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 GLN 0 3 ASP 0 4 LEU 0 5 THR 0 6 SER 0 7 ARG 0 8 SER 0 9 LYS 0 10 ALA 0 11 VAL 0 12 ASN 0 13 THR 0 14 THR 0 15 PHE 0 16 LYS 0 17 GLU 0 18 VAL 0 19 LYS 0 20 GLN 0 21 VAL 0 22 PRO 0 23 ILE 0 24 GLY 0 25 ILE 0 26 ILE 0 27 TRP 0 28 ASN 0 29 LEU 0 30 GLU 0 31 GLU 0 32 SER 0 33 LYS 0 34 ASP 0 35 ASN 0 36 GLY 0 37 PRO 0 38 ALA 0 39 GLU 0 40 ARG 0 41 HIS 0 42 ALA 0 43 HIS 0 44 ASP 0 45 LEU 0 46 GLN 0 47 LEU 0 48 LEU 0 49 ARG 0 50 SER 0 51 VAL 0 52 ILE 0 53 ARG 0 54 ASN 0 55 GLU 0 56 LEU 0 57 PRO 0 58 GLU 0 59 GLU 0 60 VAL 0 61 SER 0 62 GLY 0 63 VAL 0 64 HIS 0 65 ILE 0 66 MET 0 67 LYS 0 68 VAL 0 69 ILE 0 70 ARG 0 71 LEU 0 72 GLY 0 73 LYS 0 74 TYR 0 75 VAL 0 76 GLY 0 77 GLY 0 78 GLU 0 79 THR 0 80 GLN 0 81 GLN 0 82 ARG 0 83 LYS 0 84 ILE 0 85 LEU 0 86 LYS 0 87 LEU 0 88 VAL 0 89 PHE 0 90 GLY 0 91 TYR 0 92 PHE 0 93 GLU # 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 . 59.860 20.508 7.967 1.00 40.63 1 A 1 ATOM 2 C CA . MET A 0 1 . 58.927 20.840 9.070 1.00 40.63 1 A 1 ATOM 3 C C . MET A 0 1 . 57.512 20.839 8.514 1.00 40.63 1 A 1 ATOM 4 C CB . MET A 0 1 . 59.214 22.226 9.679 1.00 40.63 1 A 1 ATOM 5 O O . MET A 0 1 . 57.375 21.218 7.361 1.00 40.63 1 A 1 ATOM 6 C CG . MET A 0 1 . 60.255 22.223 10.801 1.00 40.63 1 A 1 ATOM 7 S SD . MET A 0 1 . 60.389 23.853 11.580 1.00 40.63 1 A 1 ATOM 8 C CE . MET A 0 1 . 61.697 23.553 12.799 1.00 40.63 1 A 1 ATOM 9 N N . GLN A 0 2 . 56.527 20.499 9.355 1.00 49.69 2 A 1 ATOM 10 C CA . GLN A 0 2 . 55.065 20.485 9.138 1.00 49.69 2 A 1 ATOM 11 C C . GLN A 0 2 . 54.461 19.088 8.909 1.00 49.69 2 A 1 ATOM 12 C CB . GLN A 0 2 . 54.550 21.601 8.209 1.00 49.69 2 A 1 ATOM 13 O O . GLN A 0 2 . 54.108 18.689 7.805 1.00 49.69 2 A 1 ATOM 14 C CG . GLN A 0 2 . 54.991 22.990 8.713 1.00 49.69 2 A 1 ATOM 15 C CD . GLN A 0 2 . 54.574 24.142 7.812 1.00 49.69 2 A 1 ATOM 16 N NE2 . GLN A 0 2 . 55.078 25.332 8.058 1.00 49.69 2 A 1 ATOM 17 O OE1 . GLN A 0 2 . 53.793 24.020 6.888 1.00 49.69 2 A 1 ATOM 18 N N . ASP A 0 3 . 54.360 18.369 10.032 1.00 51.77 3 A 1 ATOM 19 C CA . ASP A 0 3 . 53.243 17.476 10.366 1.00 51.77 3 A 1 ATOM 20 C C . ASP A 0 3 . 51.916 18.241 10.254 1.00 51.77 3 A 1 ATOM 21 C CB . ASP A 0 3 . 53.428 17.052 11.841 1.00 51.77 3 A 1 ATOM 22 O O . ASP A 0 3 . 51.952 19.460 10.408 1.00 51.77 3 A 1 ATOM 23 C CG . ASP A 0 3 . 53.368 15.544 12.012 1.00 51.77 3 A 1 ATOM 24 O OD1 . ASP A 0 3 . 52.266 14.999 11.775 1.00 51.77 3 A 1 ATOM 25 O OD2 . ASP A 0 3 . 54.425 14.975 12.356 1.00 51.77 3 A 1 ATOM 26 N N . LEU A 0 4 . 50.787 17.551 10.043 1.00 55.32 4 A 1 ATOM 27 C CA . LEU A 0 4 . 49.467 17.912 10.592 1.00 55.32 4 A 1 ATOM 28 C C . LEU A 0 4 . 48.384 16.898 10.155 1.00 55.32 4 A 1 ATOM 29 C CB . LEU A 0 4 . 49.055 19.377 10.296 1.00 55.32 4 A 1 ATOM 30 O O . LEU A 0 4 . 47.815 16.948 9.066 1.00 55.32 4 A 1 ATOM 31 C CG . LEU A 0 4 . 49.448 20.378 11.421 1.00 55.32 4 A 1 ATOM 32 C CD1 . LEU A 0 4 . 49.577 21.791 10.847 1.00 55.32 4 A 1 ATOM 33 C CD2 . LEU A 0 4 . 48.470 20.408 12.588 1.00 55.32 4 A 1 ATOM 34 N N . THR A 0 5 . 48.093 16.011 11.110 1.00 57.97 5 A 1 ATOM 35 C CA . THR A 0 5 . 46.747 15.642 11.588 1.00 57.97 5 A 1 ATOM 36 C C . THR A 0 5 . 45.785 14.890 10.656 1.00 57.97 5 A 1 ATOM 37 C CB . THR A 0 5 . 46.053 16.794 12.347 1.00 57.97 5 A 1 ATOM 38 O O . THR A 0 5 . 44.931 15.436 9.958 1.00 57.97 5 A 1 ATOM 39 C CG2 . THR A 0 5 . 46.493 16.825 13.810 1.00 57.97 5 A 1 ATOM 40 O OG1 . THR A 0 5 . 46.370 18.067 11.841 1.00 57.97 5 A 1 ATOM 41 N N . SER A 0 6 . 45.832 13.565 10.837 1.00 49.88 6 A 1 ATOM 42 C CA . SER A 0 6 . 44.763 12.595 10.586 1.00 49.88 6 A 1 ATOM 43 C C . SER A 0 6 . 43.417 13.075 11.151 1.00 49.88 6 A 1 ATOM 44 C CB . SER A 0 6 . 45.171 11.275 11.252 1.00 49.88 6 A 1 ATOM 45 O O . SER A 0 6 . 43.266 13.307 12.350 1.00 49.88 6 A 1 ATOM 46 O OG . SER A 0 6 . 44.383 10.213 10.763 1.00 49.88 6 A 1 ATOM 47 N N . ARG A 0 7 . 42.434 13.256 10.266 1.00 58.88 7 A 1 ATOM 48 C CA . ARG A 0 7 . 41.120 13.832 10.570 1.00 58.88 7 A 1 ATOM 49 C C . ARG A 0 7 . 40.067 12.721 10.573 1.00 58.88 7 A 1 ATOM 50 C CB . ARG A 0 7 . 40.882 14.979 9.569 1.00 58.88 7 A 1 ATOM 51 O O . ARG A 0 7 . 39.454 12.429 9.549 1.00 58.88 7 A 1 ATOM 52 C CG . ARG A 0 7 . 39.799 15.978 9.990 1.00 58.88 7 A 1 ATOM 53 C CD . ARG A 0 7 . 39.719 17.112 8.955 1.00 58.88 7 A 1 ATOM 54 N NE . ARG A 0 7 . 38.554 17.987 9.190 1.00 58.88 7 A 1 ATOM 55 N NH1 . ARG A 0 7 . 38.606 19.110 7.185 1.00 58.88 7 A 1 ATOM 56 N NH2 . ARG A 0 7 . 37.007 19.578 8.671 1.00 58.88 7 A 1 ATOM 57 C CZ . ARG A 0 7 . 38.064 18.884 8.351 1.00 58.88 7 A 1 ATOM 58 N N . SER A 0 8 . 39.857 12.093 11.728 1.00 52.33 8 A 1 ATOM 59 C CA . SER A 0 8 . 38.750 11.161 11.978 1.00 52.33 8 A 1 ATOM 60 C C . SER A 0 8 . 37.403 11.888 11.869 1.00 52.33 8 A 1 ATOM 61 C CB . SER A 0 8 . 38.923 10.521 13.365 1.00 52.33 8 A 1 ATOM 62 O O . SER A 0 8 . 37.134 12.822 12.624 1.00 52.33 8 A 1 ATOM 63 O OG . SER A 0 8 . 39.294 11.497 14.320 1.00 52.33 8 A 1 ATOM 64 N N . LYS A 0 9 . 36.550 11.481 10.921 1.00 57.48 9 A 1 ATOM 65 C CA . LYS A 0 9 . 35.169 11.974 10.789 1.00 57.48 9 A 1 ATOM 66 C C . LYS A 0 9 . 34.236 11.109 11.641 1.00 57.48 9 A 1 ATOM 67 C CB . LYS A 0 9 . 34.725 11.975 9.313 1.00 57.48 9 A 1 ATOM 68 O O . LYS A 0 9 . 34.067 9.930 11.347 1.00 57.48 9 A 1 ATOM 69 C CG . LYS A 0 9 . 35.430 13.040 8.458 1.00 57.48 9 A 1 ATOM 70 C CD . LYS A 0 9 . 34.892 13.012 7.018 1.00 57.48 9 A 1 ATOM 71 C CE . LYS A 0 9 . 35.576 14.073 6.147 1.00 57.48 9 A 1 ATOM 72 N NZ . LYS A 0 9 . 35.080 14.027 4.746 1.00 57.48 9 A 1 ATOM 73 N N . ALA A 0 10 . 33.622 11.697 12.665 1.00 60.90 10 A 1 ATOM 74 C CA . ALA A 0 10 . 32.494 11.101 13.376 1.00 60.90 10 A 1 ATOM 75 C C . ALA A 0 10 . 31.234 11.156 12.491 1.00 60.90 10 A 1 ATOM 76 C CB . ALA A 0 10 . 32.302 11.843 14.706 1.00 60.90 10 A 1 ATOM 77 O O . ALA A 0 10 . 30.949 12.194 11.889 1.00 60.90 10 A 1 ATOM 78 N N . VAL A 0 11 . 30.492 10.047 12.395 1.00 65.81 11 A 1 ATOM 79 C CA . VAL A 0 11 . 29.193 9.988 11.709 1.00 65.81 11 A 1 ATOM 80 C C . VAL A 0 11 . 28.096 10.239 12.748 1.00 65.81 11 A 1 ATOM 81 C CB . VAL A 0 11 . 29.044 8.675 10.887 1.00 65.81 11 A 1 ATOM 82 O O . VAL A 0 11 . 27.926 9.467 13.689 1.00 65.81 11 A 1 ATOM 83 C CG1 . VAL A 0 11 . 28.166 7.574 11.497 1.00 65.81 11 A 1 ATOM 84 C CG2 . VAL A 0 11 . 28.502 8.978 9.486 1.00 65.81 11 A 1 ATOM 85 N N . ASN A 0 12 . 27.368 11.345 12.610 1.00 60.51 12 A 1 ATOM 86 C CA . ASN A 0 12 . 