 21 O O . ILE A 0 3 . 17.650 1.530 5.681 1.00 34.99 3 A 1 ATOM 22 C CG1 . ILE A 0 3 . 17.198 5.314 8.019 1.00 34.99 3 A 1 ATOM 23 C CG2 . ILE A 0 3 . 15.596 3.340 8.066 1.00 34.99 3 A 1 ATOM 24 C CD1 . ILE A 0 3 . 16.121 6.389 7.826 1.00 34.99 3 A 1 ATOM 25 N N . ASP A 0 4 . 18.025 0.543 7.682 1.00 41.04 4 A 1 ATOM 26 C CA . ASP A 0 4 . 17.890 -0.852 7.275 1.00 41.04 4 A 1 ATOM 27 C C . ASP A 0 4 . 16.598 -1.092 6.473 1.00 41.04 4 A 1 ATOM 28 C CB . ASP A 0 4 . 17.972 -1.756 8.519 1.00 41.04 4 A 1 ATOM 29 O O . ASP A 0 4 . 15.514 -0.617 6.816 1.00 41.04 4 A 1 ATOM 30 C CG . ASP A 0 4 . 19.333 -2.446 8.595 1.00 41.04 4 A 1 ATOM 31 O OD1 . ASP A 0 4 . 19.588 -3.243 7.663 1.00 41.04 4 A 1 ATOM 32 O OD2 . ASP A 0 4 . 20.102 -2.134 9.528 1.00 41.04 4 A 1 ATOM 33 N N . ARG A 0 5 . 16.741 -1.822 5.361 1.00 45.11 5 A 1 ATOM 34 C CA . ARG A 0 5 . 15.819 -1.923 4.211 1.00 45.11 5 A 1 ATOM 35 C C . ARG A 0 5 . 14.472 -2.641 4.465 1.00 45.11 5 A 1 ATOM 36 C CB . ARG A 0 5 . 16.592 -2.542 3.019 1.00 45.11 5 A 1 ATOM 37 O O . ARG A 0 5 . 13.883 -3.146 3.511 1.00 45.11 5 A 1 ATOM 38 C CG . ARG A 0 5 . 17.496 -1.561 2.255 1.00 45.11 5 A 1 ATOM 39 C CD . ARG A 0 5 . 18.096 -2.288 1.039 1.00 45.11 5 A 1 ATOM 40 N NE . ARG A 0 5 . 18.715 -1.369 0.064 1.00 45.11 5 A 1 ATOM 41 N NH1 . ARG A 0 5 . 19.233 -2.948 -1.532 1.00 45.11 5 A 1 ATOM 42 N NH2 . ARG A 0 5 . 19.497 -0.830 -2.023 1.00 45.11 5 A 1 ATOM 43 C CZ . ARG A 0 5 . 19.157 -1.715 -1.139 1.00 45.11 5 A 1 ATOM 44 N N . GLN A 0 6 . 13.945 -2.692 5.689 1.00 37.23 6 A 1 ATOM 45 C CA . GLN A 0 6 . 12.610 -3.249 5.972 1.00 37.23 6 A 1 ATOM 46 C C . GLN A 0 6 . 11.888 -2.487 7.091 1.00 37.23 6 A 1 ATOM 47 C CB . GLN A 0 6 . 12.681 -4.755 6.300 1.00 37.23 6 A 1 ATOM 48 O O . GLN A 0 6 . 11.893 -2.893 8.248 1.00 37.23 6 A 1 ATOM 49 C CG . GLN A 0 6 . 12.928 -5.636 5.067 1.00 37.23 6 A 1 ATOM 50 C CD . GLN A 0 6 . 12.823 -7.129 5.355 1.00 37.23 6 A 1 ATOM 51 N NE2 . GLN A 0 6 . 13.370 -7.962 4.497 1.00 37.23 6 A 1 ATOM 52 O OE1 . GLN A 0 6 . 12.247 -7.594 6.320 1.00 37.23 6 A 1 ATOM 53 N N . ALA A 0 7 . 11.186 -1.410 6.735 1.00 41.70 7 A 1 ATOM 54 C CA . ALA A 0 7 . 10.100 -0.908 7.570 1.00 41.70 7 A 1 ATOM 55 C C . ALA A 0 7 . 8.855 -1.767 7.301 1.00 41.70 7 A 1 ATOM 56 C CB . ALA A 0 7 . 9.890 0.587 7.302 1.00 41.70 7 A 1 ATOM 57 O O . ALA A 0 7 . 8.090 -1.497 6.376 1.00 41.70 7 A 1 ATOM 58 N N . ALA A 0 8 . 8.684 -2.841 8.070 1.00 45.68 8 A 1 ATOM 59 C CA . ALA A 0 8 . 7.407 -3.536 8.151 1.00 45.68 8 A 1 ATOM 60 C C . ALA A 0 8 . 6.576 -2.869 9.254 1.00 45.68 8 A 1 ATOM 61 C CB . ALA A 0 8 . 7.650 -5.030 8.401 1.00 45.68 8 A 1 ATOM 62 O O . ALA A 0 8 . 7.034 -2.766 10.390 1.00 45.68 8 A 1 ATOM 63 N N . PHE A 0 9 . 5.364 -2.415 8.935 1.00 43.45 9 A 1 ATOM 64 C CA . PHE A 0 9 . 4.387 -2.013 9.944 1.00 43.45 9 A 1 ATOM 65 C C . PHE A 0 9 . 3.245 -3.029 9.966 1.00 43.45 9 A 1 ATOM 66 C CB . PHE A 0 9 . 3.927 -0.560 9.736 1.00 43.45 9 A 1 ATOM 67 O O . PHE A 0 9 . 2.783 -3.481 8.919 1.00 43.45 9 A 1 ATOM 68 C CG . PHE A 0 9 . 3.158 -0.289 8.455 1.00 43.45 9 A 1 ATOM 69 C CD1 . PHE A 0 9 . 3.832 0.128 7.291 1.00 43.45 9 A 1 ATOM 70 C CD2 . PHE A 0 9 . 1.761 -0.455 8.426 1.00 43.45 9 A 1 ATOM 71 C CE1 . PHE A 0 9 . 3.109 0.382 6.111 1.00 43.45 9 A 1 ATOM 72 C CE2 . PHE A 0 9 . 1.046 -0.226 7.237 1.00 43.45 9 A 1 ATOM 73 C CZ . PHE A 0 9 . 1.717 0.203 6.082 1.00 43.45 9 A 1 ATOM 74 N N . SER A 0 10 . 2.802 -3.408 11.162 1.00 40.73 10 A 1 ATOM 75 C CA . SER A 0 10 . 1.626 -4.253 11.357 1.00 40.73 10 A 1 ATOM 76 C C . SER A 0 10 . 0.481 -3.386 11.850 1.00 40.73 10 A 1 ATOM 77 C CB . SER A 0 10 . 1.915 -5.379 12.355 1.00 40.73 10 A 1 ATOM 78 O O . SER A 0 10 . 0.612 -2.735 12.886 1.00 40.73 10 A 1 ATOM 79 O OG . SER A 0 10 . 2.315 -4.853 13.606 1.00 40.73 10 A 1 ATOM 80 N N . ILE A 0 11 . -0.645 -3.399 11.143 1.00 46.81 11 A 1 ATOM 81 C CA . ILE A 0 11 . -1.886 -2.819 11.654 1.00 46.81 11 A 1 ATOM 82 C C . ILE A 0 11 . -2.738 -3.971 12.184 1.00 46.81 11 A 1 ATOM 83 C CB . ILE A 0 11 . -2.615 -1.948 10.610 1.00 46.81 11 A 1 ATOM 84 O O . ILE A 0 11 . -3.054 -4.907 11.447 1.00 46.81 11 A 1 ATOM 85 C CG1 . ILE A 0 11 . -1.658 -0.985 9.868 1.00 46.81 11 A 1 ATOM 86 C CG2 . ILE A 0 11 . -3.696 -1.153 11.365 1.00 46.81 11 A 1 ATOM 87 C CD1 . ILE A 0 11 . -2.334 -0.122 8.793 1.00 46.81 11 A 1 ATOM 88 N N . GLN A 0 12 . -3.051 -3.930 13.477 1.00 40.19 12 A 1 ATOM 89 C CA . GLN A 0 12 . -3.949 -4.882 14.128 1.00 40.19 12 A 1 ATOM 90 C C . GLN A 0 12 . -5.369 -4.319 14.108 1.00 40.19 12 A 1 ATOM 91 C CB . GLN A 0 12 . -3.477 -5.174 15.560 1.00 40.19 12 A 1 ATOM 92 O O . GLN A 0 12 . -5.575 -3.146 14.416 1.00 40.19 12 A 1 ATOM 93 C CG . GLN A 0 12 . -2.159 -5.965 15.584 1.00 40.19 12 A 1 ATOM 94 C CD . GLN A 0 12 . -1.706 -6.286 17.005 1.00 40.19 12 A 1 ATOM 95 N NE2 . GLN A 0 12 . -1.258 -7.493 17.274 1.00 40.19 12 A 1 ATOM 96 O OE1 . GLN A 0 12 . -1.737 -5.466 17.903 1.00 40.19 12 A 1 ATOM 97 N N . PHE A 0 13 . -6.341 -5.159 13.755 1.00 54.75 13 A 1 ATOM 98 C CA . PHE A 0 13 . -7.750 -4.774 13.673 1.00 54.75 13 A 1 ATOM 99 C C . PHE A 0 13 . -8.590 -5.581 14.651 1.00 54.75 13 A 1 ATOM 100 C CB . PHE A 0 13 . -8.267 -4.924 12.238 1.00 54.75 13 A 1 ATOM 101 O O . PHE A 0 13 . -8.305 -6.750 14.919 1.00 54.75 13 A 1 ATOM 102 C CG . PHE A 0 13 . -7.478 -4.092 11.255 1.00 54.75 13 A 1 ATOM 103 C CD1 . PHE A 0 13 . -7.634 -2.696 11.247 1.00 54.75 13 A 1 ATOM 104 C CD2 . PHE A 0 13 . -6.523 -4.702 10.420 1.00 54.75 13 A 1 ATOM 105 C CE1 . PHE A 0 13 . -6.813 -1.912 10.426 1.00 54.75 13 A 1 ATOM 106 C CE2 . PHE A 0 13 . -5.729 -3.919 9.568 1.00 54.75 13 A 1 ATOM 107 C CZ . PHE A 0 13 . -5.875 -2.525 9.573 1.00 54.75 13 A 1 ATOM 108 N N . CYS A 0 14 . -9.646 -4.955 15.167 1.00 45.90 14 A 1 ATOM 109 C CA . CYS A 0 14 . -10.606 -5.639 16.018 1.00 45.90 14 A 1 ATOM 110 C C . CYS A 0 14 . -11.449 -6.629 15.191 1.00 45.90 14 A 1 ATOM 111 C CB . CYS A 0 14 . -11.491 -4.621 16.748 1.00 45.90 14 A 1 ATOM 112 O O . CYS A 0 14 . -11.834 -6.315 14.059 1.00 45.90 14 A 1 ATOM 113 S SG . CYS A 0 14 . -10.481 -3.652 17.905 1.00 45.90 14 A 1 ATOM 114 N N . PRO A 0 15 . -11.784 -7.806 15.746 1.00 55.77 15 A 1 ATOM 115 C CA . PRO A 0 15 . -12.682 -8.755 15.095 1.00 55.77 15 A 1 ATOM 116 C C . PRO A 0 15 . -14.059 -8.112 14.846 1.00 55.77 15 A 1 ATOM 117 C CB . PRO A 0 15 . -12.741 -9.961 16.040 1.00 55.77 15 A 1 ATOM 118 O O . PRO A 0 15 . -14.622 -7.487 15.740 1.00 55.77 15 A 1 ATOM 119 C CG . PRO A 0 15 . -12.401 -9.378 17.413 1.00 55.77 15 A 1 ATOM 120 C CD . PRO A 0 15 . -11.425 -8.256 17.082 1.00 55.77 15 A 1 ATOM 121 N N . GLY A 0 16 . -14.592 -8.256 13.626 1.00 57.93 16 A 1 ATOM 122 C CA . GLY A 0 16 . -15.903 -7.721 13.215 1.00 57.93 16 A 1 ATOM 123 C C . GLY A 0 16 . -15.874 -6.474 12.319 1.00 57.93 16 A 1 ATOM 124 O O . GLY A 0 16 . -16.929 -6.041 11.863 1.00 57.93 16 A 1 ATOM 125 N N . GLN A 0 17 . -14.703 -5.901 12.023 1.00 60.16 17 A 1 ATOM 126 C CA . GLN A 0 17 . -14.588 -4.781 11.079 1.00 60.16 17 A 1 ATOM 127 C C . GLN A 0 17 . -14.531 -5.285 9.628 1.00 60.16 17 A 1 ATOM 128 C CB . GLN A 0 17 . -13.380 -3.900 11.432 1.00 60.16 17 A 1 ATOM 129 O O . GLN A 0 17 . -13.785 -6.213 9.315 1.00 60.16 17 A 1 ATOM 130 C CG . GLN A 0 17 . -13.531 -3.278 12.831 1.00 60.16 17 A 1 ATOM 131 C CD . GLN A 0 17 . -12.415 -2.304 13.192 1.00 60.16 17 A 1 ATOM 132 N NE2 . GLN A 0 17 . -12.435 -1.758 14.390 1.00 60.16 17 A 1 ATOM 133 O OE1 . GLN A 0 17 . -11.503 -2.013 12.439 1.00 60.16 17 A 1 ATOM 134 N N . SER A 0 18 . -15.309 -4.668 8.732 1.00 59.60 18 A 1 ATOM 135 C CA . SER A 0 18 . -15.188 -4.906 7.286 1.00 59.60 18 A 1 ATOM 136 C C . SER A 0 18 . -14.007 -4.106 6.744 1.00 59.60 18 A 1 ATOM 137 C CB . SER A 0 18 . -16.475 -4.540 6.543 1.00 59.60 18 A 1 ATOM 138 O O . SER A 0 18 . -13.931 -2.897 6.970 1.00 59.60 18 A 1 ATOM 139 O OG . SER A 0 18 . -17.506 -5.432 6.914 1.00 59.60 18 A 1 ATOM 140 N N . LEU A 0 19 . -13.086 -4.786 6.056 1.00 61.49 19 A 1 ATOM 141 C CA . LEU A 0 19 . -11.866 -4.199 5.508 1.00 61.49 19 A 1 ATOM 142 C C . LEU A 0 19 . -11.934 -4.216 3.984 1.00 61.49 19 A 1 ATOM 143 C CB . LEU A 0 19 . -10.650 -4.949 6.083 1.00 61.49 19 A 1 ATOM 144 O O . LEU A 0 19 . -11.951 -5.282 3.369 1.00 61.49 19 A 1 ATOM 145 C CG . LEU A 0 19 . -9.280 -4.307 5.773 1.00 61.49 19 A 1 ATOM 146 C CD1 . LEU A 0 19 . -8.306 -4.659 6.897 1.00 61.49 19 A 1 ATOM 147 C CD2 . LEU A 0 19 . -8.640 -4.822 4.479 1.00 61.49 19 A 1 ATOM 148 N N . SER A 0 20 . -11.917 -3.028 3.387 1.00 59.03 20 A 1 ATOM 149 C CA . SER A 0 20 . -11.736 -2.874 1.944 1.00 59.03 20 A 1 ATOM 150 C C . SER A 0 20 . -10.334 -2.344 1.682 1.00 59.03 20 A 1 ATOM 151 C CB . SER A 0 20 . -12.811 -1.972 1.336 1.00 59.03 20 A 1 ATOM 152 O O . SER A 0 20 . -9.963 -1.276 2.174 1.00 59.03 20 A 1 ATOM 153 O OG . SER A 0 20 . -14.073 -2.602 1.447 1.00 59.03 20 A 1 ATOM 154 N N . PHE A 0 21 . -9.553 -3.106 0.918 1.00 69.75 21 A 1 ATOM 155 C CA . PHE A 0 21 . -8.209 -2.737 0.487 1.00 69.75 21 A 1 ATOM 156 C C . PHE A 0 21 . -8.212 -2.435 -1.005 1.00 69.75 21 A 1 ATOM 157 C CB . PHE A 0 21 . -7.222 -3.864 0.806 1.00 69.75 21 A 1 ATOM 158 O O . PHE A 0 21 . -8.652 -3.258 -1.808 1.00 69.75 21 A 1 ATOM 159 C CG . PHE A 0 21 . -5.834 -3.630 0.240 1.00 69.75 21 A 1 ATOM 160 C CD1 . PHE A 0 21 . -5.375 -4.358 -0.873 1.00 69.75 21 A 1 ATOM 161 C CD2 . PHE A 0 21 . -5.015 -2.636 0.796 1.00 69.75 21 A 1 ATOM 162 C CE1 . PHE A 0 21 . -4.080 -4.142 -1.375 1.00 69.75 21 A 1 ATOM 163 C CE2 . PHE A 0 21 . -3.699 -2.457 0.337 1.00 69.75 21 A 1 ATOM 164 C CZ . PHE A 0 21 . -3.222 -3.232 -0.733 1.00 69.75 21 A 1 ATOM 165 N N . VAL A 0 22 . -7.676 -1.277 -1.375 1.00 70.10 22 A 1 ATOM 166 C CA . VAL A 0 22 . -7.454 -0.912 -2.774 1.00 70.10 22 A 1 ATOM 167 C C . VAL A 0 22 . -6.023 -0.421 -2.916 1.00 70.10 22 A 1 ATOM 168 C CB . VAL A 0 22 . -8.475 0.136 -3.258 1.00 70.10 22 A 1 ATOM 169 O O . VAL A 0 22 . -5.584 0.463 -2.185 1.00 70.10 22 A 1 ATOM 170 C CG1 . VAL A 0 22 . -8.260 0.475 -4.739 1.00 70.10 22 A 1 ATOM 171 C CG2 . VAL A 0 22 . -9.917 -0.369 -3.100 1.00 70.10 22 A 1 ATOM 172 N N . SER A 0 23 . -5.295 -0.983 -3.875 1.00 78.02 23 A 1 ATOM 173 C CA . SER A 0 23 . -3.973 -0.499 -4.267 1.00 78.02 23 A 1 ATOM 174 C C . SER A 0 23 . -3.992 -0.069 -5.722 1.00 78.02 23 A 1 ATOM 175 C CB . SER A 0 23 . -2.900 -1.564 -4.045 1.00 78.02 23 A 1 ATOM 176 O O . SER A 0 23 . -4.433 -0.836 -6.579 1.00 78.02 23 A 1 ATOM 177 O OG . SER A 0 23 . -3.148 -2.719 -4.825 1.00 78.02 23 A 1 ATOM 178 N N . SER A 0 24 . -3.455 1.110 -6.010 1.00 75.51 24 A 1 ATOM 179 C CA . SER A 0 24 . -3.234 1.574 -7.377 1.00 75.51 24 A 1 ATOM 180 C C . SER A 0 24 . -1.814 2.091 -7.531 1.00 75.51 24 A 1 ATOM 181 C CB . SER A 0 24 . -4.267 2.627 -7.787 1.00 75.51 24 A 1 ATOM 182 O O . SER A 0 24 . -1.328 2.823 -6.675 1.00 75.51 24 A 1 ATOM 183 O OG . SER A 0 24 . -4.309 3.743 -6.916 1.00 75.51 24 A 1 ATOM 184 N N . CYS A 0 25 . -1.152 1.717 -8.620 1.00 76.11 25 A 1 ATOM 185 C CA . CYS A 0 25 . 0.169 2.217 -8.977 1.00 76.11 25 A 1 ATOM 186 C C . CYS A 0 25 . 0.085 2.900 -10.334 1.00 76.11 25 A 1 ATOM 187 C CB . CYS A 0 25 . 1.178 1.068 -8.998 1.00 76.11 25 A 1 ATOM 188 O O . CYS A 0 25 . -0.415 2.308 -11.290 1.00 76.11 25 A 1 ATOM 189 S SG . CYS A 0 25 . 1.615 0.363 -7.388 1.00 76.11 25 A 1 ATOM 190 N N . TYR A 0 26 . 