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 GLY 0 3 ASN 0 4 LEU 0 5 ILE 0 6 PHE 0 7 THR 0 8 LEU 0 9 LEU 0 10 SER 0 11 TYR 0 12 SER 0 13 LEU 0 14 LYS 0 15 LYS 0 16 ASN 0 17 PHE 0 18 CYS 0 19 GLU 0 20 ARG 0 21 LEU 0 22 LYS 0 23 GLU 0 24 THR 0 25 PHE 0 26 LYS 0 27 CYS 0 28 TYR 0 29 LEU 0 30 ASP 0 31 ASN 0 32 ILE 0 33 ASP 0 34 PRO 0 35 THR 0 36 LEU 0 37 GLY 0 38 GLY 0 39 GLN 0 40 GLY 0 41 HIS 0 42 THR 0 43 CYS 0 44 THR 0 45 GLY 0 46 ALA 0 47 ILE 0 48 PHE 0 49 ASN 0 50 VAL 0 51 GLU 0 52 GLU 0 53 PHE 0 54 ILE 0 55 LEU 0 56 GLU 0 57 ILE 0 58 TRP 0 59 SER 0 60 ASN 0 61 LEU 0 62 TYR 0 63 ASN 0 64 ARG 0 65 LEU 0 66 ALA 0 67 ASP 0 68 THR 0 69 TRP 0 70 LYS 0 71 CYS 0 72 LEU 0 73 LEU 0 74 LEU 0 75 VAL 0 76 LEU 0 77 PRO 0 78 GLU 0 79 ASN 0 80 LEU 0 81 GLY 0 82 GLY 0 83 LYS 0 84 THR 0 85 THR 0 86 PRO 0 87 CYS 0 88 TYR 0 89 ASN 0 90 LEU 0 91 THR 0 92 ALA 0 93 LYS # 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 . -4.420 -1.476 21.007 1.00 51.81 1 A 1 ATOM 2 C CA . MET A 0 1 . -4.351 -2.147 19.686 1.00 51.81 1 A 1 ATOM 3 C C . MET A 0 1 . -4.170 -1.189 18.508 1.00 51.81 1 A 1 ATOM 4 C CB . MET A 0 1 . -5.523 -3.108 19.467 1.00 51.81 1 A 1 ATOM 5 O O . MET A 0 1 . -3.348 -1.504 17.659 1.00 51.81 1 A 1 ATOM 6 C CG . MET A 0 1 . -5.177 -4.462 20.091 1.00 51.81 1 A 1 ATOM 7 S SD . MET A 0 1 . -6.462 -5.709 19.872 1.00 51.81 1 A 1 ATOM 8 C CE . MET A 0 1 . -7.549 -5.347 21.278 1.00 51.81 1 A 1 ATOM 9 N N . GLY A 0 2 . -4.832 -0.020 18.462 1.00 53.06 2 A 1 ATOM 10 C CA . GLY A 0 2 . -4.664 0.941 17.352 1.00 53.06 2 A 1 ATOM 11 C C . GLY A 0 2 . -3.208 1.338 17.059 1.00 53.06 2 A 1 ATOM 12 O O . GLY A 0 2 . -2.801 1.356 15.903 1.00 53.06 2 A 1 ATOM 13 N N . ASN A 0 3 . -2.391 1.533 18.102 1.00 63.73 3 A 1 ATOM 14 C CA . ASN A 0 3 . -0.972 1.874 17.947 1.00 63.73 3 A 1 ATOM 15 C C . ASN A 0 3 . -0.155 0.768 17.241 1.00 63.73 3 A 1 ATOM 16 C CB . ASN A 0 3 . -0.404 2.224 19.340 1.00 63.73 3 A 1 ATOM 17 O O . ASN A 0 3 . 0.669 1.061 16.380 1.00 63.73 3 A 1 ATOM 18 C CG . ASN A 0 3 . 0.958 2.901 19.268 1.00 63.73 3 A 1 ATOM 19 N ND2 . ASN A 0 3 . 1.615 3.105 20.385 1.00 63.73 3 A 1 ATOM 20 O OD1 . ASN A 0 3 . 1.436 3.274 18.218 1.00 63.73 3 A 1 ATOM 21 N N . LEU A 0 4 . -0.418 -0.513 17.534 1.00 65.48 4 A 1 ATOM 22 C CA . LEU A 0 4 . 0.315 -1.624 16.916 1.00 65.48 4 A 1 ATOM 23 C C . LEU A 0 4 . -0.042 -1.771 15.431 1.00 65.48 4 A 1 ATOM 24 C CB . LEU A 0 4 . 0.039 -2.930 17.684 1.00 65.48 4 A 1 ATOM 25 O O . LEU A 0 4 . 0.849 -1.913 14.600 1.00 65.48 4 A 1 ATOM 26 C CG . LEU A 0 4 . 1.039 -4.053 17.328 1.00 65.48 4 A 1 ATOM 27 C CD1 . LEU A 0 4 . 2.356 -3.881 18.089 1.00 65.48 4 A 1 ATOM 28 C CD2 . LEU A 0 4 . 0.453 -5.417 17.683 1.00 65.48 4 A 1 ATOM 29 N N . ILE A 0 5 . -1.333 -1.679 15.086 1.00 64.64 5 A 1 ATOM 30 C CA . ILE A 0 5 . -1.791 -1.761 13.690 1.00 64.64 5 A 1 ATOM 31 C C . ILE A 0 5 . -1.213 -0.600 12.881 1.00 64.64 5 A 1 ATOM 32 C CB . ILE A 0 5 . -3.335 -1.803 13.604 1.00 64.64 5 A 1 ATOM 33 O O . ILE A 0 5 . -0.676 -0.830 11.800 1.00 64.64 5 A 1 ATOM 34 C CG1 . ILE A 0 5 . -3.869 -3.084 14.285 1.00 64.64 5 A 1 ATOM 35 C CG2 . ILE A 0 5 . -3.807 -1.739 12.137 1.00 64.64 5 A 1 ATOM 36 C CD1 . ILE A 0 5 . -5.398 -3.144 14.394 1.00 64.64 5 A 1 ATOM 37 N N . PHE A 0 6 . -1.265 0.624 13.419 1.00 65.54 6 A 1 ATOM 38 C CA . PHE A 0 6 . -0.696 1.800 12.763 1.00 65.54 6 A 1 ATOM 39 C C . PHE A 0 6 . 0.828 1.698 12.617 1.00 65.54 6 A 1 ATOM 40 C CB . PHE A 0 6 . -1.097 3.064 13.530 1.00 65.54 6 A 1 ATOM 41 O O . PHE A 0 6 . 1.362 2.054 11.573 1.00 65.54 6 A 1 ATOM 42 C CG . PHE A 0 6 . -0.856 4.329 12.731 1.00 65.54 6 A 1 ATOM 43 C CD1 . PHE A 0 6 . 0.345 5.049 12.870 1.00 65.54 6 A 1 ATOM 44 C CD2 . PHE A 0 6 . -1.834 4.770 11.818 1.00 65.54 6 A 1 ATOM 45 C CE1 . PHE A 0 6 . 0.563 6.208 12.103 1.00 65.54 6 A 1 ATOM 46 C CE2 . PHE A 0 6 . -1.616 5.929 11.054 1.00 65.54 6 A 1 ATOM 47 C CZ . PHE A 0 6 . -0.418 6.649 11.197 1.00 65.54 6 A 1 ATOM 48 N N . THR A 0 7 . 1.526 1.151 13.616 1.00 70.15 7 A 1 ATOM 49 C CA . THR A 0 7 . 2.980 0.920 13.559 1.00 70.15 7 A 1 ATOM 50 C C . THR A 0 7 . 3.352 -0.132 12.514 1.00 70.15 7 A 1 ATOM 51 C CB . THR A 0 7 . 3.528 0.509 14.933 1.00 70.15 7 A 1 ATOM 52 O O . THR A 0 7 . 4.288 0.060 11.745 1.00 70.15 7 A 1 ATOM 53 C CG2 . THR A 0 7 . 5.043 0.310 14.931 1.00 70.15 7 A 1 ATOM 54 O OG1 . THR A 0 7 . 3.284 1.532 15.866 1.00 70.15 7 A 1 ATOM 55 N N . LEU A 0 8 . 2.615 -1.241 12.435 1.00 69.97 8 A 1 ATOM 56 C CA . LEU A 0 8 . 2.859 -2.280 11.429 1.00 69.97 8 A 1 ATOM 57 C C . LEU A 0 8 . 2.532 -1.789 10.016 1.00 69.97 8 A 1 ATOM 58 C CB . LEU A 0 8 . 2.023 -3.523 11.773 1.00 69.97 8 A 1 ATOM 59 O O . LEU A 0 8 . 3.255 -2.097 9.070 1.00 69.97 8 A 1 ATOM 60 C CG . LEU A 0 8 . 2.532 -4.302 12.999 1.00 69.97 8 A 1 ATOM 61 C CD1 . LEU A 0 8 . 1.506 -5.373 13.368 1.00 69.97 8 A 1 ATOM 62 C CD2 . LEU A 0 8 . 3.872 -4.988 12.727 1.00 69.97 8 A 1 ATOM 63 N N . LEU A 0 9 . 1.459 -1.007 9.880 1.00 66.60 9 A 1 ATOM 64 C CA . LEU A 0 9 . 1.113 -0.305 8.650 1.00 66.60 9 A 1 ATOM 65 C C . LEU A 0 9 . 2.230 0.643 8.230 1.00 66.60 9 A 1 ATOM 66 C CB . LEU A 0 9 . -0.194 0.475 8.866 1.00 66.60 9 A 1 ATOM 67 O O . LEU A 0 9 . 2.752 0.506 7.130 1.00 66.60 9 A 1 ATOM 68 C CG . LEU A 0 9 . -1.440 -0.342 8.520 1.00 66.60 9 A 1 ATOM 69 C CD1 . LEU A 0 9 . -2.698 0.376 9.003 1.00 66.60 9 A 1 ATOM 70 C CD2 . LEU A 0 9 . -1.510 -0.504 6.999 1.00 66.60 9 A 1 ATOM 71 N N . SER A 0 10 . 2.634 1.563 9.104 1.00 70.86 10 A 1 ATOM 72 C CA . SER A 0 10 . 3.666 2.551 8.794 1.00 70.86 10 A 1 ATOM 73 C C . SER A 0 10 . 5.005 1.890 8.478 1.00 70.86 10 A 1 ATOM 74 C CB . SER A 0 10 . 3.798 3.566 9.932 1.00 70.86 10 A 1 ATOM 75 O O . SER A 0 10 . 5.674 2.303 7.534 1.00 70.86 10 A 1 ATOM 76 O OG . SER A 0 10 . 4.330 2.975 11.099 1.00 70.86 10 A 1 ATOM 77 N N . TYR A 0 11 . 5.363 0.812 9.181 1.00 72.56 11 A 1 ATOM 78 C CA . TYR A 0 11 . 6.560 0.029 8.894 1.00 72.56 11 A 1 ATOM 79 C C . TYR A 0 11 . 6.500 -0.639 7.515 1.00 72.56 11 A 1 ATOM 80 C CB . TYR A 0 11 . 6.772 -1.012 9.999 1.00 72.56 11 A 1 ATOM 81 O O . TYR A 0 11 . 7.428 -0.488 6.719 1.00 72.56 11 A 1 ATOM 82 C CG . TYR A 0 11 . 8.033 -1.825 9.794 1.00 72.56 11 A 1 ATOM 83 C CD1 . TYR A 0 11 . 7.973 -3.082 9.162 1.00 72.56 11 A 1 ATOM 84 C CD2 . TYR A 0 11 . 9.274 -1.295 10.196 1.00 72.56 11 A 1 ATOM 85 C CE1 . TYR A 0 11 . 9.157 -3.807 8.927 1.00 72.56 11 A 1 ATOM 86 C CE2 . TYR A 0 11 . 