26.194 11.615 13.437 1.00 60.51 12 A 1 ATOM 87 C C . ASN A 0 12 . 24.987 10.921 12.799 1.00 60.51 12 A 1 ATOM 88 C CB . ASN A 0 12 . 25.997 13.134 13.600 1.00 60.51 12 A 1 ATOM 89 O O . ASN A 0 12 . 24.519 11.333 11.739 1.00 60.51 12 A 1 ATOM 90 C CG . ASN A 0 12 . 27.001 13.772 14.547 1.00 60.51 12 A 1 ATOM 91 N ND2 . ASN A 0 12 . 27.161 15.073 14.491 1.00 60.51 12 A 1 ATOM 92 O OD1 . ASN A 0 12 . 27.639 13.132 15.360 1.00 60.51 12 A 1 ATOM 93 N N . THR A 0 13 . 24.491 9.861 13.435 1.00 55.91 13 A 1 ATOM 94 C CA . THR A 0 13 . 23.250 9.189 13.030 1.00 55.91 13 A 1 ATOM 95 C C . THR A 0 13 . 22.080 9.886 13.718 1.00 55.91 13 A 1 ATOM 96 C CB . THR A 0 13 . 23.286 7.687 13.362 1.00 55.91 13 A 1 ATOM 97 O O . THR A 0 13 . 21.818 9.652 14.894 1.00 55.91 13 A 1 ATOM 98 C CG2 . THR A 0 13 . 22.079 6.941 12.791 1.00 55.91 13 A 1 ATOM 99 O OG1 . THR A 0 13 . 24.432 7.104 12.782 1.00 55.91 13 A 1 ATOM 100 N N . THR A 0 14 . 21.389 10.781 13.013 1.00 57.51 14 A 1 ATOM 101 C CA . THR A 0 14 . 20.143 11.387 13.506 1.00 57.51 14 A 1 ATOM 102 C C . THR A 0 14 . 18.966 10.491 13.122 1.00 57.51 14 A 1 ATOM 103 C CB . THR A 0 14 . 19.939 12.810 12.953 1.00 57.51 14 A 1 ATOM 104 O O . THR A 0 14 . 18.642 10.368 11.940 1.00 57.51 14 A 1 ATOM 105 C CG2 . THR A 0 14 . 18.923 13.602 13.775 1.00 57.51 14 A 1 ATOM 106 O OG1 . THR A 0 14 . 21.139 13.549 12.980 1.00 57.51 14 A 1 ATOM 107 N N . PHE A 0 15 . 18.304 9.875 14.103 1.00 63.66 15 A 1 ATOM 108 C CA . PHE A 0 15 . 17.015 9.215 13.889 1.00 63.66 15 A 1 ATOM 109 C C . PHE A 0 15 . 15.948 10.297 13.688 1.00 63.66 15 A 1 ATOM 110 C CB . PHE A 0 15 . 16.681 8.291 15.071 1.00 63.66 15 A 1 ATOM 111 O O . PHE A 0 15 . 15.604 11.017 14.620 1.00 63.66 15 A 1 ATOM 112 C CG . PHE A 0 15 . 17.611 7.099 15.203 1.00 63.66 15 A 1 ATOM 113 C CD1 . PHE A 0 15 . 17.381 5.937 14.441 1.00 63.66 15 A 1 ATOM 114 C CD2 . PHE A 0 15 . 18.713 7.151 16.079 1.00 63.66 15 A 1 ATOM 115 C CE1 . PHE A 0 15 . 18.249 4.836 14.552 1.00 63.66 15 A 1 ATOM 116 C CE2 . PHE A 0 15 . 19.581 6.050 16.187 1.00 63.66 15 A 1 ATOM 117 C CZ . PHE A 0 15 . 19.350 4.893 15.424 1.00 63.66 15 A 1 ATOM 118 N N . LYS A 0 16 . 15.459 10.464 12.457 1.00 62.15 16 A 1 ATOM 119 C CA . LYS A 0 16 . 14.294 11.316 12.193 1.00 62.15 16 A 1 ATOM 120 C C . LYS A 0 16 . 13.040 10.543 12.593 1.00 62.15 16 A 1 ATOM 121 C CB . LYS A 0 16 . 14.243 11.749 10.719 1.00 62.15 16 A 1 ATOM 122 O O . LYS A 0 16 . 12.823 9.447 12.082 1.00 62.15 16 A 1 ATOM 123 C CG . LYS A 0 16 . 15.390 12.703 10.347 1.00 62.15 16 A 1 ATOM 124 C CD . LYS A 0 16 . 15.251 13.184 8.896 1.00 62.15 16 A 1 ATOM 125 C CE . LYS A 0 16 . 16.392 14.146 8.550 1.00 62.15 16 A 1 ATOM 126 N NZ . LYS A 0 16 . 16.258 14.684 7.173 1.00 62.15 16 A 1 ATOM 127 N N . GLU A 0 17 . 12.220 11.112 13.471 1.00 65.51 17 A 1 ATOM 128 C CA . GLU A 0 17 . 10.888 10.581 13.764 1.00 65.51 17 A 1 ATOM 129 C C . GLU A 0 17 . 10.057 10.560 12.473 1.00 65.51 17 A 1 ATOM 130 C CB . GLU A 0 17 . 10.190 11.425 14.837 1.00 65.51 17 A 1 ATOM 131 O O . GLU A 0 17 . 9.795 11.595 11.855 1.00 65.51 17 A 1 ATOM 132 C CG . GLU A 0 17 . 10.867 11.307 16.212 1.00 65.51 17 A 1 ATOM 133 C CD . GLU A 0 17 . 10.153 12.127 17.299 1.00 65.51 17 A 1 ATOM 134 O OE1 . GLU A 0 17 . 10.592 12.016 18.463 1.00 65.51 17 A 1 ATOM 135 O OE2 . GLU A 0 17 . 9.199 12.862 16.952 1.00 65.51 17 A 1 ATOM 136 N N . VAL A 0 18 . 9.676 9.366 12.019 1.00 68.68 18 A 1 ATOM 137 C CA . VAL A 0 18 . 8.824 9.207 10.838 1.00 68.68 18 A 1 ATOM 138 C C . VAL A 0 18 . 7.375 9.327 11.296 1.00 68.68 18 A 1 ATOM 139 C CB . VAL A 0 18 . 9.100 7.878 10.106 1.00 68.68 18 A 1 ATOM 140 O O . VAL A 0 18 . 6.838 8.400 11.898 1.00 68.68 18 A 1 ATOM 141 C CG1 . VAL A 0 18 . 8.245 7.762 8.836 1.00 68.68 18 A 1 ATOM 142 C CG2 . VAL A 0 18 . 10.572 7.765 9.684 1.00 68.68 18 A 1 ATOM 143 N N . LYS A 0 19 . 6.729 10.463 11.010 1.00 71.60 19 A 1 ATOM 144 C CA . LYS A 0 19 . 5.287 10.630 11.249 1.00 71.60 19 A 1 ATOM 145 C C . LYS A 0 19 . 4.510 9.579 10.444 1.00 71.60 19 A 1 ATOM 146 C CB . LYS A 0 19 . 4.821 12.060 10.914 1.00 71.60 19 A 1 ATOM 147 O O . LYS A 0 19 . 4.628 9.514 9.218 1.00 71.60 19 A 1 ATOM 148 C CG . LYS A 0 19 . 5.381 13.122 11.880 1.00 71.60 19 A 1 ATOM 149 C CD . LYS A 0 19 . 4.746 14.500 11.618 1.00 71.60 19 A 1 ATOM 150 C CE . LYS A 0 19 . 5.257 15.553 12.615 1.00 71.60 19 A 1 ATOM 151 N NZ . LYS A 0 19 . 4.550 16.856 12.464 1.00 71.60 19 A 1 ATOM 152 N N . GLN A 0 20 . 3.738 8.739 11.132 1.00 80.02 20 A 1 ATOM 153 C CA . GLN A 0 20 . 2.948 7.673 10.512 1.00 80.02 20 A 1 ATOM 154 C C . GLN A 0 20 . 1.659 8.222 9.907 1.00 80.02 20 A 1 ATOM 155 C CB . GLN A 0 20 . 2.593 6.595 11.542 1.00 80.02 20 A 1 ATOM 156 O O . GLN A 0 20 . 0.681 8.416 10.620 1.00 80.02 20 A 1 ATOM 157 C CG . GLN A 0 20 . 3.784 5.739 11.975 1.00 80.02 20 A 1 ATOM 158 C CD . GLN A 0 20 . 3.306 4.575 12.837 1.00 80.02 20 A 1 ATOM 159 N NE2 . GLN A 0 20 . 3.764 3.367 12.593 1.00 80.02 20 A 1 ATOM 160 O OE1 . GLN A 0 20 . 2.495 4.716 13.732 1.00 80.02 20 A 1 ATOM 161 N N . VAL A 0 21 . 1.642 8.425 8.592 1.00 84.65 21 A 1 ATOM 162 C CA . VAL A 0 21 . 0.469 8.954 7.882 1.00 84.65 21 A 1 ATOM 163 C C . VAL A 0 21 . -0.720 7.979 7.975 1.00 84.65 21 A 1 ATOM 164 C CB . VAL A 0 21 . 0.810 9.260 6.412 1.00 84.65 21 A 1 ATOM 165 O O . VAL A 0 21 . -0.517 6.784 7.729 1.00 84.65 21 A 1 ATOM 166 C CG1 . VAL A 0 21 . -0.324 10.013 5.721 1.00 84.65 21 A 1 ATOM 167 C CG2 . VAL A 0 21 . 2.064 10.141 6.288 1.00 84.65 21 A 1 ATOM 168 N N . PRO A 0 22 . -1.946 8.446 8.285 1.00 89.67 22 A 1 ATOM 169 C CA . PRO A 0 22 . -3.139 7.603 8.306 1.00 89.67 22 A 1 ATOM 170 C C . PRO A 0 22 . -3.414 6.983 6.932 1.00 89.67 22 A 1 ATOM 171 C CB . PRO A 0 22 . -4.287 8.498 8.791 1.00 89.67 22 A 1 ATOM 172 O O . PRO A 0 22 . -3.344 7.650 5.895 1.00 89.67 22 A 1 ATOM 173 C CG . PRO A 0 22 . -3.797 9.922 8.524 1.00 89.67 22 A 1 ATOM 174 C CD . PRO A 0 22 . -2.290 9.803 8.681 1.00 89.67 22 A 1 ATOM 175 N N . ILE A 0 23 . -3.738 5.688 6.922 1.00 92.48 23 A 1 ATOM 176 C CA . ILE A 0 23 . -4.026 4.934 5.698 1.00 92.48 23 A 1 ATOM 177 C C . ILE A 0 23 . -5.360 4.201 5.797 1.00 92.48 23 A 1 ATOM 178 C CB . ILE A 0 23 . -2.876 3.980 5.296 1.00 92.48 23 A 1 ATOM 179 O O . ILE A 0 23 . -5.734 3.707 6.856 1.00 92.48 23 A 1 ATOM 180 C CG1 . ILE A 0 23 . -2.630 2.855 6.329 1.00 92.48 23 A 1 ATOM 181 C CG2 . ILE A 0 23 . -1.595 4.791 5.029 1.00 92.48 23 A 1 ATOM 182 C CD1 . ILE A 0 23 . -1.674 1.761 5.837 1.00 92.48 23 A 1 ATOM 183 N N . GLY A 0 24 . -6.049 4.105 