0.605 4.119 -10.422 1.00 73.00 26 A 1 ATOM 191 C CA . TYR A 0 26 . 0.652 4.887 -11.659 1.00 73.00 26 A 1 ATOM 192 C C . TYR A 0 26 . 2.109 5.205 -12.005 1.00 73.00 26 A 1 ATOM 193 C CB . TYR A 0 26 . -0.195 6.157 -11.523 1.00 73.00 26 A 1 ATOM 194 O O . TYR A 0 26 . 2.866 5.602 -11.114 1.00 73.00 26 A 1 ATOM 195 C CG . TYR A 0 26 . -1.640 5.873 -11.157 1.00 73.00 26 A 1 ATOM 196 C CD1 . TYR A 0 26 . -2.557 5.471 -12.148 1.00 73.00 26 A 1 ATOM 197 C CD2 . TYR A 0 26 . -2.053 5.972 -9.814 1.00 73.00 26 A 1 ATOM 198 C CE1 . TYR A 0 26 . -3.889 5.174 -11.796 1.00 73.00 26 A 1 ATOM 199 C CE2 . TYR A 0 26 . -3.384 5.682 -9.462 1.00 73.00 26 A 1 ATOM 200 O OH . TYR A 0 26 . -5.580 4.968 -10.108 1.00 73.00 26 A 1 ATOM 201 C CZ . TYR A 0 26 . -4.304 5.278 -10.453 1.00 73.00 26 A 1 ATOM 202 N N . PRO A 0 27 . 2.537 5.043 -13.270 1.00 72.12 27 A 1 ATOM 203 C CA . PRO A 0 27 . 3.841 5.532 -13.689 1.00 72.12 27 A 1 ATOM 204 C C . PRO A 0 27 . 3.847 7.062 -13.580 1.00 72.12 27 A 1 ATOM 205 C CB . PRO A 0 27 . 4.021 5.029 -15.124 1.00 72.12 27 A 1 ATOM 206 O O . PRO A 0 27 . 3.007 7.740 -14.167 1.00 72.12 27 A 1 ATOM 207 C CG . PRO A 0 27 . 2.590 4.925 -15.652 1.00 72.12 27 A 1 ATOM 208 C CD . PRO A 0 27 . 1.776 4.552 -14.413 1.00 72.12 27 A 1 ATOM 209 N N . PHE A 0 28 . 4.784 7.609 -12.812 1.00 70.74 28 A 1 ATOM 210 C CA . PHE A 0 28 . 4.978 9.044 -12.671 1.00 70.74 28 A 1 ATOM 211 C C . PHE A 0 28 . 6.231 9.448 -13.439 1.00 70.74 28 A 1 ATOM 212 C CB . PHE A 0 28 . 5.027 9.431 -11.193 1.00 70.74 28 A 1 ATOM 213 O O . PHE A 0 28 . 7.360 9.283 -12.970 1.00 70.74 28 A 1 ATOM 214 C CG . PHE A 0 28 . 5.030 10.931 -10.964 1.00 70.74 28 A 1 ATOM 215 C CD1 . PHE A 0 28 . 6.199 11.594 -10.544 1.00 70.74 28 A 1 ATOM 216 C CD2 . PHE A 0 28 . 3.845 11.665 -11.163 1.00 70.74 28 A 1 ATOM 217 C CE1 . PHE A 0 28 . 6.168 12.979 -10.293 1.00 70.74 28 A 1 ATOM 218 C CE2 . PHE A 0 28 . 3.825 13.053 -10.941 1.00 70.74 28 A 1 ATOM 219 C CZ . PHE A 0 28 . 4.986 13.710 -10.502 1.00 70.74 28 A 1 ATOM 220 N N . PHE A 0 29 . 6.020 9.973 -14.642 1.00 65.07 29 A 1 ATOM 221 C CA . PHE A 0 29 . 7.075 10.594 -15.430 1.00 65.07 29 A 1 ATOM 222 C C . PHE A 0 29 . 7.247 12.033 -14.954 1.00 65.07 29 A 1 ATOM 223 C CB . PHE A 0 29 . 6.744 10.504 -16.924 1.00 65.07 29 A 1 ATOM 224 O O . PHE A 0 29 . 6.614 12.953 -15.471 1.00 65.07 29 A 1 ATOM 225 C CG . PHE A 0 29 . 6.757 9.088 -17.461 1.00 65.07 29 A 1 ATOM 226 C CD1 . PHE A 0 29 . 7.975 8.498 -17.848 1.00 65.07 29 A 1 ATOM 227 C CD2 . PHE A 0 29 . 5.558 8.359 -17.570 1.00 65.07 29 A 1 ATOM 228 C CE1 . PHE A 0 29 . 7.992 7.185 -18.352 1.00 65.07 29 A 1 ATOM 229 C CE2 . PHE A 0 29 . 5.576 7.048 -18.077 1.00 65.07 29 A 1 ATOM 230 C CZ . PHE A 0 29 . 6.792 6.462 -18.469 1.00 65.07 29 A 1 ATOM 231 N N . SER A 0 30 . 8.091 12.247 -13.946 1.00 63.61 30 A 1 ATOM 232 C CA . SER A 0 30 . 8.579 13.603 -13.714 1.00 63.61 30 A 1 ATOM 233 C C . SER A 0 30 . 9.614 13.927 -14.786 1.00 63.61 30 A 1 ATOM 234 C CB . SER A 0 30 . 9.104 13.804 -12.293 1.00 63.61 30 A 1 ATOM 235 O O . SER A 0 30 . 10.616 13.229 -14.906 1.00 63.61 30 A 1 ATOM 236 O OG . SER A 0 30 . 10.325 13.151 -12.064 1.00 63.61 30 A 1 ATOM 237 N N . TYR A 0 31 . 9.404 15.004 -15.544 1.00 61.23 31 A 1 ATOM 238 C CA . TYR A 0 31 . 10.390 15.510 -16.510 1.00 61.23 31 A 1 ATOM 239 C C . TYR A 0 31 . 11.755 15.837 -15.870 1.00 61.23 31 A 1 ATOM 240 C CB . TYR A 0 31 . 9.813 16.758 -17.197 1.00 61.23 31 A 1 ATOM 241 O O . TYR A 0 31 . 12.736 16.035 -16.576 1.00 61.23 31 A 1 ATOM 242 C CG . TYR A 0 31 . 8.736 16.459 -18.223 1.00 61.23 31 A 1 ATOM 243 C CD1 . TYR A 0 31 . 9.113 16.159 -19.546 1.00 61.23 31 A 1 ATOM 244 C CD2 . TYR A 0 31 . 7.372 16.485 -17.869 1.00 61.23 31 A 1 ATOM 245 C CE1 . TYR A 0 31 . 8.131 15.887 -20.517 1.00 61.23 31 A 1 ATOM 246 C CE2 . TYR A 0 31 . 6.387 16.208 -18.838 1.00 61.23 31 A 1 ATOM 247 O OH . TYR A 0 31 . 5.825 15.652 -21.109 1.00 61.23 31 A 1 ATOM 248 C CZ . TYR A 0 31 . 6.767 15.911 -20.165 1.00 61.23 31 A 1 ATOM 249 N N . LEU A 0 32 . 11.817 15.897 -14.536 1.00 61.95 32 A 1 ATOM 250 C CA . LEU A 0 32 . 13.000 16.252 -13.760 1.00 61.95 32 A 1 ATOM 251 C C . LEU A 0 32 . 13.851 15.051 -13.325 1.00 61.95 32 A 1 ATOM 252 C CB . LEU A 0 32 . 12.542 17.072 -12.541 1.00 61.95 32 A 1 ATOM 253 O O . LEU A 0 32 . 15.009 15.252 -12.969 1.00 61.95 32 A 1 ATOM 254 C CG . LEU A 0 32 . 11.928 18.439 -12.898 1.00 61.95 32 A 1 ATOM 255 C CD1 . LEU A 0 32 . 11.304 19.063 -11.651 1.00 61.95 32 A 1 ATOM 256 C CD2 . LEU A 0 32 . 12.973 19.408 -13.453 1.00 61.95 32 A 1 ATOM 257 N N . LEU A 0 33 . 13.323 13.820 -13.339 1.00 57.82 33 A 1 ATOM 258 C CA . LEU A 0 33 . 14.075 12.633 -12.919 1.00 57.82 33 A 1 ATOM 259 C C . LEU A 0 33 . 14.155 11.609 -14.060 1.00 57.82 33 A 1 ATOM 260 C CB . LEU A 0 33 . 13.486 12.026 -11.633 1.00 57.82 33 A 1 ATOM 261 O O . LEU A 0 33 . 13.122 11.100 -14.489 1.00 57.82 33 A 1 ATOM 262 C CG . LEU A 0 33 . 13.838 12.848 -10.372 1.00 57.82 33 A 1 ATOM 263 C CD1 . LEU A 0 33 . 12.612 13.162 -9.516 1.00 57.82 33 A 1 ATOM 264 C CD2 . LEU A 0 33 . 14.834 12.071 -9.508 1.00 57.82 33 A 1 ATOM 265 N N . PRO A 0 34 . 15.366 11.231 -14.516 1.00 63.15 34 A 1 ATOM 266 C CA . PRO A 0 34 . 15.555 10.257 -15.597 1.00 63.15 34 A 1 ATOM 267 C C . PRO A 0 34 . 15.231 8.809 -15.189 1.00 63.15 34 A 1 ATOM 268 C CB . PRO A 0 34 . 17.022 10.422 -16.017 1.00 63.15 34 A 1 ATOM 269 O O . PRO A 0 34 . 15.411 7.889 -15.983 1.00 63.15 34 A 1 ATOM 270 C CG . PRO A 0 34 . 17.713 10.871 -14.731 1.00 63.15 34 A 1 ATOM 271 C CD . PRO A 0 34 . 16.654 11.740 -14.063 1.00 63.15 34 A 1 ATOM 272 N N . ILE A 0 35 . 