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 MET 0 3 ILE 0 4 MET 0 5 MET 0 6 MET 0 7 MET 0 8 ARG 0 9 SER 0 10 PHE 0 11 ASN 0 12 LEU 0 13 VAL 0 14 LYS 0 15 MET 0 16 ILE 0 17 SER 0 18 LEU 0 19 LEU 0 20 LEU 0 21 PHE 0 22 SER 0 23 ASN 0 24 LEU 0 25 LEU 0 26 ILE 0 27 ILE 0 28 SER 0 29 ILE 0 30 GLN 0 31 GLY 0 32 VAL 0 33 VAL 0 34 ILE 0 35 PRO 0 36 GLU 0 37 ALA 0 38 ASN 0 39 PRO 0 40 ILE 0 41 ASP 0 42 TYR 0 43 GLN 0 44 SER 0 45 LYS 0 46 ARG 0 47 TRP 0 48 THR 0 49 ASP 0 50 PHE 0 51 LYS 0 52 ARG 0 53 ALA 0 54 ILE 0 55 ARG 0 56 TRP 0 57 SER 0 58 GLU 0 59 TYR 0 60 PRO 0 61 PHE 0 62 THR 0 63 PHE 0 64 THR 0 65 PRO 0 66 GLU 0 67 ILE 0 68 LYS 0 69 ARG 0 70 HIS 0 71 TYR 0 72 LEU 0 73 TYR 0 74 GLU 0 75 GLN 0 76 ARG 0 77 PRO 0 78 TYR 0 79 TYR 0 80 ASN 0 81 ASP 0 82 ILE 0 83 LEU 0 84 VAL # 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 . -0.572 8.622 50.494 1.00 56.63 1 A 1 ATOM 2 C CA . MET A 0 1 . 0.209 7.715 49.615 1.00 56.63 1 A 1 ATOM 3 C C . MET A 0 1 . -0.364 7.598 48.196 1.00 56.63 1 A 1 ATOM 4 C CB . MET A 0 1 . 0.427 6.354 50.292 1.00 56.63 1 A 1 ATOM 5 O O . MET A 0 1 . 0.412 7.592 47.251 1.00 56.63 1 A 1 ATOM 6 C CG . MET A 0 1 . 1.712 5.683 49.795 1.00 56.63 1 A 1 ATOM 7 S SD . MET A 0 1 . 2.435 4.555 51.011 1.00 56.63 1 A 1 ATOM 8 C CE . MET A 0 1 . 1.991 2.939 50.320 1.00 56.63 1 A 1 ATOM 9 N N . MET A 0 2 . -1.695 7.594 48.020 1.00 61.46 2 A 1 ATOM 10 C CA . MET A 0 2 . -2.353 7.441 46.707 1.00 61.46 2 A 1 ATOM 11 C C . MET A 0 2 . -2.069 8.582 45.702 1.00 61.46 2 A 1 ATOM 12 C CB . MET A 0 2 . -3.862 7.269 46.964 1.00 61.46 2 A 1 ATOM 13 O O . MET A 0 2 . -1.836 8.322 44.525 1.00 61.46 2 A 1 ATOM 14 C CG . MET A 0 2 . -4.553 6.427 45.893 1.00 61.46 2 A 1 ATOM 15 S SD . MET A 0 2 . -6.216 5.884 46.370 1.00 61.46 2 A 1 ATOM 16 C CE . MET A 0 2 . -7.177 7.399 46.113 1.00 61.46 2 A 1 ATOM 17 N N . ILE A 0 3 . -1.988 9.834 46.170 1.00 60.91 3 A 1 ATOM 18 C CA . ILE A 0 3 . -1.713 11.014 45.320 1.00 60.91 3 A 1 ATOM 19 C C . ILE A 0 3 . -0.310 10.943 44.686 1.00 60.91 3 A 1 ATOM 20 C CB . ILE A 0 3 . -1.921 12.310 46.147 1.00 60.91 3 A 1 ATOM 21 O O . ILE A 0 3 . -0.137 11.236 43.507 1.00 60.91 3 A 1 ATOM 22 C CG1 . ILE A 0 3 . -3.401 12.430 46.592 1.00 60.91 3 A 1 ATOM 23 C CG2 . ILE A 0 3 . -1.502 13.562 45.355 1.00 60.91 3 A 1 ATOM 24 C CD1 . ILE A 0 3 . -3.650 13.496 47.668 1.00 60.91 3 A 1 ATOM 25 N N . MET A 0 4 . 