4.665 1.00 92.31 24 A 1 ATOM 184 C CA . GLY A 0 24 . -7.255 3.303 4.481 1.00 92.31 24 A 1 ATOM 185 C C . GLY A 0 24 . -6.995 2.202 3.470 1.00 92.31 24 A 1 ATOM 186 O O . GLY A 0 24 . -6.148 2.345 2.586 1.00 92.31 24 A 1 ATOM 187 N N . ILE A 0 25 . -7.703 1.090 3.607 1.00 94.03 25 A 1 ATOM 188 C CA . ILE A 0 25 . -7.511 -0.087 2.770 1.00 94.03 25 A 1 ATOM 189 C C . ILE A 0 25 . -8.880 -0.588 2.322 1.00 94.03 25 A 1 ATOM 190 C CB . ILE A 0 25 . -6.705 -1.142 3.558 1.00 94.03 25 A 1 ATOM 191 O O . ILE A 0 25 . -9.737 -0.862 3.155 1.00 94.03 25 A 1 ATOM 192 C CG1 . ILE A 0 25 . -5.246 -0.720 3.858 1.00 94.03 25 A 1 ATOM 193 C CG2 . ILE A 0 25 . -6.710 -2.468 2.812 1.00 94.03 25 A 1 ATOM 194 C CD1 . ILE A 0 25 . -4.322 -0.564 2.640 1.00 94.03 25 A 1 ATOM 195 N N . ILE A 0 26 . -9.067 -0.718 1.010 1.00 92.93 26 A 1 ATOM 196 C CA . ILE A 0 26 . -10.274 -1.288 0.410 1.00 92.93 26 A 1 ATOM 197 C C . ILE A 0 26 . -9.875 -2.548 -0.353 1.00 92.93 26 A 1 ATOM 198 C CB . ILE A 0 26 . -11.025 -0.263 -0.469 1.00 92.93 26 A 1 ATOM 199 O O . ILE A 0 26 . -8.970 -2.534 -1.196 1.00 92.93 26 A 1 ATOM 200 C CG1 . ILE A 0 26 . -11.356 1.020 0.331 1.00 92.93 26 A 1 ATOM 201 C CG2 . ILE A 0 26 . -12.310 -0.897 -1.037 1.00 92.93 26 A 1 ATOM 202 C CD1 . ILE A 0 26 . -12.022 2.124 -0.500 1.00 92.93 26 A 1 ATOM 203 N N . TRP A 0 27 . -10.541 -3.653 -0.035 1.00 92.20 27 A 1 ATOM 204 C CA . TRP A 0 27 . -10.344 -4.945 -0.687 1.00 92.20 27 A 1 ATOM 205 C C . TRP A 0 27 . -11.459 -5.232 -1.679 1.00 92.20 27 A 1 ATOM 206 C CB . TRP A 0 27 . -10.240 -6.053 0.365 1.00 92.20 27 A 1 ATOM 207 O O . TRP A 0 27 . -12.551 -4.681 -1.584 1.00 92.20 27 A 1 ATOM 208 C CG . TRP A 0 27 . -9.073 -5.959 1.295 1.00 92.20 27 A 1 ATOM 209 C CD1 . TRP A 0 27 . -7.984 -5.178 1.129 1.00 92.20 27 A 1 ATOM 210 C CD2 . TRP A 0 27 . -8.871 -6.653 2.561 1.00 92.20 27 A 1 ATOM 211 C CE2 . TRP A 0 27 . -7.620 -6.239 3.107 1.00 92.20 27 A 1 ATOM 212 C CE3 . TRP A 0 27 . -9.625 -7.575 3.315 1.00 92.20 27 A 1 ATOM 213 N NE1 . TRP A 0 27 . -7.105 -5.380 2.169 1.00 92.20 27 A 1 ATOM 214 C CH2 . TRP A 0 27 . -7.922 -7.607 5.070 1.00 92.20 27 A 1 ATOM 215 C CZ2 . TRP A 0 27 . -7.142 -6.694 4.342 1.00 92.20 27 A 1 ATOM 216 C CZ3 . TRP A 0 27 . -9.154 -8.048 4.554 1.00 92.20 27 A 1 ATOM 217 N N . ASN A 0 28 . -11.170 -6.126 -2.625 1.00 89.82 28 A 1 ATOM 218 C CA . ASN A 0 28 . -12.142 -6.635 -3.589 1.00 89.82 28 A 1 ATOM 219 C C . ASN A 0 28 . -12.816 -5.554 -4.465 1.00 89.82 28 A 1 ATOM 220 C CB . ASN A 0 28 . -13.133 -7.550 -2.844 1.00 89.82 28 A 1 ATOM 221 O O . ASN A 0 28 . -13.875 -5.798 -5.041 1.00 89.82 28 A 1 ATOM 222 C CG . ASN A 0 28 . -13.884 -8.481 -3.774 1.00 89.82 28 A 1 ATOM 223 N ND2 . ASN A 0 28 . -15.112 -8.813 -3.457 1.00 89.82 28 A 1 ATOM 224 O OD1 . ASN A 0 28 . -13.367 -8.938 -4.780 1.00 89.82 28 A 1 ATOM 225 N N . LEU A 0 29 . -12.198 -4.378 -4.616 1.00 90.77 29 A 1 ATOM 226 C CA . LEU A 0 29 . -12.716 -3.314 -5.473 1.00 90.77 29 A 1 ATOM 227 C C . LEU A 0 29 . -12.410 -3.613 -6.942 1.00 90.77 29 A 1 ATOM 228 C CB . LEU A 0 29 . -12.136 -1.960 -5.036 1.00 90.77 29 A 1 ATOM 229 O O . LEU A 0 29 . -11.256 -3.880 -7.294 1.00 90.77 29 A 1 ATOM 230 C CG . LEU A 0 29 . -12.891 -0.774 -5.659 1.00 90.77 29 A 1 ATOM 231 C CD1 . LEU A 0 29 . -14.274 -0.590 -5.029 1.00 90.77 29 A 1 ATOM 232 C CD2 . LEU A 0 29 . -12.092 0.508 -5.462 1.00 90.77 29 A 1 ATOM 233 N N . GLU A 0 30 . -13.439 -3.562 -7.788 1.00 89.99 30 A 1 ATOM 234 C CA . GLU A 0 30 . -13.328 -3.824 -9.224 1.00 89.99 30 A 1 ATOM 235 C C . GLU A 0 30 . -12.248 -2.947 -9.871 1.00 89.99 30 A 1 ATOM 236 C CB . GLU A 0 30 . -14.706 -3.643 -9.869 1.00 89.99 30 A 1 ATOM 237 O O . GLU A 0 30 . -12.146 -1.755 -9.583 1.00 89.99 30 A 1 ATOM 238 C CG . GLU A 0 30 . -14.711 -4.040 -11.353 1.00 89.99 30 A 1 ATOM 239 C CD . GLU A 0 30 . -16.125 -4.232 -11.921 1.00 89.99 30 A 1 ATOM 240 O OE1 . GLU A 0 30 . -16.207 -4.804 -13.030 1.00 89.99 30 A 1 ATOM 241 O OE2 . GLU A 0 30 . -17.099 -3.923 -11.199 1.00 89.99 30 A 1 ATOM 242 N N . GLU A 0 31 . -11.380 -3.553 -10.684 1.00 90.45 31 A 1 ATOM 243 C CA . GLU A 0 31 . -10.328 -2.825 -11.399 1.00 90.45 31 A 1 ATOM 244 C C . GLU A 0 31 . -10.811 -2.463 -12.795 1.00 90.45 31 A 1 ATOM 245 C CB . GLU A 0 31 . -9.009 -3.606 -11.542 1.00 90.45 31 A 1 ATOM 246 O O . GLU A 0 31 . -11.475 -3.268 -13.448 1.00 90.45 31 A 1 ATOM 247 C CG . GLU A 0 31 . -8.557 -4.416 -10.325 1.00 90.45 31 A 1 ATOM 248 C CD . GLU A 0 31 . -7.054 -4.311 -10.028 1.00 90.45 31 A 1 ATOM 249 O OE1 . GLU A 0 31 . -6.724 -4.441 -8.832 1.00 90.45 31 A 1 ATOM 250 O OE2 . GLU A 0 31 . -6.201 -4.052 -10.909 1.00 90.45 31 A 1 ATOM 251 N N . SER A 0 32 . -10.403 -1.296 -13.289 1.00 91.02 32 A 1 ATOM 252 C CA . SER A 0 32 . -10.613 -0.980 -14.698 1.00 91.02 32 A 1 ATOM 253 C C . SER A 0 32 . -9.767 -1.904 -15.590 1.00 91.02 32 A 1 ATOM 254 C CB . SER A 0 32 . -10.404 0.514 -14.976 1.00 91.02 32 A 1 ATOM 255 O O . SER A 0 32 . -8.613 -2.236 -15.286 1.00 91.02 32 A 1 ATOM 256 O OG . SER A 0 32 . -9.862 0.705 -16.259 1.00 91.02 32 A 1 ATOM 257 N N . LYS A 0 33 . -10.370 -2.299 -16.715 1.00 88.75 33 A 1 ATOM 258 C CA . LYS A 0 33 . -9.744 -3.083 -17.788 1.00 88.75 33 A 1 ATOM 259 C C . LYS A 0 33 . -9.011 -2.198 -18.805 1.00 88.75 33 A 1 ATOM 260 C CB . LYS A 0 33 . -10.800 -3.975 -18.466 1.00 88.75 33 A 1 ATOM 261 O O . LYS A 0 33 . -8.483 -2.718 -19.783 1.00 88.75 33 A 1 ATOM 262 C CG . LYS A 0 33 . -11.463 -4.969 -17.495 1.00 88.75 33 A 1 ATOM 263 C CD . LYS A 0 33 . -12.517 -5.816 -18.218 1.00 88.75 33 A 1 ATOM 264 C CE . LYS A 0 33 . -13.252 -6.728 -17.226 1.00 88.75 33 A 1 ATOM 265 N NZ . LYS A 0 33 . -14.302 -7.527 -17.904 1.00 88.75 33 A 1 ATOM 266 N N . ASP A 0 34 . -8.966 -0.884 -18.581 1.00 90.42 34 A 1 ATOM 267 C CA . ASP A 0 34 . -8.285 0.051 -19.470 1.00 90.42 34 A 1 ATOM 268 C C . ASP A 0 34 . -6.777 -0.206 -19.487 1.00 90.42 34 A 1 ATOM 269 C CB . ASP A 0 34 . -8.568 1.515 -19.099 1.00 90.42 34 A 1 ATOM 270 O O . ASP A 0 34 . -6.139 -0.483 -18.466 1.00 90.42 34 A 1 ATOM 271 C CG . ASP A 0 34 . -10.044 1.868 -19.256 1.00 90.42 34 A 1 ATOM 272 O OD1 . ASP A 0 34 . -10.525 1.747 -20.401 1.00 90.42 34 A 1 ATOM 273 O OD2 . ASP A 0 34 . -10.668 2.207 -18.222 1.00 90.42 34 A 1 ATOM 274 N N . ASN A 0 35 . -6.181 -0.067 -20.667 1.00 86.35 35 A 1 ATOM 275 C CA . ASN A 0 35 . -4.744 -0.270 -20.845 1.00 86.35 35 A 1 ATOM 276 C C . ASN A 0 35 . -3.931 0.864 -20.200 1.00 86.35 35 A 1 ATOM 277 C CB . ASN A 0 35 . -4.467 -0.399 -22.352 