14.786 8.579 -13.951 1.00 65.40 35 A 1 ATOM 273 C CA . ILE A 0 35 . 14.494 7.245 -13.429 1.00 65.40 35 A 1 ATOM 274 C C . ILE A 0 35 . 12.979 7.038 -13.484 1.00 65.40 35 A 1 ATOM 275 C CB . ILE A 0 35 . 15.061 7.055 -12.005 1.00 65.40 35 A 1 ATOM 276 O O . ILE A 0 35 . 12.252 7.846 -12.904 1.00 65.40 35 A 1 ATOM 277 C CG1 . ILE A 0 35 . 16.575 7.375 -11.979 1.00 65.40 35 A 1 ATOM 278 C CG2 . ILE A 0 35 . 14.797 5.611 -11.532 1.00 65.40 35 A 1 ATOM 279 C CD1 . ILE A 0 35 . 17.207 7.321 -10.584 1.00 65.40 35 A 1 ATOM 280 N N . PRO A 0 36 . 12.478 5.962 -14.119 1.00 63.07 36 A 1 ATOM 281 C CA . PRO A 0 36 . 11.057 5.663 -14.095 1.00 63.07 36 A 1 ATOM 282 C C . PRO A 0 36 . 10.620 5.406 -12.647 1.00 63.07 36 A 1 ATOM 283 C CB . PRO A 0 36 . 10.843 4.484 -15.054 1.00 63.07 36 A 1 ATOM 284 O O . PRO A 0 36 . 10.971 4.391 -12.039 1.00 63.07 36 A 1 ATOM 285 C CG . PRO A 0 36 . 12.238 3.962 -15.422 1.00 63.07 36 A 1 ATOM 286 C CD . PRO A 0 36 . 13.233 4.987 -14.888 1.00 63.07 36 A 1 ATOM 287 N N . THR A 0 37 . 9.876 6.348 -12.075 1.00 71.00 37 A 1 ATOM 288 C CA . THR A 0 37 . 9.269 6.239 -10.747 1.00 71.00 37 A 1 ATOM 289 C C . THR A 0 37 . 7.796 5.899 -10.899 1.00 71.00 37 A 1 ATOM 290 C CB . THR A 0 37 . 9.448 7.523 -9.924 1.00 71.00 37 A 1 ATOM 291 O O . THR A 0 37 . 7.099 6.505 -11.705 1.00 71.00 37 A 1 ATOM 292 C CG2 . THR A 0 37 . 10.898 7.678 -9.461 1.00 71.00 37 A 1 ATOM 293 O OG1 . THR A 0 37 . 9.109 8.686 -10.651 1.00 71.00 37 A 1 ATOM 294 N N . ALA A 0 38 . 7.303 4.934 -10.135 1.00 70.67 38 A 1 ATOM 295 C CA . ALA A 0 38 . 5.879 4.690 -9.972 1.00 70.67 38 A 1 ATOM 296 C C . ALA A 0 38 . 5.416 5.313 -8.653 1.00 70.67 38 A 1 ATOM 297 C CB . ALA A 0 38 . 5.608 3.184 -10.052 1.00 70.67 38 A 1 ATOM 298 O O . ALA A 0 38 . 6.111 5.236 -7.640 1.00 70.67 38 A 1 ATOM 299 N N . VAL A 0 39 . 4.239 5.924 -8.656 1.00 75.25 39 A 1 ATOM 300 C CA . VAL A 0 39 . 3.560 6.360 -7.436 1.00 75.25 39 A 1 ATOM 301 C C . VAL A 0 39 . 2.505 5.321 -7.125 1.00 75.25 39 A 1 ATOM 302 C CB . VAL A 0 39 . 2.957 7.763 -7.588 1.00 75.25 39 A 1 ATOM 303 O O . VAL A 0 39 . 1.584 5.114 -7.914 1.00 75.25 39 A 1 ATOM 304 C CG1 . VAL A 0 39 . 2.177 8.172 -6.333 1.00 75.25 39 A 1 ATOM 305 C CG2 . VAL A 0 39 . 4.085 8.777 -7.760 1.00 75.25 39 A 1 ATOM 306 N N . CYS A 0 40 . 2.654 4.655 -5.988 1.00 78.11 40 A 1 ATOM 307 C CA . CYS A 0 40 . 1.694 3.674 -5.518 1.00 78.11 40 A 1 ATOM 308 C C . CYS A 0 40 . 0.928 4.244 -4.334 1.00 78.11 40 A 1 ATOM 309 C CB . CYS A 0 40 . 2.406 2.362 -5.211 1.00 78.11 40 A 1 ATOM 310 O O . CYS A 0 40 . 1.527 4.669 -3.346 1.00 78.11 40 A 1 ATOM 311 S SG . CYS A 0 40 . 3.106 1.575 -6.685 1.00 78.11 40 A 1 ATOM 312 N N . SER A 0 41 . -0.395 4.254 -4.444 1.00 79.68 41 A 1 ATOM 313 C CA . SER A 0 41 . -1.307 4.576 -3.359 1.00 79.68 41 A 1 ATOM 314 C C . SER A 0 41 . -1.994 3.308 -2.856 1.00 79.68 41 A 1 ATOM 315 C CB . SER A 0 41 . -2.310 5.656 -3.769 1.00 79.68 41 A 1 ATOM 316 O O . SER A 0 41 . -2.434 2.457 -3.631 1.00 79.68 41 A 1 ATOM 317 O OG . SER A 0 41 . -3.052 5.252 -4.900 1.00 79.68 41 A 1 ATOM 318 N N . PHE A 0 42 . -2.088 3.190 -1.538 1.00 80.05 42 A 1 ATOM 319 C CA . PHE A 0 42 . -2.780 2.125 -0.826 1.00 80.05 42 A 1 ATOM 320 C C . PHE A 0 42 . -3.852 2.764 0.037 1.00 80.05 42 A 1 ATOM 321 C CB . PHE A 0 42 . -1.795 1.341 0.045 1.00 80.05 42 A 1 ATOM 322 O O . PHE A 0 42 . -3.534 3.584 0.893 1.00 80.05 42 A 1 ATOM 323 C CG . PHE A 0 42 . -0.636 0.759 -0.725 1.00 80.05 42 A 1 ATOM 324 C CD1 . PHE A 0 42 . -0.768 -0.491 -1.350 1.00 80.05 42 A 1 ATOM 325 C CD2 . PHE A 0 42 . 0.556 1.486 -0.852 1.00 80.05 42 A 1 ATOM 326 C CE1 . PHE A 0 42 . 0.300 -1.037 -2.083 1.00 80.05 42 A 1 ATOM 327 C CE2 . PHE A 0 42 . 1.612 0.949 -1.595 1.00 80.05 42 A 1 ATOM 328 C CZ . PHE A 0 42 . 1.496 -0.311 -2.199 1.00 80.05 42 A 1 ATOM 329 N N . ALA A 0 43 . -5.105 2.403 -0.188 1.00 77.12 43 A 1 ATOM 330 C CA . ALA A 0 43 . -6.233 2.879 0.587 1.00 77.12 43 A 1 ATOM 331 C C . ALA A 0 43 . -6.818 1.729 1.407 1.00 77.12 43 A 1 ATOM 332 C CB . ALA A 0 43 . -7.250 3.523 -0.357 1.00 77.12 43 A 1 ATOM 333 O O . ALA A 0 43 . -7.022 0.621 0.900 1.00 77.12 43 A 1 ATOM 334 N N . PHE A 0 44 . -7.105 2.020 2.668 1.00 77.55 44 A 1 ATOM 335 C CA . PHE A 0 44 . -7.717 1.098 3.604 1.00 77.55 44 A 1 ATOM 336 C C . PHE A 0 44 . -8.943 1.746 4.226 1.00 77.55 44 A 1 ATOM 337 C CB . PHE A 0 44 . -6.725 0.732 4.698 1.00 77.55 44 A 1 ATOM 338 O O . PHE A 0 44 . -8.819 2.761 4.912 1.00 77.55 44 A 1 ATOM 339 C CG . PHE A 0 44 . -5.399 0.176 4.254 1.00 77.55 44 A 1 ATOM 340 C CD1 . PHE A 0 44 . -5.268 -1.207 4.084 1.00 77.55 44 A 1 ATOM 341 C CD2 . PHE A 0 44 . -4.302 1.024 4.011 1.00 77.55 44 A 1 ATOM 342 C CE1 . PHE A 0 44 . -4.045 -1.726 3.645 1.00 77.55 44 A 1 ATOM 343 C CE2 . PHE A 0 44 . -3.074 0.481 3.590 1.00 77.55 44 A 1 ATOM 344 C CZ . PHE A 0 44 . -2.944 -0.897 3.409 1.00 77.55 44 A 1 ATOM 345 N N . LEU A 0 45 . -10.117 1.173 3.982 1.00 72.98 45 A 1 ATOM 346 C CA . LEU A 0 45 . -11.351 1.593 4.636 1.00 72.98 45 A 1 ATOM 347 C C . LEU A 0 45 . -11.666 0.620 5.770 1.00 72.98 45 A 1 ATOM 348 C CB . LEU A 0 45 . -12.481 1.676 3.599 1.00 72.98 45 A 1 ATOM 349 O O . LEU A 0 45 . -11.786 -0.585 5.534 1.00 72.98 45 A 1 ATOM 350 C CG . LEU A 0 45 . -13.791 2.264 4.156 1.00 72.98 45 A 1 ATOM 351 C CD1 . LEU A 0 45 . -13.673 3.764 4.439 1.00 72.98 45 A 1 ATOM 352 C CD2 . LEU A 0 45 . -14.912 2.061 3.138 1.00 72.98 45 A 1 ATOM 353 N N . PHE A 0 46 . -11.819 1.157 6.976 1.00 73.27 46 A 1 ATOM 354 C CA . PHE A 0 46 . -12.179 0.408 8.174 1.00 73.27 46 A 1 ATOM 355 C C . PHE A 0 46 . -13.474 0.963 8.728 1.00 73.27 46 A 1 ATOM 356 C CB . PHE A 0 46 . -11.077 0.537 