0.691 10.471 45.435 1.00 55.92 4 A 1 ATOM 26 C CA . MET A 0 4 . 2.072 10.360 44.949 1.00 55.92 4 A 1 ATOM 27 C C . MET A 0 4 . 2.233 9.237 43.907 1.00 55.92 4 A 1 ATOM 28 C CB . MET A 0 4 . 2.991 10.167 46.164 1.00 55.92 4 A 1 ATOM 29 O O . MET A 0 4 . 3.014 9.373 42.965 1.00 55.92 4 A 1 ATOM 30 C CG . MET A 0 4 . 4.429 10.613 45.894 1.00 55.92 4 A 1 ATOM 31 S SD . MET A 0 4 . 5.516 10.460 47.336 1.00 55.92 4 A 1 ATOM 32 C CE . MET A 0 4 . 5.607 8.658 47.510 1.00 55.92 4 A 1 ATOM 33 N N . MET A 0 5 . 1.454 8.152 44.030 1.00 56.71 5 A 1 ATOM 34 C CA . MET A 0 5 . 1.370 7.098 43.009 1.00 56.71 5 A 1 ATOM 35 C C . MET A 0 5 . 0.690 7.591 41.725 1.00 56.71 5 A 1 ATOM 36 C CB . MET A 0 5 . 0.651 5.859 43.568 1.00 56.71 5 A 1 ATOM 37 O O . MET A 0 5 . 1.205 7.313 40.643 1.00 56.71 5 A 1 ATOM 38 C CG . MET A 0 5 . 1.614 4.918 44.298 1.00 56.71 5 A 1 ATOM 39 S SD . MET A 0 5 . 0.786 3.470 45.006 1.00 56.71 5 A 1 ATOM 40 C CE . MET A 0 5 . 2.169 2.299 45.094 1.00 56.71 5 A 1 ATOM 41 N N . MET A 0 6 . -0.394 8.376 41.826 1.00 57.05 6 A 1 ATOM 42 C CA . MET A 0 6 . -1.032 8.989 40.650 1.00 57.05 6 A 1 ATOM 43 C C . MET A 0 6 . -0.100 9.960 39.916 1.00 57.05 6 A 1 ATOM 44 C CB . MET A 0 6 . -2.325 9.728 41.024 1.00 57.05 6 A 1 ATOM 45 O O . MET A 0 6 . -0.054 9.942 38.692 1.00 57.05 6 A 1 ATOM 46 C CG . MET A 0 6 . -3.553 8.821 41.111 1.00 57.05 6 A 1 ATOM 47 S SD . MET A 0 6 . -5.085 9.791 41.101 1.00 57.05 6 A 1 ATOM 48 C CE . MET A 0 6 . -6.314 8.496 41.399 1.00 57.05 6 A 1 ATOM 49 N N . MET A 0 7 . 0.689 10.776 40.625 1.00 58.18 7 A 1 ATOM 50 C CA . MET A 0 7 . 1.632 11.693 39.965 1.00 58.18 7 A 1 ATOM 51 C C . MET A 0 7 . 2.733 10.947 39.196 1.00 58.18 7 A 1 ATOM 52 C CB . MET A 0 7 . 2.255 12.654 40.985 1.00 58.18 7 A 1 ATOM 53 O O . MET A 0 7 . 3.116 11.360 38.100 1.00 58.18 7 A 1 ATOM 54 C CG . MET A 0 7 . 1.247 13.688 41.492 1.00 58.18 7 A 1 ATOM 55 S SD . MET A 0 7 . 1.968 14.928 42.599 1.00 58.18 7 A 1 ATOM 56 C CE . MET A 0 7 . 2.672 16.082 41.386 1.00 58.18 7 A 1 ATOM 57 N N . ARG A 0 8 . 3.222 9.819 39.734 1.00 55.31 8 A 1 ATOM 58 C CA . ARG A 0 8 . 4.220 8.978 39.052 1.00 55.31 8 A 1 ATOM 59 C C . ARG A 0 8 . 3.650 8.274 37.821 1.00 55.31 8 A 1 ATOM 60 C CB . ARG A 0 8 . 4.848 7.971 40.033 1.00 55.31 8 A 1 ATOM 61 O O . ARG A 0 8 . 4.316 8.265 36.787 1.00 55.31 8 A 1 ATOM 62 C CG . ARG A 0 8 . 6.279 8.379 40.411 1.00 55.31 8 A 1 ATOM 63 C CD . ARG A 0 8 . 