1.00 86.35 35 A 1 ATOM 278 O O . ASN A 0 35 . -2.856 0.644 -19.625 1.00 86.35 35 A 1 ATOM 279 C CG . ASN A 0 35 . -5.058 -1.674 -22.930 1.00 86.35 35 A 1 ATOM 280 N ND2 . ASN A 0 35 . -5.620 -1.624 -24.114 1.00 86.35 35 A 1 ATOM 281 O OD1 . ASN A 0 35 . -5.003 -2.733 -22.335 1.00 86.35 35 A 1 ATOM 282 N N . GLY A 0 36 . -4.449 2.091 -20.263 1.00 91.25 36 A 1 ATOM 283 C CA . GLY A 0 36 . -3.751 3.268 -19.774 1.00 91.25 36 A 1 ATOM 284 C C . GLY A 0 36 . -3.795 3.387 -18.240 1.00 91.25 36 A 1 ATOM 285 O O . GLY A 0 36 . -4.793 3.047 -17.596 1.00 91.25 36 A 1 ATOM 286 N N . PRO A 0 37 . -2.681 3.771 -17.590 1.00 92.22 37 A 1 ATOM 287 C CA . PRO A 0 37 . -2.636 3.924 -16.136 1.00 92.22 37 A 1 ATOM 288 C C . PRO A 0 37 . -3.465 5.115 -15.633 1.00 92.22 37 A 1 ATOM 289 C CB . PRO A 0 37 . -1.149 4.076 -15.799 1.00 92.22 37 A 1 ATOM 290 O O . PRO A 0 37 . -3.940 5.072 -14.500 1.00 92.22 37 A 1 ATOM 291 C CG . PRO A 0 37 . -0.543 4.669 -17.072 1.00 92.22 37 A 1 ATOM 292 C CD . PRO A 0 37 . -1.380 4.044 -18.183 1.00 92.22 37 A 1 ATOM 293 N N . ALA A 0 38 . -3.650 6.157 -16.450 1.00 95.10 38 A 1 ATOM 294 C CA . ALA A 0 38 . -4.406 7.349 -16.075 1.00 95.10 38 A 1 ATOM 295 C C . ALA A 0 38 . -5.913 7.061 -16.002 1.00 95.10 38 A 1 ATOM 296 C CB . ALA A 0 38 . -4.089 8.457 -17.087 1.00 95.10 38 A 1 ATOM 297 O O . ALA A 0 38 . -6.568 7.436 -15.034 1.00 95.10 38 A 1 ATOM 298 N N . GLU A 0 39 . -6.436 6.324 -16.978 1.00 94.36 39 A 1 ATOM 299 C CA . GLU A 0 39 . -7.828 5.890 -17.088 1.00 94.36 39 A 1 ATOM 300 C C . GLU A 0 39 . -8.184 4.959 -15.927 1.00 94.36 39 A 1 ATOM 301 C CB . GLU A 0 39 . -8.044 5.173 -18.436 1.00 94.36 39 A 1 ATOM 302 O O . GLU A 0 39 . -9.170 5.176 -15.224 1.00 94.36 39 A 1 ATOM 303 C CG . GLU A 0 39 . -7.852 6.055 -19.686 1.00 94.36 39 A 1 ATOM 304 C CD . GLU A 0 39 . -6.392 6.411 -20.035 1.00 94.36 39 A 1 ATOM 305 O OE1 . GLU A 0 39 . -6.197 7.289 -20.898 1.00 94.36 39 A 1 ATOM 306 O OE2 . GLU A 0 39 . -5.449 5.840 -19.429 1.00 94.36 39 A 1 ATOM 307 N N . ARG A 0 40 . -7.303 3.995 -15.628 1.00 93.20 40 A 1 ATOM 308 C CA . ARG A 0 40 . -7.445 3.124 -14.452 1.00 93.20 40 A 1 ATOM 309 C C . ARG A 0 40 . -7.457 3.900 -13.142 1.00 93.20 40 A 1 ATOM 310 C CB . ARG A 0 40 . -6.323 2.086 -14.434 1.00 93.20 40 A 1 ATOM 311 O O . ARG A 0 40 . -8.260 3.604 -12.261 1.00 93.20 40 A 1 ATOM 312 C CG . ARG A 0 40 . -6.580 0.997 -15.477 1.00 93.20 40 A 1 ATOM 313 C CD . ARG A 0 40 . -5.466 -0.037 -15.451 1.00 93.20 40 A 1 ATOM 314 N NE . ARG A 0 40 . -4.243 0.501 -16.068 1.00 93.20 40 A 1 ATOM 315 N NH1 . ARG A 0 40 . -2.820 -0.971 -15.125 1.00 93.20 40 A 1 ATOM 316 N NH2 . ARG A 0 40 . -2.065 0.345 -16.740 1.00 93.20 40 A 1 ATOM 317 C CZ . ARG A 0 40 . -3.046 -0.023 -15.972 1.00 93.20 40 A 1 ATOM 318 N N . HIS A 0 41 . -6.585 4.897 -13.008 1.00 94.76 41 A 1 ATOM 319 C CA . HIS A 0 41 . -6.561 5.741 -11.819 1.00 94.76 41 A 1 ATOM 320 C C . HIS A 0 41 . -7.835 6.589 -11.695 1.00 94.76 41 A 1 ATOM 321 C CB . HIS A 0 41 . -5.303 6.613 -11.840 1.00 94.76 41 A 1 ATOM 322 O O . HIS A 0 41 . -8.401 6.687 -10.609 1.00 94.76 41 A 1 ATOM 323 C CG . HIS A 0 41 . -5.138 7.399 -10.569 1.00 94.76 41 A 1 ATOM 324 C CD2 . HIS A 0 41 . -5.235 8.756 -10.418 1.00 94.76 41 A 1 ATOM 325 N ND1 . HIS A 0 41 . -4.900 6.867 -9.323 1.00 94.76 41 A 1 ATOM 326 C CE1 . HIS A 0 41 . -4.839 7.881 -8.447 1.00 94.76 41 A 1 ATOM 327 N NE2 . HIS A 0 41 . -5.030 9.054 -9.066 1.00 94.76 41 A 1 ATOM 328 N N . ALA A 0 42 . -8.328 7.157 -12.798 1.00 95.76 42 A 1 ATOM 329 C CA . ALA A 0 42 . -9.581 7.906 -12.821 1.00 95.76 42 A 1 ATOM 330 C C . ALA A 0 42 . -10.782 7.028 -12.428 1.00 95.76 42 A 1 ATOM 331 C CB . ALA A 0 42 . -9.756 8.521 -14.214 1.00 95.76 42 A 1 ATOM 332 O O . ALA A 0 42 . -11.624 7.459 -11.638 1.00 95.76 42 A 1 ATOM 333 N N . HIS A 0 43 . -10.817 5.782 -12.905 1.00 95.07 43 A 1 ATOM 334 C CA . HIS A 0 43 . -11.813 4.791 -12.507 1.00 95.07 43 A 1 ATOM 335 C C . HIS A 0 43 . -11.760 4.488 -11.001 1.00 95.07 43 A 1 ATOM 336 C CB . HIS A 0 43 . -11.586 3.530 -13.342 1.00 95.07 43 A 1 ATOM 337 O O . HIS A 0 43 . -12.793 4.503 -10.332 1.00 95.07 43 A 1 ATOM 338 C CG . HIS A 0 43 . -12.515 2.408 -12.977 1.00 95.07 43 A 1 ATOM 339 C CD2 . HIS A 0 43 . -13.745 2.166 -13.523 1.00 95.07 43 A 1 ATOM 340 N ND1 . HIS A 0 43 . -12.252 1.395 -12.083 1.00 95.07 43 A 1 ATOM 341 C CE1 . HIS A 0 43 . -13.285 0.538 -12.123 1.00 95.07 43 A 1 ATOM 342 N NE2 . HIS A 0 43 . -14.225 0.977 -12.972 1.00 95.07 43 A 1 ATOM 343 N N . ASP A 0 44 . -10.564 4.290 -10.435 1.00 95.28 44 A 1 ATOM 344 C CA . ASP A 0 44 . -10.401 4.086 -8.989 1.00 95.28 44 A 1 ATOM 345 C C . ASP A 0 44 . -10.922 5.285 -8.179 1.00 95.28 44 A 1 ATOM 346 C CB . ASP A 0 44 . -8.925 3.818 -8.642 1.00 95.28 44 A 1 ATOM 347 O O . ASP A 0 44 . -11.593 5.099 -7.164 1.00 95.28 44 A 1 ATOM 348 C CG . ASP A 0 44 . -8.411 2.435 -9.058 1.00 95.28 44 A 1 ATOM 349 O OD1 . ASP A 0 44 . -9.225 1.512 -9.293 1.00 95.28 44 A 1 ATOM 350 O OD2 . ASP A 0 44 . -7.176 2.223 -9.031 1.00 95.28 44 A 1 ATOM 351 N N . LEU A 0 45 . -10.666 6.518 -8.635 1.00 94.62 45 A 1 ATOM 352 C CA . LEU A 0 45 . -11.193 7.730 -7.997 1.00 94.62 45 A 1 ATOM 353 C C . LEU A 0 45 . -12.722 7.809 -8.070 1.00 94.62 45 A 1 ATOM 354 C CB . LEU A 0 45 . -10.581 8.983 -8.648 1.00 94.62 45 A 1 ATOM 355 O O . LEU A 0 45 . -13.360 8.246 -7.112 1.00 94.62 45 A 1 ATOM 356 C CG . LEU A 0 45 . -9.077 9.189 -8.405 1.00 94.62 45 A 1 ATOM 357 C CD1 . LEU A 0 45 . -8.607 10.409 -9.198 1.00 94.62 45 A 1 ATOM 358 C CD2 . LEU A 0 45 . -8.762 9.422 -6.928 1.00 94.62 45 A 1 ATOM 359 N N . GLN A 0 46 . -13.319 7.402 -9.190 1.00 94.23 46 A 1 ATOM 360 C CA . GLN A 0 46 . -14.771 7.371 -9.345 1.00 94.23 46 A 1 ATOM 361 C C . GLN A 0 46 . -15.409 6.353 -8.396 1.00 94.23 46 A 1 ATOM 362 C CB . GLN A 0 46 . -15.119 7.085 -10.809 1.00 94.23 46 A 1 ATOM 363 O O . GLN A 0 46 . -16.326 6.710 -7.657 1.00 94.23 46 A 1 ATOM 364 C CG . GLN A 0 46 . -16.636 7.086 -11.049 1.00 94.23 46 A 1 ATOM 365 C CD . GLN A 0 46 . -16.997 6.860 -12.512 1.00 94.23 46 A 1 ATOM 366 N NE2 . GLN A 0 46 . -18.267 6.785 -12.838 1.00 94.23 46 A 1 ATOM 367 O OE1 . GLN A 0 46 . -16.160 6.765 -13.391 1.00 94.23 46 A 1 ATOM 368 N N . LEU A 0 47 . -14.891 5.123 -8.362 1.00 93.23 47 A 1 ATOM 369 C CA . LEU A 0 47 . -15.370 4.092 -7.443 1.00 93.23 47 A 1 ATOM 370 C C . LEU A 0 47 . -15.216 4.518 -5.986 1.00 93.23 47 A 1 ATOM 371 C CB . LEU A 0 47 . -14.595 2.789 -7.676 1.00 93.23 47 A 1 ATOM 372 O O . LEU A 0 47 . -16.141 