10.460 -2.019 9.966 1.00 72.56 11 A 1 ATOM 87 O OH . TYR A 0 11 . 11.539 -3.979 9.085 1.00 72.56 11 A 1 ATOM 88 C CZ . TYR A 0 11 . 10.401 -3.276 9.326 1.00 72.56 11 A 1 ATOM 89 N N . SER A 0 12 . 5.403 -1.338 7.203 1.00 74.07 12 A 1 ATOM 90 C CA . SER A 0 12 . 5.222 -2.000 5.905 1.00 74.07 12 A 1 ATOM 91 C C . SER A 0 12 . 5.210 -0.993 4.754 1.00 74.07 12 A 1 ATOM 92 C CB . SER A 0 12 . 3.914 -2.795 5.901 1.00 74.07 12 A 1 ATOM 93 O O . SER A 0 12 . 5.837 -1.231 3.724 1.00 74.07 12 A 1 ATOM 94 O OG . SER A 0 12 . 3.823 -3.606 4.745 1.00 74.07 12 A 1 ATOM 95 N N . LEU A 0 13 . 4.530 0.142 4.937 1.00 71.43 13 A 1 ATOM 96 C CA . LEU A 0 13 . 4.457 1.222 3.956 1.00 71.43 13 A 1 ATOM 97 C C . LEU A 0 13 . 5.829 1.859 3.730 1.00 71.43 13 A 1 ATOM 98 C CB . LEU A 0 13 . 3.440 2.275 4.435 1.00 71.43 13 A 1 ATOM 99 O O . LEU A 0 13 . 6.252 2.008 2.586 1.00 71.43 13 A 1 ATOM 100 C CG . LEU A 0 13 . 1.967 1.821 4.386 1.00 71.43 13 A 1 ATOM 101 C CD1 . LEU A 0 13 . 1.083 2.899 5.014 1.00 71.43 13 A 1 ATOM 102 C CD2 . LEU A 0 13 . 1.500 1.583 2.960 1.00 71.43 13 A 1 ATOM 103 N N . LYS A 0 14 . 6.557 2.168 4.811 1.00 74.74 14 A 1 ATOM 104 C CA . LYS A 0 14 . 7.911 2.723 4.737 1.00 74.74 14 A 1 ATOM 105 C C . LYS A 0 14 . 8.856 1.773 4.008 1.00 74.74 14 A 1 ATOM 106 C CB . LYS A 0 14 . 8.411 3.056 6.152 1.00 74.74 14 A 1 ATOM 107 O O . LYS A 0 14 . 9.597 2.217 3.140 1.00 74.74 14 A 1 ATOM 108 C CG . LYS A 0 14 . 9.793 3.722 6.128 1.00 74.74 14 A 1 ATOM 109 C CD . LYS A 0 14 . 10.260 4.079 7.543 1.00 74.74 14 A 1 ATOM 110 C CE . LYS A 0 14 . 11.647 4.725 7.462 1.00 74.74 14 A 1 ATOM 111 N NZ . LYS A 0 14 . 12.175 5.075 8.805 1.00 74.74 14 A 1 ATOM 112 N N . LYS A 0 15 . 8.816 0.476 4.323 1.00 76.23 15 A 1 ATOM 113 C CA . LYS A 0 15 . 9.665 -0.525 3.666 1.00 76.23 15 A 1 ATOM 114 C C . LYS A 0 15 . 9.370 -0.618 2.166 1.00 76.23 15 A 1 ATOM 115 C CB . LYS A 0 15 . 9.519 -1.874 4.384 1.00 76.23 15 A 1 ATOM 116 O O . LYS A 0 15 . 10.301 -0.536 1.373 1.00 76.23 15 A 1 ATOM 117 C CG . LYS A 0 15 . 10.540 -2.886 3.852 1.00 76.23 15 A 1 ATOM 118 C CD . LYS A 0 15 . 10.442 -4.223 4.591 1.00 76.23 15 A 1 ATOM 119 C CE . LYS A 0 15 . 11.453 -5.191 3.967 1.00 76.23 15 A 1 ATOM 120 N NZ . LYS A 0 15 . 11.410 -6.528 4.605 1.00 76.23 15 A 1 ATOM 121 N N . ASN A 0 16 . 8.095 -0.715 1.784 1.00 76.60 16 A 1 ATOM 122 C CA . ASN A 0 16 . 7.696 -0.787 0.375 1.00 76.60 16 A 1 ATOM 123 C C . ASN A 0 16 . 8.064 0.487 -0.401 1.00 76.60 16 A 1 ATOM 124 C CB . ASN A 0 16 . 6.186 -1.075 0.285 1.00 76.60 16 A 1 ATOM 125 O O . ASN A 0 16 . 8.561 0.389 -1.519 1.00 76.60 16 A 1 ATOM 126 C CG . ASN A 0 16 . 5.829 -2.517 0.602 1.00 76.60 16 A 1 ATOM 127 N ND2 . ASN A 0 16 . 4.567 -2.802 0.826 1.00 76.60 16 A 1 ATOM 128 O OD1 . ASN A 0 16 . 6.653 -3.412 0.639 1.00 76.60 16 A 1 ATOM 129 N N . PHE A 0 17 . 7.873 1.669 0.197 1.00 76.69 17 A 1 ATOM 130 C CA . PHE A 0 17 . 8.314 2.933 -0.398 1.00 76.69 17 A 1 ATOM 131 C C . PHE A 0 17 . 9.827 2.952 -0.621 1.00 76.69 17 A 1 ATOM 132 C CB . PHE A 0 17 . 7.949 4.110 0.517 1.00 76.69 17 A 1 ATOM 133 O O . PHE A 0 17 . 10.285 3.254 -1.719 1.00 76.69 17 A 1 ATOM 134 C CG . PHE A 0 17 . 8.340 5.463 -0.049 1.00 76.69 17 A 1 ATOM 135 C CD1 . PHE A 0 17 . 9.275 6.263 0.631 1.00 76.69 17 A 1 ATOM 136 C CD2 . PHE A 0 17 . 7.806 5.918 -1.269 1.00 76.69 17 A 1 ATOM 137 C CE1 . PHE A 0 17 . 9.634 7.522 0.119 1.00 76.69 17 A 1 ATOM 138 C CE2 . PHE A 0 17 . 8.132 7.194 -1.760 1.00 76.69 17 A 1 ATOM 139 C CZ . PHE A 0 17 . 9.047 7.996 -1.066 1.00 76.69 17 A 1 ATOM 140 N N . CYS A 0 18 . 10.605 2.621 0.415 1.00 74.98 18 A 1 ATOM 141 C CA . CYS A 0 18 . 12.060 2.685 0.360 1.00 74.98 18 A 1 ATOM 142 C C . CYS A 0 18 . 12.648 1.732 -0.685 1.00 74.98 18 A 1 ATOM 143 C CB . CYS A 0 18 . 12.645 2.397 1.749 1.00 74.98 18 A 1 ATOM 144 O O . CYS A 0 18 . 13.559 2.144 -1.397 1.00 74.98 18 A 1 ATOM 145 S SG . CYS A 0 18 . 12.379 3.806 2.871 1.00 74.98 18 A 1 ATOM 146 N N . GLU A 0 19 . 12.143 0.500 -0.805 1.00 79.48 19 A 1 ATOM 147 C CA . GLU A 0 19 . 12.639 -0.436 -1.823 1.00 79.48 19 A 1 ATOM 148 C C . GLU A 0 19 . 12.294 0.037 -3.238 1.00 79.48 19 A 1 ATOM 149 C CB . GLU A 0 19 . 12.129 -1.865 -1.579 1.00 79.48 19 A 1 ATOM 150 O O . GLU A 0 19 . 13.191 0.140 -4.072 1.00 79.48 19 A 1 ATOM 151 C CG . GLU A 0 19 . 12.719 -2.538 -0.327 1.00 79.48 19 A 1 ATOM 152 C CD . GLU A 0 19 . 14.260 -2.663 -0.289 1.00 79.48 19 A 1 ATOM 153 O OE1 . GLU A 0 19 . 14.785 -2.803 0.840 1.00 79.48 19 A 1 ATOM 154 O OE2 . GLU A 0 19 . 14.955 -2.602 -1.331 1.00 79.48 19 A 1 ATOM 155 N N . ARG A 0 20 . 11.043 0.445 -3.498 1.00 76.23 20 A 1 ATOM 156 C CA . ARG A 0 20 . 10.649 0.944 -4.828 1.00 76.23 20 A 1 ATOM 157 C C . ARG A 0 20 . 11.414 2.214 -5.229 1.00 76.23 20 A 1 ATOM 158 C CB . ARG A 0 20 . 9.138 1.201 -4.863 1.00 76.23 20 A 1 ATOM 159 O O . ARG A 0 20 . 11.829 2.366 -6.379 1.00 76.23 20 A 1 ATOM 160 C CG . ARG A 0 20 . 8.257 -0.061 -4.866 1.00 76.23 20 A 1 ATOM 161 C CD . ARG A 0 20 . 6.788 0.380 -4.977 1.00 76.23 20 A 1 ATOM 162 N NE . ARG A 0 20 . 5.813 -0.734 -5.023 1.00 76.23 20 A 1 ATOM 163 N NH1 . ARG A 0 20 . 5.710 -1.082 -7.302 1.00 76.23 20 A 1 ATOM 164 N NH2 . ARG A 0 20 . 4.171 -1.978 -5.981 1.00 76.23 20 A 1 ATOM 165 C CZ . ARG A 0 20 . 5.249 -1.265 -6.098 1.00 76.23 20 A 1 ATOM 166 N N . LEU A 0 21 . 11.639 3.119 -4.274 1.00 77.21 21 A 1 ATOM 167 C CA . LEU A 0 21 . 12.426 4.334 -4.487 1.00 77.21 21 A 1 ATOM 168 C C . LEU A 0 21 . 13.901 4.002 -4.761 1.00 77.21 21 A 1 ATOM 169 C CB . LEU A 0 21 . 12.263 5.242 -3.254 1.00 77.21 21 A 1 ATOM 170 O O . LEU A 0 21 . 14.513 4.572 -5.661 1.00 77.21 21 A 1 ATOM 171 C CG . LEU A 0 21 . 12.916 6.624 -3.410 1.00 77.21 21 A 1 ATOM 172 C CD1 . LEU A 0 21 . 12.205 7.471 -4.469 1.00 77.21 21 A 1 ATOM 173 C CD2 . LEU A 0 21 . 12.888 7.371 -2.077 1.00 77.21 21 A 1 ATOM 174 N N . LYS A 0 22 . 14.477 3.057 -4.013 1.00 78.87 22 A 1 ATOM 175 C CA . LYS A 0 22 . 15.854 2.589 -4.201 1.00 78.87 22 A 1 ATOM 176 C C . LYS A 0 22 . 16.050 1.926 -5.561 1.00 78.87 22 A 1 ATOM 177 C CB . LYS A 0 22 . 16.184 1.630 -3.057 1.00 78.87 22 A 1 ATOM 178 O O . LYS A 0 22 . 17.041 2.221 -6.220 1.00 78.87 22 A 1 ATOM 179 C CG . LYS A 0 22 . 17.550 0.941 -3.175 1.00 78.87 22 A 1 ATOM 180 C CD . LYS A 0 22 . 17.622 -0.101 -2.062 1.00 78.87 22 A 1 ATOM 181 C CE . LYS A 0 22 . 18.775 -1.079 -2.253 1.00 78.87 22 A 1 ATOM 182 N NZ . LYS A 0 22 . 