6.919 7.316 41.312 1.00 55.31 8 A 1 ATOM 64 N NE . ARG A 0 8 . 8.353 7.579 41.543 1.00 55.31 8 A 1 ATOM 65 N NH1 . ARG A 0 8 . 8.789 5.743 42.857 1.00 55.31 8 A 1 ATOM 66 N NH2 . ARG A 0 8 . 10.443 7.149 42.349 1.00 55.31 8 A 1 ATOM 67 C CZ . ARG A 0 8 . 9.185 6.827 42.246 1.00 55.31 8 A 1 ATOM 68 N N . SER A 0 9 . 2.439 7.719 37.900 1.00 57.35 9 A 1 ATOM 69 C CA . SER A 0 9 . 1.809 7.066 36.744 1.00 57.35 9 A 1 ATOM 70 C C . SER A 0 9 . 1.439 8.071 35.650 1.00 57.35 9 A 1 ATOM 71 C CB . SER A 0 9 . 0.591 6.241 37.166 1.00 57.35 9 A 1 ATOM 72 O O . SER A 0 9 . 1.628 7.778 34.471 1.00 57.35 9 A 1 ATOM 73 O OG . SER A 0 9 . -0.433 7.064 37.683 1.00 57.35 9 A 1 ATOM 74 N N . PHE A 0 10 . 1.020 9.284 36.019 1.00 59.23 10 A 1 ATOM 75 C CA . PHE A 0 10 . 0.690 10.344 35.064 1.00 59.23 10 A 1 ATOM 76 C C . PHE A 0 10 . 1.902 10.780 34.226 1.00 59.23 10 A 1 ATOM 77 C CB . PHE A 0 10 . 0.083 11.523 35.833 1.00 59.23 10 A 1 ATOM 78 O O . PHE A 0 10 . 1.781 10.998 33.019 1.00 59.23 10 A 1 ATOM 79 C CG . PHE A 0 10 . -0.789 12.422 34.988 1.00 59.23 10 A 1 ATOM 80 C CD1 . PHE A 0 10 . -0.325 13.673 34.546 1.00 59.23 10 A 1 ATOM 81 C CD2 . PHE A 0 10 . -2.104 12.016 34.697 1.00 59.23 10 A 1 ATOM 82 C CE1 . PHE A 0 10 . -1.191 14.523 33.834 1.00 59.23 10 A 1 ATOM 83 C CE2 . PHE A 0 10 . -2.955 12.852 33.956 1.00 59.23 10 A 1 ATOM 84 C CZ . PHE A 0 10 . -2.498 14.107 33.522 1.00 59.23 10 A 1 ATOM 85 N N . ASN A 0 11 . 3.092 10.842 34.835 1.00 72.93 11 A 1 ATOM 86 C CA . ASN A 0 11 . 4.334 11.132 34.112 1.00 72.93 11 A 1 ATOM 87 C C . ASN A 0 11 . 4.753 9.994 33.174 1.00 72.93 11 A 1 ATOM 88 C CB . ASN A 0 11 . 5.448 11.461 35.124 1.00 72.93 11 A 1 ATOM 89 O O . ASN A 0 11 . 5.240 10.252 32.074 1.00 72.93 11 A 1 ATOM 90 C CG . ASN A 0 11 . 5.499 12.933 35.488 1.00 72.93 11 A 1 ATOM 91 N ND2 . ASN A 0 11 . 6.220 13.283 36.526 1.00 72.93 11 A 1 ATOM 92 O OD1 . ASN A 0 11 . 4.928 13.794 34.839 1.00 72.93 11 A 1 ATOM 93 N N . LEU A 0 12 . 4.538 8.742 33.579 1.00 78.30 12 A 1 ATOM 94 C CA . LEU A 0 12 . 4.925 7.582 32.779 1.00 78.30 12 A 1 ATOM 95 C C . LEU A 0 12 . 4.043 7.453 31.526 1.00 78.30 12 A 1 ATOM 96 C CB . LEU A 0 12 . 4.921 6.353 33.707 1.00 78.30 12 A 1 ATOM 97 O O . LEU A 0 12 . 4.562 7.261 30.429 1.00 78.30 12 A 1 ATOM 98 C CG . LEU A 0 12 . 5.905 5.251 33.274 1.00 78.30 12 A 1 ATOM 99 C CD1 . LEU A 0 12 . 6.393 4.479 34.499 1.00 78.30 12 A 1 ATOM 100 C CD2 . LEU A 0 12 . 