4.354 -5.196 1.00 93.23 47 A 1 ATOM 373 C CG . LEU A 0 47 . -14.973 2.020 -8.950 1.00 93.23 47 A 1 ATOM 374 C CD1 . LEU A 0 47 . -14.152 0.735 -8.973 1.00 93.23 47 A 1 ATOM 375 C CD2 . LEU A 0 47 . -16.448 1.614 -8.969 1.00 93.23 47 A 1 ATOM 376 N N . LEU A 0 48 . -14.078 5.113 -5.633 1.00 92.75 48 A 1 ATOM 377 C CA . LEU A 0 48 . -13.838 5.612 -4.286 1.00 92.75 48 A 1 ATOM 378 C C . LEU A 0 48 . -14.865 6.675 -3.875 1.00 92.75 48 A 1 ATOM 379 C CB . LEU A 0 48 . -12.407 6.153 -4.233 1.00 92.75 48 A 1 ATOM 380 O O . LEU A 0 48 . -15.372 6.618 -2.759 1.00 92.75 48 A 1 ATOM 381 C CG . LEU A 0 48 . -12.016 6.740 -2.873 1.00 92.75 48 A 1 ATOM 382 C CD1 . LEU A 0 48 . -12.070 5.698 -1.756 1.00 92.75 48 A 1 ATOM 383 C CD2 . LEU A 0 48 . -10.598 7.283 -3.002 1.00 92.75 48 A 1 ATOM 384 N N . ARG A 0 49 . -15.212 7.614 -4.765 1.00 89.15 49 A 1 ATOM 385 C CA . ARG A 0 49 . -16.271 8.606 -4.500 1.00 89.15 49 A 1 ATOM 386 C C . ARG A 0 49 . -17.622 7.940 -4.256 1.00 89.15 49 A 1 ATOM 387 C CB . ARG A 0 49 . -16.397 9.590 -5.667 1.00 89.15 49 A 1 ATOM 388 O O . ARG A 0 49 . -18.335 8.357 -3.350 1.00 89.15 49 A 1 ATOM 389 C CG . ARG A 0 49 . -15.255 10.608 -5.712 1.00 89.15 49 A 1 ATOM 390 C CD . ARG A 0 49 . -15.376 11.406 -7.012 1.00 89.15 49 A 1 ATOM 391 N NE . ARG A 0 49 . -14.253 12.344 -7.184 1.00 89.15 49 A 1 ATOM 392 N NH1 . ARG A 0 49 . -14.089 12.206 -9.475 1.00 89.15 49 A 1 ATOM 393 N NH2 . ARG A 0 49 . -12.688 13.520 -8.344 1.00 89.15 49 A 1 ATOM 394 C CZ . ARG A 0 49 . -13.686 12.682 -8.329 1.00 89.15 49 A 1 ATOM 395 N N . SER A 0 50 . -17.961 6.914 -5.035 1.00 89.86 50 A 1 ATOM 396 C CA . SER A 0 50 . -19.192 6.143 -4.838 1.00 89.86 50 A 1 ATOM 397 C C . SER A 0 50 . -19.201 5.410 -3.497 1.00 89.86 50 A 1 ATOM 398 C CB . SER A 0 50 . -19.382 5.144 -5.981 1.00 89.86 50 A 1 ATOM 399 O O . SER A 0 50 . -20.191 5.493 -2.782 1.00 89.86 50 A 1 ATOM 400 O OG . SER A 0 50 . -19.590 5.837 -7.198 1.00 89.86 50 A 1 ATOM 401 N N . VAL A 0 51 . -18.097 4.754 -3.124 1.00 89.43 51 A 1 ATOM 402 C CA . VAL A 0 51 . -17.959 4.076 -1.824 1.00 89.43 51 A 1 ATOM 403 C C . VAL A 0 51 . -18.096 5.077 -0.681 1.00 89.43 51 A 1 ATOM 404 C CB . VAL A 0 51 . -16.619 3.316 -1.735 1.00 89.43 51 A 1 ATOM 405 O O . VAL A 0 51 . -18.896 4.869 0.218 1.00 89.43 51 A 1 ATOM 406 C CG1 . VAL A 0 51 . -16.342 2.761 -0.332 1.00 89.43 51 A 1 ATOM 407 C CG2 . VAL A 0 51 . -16.600 2.125 -2.703 1.00 89.43 51 A 1 ATOM 408 N N . ILE A 0 52 . -17.378 6.200 -0.735 1.00 86.96 52 A 1 ATOM 409 C CA . ILE A 0 52 . -17.445 7.235 0.304 1.00 86.96 52 A 1 ATOM 410 C C . ILE A 0 52 . -18.868 7.769 0.457 1.00 86.96 52 A 1 ATOM 411 C CB . ILE A 0 52 . -16.440 8.359 -0.019 1.00 86.96 52 A 1 ATOM 412 O O . ILE A 0 52 . -19.354 7.873 1.575 1.00 86.96 52 A 1 ATOM 413 C CG1 . ILE A 0 52 . -15.012 7.837 0.248 1.00 86.96 52 A 1 ATOM 414 C CG2 . ILE A 0 52 . -16.706 9.637 0.795 1.00 86.96 52 A 1 ATOM 415 C CD1 . ILE A 0 52 . -13.925 8.761 -0.303 1.00 86.96 52 A 1 ATOM 416 N N . ARG A 0 53 . -19.546 8.071 -0.654 1.00 85.14 53 A 1 ATOM 417 C CA . ARG A 0 53 . -20.918 8.589 -0.637 1.00 85.14 53 A 1 ATOM 418 C C . ARG A 0 53 . -21.926 7.592 -0.060 1.00 85.14 53 A 1 ATOM 419 C CB . ARG A 0 53 . -21.298 8.994 -2.066 1.00 85.14 53 A 1 ATOM 420 O O . ARG A 0 53 . -22.899 8.017 0.547 1.00 85.14 53 A 1 ATOM 421 C CG . ARG A 0 53 . -22.711 9.582 -2.132 1.00 85.14 53 A 1 ATOM 422 C CD . ARG A 0 53 . -23.068 9.964 -3.564 1.00 85.14 53 A 1 ATOM 423 N NE . ARG A 0 53 . -24.446 10.472 -3.618 1.00 85.14 53 A 1 ATOM 424 N NH1 . ARG A 0 53 . -24.744 10.338 -5.887 1.00 85.14 53 A 1 ATOM 425 N NH2 . ARG A 0 53 . -26.415 11.052 -4.581 1.00 85.14 53 A 1 ATOM 426 C CZ . ARG A 0 53 . -25.194 10.617 -4.693 1.00 85.14 53 A 1 ATOM 427 N N . ASN A 0 54 . -21.733 6.301 -0.312 1.00 87.04 54 A 1 ATOM 428 C CA . ASN A 0 54 . -22.678 5.270 0.112 1.00 87.04 54 A 1 ATOM 429 C C . ASN A 0 54 . -22.442 4.820 1.559 1.00 87.04 54 A 1 ATOM 430 C CB . ASN A 0 54 . -22.575 4.081 -0.852 1.00 87.04 54 A 1 ATOM 431 O O . ASN A 0 54 . -23.399 4.482 2.246 1.00 87.04 54 A 1 ATOM 432 C CG . ASN A 0 54 . -23.058 4.368 -2.263 1.00 87.04 54 A 1 ATOM 433 N ND2 . ASN A 0 54 . -22.781 3.461 -3.172 1.00 87.04 54 A 1 ATOM 434 O OD1 . ASN A 0 54 . -23.700 5.356 -2.591 1.00 87.04 54 A 1 ATOM 435 N N . GLU A 0 55 . -21.184 4.797 2.004 1.00 85.04 55 A 1 ATOM 436 C CA . GLU A 0 55 . -20.794 4.209 3.290 1.00 85.04 55 A 1 ATOM 437 C C . GLU A 0 55 . -20.570 5.250 4.396 1.00 85.04 55 A 1 ATOM 438 C CB . GLU A 0 55 . -19.513 3.377 3.105 1.00 85.04 55 A 1 ATOM 439 O O . GLU A 0 55 . -20.687 4.916 5.575 1.00 85.04 55 A 1 ATOM 440 C CG . GLU A 0 55 . -19.599 2.260 2.049 1.00 85.04 55 A 1 ATOM 441 C CD . GLU A 0 55 . -20.694 1.220 2.312 1.00 85.04 55 A 1 ATOM 442 O OE1 . GLU A 0 55 . -21.259 0.731 1.305 1.00 85.04 55 A 1 ATOM 443 O OE2 . GLU A 0 55 . -20.900 0.868 3.494 1.00 85.04 55 A 1 ATOM 444 N N . LEU A 0 56 . -20.226 6.500 4.057 1.00 82.39 56 A 1 ATOM 445 C CA . LEU A 0 56 . -20.077 7.565 5.050 1.00 82.39 56 A 1 ATOM 446 C C . LEU A 0 56 . -21.353 8.413 5.122 1.00 82.39 56 A 1 ATOM 447 C CB . LEU A 0 56 . -18.836 8.440 4.794 1.00 82.39 56 A 1 ATOM 448 O O . LEU A 0 56 . -21.872 8.814 4.078 1.00 82.39 56 A 1 ATOM 449 C CG . LEU A 0 56 . -17.495 7.688 4.821 1.00 82.39 56 A 1 ATOM 450 C CD1 . LEU A 0 56 . -16.329 8.671 4.674 1.00 82.39 56 A 1 ATOM 451 C CD2 . LEU A 0 56 . -17.262 6.934 6.134 1.00 82.39 56 A 1 ATOM 452 N N . PRO A 0 57 . -21.842 8.740 6.333 1.00 77.77 57 A 1 ATOM 453 C CA . PRO A 0 57 . -22.919 9.706 6.477 1.00 77.77 57 A 1 ATOM 454 C C . PRO A 0 57 . -22.501 11.056 5.884 1.00 77.77 57 A 1 ATOM 455 C CB . PRO A 0 57 . -23.243 9.778 7.975 1.00 77.77 57 A 1 ATOM 456 O O . PRO A 0 57 . -21.333 11.438 5.967 1.00 77.77 57 A 1 ATOM 457 C CG . PRO A 0 57 . -22.101 9.060 8.697 1.00 77.77 57 A 1 ATOM 458 C CD . PRO A 0 57 . -21.357 8.272 7.621 1.00 77.77 57 A 1 ATOM 459 N N . GLU A 0 58 . -23.457 11.800 5.319 1.00 70.69 58 A 1 ATOM 460 C CA . GLU A 0 58 . -23.207 13.122 4.711 1.00 70.69 58 A 1 ATOM 461 C C . GLU A 0 58 . -22.529 14.107 5.682 1.00 70.69 58 A 1 ATOM 462 C CB . GLU A 0 58 . -24.531 13.732 4.211 1.00 70.69 58 A 1 ATOM 463 O O . GLU A 0 58 . -21.827 15.025 5.265 1.00 70.69 58 A 1 ATOM 464 C CG . GLU A 0 58 . -25.147 12.964 3.028 1.00 70.69 58 A 1 ATOM 465 C CD . GLU A 0 58 . -26.373 13.664 2.408 1.00 70.69 58 A 1 ATOM 466 O OE1 . GLU A 0 58 . -26.752 13.257 1.282 1.00 70.69 58 A 1 ATOM 467 O OE2 . GLU A 0 58 . -26.919 14.600 3.033 