18.490 -2.285 -1.439 1.00 78.87 22 A 1 ATOM 183 N N . GLU A 0 23 . 15.134 1.060 -5.985 1.00 80.07 23 A 1 ATOM 184 C CA . GLU A 0 23 . 15.167 0.428 -7.312 1.00 80.07 23 A 1 ATOM 185 C C . GLU A 0 23 . 15.123 1.472 -8.426 1.00 80.07 23 A 1 ATOM 186 C CB . GLU A 0 23 . 13.983 -0.536 -7.455 1.00 80.07 23 A 1 ATOM 187 O O . GLU A 0 23 . 15.872 1.386 -9.394 1.00 80.07 23 A 1 ATOM 188 C CG . GLU A 0 23 . 14.208 -1.822 -6.648 1.00 80.07 23 A 1 ATOM 189 C CD . GLU A 0 23 . 13.006 -2.778 -6.682 1.00 80.07 23 A 1 ATOM 190 O OE1 . GLU A 0 23 . 13.180 -3.911 -6.180 1.00 80.07 23 A 1 ATOM 191 O OE2 . GLU A 0 23 . 11.930 -2.380 -7.185 1.00 80.07 23 A 1 ATOM 192 N N . THR A 0 24 . 14.326 2.518 -8.234 1.00 77.62 24 A 1 ATOM 193 C CA . THR A 0 24 . 14.223 3.651 -9.159 1.00 77.62 24 A 1 ATOM 194 C C . THR A 0 24 . 15.496 4.469 -9.240 1.00 77.62 24 A 1 ATOM 195 C CB . THR A 0 24 . 13.057 4.520 -8.721 1.00 77.62 24 A 1 ATOM 196 O O . THR A 0 24 . 15.976 4.742 -10.337 1.00 77.62 24 A 1 ATOM 197 C CG2 . THR A 0 24 . 12.956 5.864 -9.425 1.00 77.62 24 A 1 ATOM 198 O OG1 . THR A 0 24 . 11.961 3.719 -9.021 1.00 77.62 24 A 1 ATOM 199 N N . PHE A 0 25 . 16.090 4.821 -8.099 1.00 77.98 25 A 1 ATOM 200 C CA . PHE A 0 25 . 17.374 5.520 -8.088 1.00 77.98 25 A 1 ATOM 201 C C . PHE A 0 25 . 18.491 4.665 -8.673 1.00 77.98 25 A 1 ATOM 202 C CB . PHE A 0 25 . 17.741 5.949 -6.665 1.00 77.98 25 A 1 ATOM 203 O O . PHE A 0 25 . 19.284 5.166 -9.463 1.00 77.98 25 A 1 ATOM 204 C CG . PHE A 0 25 . 17.111 7.260 -6.258 1.00 77.98 25 A 1 ATOM 205 C CD1 . PHE A 0 25 . 17.485 8.445 -6.917 1.00 77.98 25 A 1 ATOM 206 C CD2 . PHE A 0 25 . 16.180 7.308 -5.209 1.00 77.98 25 A 1 ATOM 207 C CE1 . PHE A 0 25 . 16.911 9.672 -6.542 1.00 77.98 25 A 1 ATOM 208 C CE2 . PHE A 0 25 . 15.611 8.537 -4.830 1.00 77.98 25 A 1 ATOM 209 C CZ . PHE A 0 25 . 15.968 9.717 -5.502 1.00 77.98 25 A 1 ATOM 210 N N . LYS A 0 26 . 18.541 3.375 -8.325 1.00 80.26 26 A 1 ATOM 211 C CA . LYS A 0 26 . 19.499 2.435 -8.908 1.00 80.26 26 A 1 ATOM 212 C C . LYS A 0 26 . 19.343 2.393 -10.423 1.00 80.26 26 A 1 ATOM 213 C CB . LYS A 0 26 . 19.320 1.050 -8.270 1.00 80.26 26 A 1 ATOM 214 O O . LYS A 0 26 . 20.323 2.525 -11.138 1.00 80.26 26 A 1 ATOM 215 C CG . LYS A 0 26 . 20.270 0.055 -8.939 1.00 80.26 26 A 1 ATOM 216 C CD . LYS A 0 26 . 20.335 -1.298 -8.226 1.00 80.26 26 A 1 ATOM 217 C CE . LYS A 0 26 . 21.072 -2.341 -9.083 1.00 80.26 26 A 1 ATOM 218 N NZ . LYS A 0 26 . 22.279 -1.799 -9.757 1.00 80.26 26 A 1 ATOM 219 N N . CYS A 0 27 . 18.111 2.289 -10.897 1.00 79.62 27 A 1 ATOM 220 C CA . CYS A 0 27 . 17.811 2.297 -12.311 1.00 79.62 27 A 1 ATOM 221 C C . CYS A 0 27 . 18.233 3.605 -13.000 1.00 79.62 27 A 1 ATOM 222 C CB . CYS A 0 27 . 16.313 2.055 -12.445 1.00 79.62 27 A 1 ATOM 223 O O . CYS A 0 27 . 18.844 3.579 -14.066 1.00 79.62 27 A 1 ATOM 224 S SG . CYS A 0 27 . 15.807 2.185 -14.144 1.00 79.62 27 A 1 ATOM 225 N N . TYR A 0 28 . 17.945 4.757 -12.393 1.00 77.29 28 A 1 ATOM 226 C CA . TYR A 0 28 . 18.387 6.049 -12.912 1.00 77.29 28 A 1 ATOM 227 C C . TYR A 0 28 . 19.914 6.103 -13.037 1.00 77.29 28 A 1 ATOM 228 C CB . TYR A 0 28 . 17.856 7.172 -12.014 1.00 77.29 28 A 1 ATOM 229 O O . TYR A 0 28 . 20.415 6.506 -14.079 1.00 77.29 28 A 1 ATOM 230 C CG . TYR A 0 28 . 18.211 8.556 -12.519 1.00 77.29 28 A 1 ATOM 231 C CD1 . TYR A 0 28 . 19.377 9.200 -12.061 1.00 77.29 28 A 1 ATOM 232 C CD2 . TYR A 0 28 . 17.390 9.181 -13.477 1.00 77.29 28 A 1 ATOM 233 C CE1 . TYR A 0 28 . 19.723 10.472 -12.557 1.00 77.29 28 A 1 ATOM 234 C CE2 . TYR A 0 28 . 17.729 10.455 -13.971 1.00 77.29 28 A 1 ATOM 235 O OH . TYR A 0 28 . 19.221 12.328 -13.998 1.00 77.29 28 A 1 ATOM 236 C CZ . TYR A 0 28 . 18.896 11.101 -13.514 1.00 77.29 28 A 1 ATOM 237 N N . LEU A 0 29 . 20.645 5.641 -12.017 1.00 78.34 29 A 1 ATOM 238 C CA . LEU A 0 29 . 22.109 5.580 -12.023 1.00 78.34 29 A 1 ATOM 239 C C . LEU A 0 29 . 22.658 4.597 -13.068 1.00 78.34 29 A 1 ATOM 240 C CB . LEU A 0 29 . 22.609 5.197 -10.618 1.00 78.34 29 A 1 ATOM 241 O O . LEU A 0 29 . 23.630 4.913 -13.750 1.00 78.34 29 A 1 ATOM 242 C CG . LEU A 0 29 . 22.394 6.270 -9.536 1.00 78.34 29 A 1 ATOM 243 C CD1 . LEU A 0 29 . 22.756 5.691 -8.167 1.00 78.34 29 A 1 ATOM 244 C CD2 . LEU A 0 29 . 23.250 7.514 -9.774 1.00 78.34 29 A 1 ATOM 245 N N . ASP A 0 30 . 22.029 3.433 -13.224 1.00 81.17 30 A 1 ATOM 246 C CA . ASP A 0 30 . 22.457 2.416 -14.186 1.00 81.17 30 A 1 ATOM 247 C C . ASP A 0 30 . 22.233 2.891 -15.642 1.00 81.17 30 A 1 ATOM 248 C CB . ASP A 0 30 . 21.770 1.063 -13.877 1.00 81.17 30 A 1 ATOM 249 O O . ASP A 0 30 . 23.037 2.560 -16.513 1.00 81.17 30 A 1 ATOM 250 C CG . ASP A 0 30 . 22.187 0.387 -12.545 1.00 81.17 30 A 1 ATOM 251 O OD1 . ASP A 0 30 . 23.204 0.765 -11.920 1.00 81.17 30 A 1 ATOM 252 O OD2 . ASP A 0 30 . 21.489 -0.553 -12.080 1.00 81.17 30 A 1 ATOM 253 N N . ASN A 0 31 . 21.222 3.737 -15.901 1.00 79.83 31 A 1 ATOM 254 C CA . ASN A 0 31 . 20.978 4.366 -17.211 1.00 79.83 31 A 1 ATOM 255 C C . ASN A 0 31 . 21.962 5.500 -17.557 1.00 79.83 31 A 1 ATOM 256 C CB . ASN A 0 31 . 19.552 4.945 -17.271 1.00 79.83 31 A 1 ATOM 257 O O . ASN A 0 31 . 22.017 5.908 -18.719 1.00 79.83 31 A 1 ATOM 258 C CG . ASN A 0 31 . 18.445 3.931 -17.478 1.00 79.83 31 A 1 ATOM 259 N ND2 . ASN A 0 31 . 17.541 3.823 -16.541 1.00 79.83 31 A 1 ATOM 260 O OD1 . ASN A 0 31 . 18.299 3.287 -18.499 1.00 79.83 31 A 1 ATOM 261 N N . ILE A 0 32 . 22.696 6.058 -16.585 1.00 79.02 32 A 1 ATOM 262 C CA . ILE A 0 32 . 23.648 7.142 -16.865 1.00 79.02 32 A 1 ATOM 263 C C . ILE A 0 32 . 24.712 6.636 -17.849 1.00 79.02 32 A 1 ATOM 264 C CB . ILE A 0 32 . 24.239 7.754 -15.566 1.00 79.02 32 A 1 ATOM 265 O O . ILE A 0 32 . 25.146 5.482 -17.792 1.00 79.02 32 A 1 ATOM 266 C CG1 . ILE A 0 32 . 23.139 8.506 -14.788 1.00 79.02 32 A 1 ATOM 267 C CG2 . ILE A 0 32 . 25.407 8.718 -15.843 1.00 79.02 32 A 1 ATOM 268 C CD1 . ILE A 0 32 . 23.564 9.009 -13.402 1.00 79.02 32 A 1 ATOM 269 N N . ASP A 0 33 . 25.128 7.519 -18.758 1.00 78.88 33 A 1 ATOM 270 C CA . ASP A 0 33 . 26.186 7.247 -19.726 1.00 78.88 33 A 1 ATOM 271 C C . ASP A 0 33 . 27.467 6.759 -19.008 1.00 78.88 33 A 1 ATOM 272 C CB . ASP A 0 33 . 26.446 8.518 -20.549 1.00 78.88 33 A 1 ATOM 273 O O . ASP A 0 33 . 27.902 7.395 -18.038 1.00 78.88 33 A 1 ATOM 274 C CG . ASP A 0 33 . 27.347 8.251 -21.757 1.00 78.88 33 A 1 ATOM 275 O OD1 . ASP A 0 33 . 28.481 7.767 -21.542 1.00 78.88 33 A 1 ATOM 276 O OD2 . ASP A 0 33 . 