5.257 4.263 32.314 1.00 78.30 12 A 1 ATOM 101 N N . VAL A 0 13 . 2.731 7.676 31.661 1.00 80.41 13 A 1 ATOM 102 C CA . VAL A 0 13 . 1.792 7.695 30.525 1.00 80.41 13 A 1 ATOM 103 C C . VAL A 0 13 . 2.147 8.802 29.527 1.00 80.41 13 A 1 ATOM 104 C CB . VAL A 0 13 . 0.339 7.828 31.020 1.00 80.41 13 A 1 ATOM 105 O O . VAL A 0 13 . 2.190 8.540 28.327 1.00 80.41 13 A 1 ATOM 106 C CG1 . VAL A 0 13 . -0.662 7.995 29.869 1.00 80.41 13 A 1 ATOM 107 C CG2 . VAL A 0 13 . -0.081 6.578 31.807 1.00 80.41 13 A 1 ATOM 108 N N . LYS A 0 14 . 2.476 10.014 30.003 1.00 82.09 14 A 1 ATOM 109 C CA . LYS A 0 14 . 2.911 11.121 29.131 1.00 82.09 14 A 1 ATOM 110 C C . LYS A 0 14 . 4.218 10.825 28.394 1.00 82.09 14 A 1 ATOM 111 C CB . LYS A 0 14 . 3.057 12.416 29.938 1.00 82.09 14 A 1 ATOM 112 O O . LYS A 0 14 . 4.348 11.182 27.226 1.00 82.09 14 A 1 ATOM 113 C CG . LYS A 0 14 . 1.704 13.082 30.210 1.00 82.09 14 A 1 ATOM 114 C CD . LYS A 0 14 . 1.929 14.425 30.912 1.00 82.09 14 A 1 ATOM 115 C CE . LYS A 0 14 . 0.603 15.171 31.052 1.00 82.09 14 A 1 ATOM 116 N NZ . LYS A 0 14 . 0.809 16.516 31.647 1.00 82.09 14 A 1 ATOM 117 N N . MET A 0 15 . 5.182 10.169 29.045 1.00 84.98 15 A 1 ATOM 118 C CA . MET A 0 15 . 6.418 9.762 28.369 1.00 84.98 15 A 1 ATOM 119 C C . MET A 0 15 . 6.157 8.721 27.282 1.00 84.98 15 A 1 ATOM 120 C CB . MET A 0 15 . 7.458 9.226 29.359 1.00 84.98 15 A 1 ATOM 121 O O . MET A 0 15 . 6.667 8.869 26.174 1.00 84.98 15 A 1 ATOM 122 C CG . MET A 0 15 . 8.243 10.349 30.041 1.00 84.98 15 A 1 ATOM 123 S SD . MET A 0 15 . 9.957 9.904 30.435 1.00 84.98 15 A 1 ATOM 124 C CE . MET A 0 15 . 9.702 8.548 31.608 1.00 84.98 15 A 1 ATOM 125 N N . ILE A 0 16 . 5.330 7.708 27.562 1.00 87.12 16 A 1 ATOM 126 C CA . ILE A 0 16 . 4.966 6.693 26.564 1.00 87.12 16 A 1 ATOM 127 C C . ILE A 0 16 . 4.231 7.337 25.385 1.00 87.12 16 A 1 ATOM 128 C CB . ILE A 0 16 . 4.141 5.555 27.208 1.00 87.12 16 A 1 ATOM 129 O O . ILE A 0 16 . 4.550 7.037 24.235 1.00 87.12 16 A 1 ATOM 130 C CG1 . ILE A 0 16 . 5.032 4.747 28.179 1.00 87.12 16 A 1 ATOM 131 C CG2 . ILE A 0 16 . 3.555 4.619 26.129 1.00 87.12 16 A 1 ATOM 132 C CD1 . ILE A 0 16 . 4.268 3.700 28.999 1.00 87.12 16 A 1 ATOM 133 N N . SER A 0 17 . 3.292 8.256 25.639 1.00 87.38 17 A 1 ATOM 134 C CA . SER A 0 17 . 2.575 8.934 24.554 1.00 87.38 17 A 1 ATOM 135 C C . SER A 0 17 . 3.510 9.770 23.681 1.00 87.38 17 A 1 ATOM 136 C CB . SER A 0 17 . 1.414 9.789 25.078 1.00 87.38 17 A 1 ATOM 137 O O . SER A 0 17 . 