9.231 1.00 73.27 46 A 1 ATOM 357 O O . PHE A 0 46 . -13.536 2.150 9.029 1.00 73.27 46 A 1 ATOM 358 C CG . PHE A 0 46 . -9.698 0.278 8.687 1.00 73.27 46 A 1 ATOM 359 C CD1 . PHE A 0 46 . -9.297 -1.037 8.407 1.00 73.27 46 A 1 ATOM 360 C CD2 . PHE A 0 46 . -8.846 1.357 8.395 1.00 73.27 46 A 1 ATOM 361 C CE1 . PHE A 0 46 . -8.025 -1.263 7.866 1.00 73.27 46 A 1 ATOM 362 C CE2 . PHE A 0 46 . -7.557 1.114 7.901 1.00 73.27 46 A 1 ATOM 363 C CZ . PHE A 0 46 . -7.130 -0.201 7.681 1.00 73.27 46 A 1 ATOM 364 N N . CYS A 0 47 . -14.487 0.120 8.894 1.00 72.36 47 A 1 ATOM 365 C CA . CYS A 0 47 . -15.723 0.512 9.561 1.00 72.36 47 A 1 ATOM 366 C C . CYS A 0 47 . -15.841 -0.214 10.903 1.00 72.36 47 A 1 ATOM 367 C CB . CYS A 0 47 . -16.911 0.294 8.624 1.00 72.36 47 A 1 ATOM 368 O O . CYS A 0 47 . -15.831 -1.446 10.949 1.00 72.36 47 A 1 ATOM 369 S SG . CYS A 0 47 . -16.887 1.286 7.097 1.00 72.36 47 A 1 ATOM 370 N N . ALA A 0 48 . -15.941 0.553 11.989 1.00 68.07 48 A 1 ATOM 371 C CA . ALA A 0 48 . -16.156 0.064 13.342 1.00 68.07 48 A 1 ATOM 372 C C . ALA A 0 48 . -17.606 0.344 13.778 1.00 68.07 48 A 1 ATOM 373 C CB . ALA A 0 48 . -15.138 0.715 14.284 1.00 68.07 48 A 1 ATOM 374 O O . ALA A 0 48 . -18.065 1.485 13.660 1.00 68.07 48 A 1 ATOM 375 N N . PRO A 0 49 . -18.335 -0.659 14.294 1.00 71.08 49 A 1 ATOM 376 C CA . PRO A 0 49 . -19.648 -0.432 14.882 1.00 71.08 49 A 1 ATOM 377 C C . PRO A 0 49 . -19.488 0.294 16.225 1.00 71.08 49 A 1 ATOM 378 C CB . PRO A 0 49 . -20.264 -1.827 15.022 1.00 71.08 49 A 1 ATOM 379 O O . PRO A 0 49 . -18.847 -0.216 17.143 1.00 71.08 49 A 1 ATOM 380 C CG . PRO A 0 49 . -19.053 -2.743 15.213 1.00 71.08 49 A 1 ATOM 381 C CD . PRO A 0 49 . -17.954 -2.063 14.397 1.00 71.08 49 A 1 ATOM 382 N N . LEU A 0 50 . -20.066 1.485 16.348 1.00 66.99 50 A 1 ATOM 383 C CA . LEU A 0 50 . -20.059 2.296 17.560 1.00 66.99 50 A 1 ATOM 384 C C . LEU A 0 50 . -21.494 2.455 18.068 1.00 66.99 50 A 1 ATOM 385 C CB . LEU A 0 50 . -19.391 3.656 17.255 1.00 66.99 50 A 1 ATOM 386 O O . LEU A 0 50 . -22.142 3.418 17.691 1.00 66.99 50 A 1 ATOM 387 C CG . LEU A 0 50 . -19.032 4.396 18.558 1.00 66.99 50 A 1 ATOM 388 C CD1 . LEU A 0 50 . -17.541 4.226 18.854 1.00 66.99 50 A 1 ATOM 389 C CD2 . LEU A 0 50 . -19.362 5.885 18.491 1.00 66.99 50 A 1 ATOM 390 N N . GLN A 0 51 . -21.957 1.513 18.899 1.00 71.34 51 A 1 ATOM 391 C CA . GLN A 0 51 . -23.254 1.448 19.615 1.00 71.34 51 A 1 ATOM 392 C C . GLN A 0 51 . -24.531 1.670 18.770 1.00 71.34 51 A 1 ATOM 393 C CB . GLN A 0 51 . -23.204 2.277 20.917 1.00 71.34 51 A 1 ATOM 394 O O . GLN A 0 51 . -25.356 0.769 18.721 1.00 71.34 51 A 1 ATOM 395 C CG . GLN A 0 51 . -22.229 1.639 21.931 1.00 71.34 51 A 1 ATOM 396 C CD . GLN A 0 51 . -22.154 2.342 23.286 1.00 71.34 51 A 1 ATOM 397 N NE2 . GLN A 0 51 . -21.302 1.883 24.179 1.00 71.34 51 A 1 ATOM 398 O OE1 . GLN A 0 51 . -22.825 3.306 23.592 1.00 71.34 51 A 1 ATOM 399 N N . ASP A 0 52 . -24.642 2.768 18.024 1.00 75.79 52 A 1 ATOM 400 C CA . ASP A 0 52 . -25.739 3.106 17.108 1.00 75.79 52 A 1 ATOM 401 C C . ASP A 0 52 . -25.263 3.640 15.738 1.00 75.79 52 A 1 ATOM 402 C CB . ASP A 0 52 . -26.619 4.155 17.794 1.00 75.79 52 A 1 ATOM 403 O O . ASP A 0 52 . -26.065 3.901 14.844 1.00 75.79 52 A 1 ATOM 404 C CG . ASP A 0 52 . -27.178 3.641 19.121 1.00 75.79 52 A 1 ATOM 405 O OD1 . ASP A 0 52 . -28.036 2.734 19.067 1.00 75.79 52 A 1 ATOM 406 O OD2 . ASP A 0 52 . -26.737 4.168 20.167 1.00 75.79 52 A 1 ATOM 407 N N . SER A 0 53 . -23.959 3.846 15.537 1.00 68.25 53 A 1 ATOM 408 C CA . SER A 0 53 . -23.390 4.436 14.317 1.00 68.25 53 A 1 ATOM 409 C C . SER A 0 53 . -22.180 3.650 13.825 1.00 68.25 53 A 1 ATOM 410 C CB . SER A 0 53 . -23.011 5.894 14.580 1.00 68.25 53 A 1 ATOM 411 O O . SER A 0 53 . -21.358 3.196 14.612 1.00 68.25 53 A 1 ATOM 412 O OG . SER A 0 53 . -24.186 6.655 14.762 1.00 68.25 53 A 1 ATOM 413 N N . SER A 0 54 . -22.033 3.488 12.510 1.00 74.54 54 A 1 ATOM 414 C CA . SER A 0 54 . -20.809 2.920 11.932 1.00 74.54 54 A 1 ATOM 415 C C . SER A 0 54 . -19.799 4.039 11.703 1.00 74.54 54 A 1 ATOM 416 C CB . SER A 0 54 . -21.107 2.175 10.631 1.00 74.54 54 A 1 ATOM 417 O O . SER A 0 54 . -20.017 4.902 10.855 1.00 74.54 54 A 1 ATOM 418 O OG . SER A 0 54 . -21.913 1.046 10.906 1.00 74.54 54 A 1 ATOM 419 N N . LEU A 0 55 . -18.695 4.039 12.450 1.00 78.66 55 A 1 ATOM 420 C CA . LEU A 0 55 . -17.576 4.936 12.174 1.00 78.66 55 A 1 ATOM 421 C C . LEU A 0 55 . -16.697 4.299 11.107 1.00 78.66 55 A 1 ATOM 422 C CB . LEU A 0 55 . -16.775 5.230 13.450 1.00 78.66 55 A 1 ATOM 423 O O . LEU A 0 55 . -16.042 3.292 11.366 1.00 78.66 55 A 1 ATOM 424 C CG . LEU A 0 55 . -17.474 6.157 14.457 1.00 78.66 55 A 1 ATOM 425 C CD1 . LEU A 0 55 . -16.539 6.342 15.652 1.00 78.66 55 A 1 ATOM 426 C CD2 . LEU A 0 55 . -17.775 7.544 13.882 1.00 78.66 55 A 1 ATOM 427 N N . CYS A 0 56 . -16.683 4.888 9.915 1.00 78.53 56 A 1 ATOM 428 C CA . CYS A 0 56 . -15.787 4.482 8.843 1.00 78.53 56 A 1 ATOM 429 C C . CYS A 0 56 . -14.602 5.448 8.746 1.00 78.53 56 A 1 ATOM 430 C CB . CYS A 0 56 . -16.564 4.342 7.535 1.00 78.53 56 A 1 ATOM 431 O O . CYS A 0 56 . -14.788 6.645 8.542 1.00 78.53 56 A 1 ATOM 432 S SG . CYS A 0 56 . -17.844 3.050 7.522 1.00 78.53 56 A 1 ATOM 433 N N . SER A 0 57 . -13.387 4.918 8.857 1.00 72.70 57 A 1 ATOM 434 C CA . SER A 0 57 . -12.130 5.650 8.712 1.00 72.70 57 A 1 ATOM 435 C C . SER A 0 57 . -11.389 5.155 7.477 1.00 72.70 57 A 1 ATOM 436 C CB . SER A 0 57 . -11.259 5.479 9.958 1.00 72.70 57 A 1 ATOM 437 O O . SER A 0 57 . -11.187 3.952 7.307 1.00 72.70 57 A 1 ATOM 438 O OG . SER A 0 57 . -11.879 6.102 11.066 1.00 72.70 57 A 1 ATOM 439 N N . LEU A 0 58 . -10.971 