26.923 8.544 -22.889 1.00 78.88 33 A 1 ATOM 277 N N . PRO A 0 34 . 28.105 5.661 -19.456 1.00 83.75 34 A 1 ATOM 278 C CA . PRO A 0 34 . 29.350 5.175 -18.863 1.00 83.75 34 A 1 ATOM 279 C C . PRO A 0 34 . 30.473 6.220 -18.814 1.00 83.75 34 A 1 ATOM 280 C CB . PRO A 0 34 . 29.754 3.962 -19.705 1.00 83.75 34 A 1 ATOM 281 O O . PRO A 0 34 . 31.287 6.206 -17.892 1.00 83.75 34 A 1 ATOM 282 C CG . PRO A 0 34 . 28.430 3.461 -20.275 1.00 83.75 34 A 1 ATOM 283 C CD . PRO A 0 34 . 27.640 4.747 -20.488 1.00 83.75 34 A 1 ATOM 284 N N . THR A 0 35 . 30.500 7.167 -19.756 1.00 85.72 35 A 1 ATOM 285 C CA . THR A 0 35 . 31.463 8.281 -19.781 1.00 85.72 35 A 1 ATOM 286 C C . THR A 0 35 . 31.253 9.288 -18.646 1.00 85.72 35 A 1 ATOM 287 C CB . THR A 0 35 . 31.439 9.035 -21.120 1.00 85.72 35 A 1 ATOM 288 O O . THR A 0 35 . 32.196 9.977 -18.262 1.00 85.72 35 A 1 ATOM 289 C CG2 . THR A 0 35 . 31.698 8.129 -22.325 1.00 85.72 35 A 1 ATOM 290 O OG1 . THR A 0 35 . 30.212 9.688 -21.322 1.00 85.72 35 A 1 ATOM 291 N N . LEU A 0 36 . 30.050 9.340 -18.064 1.00 83.32 36 A 1 ATOM 292 C CA . LEU A 0 36 . 29.711 10.134 -16.877 1.00 83.32 36 A 1 ATOM 293 C C . LEU A 0 36 . 29.769 9.307 -15.577 1.00 83.32 36 A 1 ATOM 294 C CB . LEU A 0 36 . 28.329 10.784 -17.082 1.00 83.32 36 A 1 ATOM 295 O O . LEU A 0 36 . 29.441 9.823 -14.509 1.00 83.32 36 A 1 ATOM 296 C CG . LEU A 0 36 . 28.230 11.758 -18.270 1.00 83.32 36 A 1 ATOM 297 C CD1 . LEU A 0 36 . 26.787 12.251 -18.395 1.00 83.32 36 A 1 ATOM 298 C CD2 . LEU A 0 36 . 29.140 12.978 -18.100 1.00 83.32 36 A 1 ATOM 299 N N . GLY A 0 37 . 30.188 8.038 -15.654 1.00 75.35 37 A 1 ATOM 300 C CA . GLY A 0 37 . 30.289 7.125 -14.512 1.00 75.35 37 A 1 ATOM 301 C C . GLY A 0 37 . 29.061 6.239 -14.267 1.00 75.35 37 A 1 ATOM 302 O O . GLY A 0 37 . 28.969 5.640 -13.196 1.00 75.35 37 A 1 ATOM 303 N N . GLY A 0 38 . 28.122 6.150 -15.214 1.00 78.96 38 A 1 ATOM 304 C CA . GLY A 0 38 . 26.993 5.213 -15.141 1.00 78.96 38 A 1 ATOM 305 C C . GLY A 0 38 . 27.299 3.821 -15.709 1.00 78.96 38 A 1 ATOM 306 O O . GLY A 0 38 . 28.444 3.510 -16.037 1.00 78.96 38 A 1 ATOM 307 N N . GLN A 0 39 . 26.278 2.962 -15.820 1.00 82.24 39 A 1 ATOM 308 C CA . GLN A 0 39 . 26.427 1.610 -16.391 1.00 82.24 39 A 1 ATOM 309 C C . GLN A 0 39 . 25.966 1.507 -17.856 1.00 82.24 39 A 1 ATOM 310 C CB . GLN A 0 39 . 25.737 0.549 -15.512 1.00 82.24 39 A 1 ATOM 311 O O . GLN A 0 39 . 26.259 0.510 -18.515 1.00 82.24 39 A 1 ATOM 312 C CG . GLN A 0 39 . 26.226 0.541 -14.055 1.00 82.24 39 A 1 ATOM 313 C CD . GLN A 0 39 . 25.788 -0.693 -13.263 1.00 82.24 39 A 1 ATOM 314 N NE2 . GLN A 0 39 . 26.497 -1.026 -12.205 1.00 82.24 39 A 1 ATOM 315 O OE1 . GLN A 0 39 . 24.854 -1.417 -13.567 1.00 82.24 39 A 1 ATOM 316 N N . GLY A 0 40 . 25.270 2.518 -18.390 1.00 76.96 40 A 1 ATOM 317 C CA . GLY A 0 40 . 24.705 2.498 -19.743 1.00 76.96 40 A 1 ATOM 318 C C . GLY A 0 40 . 23.657 1.402 -19.977 1.00 76.96 40 A 1 ATOM 319 O O . GLY A 0 40 . 23.414 1.020 -21.122 1.00 76.96 40 A 1 ATOM 320 N N . HIS A 0 41 . 23.054 0.859 -18.917 1.00 80.14 41 A 1 ATOM 321 C CA . HIS A 0 41 . 22.038 -0.184 -19.017 1.00 80.14 41 A 1 ATOM 322 C C . HIS A 0 41 . 20.645 0.430 -19.102 1.00 80.14 41 A 1 ATOM 323 C CB . HIS A 0 41 . 22.135 -1.147 -17.827 1.00 80.14 41 A 1 ATOM 324 O O . HIS A 0 41 . 20.249 1.188 -18.222 1.00 80.14 41 A 1 ATOM 325 C CG . HIS A 0 41 . 23.357 -2.026 -17.861 1.00 80.14 41 A 1 ATOM 326 C CD2 . HIS A 0 41 . 24.221 -2.261 -16.828 1.00 80.14 41 A 1 ATOM 327 N ND1 . HIS A 0 41 . 23.800 -2.768 -18.931 1.00 80.14 41 A 1 ATOM 328 C CE1 . HIS A 0 41 . 24.916 -3.413 -18.556 1.00 80.14 41 A 1 ATOM 329 N NE2 . HIS A 0 41 . 25.208 -3.148 -17.276 1.00 80.14 41 A 1 ATOM 330 N N . THR A 0 42 . 19.871 0.044 -20.118 1.00 71.64 42 A 1 ATOM 331 C CA . THR A 0 42 . 18.457 0.405 -20.213 1.00 71.64 42 A 1 ATOM 332 C C . THR A 0 42 . 17.634 -0.398 -19.213 1.00 71.64 42 A 1 ATOM 333 C CB . THR A 0 42 . 17.905 0.230 -21.635 1.00 71.64 42 A 1 ATOM 334 O O . THR A 0 42 . 17.502 -1.619 -19.318 1.00 71.64 42 A 1 ATOM 335 C CG2 . THR A 0 42 . 18.350 1.372 -22.546 1.00 71.64 42 A 1 ATOM 336 O OG1 . THR A 0 42 . 18.362 -0.964 -22.234 1.00 71.64 42 A 1 ATOM 337 N N . CYS A 0 43 . 17.022 0.281 -18.247 1.00 70.32 43 A 1 ATOM 338 C CA . CYS A 0 43 . 15.974 -0.353 -17.454 1.00 70.32 43 A 1 ATOM 339 C C . CYS A 0 43 . 14.692 -0.475 -18.269 1.00 70.32 43 A 1 ATOM 340 C CB . CYS A 0 43 . 15.620 0.467 -16.241 1.00 70.32 43 A 1 ATOM 341 O O . CYS A 0 43 . 14.155 0.517 -18.754 1.00 70.32 43 A 1 ATOM 342 S SG . CYS A 0 43 . 16.878 0.712 -15.013 1.00 70.32 43 A 1 ATOM 343 N N . THR A 0 44 . 14.141 -1.679 -18.339 1.00 66.02 44 A 1 ATOM 344 C CA . THR A 0 44 . 12.850 -1.959 -18.988 1.00 66.02 44 A 1 ATOM 345 C C . THR A 0 44 . 11.658 -1.949 -18.019 1.00 66.02 44 A 1 ATOM 346 C CB . THR A 0 44 . 12.935 -3.261 -19.804 1.00 66.02 44 A 1 ATOM 347 O O . THR A 0 44 . 10.551 -2.306 -18.408 1.00 66.02 44 A 1 ATOM 348 C CG2 . THR A 0 44 . 13.508 -2.993 -21.195 1.00 66.02 44 A 1 ATOM 349 O OG1 . THR A 0 44 . 13.806 -4.192 -19.194 1.00 66.02 44 A 1 ATOM 350 N N . GLY A 0 45 . 11.849 -1.523 -16.765 1.00 61.43 45 A 1 ATOM 351 C CA . GLY A 0 45 . 10.788 -1.428 -15.753 1.00 61.43 45 A 1 ATOM 352 C C . GLY A 0 45 . 10.279 0.000 -15.541 1.00 61.43 45 A 1 ATOM 353 O O . GLY A 0 45 . 11.025 0.959 -15.727 1.00 61.43 45 A 1 ATOM 354 N N . ALA A 0 46 . 9.017 0.149 -15.120 1.00 59.44 46 A 1 ATOM 355 C CA . ALA A 0 46 . 8.464 1.440 -14.710 1.00 59.44 46 A 1 ATOM 356 C C . ALA A 0 46 . 9.301 2.025 -13.553 1.00 59.44 46 A 1 ATOM 357 C CB . ALA A 0 46 . 6.987 1.262 -14.328 1.00 59.44 46 A 1 ATOM 358 O O . ALA A 0 46 . 9.408 1.418 -12.489 1.00 59.44 46 A 1 ATOM 359 N N . ILE A 0 47 . 9.893 3.201 -13.777 1.00 62.66 47 A 1 ATOM 360 C CA . ILE A 0 47 . 10.900 3.872 -12.929 1.00 62.66 47 A 1 ATOM 361 C C . ILE A 0 47 . 10.229 4.526 -11.691 1.00 62.66 47 A 1 ATOM 362 C CB . ILE A 0 47 . 11.759 4.827 -13.831 1.00 62.66 47 A 1 ATOM 363 O O . ILE A 0 47 . 10.466 5.678 -11.381 1.00 62.66 47 A 1 ATOM 364 C CG1 . ILE A 0 47 . 12.372 4.052 -15.030 1.00 62.66 47 A 1 ATOM 365 C CG2 . ILE A 0 47 . 12.902 5.548 -13.092 1.00 62.66 47 A 1 ATOM 366 C CD1 . ILE A 0 47 . 13.191 4.886 -16.030 1.00 62.66 47 A 1 ATOM 367 N N . PHE A 0 48 . 9.344 3.806 -10.991 1.00 65.98 48 A 1 ATOM 368 C CA . PHE A 0 48 . 8.438 4.292 -9.932 1.00 65.98 48 A 1 ATOM 369 C C . PHE A 0 48 . 7.330 5.223 -10.424 1.00 65.98 48 A 1 ATOM 370 C CB . PHE A 0 48 . 