1.00 70.69 58 A 1 ATOM 468 N N . GLU A 0 59 . -22.696 13.877 6.985 1.00 64.15 59 A 1 ATOM 469 C CA . GLU A 0 59 . -22.110 14.645 8.084 1.00 64.15 59 A 1 ATOM 470 C C . GLU A 0 59 . -20.587 14.477 8.216 1.00 64.15 59 A 1 ATOM 471 C CB . GLU A 0 59 . -22.790 14.206 9.388 1.00 64.15 59 A 1 ATOM 472 O O . GLU A 0 59 . -19.935 15.295 8.873 1.00 64.15 59 A 1 ATOM 473 C CG . GLU A 0 59 . -24.303 14.487 9.392 1.00 64.15 59 A 1 ATOM 474 C CD . GLU A 0 59 . -25.023 13.908 10.619 1.00 64.15 59 A 1 ATOM 475 O OE1 . GLU A 0 59 . -26.267 14.033 10.656 1.00 64.15 59 A 1 ATOM 476 O OE2 . GLU A 0 59 . -24.343 13.332 11.499 1.00 64.15 59 A 1 ATOM 477 N N . VAL A 0 60 . -19.990 13.456 7.585 1.00 69.95 60 A 1 ATOM 478 C CA . VAL A 0 60 . -18.534 13.255 7.569 1.00 69.95 60 A 1 ATOM 479 C C . VAL A 0 60 . -17.894 14.249 6.601 1.00 69.95 60 A 1 ATOM 480 C CB . VAL A 0 60 . -18.124 11.794 7.305 1.00 69.95 60 A 1 ATOM 481 O O . VAL A 0 60 . -17.489 13.939 5.480 1.00 69.95 60 A 1 ATOM 482 C CG1 . VAL A 0 60 . -16.611 11.617 7.491 1.00 69.95 60 A 1 ATOM 483 C CG2 . VAL A 0 60 . -18.794 10.843 8.300 1.00 69.95 60 A 1 ATOM 484 N N . SER A 0 61 . -17.806 15.489 7.065 1.00 67.60 61 A 1 ATOM 485 C CA . SER A 0 61 . -16.983 16.531 6.467 1.00 67.60 61 A 1 ATOM 486 C C . SER A 0 61 . -15.522 16.355 6.894 1.00 67.60 61 A 1 ATOM 487 C CB . SER A 0 61 . -17.548 17.916 6.798 1.00 67.60 61 A 1 ATOM 488 O O . SER A 0 61 . -15.225 15.850 7.974 1.00 67.60 61 A 1 ATOM 489 O OG . SER A 0 61 . -17.509 18.191 8.182 1.00 67.60 61 A 1 ATOM 490 N N . GLY A 0 62 . -14.587 16.740 6.024 1.00 72.67 62 A 1 ATOM 491 C CA . GLY A 0 62 . -13.162 16.670 6.347 1.00 72.67 62 A 1 ATOM 492 C C . GLY A 0 62 . -12.558 15.271 6.214 1.00 72.67 62 A 1 ATOM 493 O O . GLY A 0 62 . -11.871 14.810 7.110 1.00 72.67 62 A 1 ATOM 494 N N . VAL A 0 63 . -12.736 14.593 5.077 1.00 78.13 63 A 1 ATOM 495 C CA . VAL A 0 63 . -11.847 13.482 4.686 1.00 78.13 63 A 1 ATOM 496 C C . VAL A 0 63 . -10.979 13.949 3.525 1.00 78.13 63 A 1 ATOM 497 C CB . VAL A 0 63 . -12.621 12.189 4.369 1.00 78.13 63 A 1 ATOM 498 O O . VAL A 0 63 . -11.459 14.127 2.407 1.00 78.13 63 A 1 ATOM 499 C CG1 . VAL A 0 63 . -11.671 11.062 3.940 1.00 78.13 63 A 1 ATOM 500 C CG2 . VAL A 0 63 . -13.372 11.694 5.607 1.00 78.13 63 A 1 ATOM 501 N N . HIS A 0 64 . -9.688 14.166 3.782 1.00 85.42 64 A 1 ATOM 502 C CA . HIS A 0 64 . -8.736 14.603 2.764 1.00 85.42 64 A 1 ATOM 503 C C . HIS A 0 64 . -7.883 13.420 2.318 1.00 85.42 64 A 1 ATOM 504 C CB . HIS A 0 64 . -7.893 15.784 3.262 1.00 85.42 64 A 1 ATOM 505 O O . HIS A 0 64 . -6.979 12.984 3.028 1.00 85.42 64 A 1 ATOM 506 C CG . HIS A 0 64 . -7.010 16.328 2.170 1.00 85.42 64 A 1 ATOM 507 C CD2 . HIS A 0 64 . -5.649 16.227 2.082 1.00 85.42 64 A 1 ATOM 508 N ND1 . HIS A 0 64 . -7.441 16.983 1.039 1.00 85.42 64 A 1 ATOM 509 C CE1 . HIS A 0 64 . -6.365 17.267 0.288 1.00 85.42 64 A 1 ATOM 510 N NE2 . HIS A 0 64 . -5.248 16.811 0.876 1.00 85.42 64 A 1 ATOM 511 N N . ILE A 0 65 . -8.174 12.880 1.136 1.00 89.06 65 A 1 ATOM 512 C CA . ILE A 0 65 . -7.421 11.766 0.554 1.00 89.06 65 A 1 ATOM 513 C C . ILE A 0 65 . -6.296 12.341 -0.300 1.00 89.06 65 A 1 ATOM 514 C CB . ILE A 0 65 . -8.338 10.806 -0.233 1.00 89.06 65 A 1 ATOM 515 O O . ILE A 0 65 . -6.537 12.904 -1.362 1.00 89.06 65 A 1 ATOM 516 C CG1 . ILE A 0 65 . -9.493 10.367 0.688 1.00 89.06 65 A 1 ATOM 517 C CG2 . ILE A 0 65 . -7.516 9.603 -0.736 1.00 89.06 65 A 1 ATOM 518 C CD1 . ILE A 0 65 . -10.455 9.335 0.115 1.00 89.06 65 A 1 ATOM 519 N N . MET A 0 66 . -5.058 12.178 0.160 1.00 91.39 66 A 1 ATOM 520 C CA . MET A 0 66 . -3.866 12.672 -0.528 1.00 91.39 66 A 1 ATOM 521 C C . MET A 0 66 . -3.430 11.764 -1.675 1.00 91.39 66 A 1 ATOM 522 C CB . MET A 0 66 . -2.700 12.771 0.459 1.00 91.39 66 A 1 ATOM 523 O O . MET A 0 66 . -2.907 12.243 -2.679 1.00 91.39 66 A 1 ATOM 524 C CG . MET A 0 66 . -2.917 13.818 1.546 1.00 91.39 66 A 1 ATOM 525 S SD . MET A 0 66 . -1.459 14.012 2.604 1.00 91.39 66 A 1 ATOM 526 C CE . MET A 0 66 . -0.442 15.060 1.534 1.00 91.39 66 A 1 ATOM 527 N N . LYS A 0 67 . -3.557 10.441 -1.507 1.00 93.39 67 A 1 ATOM 528 C CA . LYS A 0 67 . -3.121 9.459 -2.513 1.00 93.39 67 A 1 ATOM 529 C C . LYS A 0 67 . -4.046 8.254 -2.553 1.00 93.39 67 A 1 ATOM 530 C CB . LYS A 0 67 . -1.666 8.998 -2.289 1.00 93.39 67 A 1 ATOM 531 O O . LYS A 0 67 . -4.504 7.781 -1.516 1.00 93.39 67 A 1 ATOM 532 C CG . LYS A 0 67 . -0.652 10.151 -2.283 1.00 93.39 67 A 1 ATOM 533 C CD . LYS A 0 67 . 0.791 9.662 -2.138 1.00 93.39 67 A 1 ATOM 534 C CE . LYS A 0 67 . 1.707 10.891 -2.161 1.00 93.39 67 A 1 ATOM 535 N NZ . LYS A 0 67 . 3.137 10.533 -1.995 1.00 93.39 67 A 1 ATOM 536 N N . VAL A 0 68 . -4.223 7.722 -3.758 1.00 95.53 68 A 1 ATOM 537 C CA . VAL A 0 68 . -4.972 6.496 -4.047 1.00 95.53 68 A 1 ATOM 538 C C . VAL A 0 68 . -4.087 5.599 -4.905 1.00 95.53 68 A 1 ATOM 539 C CB . VAL A 0 68 . -6.296 6.827 -4.759 1.00 95.53 68 A 1 ATOM 540 O O . VAL A 0 68 . -3.647 6.011 -5.977 1.00 95.53 68 A 1 ATOM 541 C CG1 . VAL A 0 68 . -7.087 5.555 -5.056 1.00 95.53 68 A 1 ATOM 542 C CG2 . VAL A 0 68 . -7.153 7.759 -3.899 1.00 95.53 68 A 1 ATOM 543 N N . ILE A 0 69 . -3.747 4.409 -4.408 1.00 94.74 69 A 1 ATOM 544 C CA . ILE A 0 69 . -2.750 3.533 -5.038 1.00 94.74 69 A 1 ATOM 545 C C . ILE A 0 69 . -3.190 2.075 -4.923 1.00 94.74 69 A 1 ATOM 546 C CB . ILE A 0 69 . -1.349 3.729 -4.398 1.00 94.74 69 A 1 ATOM 547 O O . ILE A 0 69 . -3.435 1.590 -3.821 1.00 94.74 69 A 1 ATOM 548 C CG1 . ILE A 0 69 . -0.910 5.216 -4.364 1.00 94.74 69 A 1 ATOM 549 C CG2 . ILE A 0 69 . -0.306 2.883 -5.157 1.00 94.74 69 A 1 ATOM 550 C CD1 . ILE A 0 69 . 0.411 5.481 -3.633 1.00 94.74 69 A 1 ATOM 551 N N . ARG A 0 70 . -3.211 1.338 -6.038 1.00 94.51 70 A 1 ATOM 552 C CA . ARG A 0 70 . -3.352 -0.126 -6.005 1.00 94.51 70 A 1 ATOM 553 C C . ARG A 0 70 . -2.029 -0.797 -5.661 1.00 94.51 70 A 1 ATOM 554 C CB . ARG A 0 70 . -3.937 -0.673 -7.310 1.00 94.51 70 A 1 ATOM 555 O O . ARG A 0 70 . -1.011 -0.526 -6.296 1.00 94.51 70 A 1 ATOM 556 C CG . ARG A 0 70 . -5.424 -0.326 -7.418 1.00 94.51 70 A 1 ATOM 557 C CD . ARG A 0 70 . -6.093 -1.056 -8.581 1.00 94.51 70 A 1 ATOM 558 N NE . ARG A 0 70 . -7.522 -0.736 -8.622 1.00 94.51 70 A 1 ATOM 559 N NH1 . ARG A 0 70 . -8.430 -2.602 -7.581 1.00 94.51 70 A 1 ATOM 560 N NH2 . ARG A 0 70 . -9.728 -0.954 -8.297 1.00 94.51 70 A 1 ATOM 561 C CZ . ARG A 0 70 . -8.538 -1.440 -8.159 1.00 94.51 70 A 1 ATOM 562 N N . LEU A 0 71 . -2.049 -1.693 -4.682 1.00 93.60 71 A 1 ATOM 563 C CA . LEU A 0 71 . -0.870 -2.432 -4.240 1.00 93.60 71 A 1 ATOM 564 C C . LEU A 0 71 . -0.637 -3.672 -5.108 1.00 93.60 71 A 1 ATOM 565 C CB . LEU A 0 71 . -1.004 -2.805 -2.754 1.00 93.60 71 A 1 ATOM 566 O O . LEU A 0 71 . -1.553 -4.447 -5.358 1.00 93.60 71 A 1 ATOM 567 C CG . LEU A 0 71 . -1.223 -1.619 -1.796 1.00 93.60 71 A 1 ATOM 568 C CD1 . LEU A 0 71 . -1.266 -2.135 -0.357 1.00 93.60 71 A 1 ATOM 569 C CD2 . LEU A 0 71 . -0.108 -0.573 -1.895 1.00 93.60 71 A 1 ATOM 570 N N . GLY A 0 72 . 