6.085 6.620 1.00 79.86 58 A 1 ATOM 440 C CA . LEU A 0 58 . -10.157 5.802 5.442 1.00 79.86 58 A 1 ATOM 441 C C . LEU A 0 58 . -8.712 6.226 5.710 1.00 79.86 58 A 1 ATOM 442 C CB . LEU A 0 58 . -10.759 6.527 4.225 1.00 79.86 58 A 1 ATOM 443 O O . LEU A 0 58 . -8.458 7.385 6.034 1.00 79.86 58 A 1 ATOM 444 C CG . LEU A 0 58 . -10.041 6.223 2.897 1.00 79.86 58 A 1 ATOM 445 C CD1 . LEU A 0 58 . -10.334 4.812 2.388 1.00 79.86 58 A 1 ATOM 446 C CD2 . LEU A 0 58 . -10.514 7.201 1.824 1.00 79.86 58 A 1 ATOM 447 N N . ILE A 0 59 . -7.765 5.308 5.539 1.00 77.17 59 A 1 ATOM 448 C CA . ILE A 0 59 . -6.331 5.594 5.618 1.00 77.17 59 A 1 ATOM 449 C C . ILE A 0 59 . -5.725 5.407 4.231 1.00 77.17 59 A 1 ATOM 450 C CB . ILE A 0 59 . -5.629 4.726 6.685 1.00 77.17 59 A 1 ATOM 451 O O . ILE A 0 59 . -5.863 4.339 3.638 1.00 77.17 59 A 1 ATOM 452 C CG1 . ILE A 0 59 . -6.375 4.774 8.040 1.00 77.17 59 A 1 ATOM 453 C CG2 . ILE A 0 59 . -4.184 5.229 6.847 1.00 77.17 59 A 1 ATOM 454 C CD1 . ILE A 0 59 . -5.687 4.012 9.182 1.00 77.17 59 A 1 ATOM 455 N N . ILE A 0 60 . -5.050 6.435 3.714 1.00 78.50 60 A 1 ATOM 456 C CA . ILE A 0 60 . -4.377 6.397 2.412 1.00 78.50 60 A 1 ATOM 457 C C . ILE A 0 60 . -2.875 6.569 2.625 1.00 78.50 60 A 1 ATOM 458 C CB . ILE A 0 60 . -4.941 7.446 1.426 1.00 78.50 60 A 1 ATOM 459 O O . ILE A 0 60 . -2.432 7.560 3.198 1.00 78.50 60 A 1 ATOM 460 C CG1 . ILE A 0 60 . -6.478 7.329 1.291 1.00 78.50 60 A 1 ATOM 461 C CG2 . ILE A 0 60 . -4.259 7.282 0.050 1.00 78.50 60 A 1 ATOM 462 C CD1 . ILE A 0 60 . -7.104 8.408 0.399 1.00 78.50 60 A 1 ATOM 463 N N . PHE A 0 61 . -2.090 5.625 2.120 1.00 77.30 61 A 1 ATOM 464 C CA . PHE A 0 61 . -0.634 5.690 2.087 1.00 77.30 61 A 1 ATOM 465 C C . PHE A 0 61 . -0.177 5.880 0.649 1.00 77.30 61 A 1 ATOM 466 C CB . PHE A 0 61 . -0.031 4.417 2.682 1.00 77.30 61 A 1 ATOM 467 O O . PHE A 0 61 . -0.579 5.120 -0.226 1.00 77.30 61 A 1 ATOM 468 C CG . PHE A 0 61 . -0.407 4.178 4.126 1.00 77.30 61 A 1 ATOM 469 C CD1 . PHE A 0 61 . 0.414 4.656 5.162 1.00 77.30 61 A 1 ATOM 470 C CD2 . PHE A 0 61 . -1.584 3.477 4.434 1.00 77.30 61 A 1 ATOM 471 C CE1 . PHE A 0 61 . 0.075 4.397 6.501 1.00 77.30 61 A 1 ATOM 472 C CE2 . PHE A 0 61 . -1.898 3.173 5.769 1.00 77.30 61 A 1 ATOM 473 C CZ . PHE A 0 61 . -1.069 3.639 6.803 1.00 77.30 61 A 1 ATOM 474 N N . VAL A 0 62 . 0.679 6.866 0.403 1.00 76.00 62 A 1 ATOM 475 C CA . VAL A 0 62 . 1.280 7.103 -0.913 1.00 76.00 62 A 1 ATOM 476 C C . VAL A 0 62 . 2.781 6.913 -0.790 1.00 76.00 62 A 1 ATOM 477 C CB . VAL A 0 62 . 0.924 8.493 -1.470 1.00 76.00 62 A 1 ATOM 478 O O . VAL A 0 62 . 3.420 7.530 0.060 1.00 76.00 62 A 1 ATOM 479 C CG1 . VAL A 0 62 . 1.477 8.669 -2.889 1.00 76.00 62 A 1 ATOM 480 C CG2 . VAL A 0 62 . -0.597 8.696 -1.529 1.00 76.00 62 A 1 ATOM 481 N N . MET A 0 63 . 3.346 6.061 -1.636 1.00 75.22 63 A 1 ATOM 482 C CA . MET A 0 63 . 4.783 5.829 -1.703 1.00 75.22 63 A 1 ATOM 483 C C . MET A 0 63 . 5.297 6.036 -3.129 1.00 75.22 63 A 1 ATOM 484 C CB . MET A 0 63 . 5.135 4.439 -1.150 1.00 75.22 63 A 1 ATOM 485 O O . MET A 0 63 . 4.616 5.718 -4.107 1.00 75.22 63 A 1 ATOM 486 C CG . MET A 0 63 . 4.579 3.332 -2.049 1.00 75.22 63 A 1 ATOM 487 S SD . MET A 0 63 . 5.125 1.643 -1.737 1.00 75.22 63 A 1 ATOM 488 C CE . MET A 0 63 . 6.915 1.795 -1.504 1.00 75.22 63 A 1 ATOM 489 N N . TYR A 0 64 . 6.532 6.520 -3.235 1.00 71.20 64 A 1 ATOM 490 C CA . TYR A 0 64 . 7.283 6.530 -4.485 1.00 71.20 64 A 1 ATOM 491 C C . TYR A 0 64 . 8.119 5.258 -4.567 1.00 71.20 64 A 1 ATOM 492 C CB . TYR A 0 64 . 8.144 7.790 -4.591 1.00 71.20 64 A 1 ATOM 493 O O . TYR A 0 64 . 8.934 4.969 -3.690 1.00 71.20 64 A 1 ATOM 494 C CG . TYR A 0 64 . 7.335 9.033 -4.899 1.00 71.20 64 A 1 ATOM 495 C CD1 . TYR A 0 64 . 7.206 9.471 -6.231 1.00 71.20 64 A 1 ATOM 496 C CD2 . TYR A 0 64 . 6.699 9.741 -3.860 1.00 71.20 64 A 1 ATOM 497 C CE1 . TYR A 0 64 . 6.445 10.619 -6.523 1.00 71.20 64 A 1 ATOM 498 C CE2 . TYR A 0 64 . 5.921 10.877 -4.152 1.00 71.20 64 A 1 ATOM 499 O OH . TYR A 0 64 . 5.030 12.401 -5.784 1.00 71.20 64 A 1 ATOM 500 C CZ . TYR A 0 64 . 5.789 11.314 -5.488 1.00 71.20 64 A 1 ATOM 501 N N . VAL A 0 65 . 7.894 4.487 -5.622 1.00 67.39 65 A 1 ATOM 502 C CA . VAL A 0 65 . 8.544 3.204 -5.867 1.00 67.39 65 A 1 ATOM 503 C C . VAL A 0 65 . 9.381 3.371 -7.130 1.00 67.39 65 A 1 ATOM 504 C CB . VAL A 0 65 . 7.499 2.083 -6.027 1.00 67.39 65 A 1 ATOM 505 O O . VAL A 0 65 . 8.813 3.594 -8.201 1.00 67.39 65 A 1 ATOM 506 C CG1 . VAL A 0 65 . 8.165 0.719 -6.217 1.00 67.39 65 A 1 ATOM 507 C CG2 . VAL A 0 65 . 6.585 1.972 -4.802 1.00 67.39 65 A 1 ATOM 508 N N . PRO A 0 66 . 10.720 3.289 -7.068 1.00 65.88 66 A 1 ATOM 509 C CA . PRO A 0 66 . 11.502 3.180 -8.292 1.00 65.88 66 A 1 ATOM 510 C C . PRO A 0 66 . 11.059 1.910 -9.032 1.00 65.88 66 A 1 ATOM 511 C CB . PRO A 0 66 . 12.966 3.165 -7.849 1.00 65.88 66 A 1 ATOM 512 O O . PRO A 0 66 . 10.894 0.860 -8.415 1.00 65.88 66 A 1 ATOM 513 C CG . PRO A 0 66 . 12.914 2.656 -6.407 1.00 65.88 66 A 1 ATOM 514 C CD . PRO A 0 66 . 11.556 3.126 -5.889 1.00 65.88 66 A 1 ATOM 515 N N . SER A 0 67 . 10.828 2.005 -10.342 1.00 59.03 67 A 1 ATOM 516 C CA . SER A 0 67 . 10.221 0.944 -11.176 1.00 59.03 67 A 1 ATOM 517 C C . SER A 0 67 . 10.916 -0.425 -11.131 1.00 59.03 67 A 1 ATOM 518 C CB . SER A 0 67 . 10.156 1.413 -12.632 1.00 59.03 67 A 1 ATOM 519 O O . SER A 0 67 . 10.335 -1.423 -11.550 1.00 59.03 67 A 1 ATOM 520 O OG . SER A 0 67 . 11.394 1.977 -13.000 1.00 59.03 67 A 1 ATOM 521 N N . THR A 0 68 . 12.129 -0.513 -10.587 1.00 57.97 68 A 1 ATOM 522 C CA . THR A 0 68 . 12.844 -1.774 -10.354 1.00 57.97 68 A 1 ATOM 523 C C . THR A 0 68 . 