9.216 4.860 -8.740 1.00 65.98 48 A 1 ATOM 371 O O . PHE A 0 48 . 7.450 6.446 -10.473 1.00 65.98 48 A 1 ATOM 372 C CG . PHE A 0 48 . 8.458 5.268 -7.512 1.00 65.98 48 A 1 ATOM 373 C CD1 . PHE A 0 48 . 8.346 6.615 -7.131 1.00 65.98 48 A 1 ATOM 374 C CD2 . PHE A 0 48 . 8.009 4.252 -6.659 1.00 65.98 48 A 1 ATOM 375 C CE1 . PHE A 0 48 . 7.777 6.933 -5.883 1.00 65.98 48 A 1 ATOM 376 C CE2 . PHE A 0 48 . 7.448 4.566 -5.416 1.00 65.98 48 A 1 ATOM 377 C CZ . PHE A 0 48 . 7.318 5.909 -5.038 1.00 65.98 48 A 1 ATOM 378 N N . ASN A 0 49 . 6.182 4.614 -10.716 1.00 76.10 49 A 1 ATOM 379 C CA . ASN A 0 49 . 4.940 5.348 -10.865 1.00 76.10 49 A 1 ATOM 380 C C . ASN A 0 49 . 4.453 5.804 -9.478 1.00 76.10 49 A 1 ATOM 381 C CB . ASN A 0 49 . 3.940 4.474 -11.632 1.00 76.10 49 A 1 ATOM 382 O O . ASN A 0 49 . 3.895 5.025 -8.704 1.00 76.10 49 A 1 ATOM 383 C CG . ASN A 0 49 . 2.657 5.223 -11.930 1.00 76.10 49 A 1 ATOM 384 N ND2 . ASN A 0 49 . 1.829 4.700 -12.797 1.00 76.10 49 A 1 ATOM 385 O OD1 . ASN A 0 49 . 2.394 6.284 -11.392 1.00 76.10 49 A 1 ATOM 386 N N . VAL A 0 50 . 4.693 7.077 -9.162 1.00 74.15 50 A 1 ATOM 387 C CA . VAL A 0 50 . 4.272 7.698 -7.897 1.00 74.15 50 A 1 ATOM 388 C C . VAL A 0 50 . 2.756 7.598 -7.712 1.00 74.15 50 A 1 ATOM 389 C CB . VAL A 0 50 . 4.690 9.182 -7.856 1.00 74.15 50 A 1 ATOM 390 O O . VAL A 0 50 . 2.295 7.357 -6.599 1.00 74.15 50 A 1 ATOM 391 C CG1 . VAL A 0 50 . 4.324 9.840 -6.519 1.00 74.15 50 A 1 ATOM 392 C CG2 . VAL A 0 50 . 6.195 9.388 -8.063 1.00 74.15 50 A 1 ATOM 393 N N . GLU A 0 51 . 1.985 7.761 -8.788 1.00 76.76 51 A 1 ATOM 394 C CA . GLU A 0 51 . 0.523 7.685 -8.757 1.00 76.76 51 A 1 ATOM 395 C C . GLU A 0 51 . 0.060 6.276 -8.381 1.00 76.76 51 A 1 ATOM 396 C CB . GLU A 0 51 . -0.030 8.120 -10.122 1.00 76.76 51 A 1 ATOM 397 O O . GLU A 0 51 . -0.687 6.113 -7.418 1.00 76.76 51 A 1 ATOM 398 C CG . GLU A 0 51 . -1.561 8.174 -10.160 1.00 76.76 51 A 1 ATOM 399 C CD . GLU A 0 51 . -2.105 8.516 -11.556 1.00 76.76 51 A 1 ATOM 400 O OE1 . GLU A 0 51 . -3.327 8.324 -11.743 1.00 76.76 51 A 1 ATOM 401 O OE2 . GLU A 0 51 . -1.318 8.975 -12.414 1.00 76.76 51 A 1 ATOM 402 N N . GLU A 0 52 . 0.569 5.253 -9.069 1.00 81.13 52 A 1 ATOM 403 C CA . GLU A 0 52 . 0.270 3.849 -8.763 1.00 81.13 52 A 1 ATOM 404 C C . GLU A 0 52 . 0.674 3.492 -7.331 1.00 81.13 52 A 1 ATOM 405 C CB . GLU A 0 52 . 0.995 2.960 -9.775 1.00 81.13 52 A 1 ATOM 406 O O . GLU A 0 52 . -0.103 2.881 -6.598 1.00 81.13 52 A 1 ATOM 407 C CG . GLU A 0 52 . 0.677 1.464 -9.646 1.00 81.13 52 A 1 ATOM 408 C CD . GLU A 0 52 . 1.350 0.636 -10.756 1.00 81.13 52 A 1 ATOM 409 O OE1 . GLU A 0 52 . 1.009 -0.562 -10.869 1.00 81.13 52 A 1 ATOM 410 O OE2 . GLU A 0 52 . 2.204 1.198 -11.488 1.00 81.13 52 A 1 ATOM 411 N N . PHE A 0 53 . 1.845 3.952 -6.884 1.00 78.18 53 A 1 ATOM 412 C CA . PHE A 0 53 . 2.290 3.748 -5.512 1.00 78.18 53 A 1 ATOM 413 C C . PHE A 0 53 . 1.336 4.389 -4.489 1.00 78.18 53 A 1 ATOM 414 C CB . PHE A 0 53 . 3.720 4.279 -5.366 1.00 78.18 53 A 1 ATOM 415 O O . PHE A 0 53 . 0.965 3.747 -3.506 1.00 78.18 53 A 1 ATOM 416 C CG . PHE A 0 53 . 4.240 4.128 -3.956 1.00 78.18 53 A 1 ATOM 417 C CD1 . PHE A 0 53 . 4.369 5.254 -3.126 1.00 78.18 53 A 1 ATOM 418 C CD2 . PHE A 0 53 . 4.503 2.842 -3.451 1.00 78.18 53 A 1 ATOM 419 C CE1 . PHE A 0 53 . 4.739 5.086 -1.783 1.00 78.18 53 A 1 ATOM 420 C CE2 . PHE A 0 53 . 4.867 2.673 -2.107 1.00 78.18 53 A 1 ATOM 421 C CZ . PHE A 0 53 . 4.952 3.793 -1.268 1.00 78.18 53 A 1 ATOM 422 N N . ILE A 0 54 . 0.893 5.631 -4.709 1.00 78.36 54 A 1 ATOM 423 C CA . ILE A 0 54 . -0.075 6.304 -3.827 1.00 78.36 54 A 1 ATOM 424 C C . ILE A 0 54 . -1.417 5.563 -3.825 1.00 78.36 54 A 1 ATOM 425 C CB . ILE A 0 54 . -0.233 7.789 -4.226 1.00 78.36 54 A 1 ATOM 426 O O . ILE A 0 54 . -2.003 5.374 -2.755 1.00 78.36 54 A 1 ATOM 427 C CG1 . ILE A 0 54 . 1.049 8.570 -3.858 1.00 78.36 54 A 1 ATOM 428 C CG2 . ILE A 0 54 . -1.450 8.437 -3.532 1.00 78.36 54 A 1 ATOM 429 C CD1 . ILE A 0 54 . 1.114 9.971 -4.480 1.00 78.36 54 A 1 ATOM 430 N N . LEU A 0 55 . -1.893 5.110 -4.986 1.00 82.29 55 A 1 ATOM 431 C CA . LEU A 0 55 . -3.131 4.338 -5.103 1.00 82.29 55 A 1 ATOM 432 C C . LEU A 0 55 . -3.037 2.999 -4.360 1.00 82.29 55 A 1 ATOM 433 C CB . LEU A 0 55 . -3.461 4.122 -6.591 1.00 82.29 55 A 1 ATOM 434 O O . LEU A 0 55 . -3.968 2.636 -3.638 1.00 82.29 55 A 1 ATOM 435 C CG . LEU A 0 55 . -3.915 5.386 -7.345 1.00 82.29 55 A 1 ATOM 436 C CD1 . LEU A 0 55 . -4.042 5.066 -8.833 1.00 82.29 55 A 1 ATOM 437 C CD2 . LEU A 0 55 . -5.270 5.897 -6.844 1.00 82.29 55 A 1 ATOM 438 N N . GLU A 0 56 . -1.907 2.296 -4.458 1.00 81.91 56 A 1 ATOM 439 C CA . GLU A 0 56 . -1.644 1.076 -3.689 1.00 81.91 56 A 1 ATOM 440 C C . GLU A 0 56 . -1.641 1.346 -2.179 1.00 81.91 56 A 1 ATOM 441 C CB . GLU A 0 56 . -0.285 0.466 -4.062 1.00 81.91 56 A 1 ATOM 442 O O . GLU A 0 56 . -2.248 0.587 -1.416 1.00 81.91 56 A 1 ATOM 443 C CG . GLU A 0 56 . -0.241 -0.313 -5.384 1.00 81.91 56 A 1 ATOM 444 C CD . GLU A 0 56 . 1.150 -0.945 -5.613 1.00 81.91 56 A 1 ATOM 445 O OE1 . GLU A 0 56 . 1.373 -1.590 -6.656 1.00 81.91 56 A 1 ATOM 446 O OE2 . GLU A 0 56 . 2.032 -0.869 -4.714 1.00 81.91 56 A 1 ATOM 447 N N . ILE A 0 57 . -0.984 2.421 -1.721 1.00 81.16 57 A 1 ATOM 448 C CA . ILE A 0 57 . -1.002 2.812 -0.302 1.00 81.16 57 A 1 ATOM 449 C C . ILE A 0 57 . -2.436 3.064 0.147 1.00 81.16 57 A 1 ATOM 450 C CB . ILE A 0 57 . -0.167 4.082 -0.020 1.00 81.16 57 A 1 ATOM 451 O O . ILE A 0 57 . -2.861 2.539 1.178 1.00 81.16 57 A 1 ATOM 452 C CG1 . ILE A 0 57 . 1.335 3.863 -0.265 1.00 81.16 57 A 1 ATOM 453 C CG2 . ILE A 0 57 . -0.400 4.538 1.445 1.00 81.16 57 A 1 ATOM 454 C CD1 . ILE A 0 57 . 