0.610 -3.883 -5.528 1.00 89.77 72 A 1 ATOM 571 C CA . GLY A 0 72 . 1.005 -5.016 -6.368 1.00 89.77 72 A 1 ATOM 572 C C . GLY A 0 72 . 1.131 -4.667 -7.853 1.00 89.77 72 A 1 ATOM 573 O O . GLY A 0 72 . 0.686 -3.617 -8.322 1.00 89.77 72 A 1 ATOM 574 N N . LYS A 0 73 . 1.785 -5.559 -8.605 1.00 87.50 73 A 1 ATOM 575 C CA . LYS A 0 73 . 2.015 -5.376 -10.043 1.00 87.50 73 A 1 ATOM 576 C C . LYS A 0 73 . 0.694 -5.502 -10.796 1.00 87.50 73 A 1 ATOM 577 C CB . LYS A 0 73 . 3.047 -6.384 -10.573 1.00 87.50 73 A 1 ATOM 578 O O . LYS A 0 73 . -0.087 -6.412 -10.538 1.00 87.50 73 A 1 ATOM 579 C CG . LYS A 0 73 . 4.443 -6.166 -9.966 1.00 87.50 73 A 1 ATOM 580 C CD . LYS A 0 73 . 5.459 -7.150 -10.562 1.00 87.50 73 A 1 ATOM 581 C CE . LYS A 0 73 . 6.837 -6.967 -9.911 1.00 87.50 73 A 1 ATOM 582 N NZ . LYS A 0 73 . 7.835 -7.918 -10.467 1.00 87.50 73 A 1 ATOM 583 N N . TYR A 0 74 . 0.448 -4.589 -11.730 1.00 86.16 74 A 1 ATOM 584 C CA . TYR A 0 74 . -0.609 -4.795 -12.711 1.00 86.16 74 A 1 ATOM 585 C C . TYR A 0 74 . -0.149 -5.834 -13.729 1.00 86.16 74 A 1 ATOM 586 C CB . TYR A 0 74 . -0.942 -3.482 -13.408 1.00 86.16 74 A 1 ATOM 587 O O . TYR A 0 74 . 0.948 -5.703 -14.267 1.00 86.16 74 A 1 ATOM 588 C CG . TYR A 0 74 . -1.994 -3.650 -14.480 1.00 86.16 74 A 1 ATOM 589 C CD1 . TYR A 0 74 . -1.613 -3.659 -15.838 1.00 86.16 74 A 1 ATOM 590 C CD2 . TYR A 0 74 . -3.358 -3.732 -14.127 1.00 86.16 74 A 1 ATOM 591 C CE1 . TYR A 0 74 . -2.602 -3.685 -16.839 1.00 86.16 74 A 1 ATOM 592 C CE2 . TYR A 0 74 . -4.346 -3.747 -15.132 1.00 86.16 74 A 1 ATOM 593 O OH . TYR A 0 74 . -4.899 -3.703 -17.476 1.00 86.16 74 A 1 ATOM 594 C CZ . TYR A 0 74 . -3.970 -3.711 -16.492 1.00 86.16 74 A 1 ATOM 595 N N . VAL A 0 75 . -0.983 -6.836 -13.982 1.00 79.84 75 A 1 ATOM 596 C CA . VAL A 0 75 . -0.656 -7.938 -14.896 1.00 79.84 75 A 1 ATOM 597 C C . VAL A 0 75 . -1.496 -7.951 -16.173 1.00 79.84 75 A 1 ATOM 598 C CB . VAL A 0 75 . -0.743 -9.290 -14.174 1.00 79.84 75 A 1 ATOM 599 O O . VAL A 0 75 . -1.185 -8.723 -17.068 1.00 79.84 75 A 1 ATOM 600 C CG1 . VAL A 0 75 . 0.339 -9.397 -13.088 1.00 79.84 75 A 1 ATOM 601 C CG2 . VAL A 0 75 . -2.145 -9.489 -13.587 1.00 79.84 75 A 1 ATOM 602 N N . GLY A 0 76 . -2.508 -7.084 -16.295 1.00 73.85 76 A 1 ATOM 603 C CA . GLY A 0 76 . -3.477 -7.145 -17.394 1.00 73.85 76 A 1 ATOM 604 C C . GLY A 0 76 . -4.358 -8.401 -17.331 1.00 73.85 76 A 1 ATOM 605 O O . GLY A 0 76 . -3.914 -9.474 -16.934 1.00 73.85 76 A 1 ATOM 606 N N . GLY A 0 77 . -5.625 -8.277 -17.719 1.00 68.41 77 A 1 ATOM 607 C CA . GLY A 0 77 . -6.540 -9.419 -17.809 1.00 68.41 77 A 1 ATOM 608 C C . GLY A 0 77 . -7.424 -9.659 -16.580 1.00 68.41 77 A 1 ATOM 609 O O . GLY A 0 77 . -7.169 -9.195 -15.472 1.00 68.41 77 A 1 ATOM 610 N N . GLU A 0 78 . -8.521 -10.373 -16.826 1.00 62.54 78 A 1 ATOM 611 C CA . GLU A 0 78 . -9.701 -10.477 -15.953 1.00 62.54 78 A 1 ATOM 612 C C . GLU A 0 78 . -9.573 -11.532 -14.840 1.00 62.54 78 A 1 ATOM 613 C CB . GLU A 0 78 . -10.938 -10.755 -16.829 1.00 62.54 78 A 1 ATOM 614 O O . GLU A 0 78 . -10.471 -11.680 -14.017 1.00 62.54 78 A 1 ATOM 615 C CG . GLU A 0 78 . -11.101 -9.722 -17.959 1.00 62.54 78 A 1 ATOM 616 C CD . GLU A 0 78 . -12.406 -9.866 -18.750 1.00 62.54 78 A 1 ATOM 617 O OE1 . GLU A 0 78 . -12.714 -8.915 -19.502 1.00 62.54 78 A 1 ATOM 618 O OE2 . GLU A 0 78 . -13.174 -10.814 -18.512 1.00 62.54 78 A 1 ATOM 619 N N . THR A 0 79 . -8.463 -12.271 -14.795 1.00 60.67 79 A 1 ATOM 620 C CA . THR A 0 79 . -8.345 -13.510 -14.008 1.00 60.67 79 A 1 ATOM 621 C C . THR A 0 79 . -7.465 -13.404 -12.764 1.00 60.67 79 A 1 ATOM 622 C CB . THR A 0 79 . -7.896 -14.673 -14.904 1.00 60.67 79 A 1 ATOM 623 O O . THR A 0 79 . -7.166 -14.427 -12.150 1.00 60.67 79 A 1 ATOM 624 C CG2 . THR A 0 79 . -8.964 -15.023 -15.939 1.00 60.67 79 A 1 ATOM 625 O OG1 . THR A 0 79 . -6.721 -14.320 -15.603 1.00 60.67 79 A 1 ATOM 626 N N . GLN A 0 80 . -7.044 -12.204 -12.352 1.00 67.84 80 A 1 ATOM 627 C CA . GLN A 0 80 . -6.285 -12.039 -11.108 1.00 67.84 80 A 1 ATOM 628 C C . GLN A 0 80 . -7.171 -11.568 -9.950 1.00 67.84 80 A 1 ATOM 629 C CB . GLN A 0 80 . -5.033 -11.168 -11.325 1.00 67.84 80 A 1 ATOM 630 O O . GLN A 0 80 . -8.125 -10.811 -10.133 1.00 67.84 80 A 1 ATOM 631 C CG . GLN A 0 80 . -4.050 -11.366 -10.157 1.00 67.84 80 A 1 ATOM 632 C CD . GLN A 0 80 . -2.669 -10.783 -10.406 1.00 67.84 80 A 1 ATOM 633 N NE2 . GLN A 0 80 . -2.253 -9.787 -9.659 1.00 67.84 80 A 1 ATOM 634 O OE1 . GLN A 0 80 . -1.908 -11.234 -11.234 1.00 67.84 80 A 1 ATOM 635 N N . GLN A 0 81 . -6.815 -11.989 -8.730 1.00 77.68 81 A 1 ATOM 636 C CA . GLN A 0 81 . -7.335 -11.382 -7.507 1.00 77.68 81 A 1 ATOM 637 C C . GLN A 0 81 . -7.197 -9.857 -7.587 1.00 77.68 81 A 1 ATOM 638 C CB . GLN A 0 81 . -6.585 -11.910 -6.275 1.00 77.68 81 A 1 ATOM 639 O O . GLN A 0 81 . -6.115 -9.330 -7.866 1.00 77.68 81 A 1 ATOM 640 C CG . GLN A 0 81 . -6.944 -13.365 -5.939 1.00 77.68 81 A 1 ATOM 641 C CD . GLN A 0 81 . -6.263 -13.856 -4.663 1.00 77.68 81 A 1 ATOM 642 N NE2 . GLN A 0 81 . -6.726 -14.941 -4.083 1.00 77.68 81 A 1 ATOM 643 O OE1 . GLN A 0 81 . -5.306 -13.288 -4.166 1.00 77.68 81 A 1 ATOM 644 N N . ARG A 0 82 . -8.313 -9.162 -7.345 1.00 86.80 82 A 1 ATOM 645 C CA . ARG A 0 82 . -8.379 -7.698 -7.339 1.00 86.80 82 A 1 ATOM 646 C C . ARG A 0 82 . -7.355 -7.156 -6.344 1.00 86.80 82 A 1 ATOM 647 C CB . ARG A 0 82 . -9.800 -7.237 -6.979 1.00 86.80 82 A 1 ATOM 648 O O . ARG A 0 82 . -7.310 -7.594 -5.192 1.00 86.80 82 A 1 ATOM 649 C CG . ARG A 0 82 . -10.842 -7.624 -8.043 1.00 86.80 82 A 1 ATOM 650 C CD . ARG A 0 82 . -12.250 -7.268 -7.553 1.00 86.80 82 A 1 ATOM 651 N NE . ARG A 0 82 . -13.295 -7.620 -8.530 1.00 86.80 82 A 1 ATOM 652 N NH1 . ARG A 0 82 . -15.107 -6.817 -7.345 1.00 86.80 82 A 1 ATOM 653 N NH2 . ARG A 0 82 . -15.403 -7.627 -9.390 1.00 86.80 82 A 1 ATOM 654 C CZ . ARG A 0 82 . -14.589 -7.363 -8.408 1.00 86.80 82 A 1 ATOM 655 N N . LYS A 0 83 . -6.530 -6.208 -6.782 1.00 91.67 83 A 1 ATOM 656 C CA . LYS A 0 83 . -5.512 -5.591 -5.938 1.00 91.67 83 A 1 ATOM 657 