12.295 -2.590 -9.175 1.00 57.97 68 A 1 ATOM 524 C CB . THR A 0 68 . 14.336 -1.489 -10.141 1.00 57.97 68 A 1 ATOM 525 O O . THR A 0 68 . 12.606 -3.777 -9.051 1.00 57.97 68 A 1 ATOM 526 C CG2 . THR A 0 68 . 14.990 -0.955 -11.416 1.00 57.97 68 A 1 ATOM 527 O OG1 . THR A 0 68 . 14.513 -0.504 -9.145 1.00 57.97 68 A 1 ATOM 528 N N . SER A 0 69 . 11.462 -1.998 -8.319 1.00 52.53 69 A 1 ATOM 529 C CA . SER A 0 69 . 10.973 -2.623 -7.090 1.00 52.53 69 A 1 ATOM 530 C C . SER A 0 69 . 9.603 -3.284 -7.289 1.00 52.53 69 A 1 ATOM 531 C CB . SER A 0 69 . 10.932 -1.568 -5.988 1.00 52.53 69 A 1 ATOM 532 O O . SER A 0 69 . 8.631 -2.646 -7.685 1.00 52.53 69 A 1 ATOM 533 O OG . SER A 0 69 . 12.240 -1.114 -5.687 1.00 52.53 69 A 1 ATOM 534 N N . ARG A 0 70 . 9.504 -4.587 -6.987 1.00 47.20 70 A 1 ATOM 535 C CA . ARG A 0 70 . 8.235 -5.338 -7.008 1.00 47.20 70 A 1 ATOM 536 C C . ARG A 0 70 . 7.470 -5.118 -5.702 1.00 47.20 70 A 1 ATOM 537 C CB . ARG A 0 70 . 8.477 -6.840 -7.242 1.00 47.20 70 A 1 ATOM 538 O O . ARG A 0 70 . 8.036 -5.311 -4.628 1.00 47.20 70 A 1 ATOM 539 C CG . ARG A 0 70 . 9.072 -7.151 -8.624 1.00 47.20 70 A 1 ATOM 540 C CD . ARG A 0 70 . 9.247 -8.666 -8.800 1.00 47.20 70 A 1 ATOM 541 N NE . ARG A 0 70 . 9.845 -8.997 -10.108 1.00 47.20 70 A 1 ATOM 542 N NH1 . ARG A 0 70 . 9.993 -11.274 -9.822 1.00 47.20 70 A 1 ATOM 543 N NH2 . ARG A 0 70 . 10.693 -10.355 -11.729 1.00 47.20 70 A 1 ATOM 544 C CZ . ARG A 0 70 . 10.173 -10.201 -10.544 1.00 47.20 70 A 1 ATOM 545 N N . ILE A 0 71 . 6.183 -4.794 -5.799 1.00 49.20 71 A 1 ATOM 546 C CA . ILE A 0 71 . 5.265 -4.701 -4.657 1.00 49.20 71 A 1 ATOM 547 C C . ILE A 0 71 . 4.440 -5.982 -4.614 1.00 49.20 71 A 1 ATOM 548 C CB . ILE A 0 71 . 4.365 -3.456 -4.772 1.00 49.20 71 A 1 ATOM 549 O O . ILE A 0 71 . 3.803 -6.343 -5.602 1.00 49.20 71 A 1 ATOM 550 C CG1 . ILE A 0 71 . 5.236 -2.187 -4.872 1.00 49.20 71 A 1 ATOM 551 C CG2 . ILE A 0 71 . 3.383 -3.357 -3.590 1.00 49.20 71 A 1 ATOM 552 C CD1 . ILE A 0 71 . 4.412 -0.942 -5.161 1.00 49.20 71 A 1 ATOM 553 N N . PHE A 0 72 . 4.453 -6.672 -3.477 1.00 46.39 72 A 1 ATOM 554 C CA . PHE A 0 72 . 3.630 -7.856 -3.252 1.00 46.39 72 A 1 ATOM 555 C C . PHE A 0 72 . 2.598 -7.530 -2.171 1.00 46.39 72 A 1 ATOM 556 C CB . PHE A 0 72 . 4.540 -9.041 -2.895 1.00 46.39 72 A 1 ATOM 557 O O . PHE A 0 72 . 2.974 -7.223 -1.041 1.00 46.39 72 A 1 ATOM 558 C CG . PHE A 0 72 . 3.857 -10.392 -2.973 1.00 46.39 72 A 1 ATOM 559 C CD1 . PHE A 0 72 . 3.470 -11.069 -1.802 1.00 46.39 72 A 1 ATOM 560 C CD2 . PHE A 0 72 . 3.632 -10.987 -4.230 1.00 46.39 72 A 1 ATOM 561 C CE1 . PHE A 0 72 . 2.877 -12.342 -1.889 1.00 46.39 72 A 1 ATOM 562 C CE2 . PHE A 0 72 . 3.020 -12.250 -4.316 1.00 46.39 72 A 1 ATOM 563 C CZ . PHE A 0 72 . 2.643 -12.928 -3.145 1.00 46.39 72 A 1 ATOM 564 N N . SER A 0 73 . 1.310 -7.568 -2.519 1.00 46.05 73 A 1 ATOM 565 C CA . SER A 0 73 . 0.209 -7.468 -1.555 1.00 46.05 73 A 1 ATOM 566 C C . SER A 0 73 . -0.381 -8.860 -1.360 1.00 46.05 73 A 1 ATOM 567 C CB . SER A 0 73 . -0.859 -6.472 -2.023 1.00 46.05 73 A 1 ATOM 568 O O . SER A 0 73 . -0.913 -9.441 -2.303 1.00 46.05 73 A 1 ATOM 569 O OG . SER A 0 73 . -1.838 -6.365 -1.009 1.00 46.05 73 A 1 ATOM 570 N N . CYS A 0 74 . -0.257 -9.422 -0.157 1.00 37.72 74 A 1 ATOM 571 C CA . CYS A 0 74 . -0.920 -10.672 0.198 1.00 37.72 74 A 1 ATOM 572 C C . CYS A 0 74 . -1.865 -10.413 1.370 1.00 37.72 74 A 1 ATOM 573 C CB . CYS A 0 74 . 0.122 -11.757 0.483 1.00 37.72 74 A 1 ATOM 574 O O . CYS A 0 74 . -1.432 -10.161 2.493 1.00 37.72 74 A 1 ATOM 575 S SG . CYS A 0 74 . -0.681 -13.388 0.545 1.00 37.72 74 A 1 ATOM 576 N N . VAL A 0 75 . -3.168 -10.463 1.092 1.00 37.84 75 A 1 ATOM 577 C CA . VAL A 0 75 . -4.224 -10.361 2.099 1.00 37.84 75 A 1 ATOM 578 C C . VAL A 0 75 . -4.438 -11.757 2.681 1.00 37.84 75 A 1 ATOM 579 C CB . VAL A 0 75 . -5.519 -9.780 1.488 1.00 37.84 75 A 1 ATOM 580 O O . VAL A 0 75 . -5.095 -12.595 2.069 1.00 37.84 75 A 1 ATOM 581 C CG1 . VAL A 0 75 . -6.613 -9.616 2.551 1.00 37.84 75 A 1 ATOM 582 C CG2 . VAL A 0 75 . -5.272 -8.402 0.853 1.00 37.84 75 A 1 ATOM 583 N N . LYS A 0 76 . -3.872 -12.033 3.861 1.00 35.02 76 A 1 ATOM 584 C CA . LYS A 0 76 . -4.292 -13.175 4.685 1.00 35.02 76 A 1 ATOM 585 C C . LYS A 0 76 . -5.046 -12.632 5.894 1.00 35.02 76 A 1 ATOM 586 C CB . LYS A 0 76 . -3.106 -14.095 5.019 1.00 35.02 76 A 1 ATOM 587 O O . LYS A 0 76 . -4.606 -11.667 6.510 1.00 35.02 76 A 1 ATOM 588 C CG . LYS A 0 76 . -3.583 -15.526 5.329 1.00 35.02 76 A 1 ATOM 589 C CD . LYS A 0 76 . -2.401 -16.476 5.561 1.00 35.02 76 A 1 ATOM 590 C CE . LYS A 0 76 . -2.903 -17.910 5.784 1.00 35.02 76 A 1 ATOM 591 N NZ . LYS A 0 76 . -1.783 -18.852 6.039 1.00 35.02 76 A 1 ATOM 592 N N . ASN A 0 77 . -6.188 -13.254 6.177 1.00 38.39 77 A 1 ATOM 593 C CA . ASN A 0 77 . -7.385 -12.728 6.847 1.00 38.39 77 A 1 ATOM 594 C C . ASN A 0 77 . -7.266 -12.100 8.260 1.00 38.39 77 A 1 ATOM 595 C CB . ASN A 0 77 . -8.443 -13.866 6.816 1.00 38.39 77 A 1 ATOM 596 O O . ASN A 0 77 . -8.288 -11.953 8.915 1.00 38.39 77 A 1 ATOM 597 C CG . ASN A 0 77 . -9.824 -13.416 6.369 1.00 38.39 77 A 1 ATOM 598 N ND2 . ASN A 0 77 . -10.831 -14.236 6.562 1.00 38.39 77 A 1 ATOM 599 O OD1 . ASN A 0 77 . -10.012 -12.377 5.769 1.00 38.39 77 A 1 ATOM 600 N N . THR A 0 78 . -6.091 -11.720 8.761 1.00 44.91 78 A 1 ATOM 601 C CA . THR A 0 78 . -5.935 -11.046 10.069 1.00 44.91 78 A 1 ATOM 602 C C . THR A 0 78 . -4.694 -10.158 10.198 1.00 44.91 78 A 1 ATOM 603 C CB . THR A 0 78 . -5.899 -12.061 11.225 1.00 44.91 78 A 1 ATOM 604 O O . THR A 0 78 . -4.513 -9.506 11.225 1.00 44.91 78 A 1 ATOM 605 C CG2 . THR A 0 78 . -7.249 -12.697 11.549 1.00 44.91 78 A 1 ATOM 606 O OG1 . THR A 0 78 . -5.007 -13.114 