2.091 5.194 -0.290 1.00 81.16 57 A 1 ATOM 455 N N . TRP A 0 58 . -3.170 3.877 -0.612 1.00 80.99 58 A 1 ATOM 456 C CA . TRP A 0 58 . -4.517 4.291 -0.257 1.00 80.99 58 A 1 ATOM 457 C C . TRP A 0 58 . -5.471 3.103 -0.208 1.00 80.99 58 A 1 ATOM 458 C CB . TRP A 0 58 . -5.008 5.353 -1.239 1.00 80.99 58 A 1 ATOM 459 O O . TRP A 0 58 . -6.188 2.941 0.775 1.00 80.99 58 A 1 ATOM 460 C CG . TRP A 0 58 . -6.335 5.910 -0.847 1.00 80.99 58 A 1 ATOM 461 C CD1 . TRP A 0 58 . -7.506 5.708 -1.491 1.00 80.99 58 A 1 ATOM 462 C CD2 . TRP A 0 58 . -6.651 6.720 0.324 1.00 80.99 58 A 1 ATOM 463 C CE2 . TRP A 0 58 . -8.053 6.981 0.324 1.00 80.99 58 A 1 ATOM 464 C CE3 . TRP A 0 58 . -5.891 7.259 1.385 1.00 80.99 58 A 1 ATOM 465 N NE1 . TRP A 0 58 . -8.523 6.344 -0.806 1.00 80.99 58 A 1 ATOM 466 C CH2 . TRP A 0 58 . -7.887 8.271 2.365 1.00 80.99 58 A 1 ATOM 467 C CZ2 . TRP A 0 58 . -8.672 7.744 1.324 1.00 80.99 58 A 1 ATOM 468 C CZ3 . TRP A 0 58 . -6.502 8.027 2.395 1.00 80.99 58 A 1 ATOM 469 N N . SER A 0 59 . -5.420 2.224 -1.209 1.00 82.50 59 A 1 ATOM 470 C CA . SER A 0 59 . -6.209 0.993 -1.253 1.00 82.50 59 A 1 ATOM 471 C C . SER A 0 59 . -5.901 0.081 -0.061 1.00 82.50 59 A 1 ATOM 472 C CB . SER A 0 59 . -5.928 0.276 -2.576 1.00 82.50 59 A 1 ATOM 473 O O . SER A 0 59 . -6.809 -0.362 0.644 1.00 82.50 59 A 1 ATOM 474 O OG . SER A 0 59 . -6.711 -0.895 -2.679 1.00 82.50 59 A 1 ATOM 475 N N . ASN A 0 60 . -4.620 -0.139 0.248 1.00 82.78 60 A 1 ATOM 476 C CA . ASN A 0 60 . -4.212 -0.973 1.381 1.00 82.78 60 A 1 ATOM 477 C C . ASN A 0 60 . -4.630 -0.384 2.735 1.00 82.78 60 A 1 ATOM 478 C CB . ASN A 0 60 . -2.691 -1.173 1.325 1.00 82.78 60 A 1 ATOM 479 O O . ASN A 0 60 . -5.072 -1.119 3.625 1.00 82.78 60 A 1 ATOM 480 C CG . ASN A 0 60 . -2.289 -2.201 0.287 1.00 82.78 60 A 1 ATOM 481 N ND2 . ASN A 0 60 . -1.248 -1.953 -0.465 1.00 82.78 60 A 1 ATOM 482 O OD1 . ASN A 0 60 . -2.881 -3.259 0.180 1.00 82.78 60 A 1 ATOM 483 N N . LEU A 0 61 . -4.496 0.934 2.902 1.00 80.93 61 A 1 ATOM 484 C CA . LEU A 0 61 . -4.932 1.635 4.105 1.00 80.93 61 A 1 ATOM 485 C C . LEU A 0 61 . -6.454 1.572 4.246 1.00 80.93 61 A 1 ATOM 486 C CB . LEU A 0 61 . -4.428 3.087 4.056 1.00 80.93 61 A 1 ATOM 487 O O . LEU A 0 61 . -6.948 1.218 5.316 1.00 80.93 61 A 1 ATOM 488 C CG . LEU A 0 61 . -4.854 3.929 5.273 1.00 80.93 61 A 1 ATOM 489 C CD1 . LEU A 0 61 . -4.277 3.382 6.583 1.00 80.93 61 A 1 ATOM 490 C CD2 . LEU A 0 61 . -4.378 5.368 5.095 1.00 80.93 61 A 1 ATOM 491 N N . TYR A 0 62 . -7.181 1.869 3.169 1.00 81.57 62 A 1 ATOM 492 C CA . TYR A 0 62 . -8.636 1.805 3.118 1.00 81.57 62 A 1 ATOM 493 C C . TYR A 0 62 . -9.139 0.414 3.497 1.00 81.57 62 A 1 ATOM 494 C CB . TYR A 0 62 . -9.128 2.201 1.720 1.00 81.57 62 A 1 ATOM 495 O O . TYR A 0 62 . -9.961 0.305 4.400 1.00 81.57 62 A 1 ATOM 496 C CG . TYR A 0 62 . -10.619 1.998 1.548 1.00 81.57 62 A 1 ATOM 497 C CD1 . TYR A 0 62 . -11.103 0.824 0.937 1.00 81.57 62 A 1 ATOM 498 C CD2 . TYR A 0 62 . -11.520 2.954 2.053 1.00 81.57 62 A 1 ATOM 499 C CE1 . TYR A 0 62 . -12.489 0.606 0.833 1.00 81.57 62 A 1 ATOM 500 C CE2 . TYR A 0 62 . -12.908 2.742 1.943 1.00 81.57 62 A 1 ATOM 501 O OH . TYR A 0 62 . -14.731 1.353 1.227 1.00 81.57 62 A 1 ATOM 502 C CZ . TYR A 0 62 . -13.393 1.564 1.332 1.00 81.57 62 A 1 ATOM 503 N N . ASN A 0 63 . -8.599 -0.647 2.893 1.00 83.31 63 A 1 ATOM 504 C CA . ASN A 0 63 . -9.014 -2.021 3.180 1.00 83.31 63 A 1 ATOM 505 C C . ASN A 0 63 . -8.768 -2.393 4.647 1.00 83.31 63 A 1 ATOM 506 C CB . ASN A 0 63 . -8.290 -2.976 2.214 1.00 83.31 63 A 1 ATOM 507 O O . ASN A 0 63 . -9.662 -2.905 5.316 1.00 83.31 63 A 1 ATOM 508 C CG . ASN A 0 63 . -8.825 -2.874 0.795 1.00 83.31 63 A 1 ATOM 509 N ND2 . ASN A 0 63 . -8.001 -3.108 -0.198 1.00 83.31 63 A 1 ATOM 510 O OD1 . ASN A 0 63 . -9.988 -2.591 0.562 1.00 83.31 63 A 1 ATOM 511 N N . ARG A 0 64 . -7.595 -2.059 5.198 1.00 81.72 64 A 1 ATOM 512 C CA . ARG A 0 64 . -7.281 -2.352 6.607 1.00 81.72 64 A 1 ATOM 513 C C . ARG A 0 64 . -8.132 -1.554 7.586 1.00 81.72 64 A 1 ATOM 514 C CB . ARG A 0 64 . -5.796 -2.101 6.865 1.00 81.72 64 A 1 ATOM 515 O O . ARG A 0 64 . -8.529 -2.089 8.623 1.00 81.72 64 A 1 ATOM 516 C CG . ARG A 0 64 . -4.956 -3.258 6.315 1.00 81.72 64 A 1 ATOM 517 C CD . ARG A 0 64 . -3.487 -2.893 6.471 1.00 81.72 64 A 1 ATOM 518 N NE . ARG A 0 64 . -2.574 -4.013 6.192 1.00 81.72 64 A 1 ATOM 519 N NH1 . ARG A 0 64 . -1.184 -3.835 8.028 1.00 81.72 64 A 1 ATOM 520 N NH2 . ARG A 0 64 . -0.699 -5.276 6.401 1.00 81.72 64 A 1 ATOM 521 C CZ . ARG A 0 64 . -1.499 -4.365 6.877 1.00 81.72 64 A 1 ATOM 522 N N . LEU A 0 65 . -8.417 -0.289 7.282 1.00 81.50 65 A 1 ATOM 523 C CA . LEU A 0 65 . -9.338 0.512 8.083 1.00 81.50 65 A 1 ATOM 524 C C . LEU A 0 65 . -10.756 -0.042 7.978 1.00 81.50 65 A 1 ATOM 525 C CB . LEU A 0 65 . -9.290 1.988 7.657 1.00 81.50 65 A 1 ATOM 526 O O . LEU A 0 65 . -11.389 -0.227 9.009 1.00 81.50 65 A 1 ATOM 527 C CG . LEU A 0 65 . -8.024 2.738 8.106 1.00 81.50 65 A 1 ATOM 528 C CD1 . LEU A 0 65 . -8.055 4.152 7.527 1.00 81.50 65 A 1 ATOM 529 C CD2 . LEU A 0 65 . -7.922 2.857 9.631 1.00 81.50 65 A 1 ATOM 530 N N . ALA A 0 66 . -11.234 -0.358 6.776 1.00 80.43 66 A 1 ATOM 531 C CA . ALA A 0 66 . -12.548 -0.947 6.556 1.00 80.43 66 A 1 ATOM 532 C C . ALA A 0 66 . -12.706 -2.261 7.328 1.00 80.43 66 A 1 ATOM 533 C CB . ALA A 0 66 . -12.766 -1.149 5.052 1.00 80.43 66 A 1 ATOM 534 O O . ALA A 0 66 . -13.720 -2.448 7.991 1.00 80.43 66 A 1 ATOM 535 N N . ASP A 0 67 . -11.704 -3.137 7.318 1.00 80.74 67 A 1 ATOM 536 C CA . ASP A 0 67 . -11.737 -4.386 8.081 1.00 80.74 67 A 1 ATOM 537 C C . ASP A 0 67 . -11.685 -4.142 9.593 1.00 80.74 67 A 1 ATOM 538 C CB . ASP A 0 67 . -10.608 -5.308 7.612 1.00 80.74 67 A 1 ATOM 539 O O . ASP A 0 67 . -12.438 -4.759 10.345 1.00 80.74 67 A 1 ATOM 540 C CG . ASP A 0 67 . -10.846 -5.867 6.201 1.00 80.74 67 A 1 ATOM 541 O OD1 . ASP A 0 67 . -12.020 -5.861 5.725 1.00 80.74 67 A 1 ATOM 542 O OD2 . ASP A 0 67 . -9.838 -6.328 5.624 1.00 80.74 67 A 1 ATOM 543 N N . THR A 0 68 . -10.886 -3.173 10.050 1.00 79.36 68 A 1 ATOM 544 C CA . THR A 0 68 . -10.879 -2.757 11.463 1.00 79.36 68 A 1 ATOM 545 C C . THR A 0 68 . -12.251 -2.232 11.889 1.00 79.36 68 A 1 ATOM 546 C CB . THR A 0 68 . -9.813 -1.683 11.725 1.00 79.36 68 A 1 ATOM 547 O O . THR A 0 68 . -12.764 -2.616 12.940 1.00 79.36 68 A 1 ATOM 548 C CG2 . THR A 0 68 . -9.725 -1.296 13.202 1.00 79.36 68 A 1 ATOM 549 O OG1 . THR A 0 68 . -8.533 -2.154 11.366 1.00 79.36 68 A 1 ATOM 550 N N . TRP A 0 69 . -12.875 -1.389 11.064 1.00 79.18 69 A 1 ATOM 551 C CA . TRP A 0 69 . -14.205 -0.837 11.306 1.00 79.18 69 A 1 ATOM 552 C C . TRP A 0 69 . -15.287 -1.907 11.255 1.00 79.18 69 A 1 ATOM 553 C CB . TRP A 0 69 . -14.503 0.286 10.307 1.00 79.18 69 A 1 ATOM 554 O O . TRP A 0 69 . -16.139 -1.924 12.136 1.00 79.18 69 A 1 ATOM 555 C CG . TRP A 0 69 . -13.882 1.597 10.670 1.00 79.18 69 A 1 ATOM 556 C CD1 . TRP A 0 69 . -12.909 2.245 9.991 1.00 79.18 69 A 1 ATOM 557 C CD2 . TRP A 0 69 . -14.224 2.463 11.792 1.00 79.18 69 A 1 ATOM 558 C CE2 . TRP A 0 69 . -13.372 3.606 11.758 1.00 79.18 69 A 1 ATOM 559 C CE3 . TRP A 0 69 . -15.194 2.412 12.816 1.00 79.18 69 A 1 ATOM 560 N NE1 . TRP A 0 69 . -12.584 3.417 