C C . LYS A 0 83 . -6.164 -4.743 -4.863 1.00 91.67 83 A 1 ATOM 658 C CB . LYS A 0 83 . -4.533 -4.734 -6.745 1.00 91.67 83 A 1 ATOM 659 O O . LYS A 0 83 . -7.216 -4.134 -5.049 1.00 91.67 83 A 1 ATOM 660 C CG . LYS A 0 83 . -3.735 -5.548 -7.779 1.00 91.67 83 A 1 ATOM 661 C CD . LYS A 0 83 . -2.787 -4.656 -8.586 1.00 91.67 83 A 1 ATOM 662 C CE . LYS A 0 83 . -3.597 -3.779 -9.541 1.00 91.67 83 A 1 ATOM 663 N NZ . LYS A 0 83 . -2.771 -2.716 -10.149 1.00 91.67 83 A 1 ATOM 664 N N . ILE A 0 84 . -5.464 -4.665 -3.744 1.00 93.73 84 A 1 ATOM 665 C CA . ILE A 0 84 . -5.839 -3.822 -2.620 1.00 93.73 84 A 1 ATOM 666 C C . ILE A 0 84 . -5.697 -2.355 -3.025 1.00 93.73 84 A 1 ATOM 667 C CB . ILE A 0 84 . -4.956 -4.177 -1.410 1.00 93.73 84 A 1 ATOM 668 O O . ILE A 0 84 . -4.625 -1.947 -3.480 1.00 93.73 84 A 1 ATOM 669 C CG1 . ILE A 0 84 . -5.206 -5.645 -0.987 1.00 93.73 84 A 1 ATOM 670 C CG2 . ILE A 0 84 . -5.225 -3.165 -0.293 1.00 93.73 84 A 1 ATOM 671 C CD1 . ILE A 0 84 . -4.332 -6.137 0.173 1.00 93.73 84 A 1 ATOM 672 N N . LEU A 0 85 . -6.742 -1.558 -2.808 1.00 95.37 85 A 1 ATOM 673 C CA . LEU A 0 85 . -6.674 -0.111 -2.960 1.00 95.37 85 A 1 ATOM 674 C C . LEU A 0 85 . -6.250 0.515 -1.629 1.00 95.37 85 A 1 ATOM 675 C CB . LEU A 0 85 . -8.020 0.428 -3.471 1.00 95.37 85 A 1 ATOM 676 O O . LEU A 0 85 . -6.960 0.423 -0.628 1.00 95.37 85 A 1 ATOM 677 C CG . LEU A 0 85 . -7.924 1.875 -3.987 1.00 95.37 85 A 1 ATOM 678 C CD1 . LEU A 0 85 . -7.169 1.915 -5.318 1.00 95.37 85 A 1 ATOM 679 C CD2 . LEU A 0 85 . -9.309 2.472 -4.209 1.00 95.37 85 A 1 ATOM 680 N N . LYS A 0 86 . -5.077 1.147 -1.621 1.00 95.41 86 A 1 ATOM 681 C CA . LYS A 0 86 . -4.556 1.915 -0.493 1.00 95.41 86 A 1 ATOM 682 C C . LYS A 0 86 . -4.898 3.387 -0.658 1.00 95.41 86 A 1 ATOM 683 C CB . LYS A 0 86 . -3.049 1.672 -0.337 1.00 95.41 86 A 1 ATOM 684 O O . LYS A 0 86 . -4.540 4.011 -1.657 1.00 95.41 86 A 1 ATOM 685 C CG . LYS A 0 86 . -2.463 2.470 0.837 1.00 95.41 86 A 1 ATOM 686 C CD . LYS A 0 86 . -0.979 2.155 1.043 1.00 95.41 86 A 1 ATOM 687 C CE . LYS A 0 86 . -0.472 2.983 2.225 1.00 95.41 86 A 1 ATOM 688 N NZ . LYS A 0 86 . 0.938 2.674 2.569 1.00 95.41 86 A 1 ATOM 689 N N . LEU A 0 87 . -5.517 3.934 0.374 1.00 94.54 87 A 1 ATOM 690 C CA . LEU A 0 87 . -5.788 5.349 0.554 1.00 94.54 87 A 1 ATOM 691 C C . LEU A 0 87 . -4.772 5.910 1.542 1.00 94.54 87 A 1 ATOM 692 C CB . LEU A 0 87 . -7.229 5.543 1.051 1.00 94.54 87 A 1 ATOM 693 O O . LEU A 0 87 . -4.461 5.274 2.548 1.00 94.54 87 A 1 ATOM 694 C CG . LEU A 0 87 . -8.291 4.799 0.221 1.00 94.54 87 A 1 ATOM 695 C CD1 . LEU A 0 87 . -9.663 5.053 0.829 1.00 94.54 87 A 1 ATOM 696 C CD2 . LEU A 0 87 . -8.292 5.244 -1.240 1.00 94.54 87 A 1 ATOM 697 N N . VAL A 0 88 . -4.242 7.088 1.252 1.00 93.09 88 A 1 ATOM 698 C CA . VAL A 0 88 . -3.410 7.852 2.183 1.00 93.09 88 A 1 ATOM 699 C C . VAL A 0 88 . -4.167 9.118 2.510 1.00 93.09 88 A 1 ATOM 700 C CB . VAL A 0 88 . -2.032 8.171 1.588 1.00 93.09 88 A 1 ATOM 701 O O . VAL A 0 88 . -4.483 9.886 1.601 1.00 93.09 88 A 1 ATOM 702 C CG1 . VAL A 0 88 . -1.153 8.913 2.593 1.00 93.09 88 A 1 ATOM 703 C CG2 . VAL A 0 88 . -1.289 6.891 1.172 1.00 93.09 88 A 1 ATOM 704 N N . PHE A 0 89 . -4.456 9.324 3.786 1.00 90.46 89 A 1 ATOM 705 C CA . PHE A 0 89 . -5.176 10.495 4.253 1.00 90.46 89 A 1 ATOM 706 C C . PHE A 0 89 . -4.194 11.579 4.689 1.00 90.46 89 A 1 ATOM 707 C CB . PHE A 0 89 . -6.160 10.100 5.355 1.00 90.46 89 A 1 ATOM 708 O O . PHE A 0 89 . -3.108 11.292 5.192 1.00 90.46 89 A 1 ATOM 709 C CG . PHE A 0 89 . -7.162 9.050 4.930 1.00 90.46 89 A 1 ATOM 710 C CD1 . PHE A 0 89 . -8.291 9.418 4.178 1.00 90.46 89 A 1 ATOM 711 C CD2 . PHE A 0 89 . -6.991 7.710 5.324 1.00 90.46 89 A 1 ATOM 712 C CE1 . PHE A 0 89 . -9.243 8.447 3.815 1.00 90.46 89 A 1 ATOM 713 C CE2 . PHE A 0 89 . -7.961 6.753 4.987 1.00 90.46 89 A 1 ATOM 714 C CZ . PHE A 0 89 . -9.078 7.113 4.217 1.00 90.46 89 A 1 ATOM 715 N N . GLY A 0 90 . -4.575 12.830 4.467 1.00 86.38 90 A 1 ATOM 716 C CA . GLY A 0 90 . -3.917 13.968 5.085 1.00 86.38 90 A 1 ATOM 717 C C . GLY A 0 90 . -4.364 14.111 6.530 1.00 86.38 90 A 1 ATOM 718 O O . GLY A 0 90 . -5.424 13.619 6.917 1.00 86.38 90 A 1 ATOM 719 N N . TYR A 0 91 . -3.550 14.799 7.317 1.00 77.67 91 A 1 ATOM 720 C CA . TYR A 0 91 . -3.994 15.296 8.610 1.00 77.67 91 A 1 ATOM 721 C C . TYR A 0 91 . -4.782 16.583 8.401 1.00 77.67 91 A 1 ATOM 722 C CB . TYR A 0 91 . -2.797 15.521 9.530 1.00 77.67 91 A 1 ATOM 723 O O . TYR A 0 91 . -4.423 17.394 7.545 1.00 77.67 91 A 1 ATOM 724 C CG . TYR A 0 91 . -2.024 14.255 9.816 1.00 77.67 91 A 1 ATOM 725 C CD1 . TYR A 0 91 . -2.438 13.402 10.857 1.00 77.67 91 A 1 ATOM 726 C CD2 . TYR A 0 91 . -0.889 13.944 9.044 1.00 77.67 91 A 1 ATOM 727 C CE1 . TYR A 0 91 . -1.680 12.261 11.172 1.00 77.67 91 A 1 ATOM 728 C CE2 . TYR A 0 91 . -0.125 12.811 9.357 1.00 77.67 91 A 1 ATOM 729 O OH . TYR A 0 91 . 0.317 10.987 10.770 1.00 77.67 91 A 1 ATOM 730 C CZ . TYR A 0 91 . -0.505 11.999 10.439 1.00 77.67 91 A 1 ATOM 731 N N . PHE A 0 92 . -5.829 16.757 9.196 1.00 66.85 92 A 1 ATOM 732 C CA . PHE A 0 92 . -6.375 18.078 9.470 1.00 66.85 92 A 1 ATOM 733 C C . PHE A 0 92 . -5.604 18.622 10.671 1.00 66.85 92 A 1 ATOM 734 C CB . PHE A 0 92 . -7.887 17.978 9.698 1.00 66.85 92 A 1 ATOM 735 O O . PHE A 0 92 . -5.427 17.894 11.651 1.00 66.85 92 A 1 ATOM 736 C CG . PHE A 0 92 . -8.601 17.480 8.458 1.00 66.85 92 A 1 ATOM 737 C CD1 . PHE A 0 92 . -9.016 18.397 7.475 1.00 66.85 92 A 1 ATOM 738 C CD2 . PHE A 0 92 . -8.748 16.100 8.237 1.00 66.85 92 A 1 ATOM 739 C CE1 . PHE A 0 92 . -9.596 17.940 6.283 1.00 66.85 92 A 1 ATOM 740 C CE2 . PHE A 0 92 . -9.268 15.642 7.020 1.00 66.85 92 A 1 ATOM 741 C CZ . PHE A 0 92 . -9.723 16.564 6.059 1.00 66.85 92 A 1 ATOM 742 N N . GLU A 0 93 . -5.074 19.834 10.541 1.00 56.99 93 A 1 ATOM 743 C CA . GLU A 0 93 . -4.570 20.611 11.681 1.00 56.99 93 A 1 ATOM 744 C C . GLU A 0 93 . -5.726 21.325 12.384 1.00 56.99 93 A 1 ATOM 745 C CB . GLU A 0 93 . -3.467 21.596 11.244 1.00 56.99 93 A 1 ATOM 746 O O . GLU A 0 93 . -6.691 21.711 11.680 1.00 56.99 93 A 1 ATOM 747 C CG . GLU A 0 93 . -2.164 20.883 10.830 1.00 56.99 93 A 1 ATOM 748 C CD . GLU A 0 93 . -0.973 21.826 10.544 1.00 56.99 93 A 1 ATOM 749 O OE1 . GLU A 0 93 . 0.168 21.296 10.467 1.00 56.99 93 A 1 ATOM 750 O OE2 . GLU A 0 93 . -1.169 23.051 10.368 1.00 56.99 93 A 1 ATOM 751 O OXT . GLU A 0 93 . -5.621 21.425 13.624 1.00 56.99 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 80.66 # loop_ _atom_type.symbol C N O S #