10.926 1.00 44.91 78 A 1 ATOM 607 N N . SER A 0 79 . -3.804 -10.098 9.209 1.00 38.95 79 A 1 ATOM 608 C CA . SER A 0 79 . -2.590 -9.282 9.313 1.00 38.95 79 A 1 ATOM 609 C C . SER A 0 79 . -2.179 -8.832 7.929 1.00 38.95 79 A 1 ATOM 610 C CB . SER A 0 79 . -1.465 -10.064 9.996 1.00 38.95 79 A 1 ATOM 611 O O . SER A 0 79 . -1.705 -9.618 7.110 1.00 38.95 79 A 1 ATOM 612 O OG . SER A 0 79 . -1.843 -10.395 11.318 1.00 38.95 79 A 1 ATOM 613 N N . LEU A 0 80 . -2.425 -7.560 7.646 1.00 43.99 80 A 1 ATOM 614 C CA . LEU A 0 80 . -2.001 -6.970 6.397 1.00 43.99 80 A 1 ATOM 615 C C . LEU A 0 80 . -0.507 -6.655 6.502 1.00 43.99 80 A 1 ATOM 616 C CB . LEU A 0 80 . -2.892 -5.759 6.115 1.00 43.99 80 A 1 ATOM 617 O O . LEU A 0 80 . -0.110 -5.776 7.261 1.00 43.99 80 A 1 ATOM 618 C CG . LEU A 0 80 . -2.694 -5.274 4.672 1.00 43.99 80 A 1 ATOM 619 C CD1 . LEU A 0 80 . -4.050 -5.188 3.973 1.00 43.99 80 A 1 ATOM 620 C CD2 . LEU A 0 80 . -1.938 -3.953 4.684 1.00 43.99 80 A 1 ATOM 621 N N . TYR A 0 81 . 0.312 -7.395 5.759 1.00 39.66 81 A 1 ATOM 622 C CA . TYR A 0 81 . 1.741 -7.127 5.646 1.00 39.66 81 A 1 ATOM 623 C C . TYR A 0 81 . 2.009 -6.446 4.307 1.00 39.66 81 A 1 ATOM 624 C CB . TYR A 0 81 . 2.552 -8.418 5.794 1.00 39.66 81 A 1 ATOM 625 O O . TYR A 0 81 . 1.900 -7.072 3.252 1.00 39.66 81 A 1 ATOM 626 C CG . TYR A 0 81 . 2.493 -9.054 7.169 1.00 39.66 81 A 1 ATOM 627 C CD1 . TYR A 0 81 . 3.370 -8.616 8.181 1.00 39.66 81 A 1 ATOM 628 C CD2 . TYR A 0 81 . 1.574 -10.087 7.433 1.00 39.66 81 A 1 ATOM 629 C CE1 . TYR A 0 81 . 3.324 -9.203 9.461 1.00 39.66 81 A 1 ATOM 630 C CE2 . TYR A 0 81 . 1.541 -10.690 8.704 1.00 39.66 81 A 1 ATOM 631 O OH . TYR A 0 81 . 2.344 -10.814 10.952 1.00 39.66 81 A 1 ATOM 632 C CZ . TYR A 0 81 . 2.405 -10.241 9.723 1.00 39.66 81 A 1 ATOM 633 N N . VAL A 0 82 . 2.365 -5.161 4.344 1.00 42.66 82 A 1 ATOM 634 C CA . VAL A 0 82 . 2.904 -4.472 3.168 1.00 42.66 82 A 1 ATOM 635 C C . VAL A 0 82 . 4.421 -4.595 3.215 1.00 42.66 82 A 1 ATOM 636 C CB . VAL A 0 82 . 2.458 -3.001 3.069 1.00 42.66 82 A 1 ATOM 637 O O . VAL A 0 82 . 5.070 -4.002 4.073 1.00 42.66 82 A 1 ATOM 638 C CG1 . VAL A 0 82 . 2.858 -2.434 1.704 1.00 42.66 82 A 1 ATOM 639 C CG2 . VAL A 0 82 . 0.942 -2.848 3.199 1.00 42.66 82 A 1 ATOM 640 N N . PHE A 0 83 . 4.996 -5.381 2.305 1.00 43.63 83 A 1 ATOM 641 C CA . PHE A 0 83 . 6.446 -5.481 2.162 1.00 43.63 83 A 1 ATOM 642 C C . PHE A 0 83 . 6.924 -4.534 1.064 1.00 43.63 83 A 1 ATOM 643 C CB . PHE A 0 83 . 6.873 -6.926 1.883 1.00 43.63 83 A 1 ATOM 644 O O . PHE A 0 83 . 6.610 -4.717 -0.114 1.00 43.63 83 A 1 ATOM 645 C CG . PHE A 0 83 . 6.631 -7.876 3.039 1.00 43.63 83 A 1 ATOM 646 C CD1 . PHE A 0 83 . 7.560 -7.960 4.095 1.00 43.63 83 A 1 ATOM 647 C CD2 . PHE A 0 83 . 5.476 -8.680 3.059 1.00 43.63 83 A 1 ATOM 648 C CE1 . PHE A 0 83 . 7.336 -8.846 5.164 1.00 43.63 83 A 1 ATOM 649 C CE2 . PHE A 0 83 . 5.264 -9.580 4.118 1.00 43.63 83 A 1 ATOM 650 C CZ . PHE A 0 83 . 6.188 -9.657 5.175 1.00 43.63 83 A 1 ATOM 651 N N . PHE A 0 84 . 7.733 -3.548 1.440 1.00 44.19 84 A 1 ATOM 652 C CA . PHE A 0 84 . 8.477 -2.732 0.488 1.00 44.19 84 A 1 ATOM 653 C C . PHE A 0 84 . 9.848 -3.370 0.264 1.00 44.19 84 A 1 ATOM 654 C CB . PHE A 0 84 . 8.578 -1.293 1.007 1.00 44.19 84 A 1 ATOM 655 O O . PHE A 0 84 . 10.677 -3.399 1.172 1.00 44.19 84 A 1 ATOM 656 C CG . PHE A 0 84 . 7.249 -0.690 1.416 1.00 44.19 84 A 1 ATOM 657 C CD1 . PHE A 0 84 . 6.228 -0.507 0.469 1.00 44.19 84 A 1 ATOM 658 C CD2 . PHE A 0 84 . 6.998 -0.379 2.764 1.00 44.19 84 A 1 ATOM 659 C CE1 . PHE A 0 84 . 4.993 0.038 0.861 1.00 44.19 84 A 1 ATOM 660 C CE2 . PHE A 0 84 . 5.766 0.176 3.147 1.00 44.19 84 A 1 ATOM 661 C CZ . PHE A 0 84 . 4.769 0.411 2.190 1.00 44.19 84 A 1 ATOM 662 N N . ARG A 0 85 . 10.104 -3.909 -0.933 1.00 30.97 85 A 1 ATOM 663 C CA . ARG A 0 85 . 11.449 -4.364 -1.308 1.00 30.97 85 A 1 ATOM 664 C C . ARG A 0 85 . 12.146 -3.250 -2.082 1.00 30.97 85 A 1 ATOM 665 C CB . ARG A 0 85 . 11.378 -5.694 -2.076 1.00 30.97 85 A 1 ATOM 666 O O . ARG A 0 85 . 11.716 -2.919 -3.179 1.00 30.97 85 A 1 ATOM 667 C CG . ARG A 0 85 . 12.773 -6.329 -2.190 1.00 30.97 85 A 1 ATOM 668 C CD . ARG A 0 85 . 12.711 -7.673 -2.922 1.00 30.97 85 A 1 ATOM 669 N NE . ARG A 0 85 . 14.044 -8.304 -2.997 1.00 30.97 85 A 1 ATOM 670 N NH1 . ARG A 0 85 . 13.460 -10.105 -4.292 1.00 30.97 85 A 1 ATOM 671 N NH2 . ARG A 0 85 . 15.572 -9.879 -3.605 1.00 30.97 85 A 1 ATOM 672 C CZ . ARG A 0 85 . 14.352 -9.421 -3.629 1.00 30.97 85 A 1 ATOM 673 N N . PHE A 0 86 . 13.220 -2.703 -1.521 1.00 37.87 86 A 1 ATOM 674 C CA . PHE A 0 86 . 14.090 -1.731 -2.188 1.00 37.87 86 A 1 ATOM 675 C C . PHE A 0 86 . 15.318 -2.457 -2.765 1.00 37.87 86 A 1 ATOM 676 C CB . PHE A 0 86 . 14.460 -0.615 -1.197 1.00 37.87 86 A 1 ATOM 677 O O . PHE A 0 86 . 16.021 -3.150 -2.022 1.00 37.87 86 A 1 ATOM 678 C CG . PHE A 0 86 . 13.270 0.189 -0.690 1.00 37.87 86 A 1 ATOM 679 C CD1 . PHE A 0 86 . 12.803 1.299 -1.424 1.00 37.87 86 A 1 ATOM 680 C CD2 . PHE A 0 86 . 12.626 -0.166 0.513 1.00 37.87 86 A 1 ATOM 681 C CE1 . PHE A 0 86 . 11.701 2.043 -0.963 1.00 37.87 86 A 1 ATOM 682 C CE2 . PHE A 0 86 . 11.530 0.584 0.976 1.00 37.87 86 A 1 ATOM 683 C CZ . PHE A 0 86 . 11.064 1.685 0.237 1.00 37.87 86 A 1 ATOM 684 N N . GLY A 0 87 . 15.528 -2.351 -4.083 1.00 38.47 87 A 1 ATOM 685 C CA . GLY A 0 87 . 16.708 -2.867 -4.798 1.00 38.47 87 A 1 ATOM 686 C C . GLY A 0 87 . 17.955 -2.048 -4.521 1.00 38.47 87 A 1 ATOM 687 O O . GLY A 0 87 . 17.852 -0.808 -4.469 1.00 38.47 87 A 1 ATOM 688 O OXT . GLY A 0 87 . 18.994 -2.678 -4.240 1.00 38.47 87 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 58.77 # loop_ _atom_type.symbol C N O S #