10.644 1.00 79.18 69 A 1 ATOM 561 C CH2 . TRP A 0 69 . -14.426 4.552 13.716 1.00 79.18 69 A 1 ATOM 562 C CZ2 . TRP A 0 69 . -13.454 4.635 12.705 1.00 79.18 69 A 1 ATOM 563 C CZ3 . TRP A 0 69 . -15.298 3.449 13.763 1.00 79.18 69 A 1 ATOM 564 N N . LYS A 0 70 . -15.240 -2.841 10.299 1.00 79.96 70 A 1 ATOM 565 C CA . LYS A 0 70 . -16.136 -4.005 10.276 1.00 79.96 70 A 1 ATOM 566 C C . LYS A 0 70 . -16.027 -4.776 11.582 1.00 79.96 70 A 1 ATOM 567 C CB . LYS A 0 70 . -15.794 -4.939 9.110 1.00 79.96 70 A 1 ATOM 568 O O . LYS A 0 70 . -17.044 -5.047 12.205 1.00 79.96 70 A 1 ATOM 569 C CG . LYS A 0 70 . -16.280 -4.442 7.741 1.00 79.96 70 A 1 ATOM 570 C CD . LYS A 0 70 . -15.670 -5.359 6.677 1.00 79.96 70 A 1 ATOM 571 C CE . LYS A 0 70 . -15.839 -4.840 5.252 1.00 79.96 70 A 1 ATOM 572 N NZ . LYS A 0 70 . -14.875 -5.547 4.367 1.00 79.96 70 A 1 ATOM 573 N N . CYS A 0 71 . -14.813 -5.072 12.035 1.00 75.52 71 A 1 ATOM 574 C CA . CYS A 0 71 . -14.621 -5.809 13.276 1.00 75.52 71 A 1 ATOM 575 C C . CYS A 0 71 . -15.074 -5.035 14.514 1.00 75.52 71 A 1 ATOM 576 C CB . CYS A 0 71 . -13.164 -6.256 13.359 1.00 75.52 71 A 1 ATOM 577 O O . CYS A 0 71 . -15.641 -5.639 15.422 1.00 75.52 71 A 1 ATOM 578 S SG . CYS A 0 71 . -12.784 -7.499 12.098 1.00 75.52 71 A 1 ATOM 579 N N . LEU A 0 72 . -14.892 -3.713 14.542 1.00 78.75 72 A 1 ATOM 580 C CA . LEU A 0 72 . -15.429 -2.870 15.607 1.00 78.75 72 A 1 ATOM 581 C C . LEU A 0 72 . -16.963 -2.875 15.612 1.00 78.75 72 A 1 ATOM 582 C CB . LEU A 0 72 . -14.869 -1.447 15.450 1.00 78.75 72 A 1 ATOM 583 O O . LEU A 0 72 . -17.566 -3.098 16.658 1.00 78.75 72 A 1 ATOM 584 C CG . LEU A 0 72 . -15.368 -0.475 16.534 1.00 78.75 72 A 1 ATOM 585 C CD1 . LEU A 0 72 . -14.886 -0.862 17.933 1.00 78.75 72 A 1 ATOM 586 C CD2 . LEU A 0 72 . -14.870 0.931 16.226 1.00 78.75 72 A 1 ATOM 587 N N . LEU A 0 73 . -17.589 -2.670 14.450 1.00 74.94 73 A 1 ATOM 588 C CA . LEU A 0 73 . -19.045 -2.685 14.302 1.00 74.94 73 A 1 ATOM 589 C C . LEU A 0 73 . -19.621 -4.042 14.691 1.00 74.94 73 A 1 ATOM 590 C CB . LEU A 0 73 . -19.437 -2.337 12.856 1.00 74.94 73 A 1 ATOM 591 O O . LEU A 0 73 . -20.652 -4.114 15.340 1.00 74.94 73 A 1 ATOM 592 C CG . LEU A 0 73 . -19.225 -0.862 12.471 1.00 74.94 73 A 1 ATOM 593 C CD1 . LEU A 0 73 . -19.540 -0.685 10.985 1.00 74.94 73 A 1 ATOM 594 C CD2 . LEU A 0 73 . -20.119 0.083 13.274 1.00 74.94 73 A 1 ATOM 595 N N . LEU A 0 74 . -18.943 -5.136 14.369 1.00 76.09 74 A 1 ATOM 596 C CA . LEU A 0 74 . -19.426 -6.447 14.761 1.00 76.09 74 A 1 ATOM 597 C C . LEU A 0 74 . -19.460 -6.651 16.288 1.00 76.09 74 A 1 ATOM 598 C CB . LEU A 0 74 . -18.582 -7.515 14.077 1.00 76.09 74 A 1 ATOM 599 O O . LEU A 0 74 . -20.337 -7.363 16.752 1.00 76.09 74 A 1 ATOM 600 C CG . LEU A 0 74 . -18.785 -7.750 12.574 1.00 76.09 74 A 1 ATOM 601 C CD1 . LEU A 0 74 . -17.803 -8.816 12.101 1.00 76.09 74 A 1 ATOM 602 C CD2 . LEU A 0 74 . -20.197 -8.221 12.247 1.00 76.09 74 A 1 ATOM 603 N N . VAL A 0 75 . -18.580 -6.020 17.072 1.00 75.71 75 A 1 ATOM 604 C CA . VAL A 0 75 . -18.588 -6.112 18.552 1.00 75.71 75 A 1 ATOM 605 C C . VAL A 0 75 . -19.483 -5.061 19.205 1.00 75.71 75 A 1 ATOM 606 C CB . VAL A 0 75 . -17.157 -5.997 19.115 1.00 75.71 75 A 1 ATOM 607 O O . VAL A 0 75 . -19.927 -5.247 20.338 1.00 75.71 75 A 1 ATOM 608 C CG1 . VAL A 0 75 . -17.079 -6.140 20.644 1.00 75.71 75 A 1 ATOM 609 C CG2 . VAL A 0 75 . -16.297 -7.123 18.554 1.00 75.71 75 A 1 ATOM 610 N N . LEU A 0 76 . -19.741 -3.950 18.515 1.00 74.06 76 A 1 ATOM 611 C CA . LEU A 0 76 . -20.576 -2.877 19.038 1.00 74.06 76 A 1 ATOM 612 C C . LEU A 0 76 . -21.975 -3.418 19.403 1.00 74.06 76 A 1 ATOM 613 C CB . LEU A 0 76 . -20.667 -1.726 18.013 1.00 74.06 76 A 1 ATOM 614 O O . LEU A 0 76 . -22.515 -4.276 18.694 1.00 74.06 76 A 1 ATOM 615 C CG . LEU A 0 76 . -20.319 -0.337 18.572 1.00 74.06 76 A 1 ATOM 616 C CD1 . LEU A 0 76 . -18.815 -0.146 18.755 1.00 74.06 76 A 1 ATOM 617 C CD2 . LEU A 0 76 . -20.787 0.736 17.604 1.00 74.06 76 A 1 ATOM 618 N N . PRO A 0 77 . -22.591 -2.925 20.488 1.00 72.32 77 A 1 ATOM 619 C CA . PRO A 0 77 . -23.987 -3.227 20.769 1.00 72.32 77 A 1 ATOM 620 C C . PRO A 0 77 . -24.900 -2.698 19.648 1.00 72.32 77 A 1 ATOM 621 C CB . PRO A 0 77 . -24.256 -2.611 22.144 1.00 72.32 77 A 1 ATOM 622 O O . PRO A 0 77 . -24.607 -1.690 18.999 1.00 72.32 77 A 1 ATOM 623 C CG . PRO A 0 77 . -23.238 -1.472 22.237 1.00 72.32 77 A 1 ATOM 624 C CD . PRO A 0 77 . -22.034 -2.063 21.518 1.00 72.32 77 A 1 ATOM 625 N N . GLU A 0 78 . -26.016 -3.391 19.408 1.00 80.23 78 A 1 ATOM 626 C CA . GLU A 0 78 . -26.934 -3.103 18.291 1.00 80.23 78 A 1 ATOM 627 C C . GLU A 0 78 . -27.489 -1.672 18.323 1.00 80.23 78 A 1 ATOM 628 C CB . GLU A 0 78 . -28.113 -4.085 18.312 1.00 80.23 78 A 1 ATOM 629 O O . GLU A 0 78 . -27.704 -1.068 17.275 1.00 80.23 78 A 1 ATOM 630 C CG . GLU A 0 78 . -27.686 -5.536 18.049 1.00 80.23 78 A 1 ATOM 631 C CD . GLU A 0 78 . -28.875 -6.502 17.944 1.00 80.23 78 A 1 ATOM 632 O OE1 . GLU A 0 78 . -28.623 -7.652 17.518 1.00 80.23 78 A 1 ATOM 633 O OE2 . GLU A 0 78 . -30.002 -6.104 18.316 1.00 80.23 78 A 1 ATOM 634 N N . ASN A 0 79 . -27.641 -1.082 19.515 1.00 80.98 79 A 1 ATOM 635 C CA . ASN A 0 79 . -28.090 0.303 19.687 1.00 80.98 79 A 1 ATOM 636 C C . ASN A 0 79 . -27.128 1.348 19.090 1.00 80.98 79 A 1 ATOM 637 C CB . ASN A 0 79 . -28.339 0.584 21.181 1.00 80.98 79 A 1 ATOM 638 O O . ASN A 0 79 . -27.538 2.481 18.856 1.00 80.98 79 A 1 ATOM 639 C CG . ASN A 0 79 . -27.066 0.664 22.008 1.00 80.98 79 A 1 ATOM 640 N ND2 . ASN A 0 79 . -27.025 1.502 23.016 1.00 80.98 79 A 1 ATOM 641 O OD1 . ASN A 0 79 . -26.094 -0.027 21.779 1.00 80.98 79 A 1 ATOM 642 N N . LEU A 0 80 . -25.868 0.982 18.848 1.00 78.67 80 A 1 ATOM 643 C CA . LEU A 0 80 . -24.874 1.805 18.159 1.00 78.67 80 A 1 ATOM 644 C C . LEU A 0 80 . -24.616 1.322 16.715 1.00 78.67 80 A 1 ATOM 645 C CB . LEU A 0 80 . -23.593 1.859 19.011 1.00 78.67 80 A 1 ATOM 646 O O . LEU A 0 80 . -23.678 1.785 16.070 1.00 78.67 80 A 1 ATOM 647 C CG . LEU A 0 80 . -23.717 2.496 20.405 1.00 78.67 80 A 1 ATOM 648 C CD1 . LEU A 0 80 . -22.365 2.404 21.118 1.00 78.67 80 A 1 ATOM 649 C CD2 . LEU A 0 80 . -24.121 3.970 20.335 1.00 78.67 80 A 1 ATOM 650 N N . GLY A 0 81 . -25.436 0.398 16.199 1.00 72.20 81 A 1 ATOM 651 C CA . GLY A 0 81 . -25.339 -0.136 14.836 1.00 72.20 81 A 1 ATOM 652 C C . GLY A 0 81 . -24.466 -1.385 14.680 1.00 72.20 81 A 1 ATOM 653 O O . GLY A 0 81 . -24.026 -1.672 13.565 1.00 72.20 81 A 1 ATOM 654 N N . GLY A 0 82 . -24.178 -2.114 15.765 1.00 75.35 82 A 1 ATOM 655 C CA . GLY A 0 82 . -23.346 -3.319 15.703 1.00 75.35 82 A 1 ATOM 656 C C . GLY A 0 82 . -24.075 -4.660 15.545 1.00 75.35 82 A 1 ATOM 657 O O . GLY A 0 82 . -25.292 -4.687 15.391 1.00 75.35 82 A 1 ATOM 658 N N . LYS A 0 83 . -23.322 -5.780 15.532 1.00 72.16 83 A 1 ATOM 659 C CA . LYS A 0 83 . -23.843 -7.156 15.286 1.00 72.16 83 A 1 ATOM 660 C C . LYS A 0 83 . -23.436 -8.222 16.329 1.00 72.16 83 A 1 ATOM 661 C CB . LYS A 0 83 . -23.498 -7.656 13.869 1.00 72.16 83 A 1 ATOM 662 O O . LYS A 0 83 . -23.461 -9.410 16.013 1.00 72.16 83 A 1 ATOM 663 C CG . LYS A 0 83 . -23.962 -6.772 12.704 1.00 72.16 83 A 1 ATOM 664 C CD . LYS A 0 83 . -23.811 -7.531 11.375 1.00 72.16 83 A 1 ATOM 665 C CE . LYS A 0 83 . -24.315 -6.684 10.205 1.00 72.16 83 A 1 ATOM 666 N NZ . LYS A 0 83 . -24.219 -7.427 8.925 1.00 72.16 83 A 1 ATOM 667 N N . THR A 0 84 . -23.012 -7.810 17.527 1.00 68.17 84 A 1 ATOM 668 C CA . THR A 0 84 . -22.649 -8.656 18.695 1.00 68.17 84 A 1 ATOM 669 C C . THR A 0 84 . -21.628 -9.810 18.515 1.00 68.17 84 A 1 ATOM 670 C CB . THR A 0 84 . -23.911 -9.149 19.438 1.00 68.17 84 A 1 ATOM 671 O O . THR A 0 84 . -21.335 -10.504 19.487 1.00 68.17 84 A 1 ATOM 672 C CG2 . THR A 0 84 . -24.742 -7.994 19.998 1.00 68.17 84 A 1 ATOM 673 O OG1 . THR A 0 84 . -24.759 -9.887 18.593 1.00 68.17 84 A 1 ATOM 674 N N . THR A 0 85 . -21.009 -10.011 17.343 1.00 69.23 85 A 1 ATOM 675 C CA . THR A 0 85 . -20.115 -11.154 17.037 1.00 69.23 85 A 1 ATOM 676 C C . THR A 0 85 . -18.671 -10.721 16.706 1.00 69.23 85 A 1 ATOM 677 C CB . THR A 0 85 . -20.677 -11.974 15.864 1.00 69.23 85 A 1 ATOM 678 O O . THR A 0 85 . -18.408 -10.334 15.575 1.00 69.23 85 A 1 ATOM 679 C CG2 . THR A 0 85 . -19.913 -13.288 15.677 1.00 69.23 85 A 1 ATOM 680 O OG1 . THR A 0 85 . -22.023 -12.317 16.091 1.00 69.23 85 A 1 ATOM 681 N N . PRO A 0 86 . -17.686 -10.810 17.618 1.00 66.39 86 A 1 ATOM 682 C CA . PRO A 0 86 . -16.312 -10.360 17.350 1.00 66.39 86 A 1 ATOM 683 C C . PRO A 0 86 . -15.588 -11.105 16.213 1.00 66.39 86 A 1 ATOM 684 C CB . PRO A 0 86 . -15.536 -10.532 18.665 1.00 66.39 86 A 1 ATOM 685 O O . PRO A 0 86 . -15.710 -12.317 16.084 1.00 66.39 86 A 1 ATOM 686 C CG . PRO A 0 86 . -16.506 -11.144 19.676 1.00 66.39 86 A 1 ATOM 687 C CD . PRO A 0 86 . -17.849 -11.305 18.970 1.00 66.39 86 A 1 ATOM 688 N N . CYS A 0 87 . -14.729 -10.398 15.461 1.00 65.20 87 A 1 ATOM 689 C CA . CYS A 0 87 . -13.782 -11.015 14.508 1.00 65.20 87 A 1 ATOM 690 C C . CYS A 0 87 . -12.582 -11.710 15.174 1.00 65.20 87 A 1 ATOM 691 C CB . CYS A 0 87 . -13.136 -9.942 13.631 1.00 65.20 87 A 1 ATOM 692 O O . CYS A 0 87 . -11.851 -12.447 14.517 1.00 65.20 87 A 1 ATOM 693 S SG . CYS A 0 87 . -14.131 -8.994 12.484 1.00 65.20 87 A 1 ATOM 694 N N . TYR A 0 88 . -12.288 -11.377 16.429 1.00 61.30 88 A 1 ATOM 695 C CA . TYR A 0 88 . -11.104 -11.845 17.142 1.00 61.30 88 A 1 ATOM 696 C C . TYR A 0 88 . -11.509 -12.795 18.261 1.00 61.30 88 A 1 ATOM 697 C CB . TYR A 0 88 . -10.272 -10.659 17.648 1.00 61.30 88 A 1 ATOM 698 O O . TYR A 0 88 . -12.574 -12.658 18.862 1.00 61.30 88 A 1 ATOM 699 C CG . TYR A 0 88 . -11.032 -9.673 18.515 1.00 61.30 88 A 1 ATOM 700 C CD1 . TYR A 0 88 . -11.697 -8.584 17.916 1.00 61.30 88 A 1 ATOM 701 C CD2 . TYR A 0 88 . -11.077 -9.844 19.912 1.00 61.30 88 A 1 ATOM 702 C CE1 . TYR A 0 88 . -12.416 -7.673 18.710 1.00 61.30 88 A 1 ATOM 703 C CE2 . TYR A 0 88 . -11.787 -8.926 20.710 1.00 61.30 88 A 1 ATOM 704 O OH . TYR A 0 88 . -13.161 -6.964 20.872 1.00 61.30 88 A 1 ATOM 705 C CZ . TYR A 0 88 . -12.467 -7.846 20.108 1.00 61.30 88 A 1 ATOM 706 N N . ASN A 0 89 . -10.640 -13.758 18.553 1.00 63.54 89 A 1 ATOM 707 C CA . ASN A 0 89 . -10.901 -14.699 19.626 1.00 63.54 89 A 1 ATOM 708 C C . ASN A 0 89 . -10.748 -14.001 20.989 1.00 63.54 89 A 1 ATOM 709 C CB . ASN A 0 89 . -9.987 -15.924 19.461 1.00 63.54 89 A 1 ATOM 710 O O . ASN A 0 89 . -9.655 -13.557 21.336 1.00 63.54 89 A 1 ATOM 711 C CG . ASN A 0 89 . -10.408 -17.039 20.395 1.00 63.54 89 A 1 ATOM 712 N ND2 . ASN A 0 89 . -9.754 -18.173 20.349 1.00 63.54 89 A 1 ATOM 713 O OD1 . ASN A 0 89 . -11.339 -16.902 21.167 1.00 63.54 89 A 1 ATOM 714 N N . LEU A 0 90 . -11.831 -13.926 21.768 1.00 63.20 90 A 1 ATOM 715 C CA . LEU A 0 90 . -11.832 -13.318 23.105 1.00 63.20 90 A 1 ATOM 716 C C . LEU A 0 90 . -10.921 -14.056 24.103 1.00 63.20 90 A 1 ATOM 717 C CB . LEU A 0 90 . -13.280 -13.260 23.635 1.00 63.20 90 A 1 ATOM 718 O O . LEU A 0 90 . -10.514 -13.462 25.098 1.00 63.20 90 A 1 ATOM 719 C CG . LEU A 0 90 . -14.195 -12.248 22.917 1.00 63.20 90 A 1 ATOM 720 C CD1 . LEU A 0 90 . -15.646 -12.464 23.346 1.00 63.20 90 A 1 ATOM 721 C CD2 . LEU A 0 90 . -13.823 -10.803 23.254 1.00 63.20 90 A 1 ATOM 722 N N . THR A 0 91 . -10.585 -15.325 23.850 1.00 70.50 91 A 1 ATOM 723 C CA . THR A 0 91 . -9.711 -16.139 24.713 1.00 70.50 91 A 1 ATOM 724 C C . THR A 0 91 . -8.249 -16.192 24.272 1.00 70.50 91 A 1 ATOM 725 C CB . THR A 0 91 . -10.264 -17.563 24.897 1.00 70.50 91 A 1 ATOM 726 O O . THR A 0 91 . -7.446 -16.819 24.961 1.00 70.50 91 A 1 ATOM 727 C CG2 . THR A 0 91 . -11.353 -17.607 25.963 1.00 70.50 91 A 1 ATOM 728 O OG1 . THR A 0 91 . -10.846 -18.048 23.714 1.00 70.50 91 A 1 ATOM 729 N N . ALA A 0 92 . -7.865 -15.526 23.176 1.00 61.63 92 A 1 ATOM 730 C CA . ALA A 0 92 . -6.458 -15.390 22.800 1.00 61.63 92 A 1 ATOM 731 C C . ALA A 0 92 . -5.790 -14.332 23.697 1.00 61.63 92 A 1 ATOM 732 C CB . ALA A 0 92 . -6.360 -15.085 21.300 1.00 61.63 92 A 1 ATOM 733 O O . ALA A 0 92 . -5.782 -13.143 23.377 1.00 61.63 92 A 1 ATOM 734 N N . LYS A 0 93 . -5.316 -14.774 24.862 1.00 42.91 93 A 1 ATOM 735 C CA . LYS A 0 93 . -4.534 -13.983 25.816 1.00 42.91 93 A 1 ATOM 736 C C . LYS A 0 93 . -3.046 -14.065 25.500 1.00 42.91 93 A 1 ATOM 737 C CB . LYS A 0 93 . -4.851 -14.457 27.241 1.00 42.91 93 A 1 ATOM 738 O O . LYS A 0 93 . -2.605 -15.163 25.094 1.00 42.91 93 A 1 ATOM 739 C CG . LYS A 0 93 . -4.512 -13.386 28.284 1.00 42.91 93 A 1 ATOM 740 C CD . LYS A 0 93 . -4.814 -13.914 29.689 1.00 42.91 93 A 1 ATOM 741 C CE . LYS A 0 93 . -4.632 -12.796 30.717 1.00 42.91 93 A 1 ATOM 742 N NZ . LYS A 0 93 . -4.891 -13.291 32.091 1.00 42.91 93 A 1 ATOM 743 O OXT . LYS A 0 93 . -2.395 -13.027 25.733 1.00 42.91 93 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 74.63 # loop_ _atom_type.symbol C N O S #