3.362 9.770 22.463 1.00 87.38 17 A 1 ATOM 138 O OG . SER A 0 17 . 1.833 10.940 25.788 1.00 87.38 17 A 1 ATOM 139 N N . LEU A 0 18 . 4.496 10.447 24.282 1.00 87.38 18 A 1 ATOM 140 C CA . LEU A 0 18 . 5.490 11.228 23.544 1.00 87.38 18 A 1 ATOM 141 C C . LEU A 0 18 . 6.359 10.330 22.644 1.00 87.38 18 A 1 ATOM 142 C CB . LEU A 0 18 . 6.357 12.007 24.549 1.00 87.38 18 A 1 ATOM 143 O O . LEU A 0 18 . 6.612 10.673 21.493 1.00 87.38 18 A 1 ATOM 144 C CG . LEU A 0 18 . 7.061 13.216 23.900 1.00 87.38 18 A 1 ATOM 145 C CD1 . LEU A 0 18 . 6.249 14.493 24.133 1.00 87.38 18 A 1 ATOM 146 C CD2 . LEU A 0 18 . 8.456 13.414 24.489 1.00 87.38 18 A 1 ATOM 147 N N . LEU A 0 19 . 6.766 9.164 23.156 1.00 87.74 19 A 1 ATOM 148 C CA . LEU A 0 19 . 7.551 8.153 22.434 1.00 87.74 19 A 1 ATOM 149 C C . LEU A 0 19 . 6.783 7.520 21.265 1.00 87.74 19 A 1 ATOM 150 C CB . LEU A 0 19 . 7.986 7.071 23.445 1.00 87.74 19 A 1 ATOM 151 O O . LEU A 0 19 . 7.357 7.246 20.212 1.00 87.74 19 A 1 ATOM 152 C CG . LEU A 0 19 . 9.494 7.102 23.738 1.00 87.74 19 A 1 ATOM 153 C CD1 . LEU A 0 19 . 9.779 6.545 25.132 1.00 87.74 19 A 1 ATOM 154 C CD2 . LEU A 0 19 . 10.254 6.266 22.706 1.00 87.74 19 A 1 ATOM 155 N N . LEU A 0 20 . 5.484 7.275 21.437 1.00 86.14 20 A 1 ATOM 156 C CA . LEU A 0 20 . 4.628 6.787 20.353 1.00 86.14 20 A 1 ATOM 157 C C . LEU A 0 20 . 4.419 7.864 19.285 1.00 86.14 20 A 1 ATOM 158 C CB . LEU A 0 20 . 3.287 6.313 20.935 1.00 86.14 20 A 1 ATOM 159 O O . LEU A 0 20 . 4.497 7.569 18.093 1.00 86.14 20 A 1 ATOM 160 C CG . LEU A 0 20 . 3.371 4.946 21.636 1.00 86.14 20 A 1 ATOM 161 C CD1 . LEU A 0 20 . 2.083 4.696 22.421 1.00 86.14 20 A 1 ATOM 162 C CD2 . LEU A 0 20 . 3.543 3.802 20.631 1.00 86.14 20 A 1 ATOM 163 N N . PHE A 0 21 . 4.205 9.113 19.706 1.00 83.99 21 A 1 ATOM 164 C CA . PHE A 0 21 . 4.029 10.238 18.794 1.00 83.99 21 A 1 ATOM 165 C C . PHE A 0 21 . 5.283 10.494 17.951 1.00 83.99 21 A 1 ATOM 166 C CB . PHE A 0 21 . 3.629 11.482 19.594 1.00 83.99 21 A 1 ATOM 167 O O . PHE A 0 21 . 5.176 10.658 16.738 1.00 83.99 21 A 1 ATOM 168 C CG . PHE A 0 21 . 3.313 12.673 18.715 1.00 83.99 21 A 1 ATOM 169 C CD1 . PHE A 0 21 . 4.289 13.657 18.469 1.00 83.99 21 A 1 ATOM 170 C CD2 . PHE A 0 21 . 2.047 12.776 18.110 1.00 83.99 21 A 1 ATOM 171 C CE1 . PHE A 0 21 . 3.995 14.745 17.628 1.00 83.99 21 A 1 ATOM 172 C CE2 . PHE A 0 21 . 1.755 13.862 17.267 1.00 83.99 21 A 1 ATOM 173 C CZ . PHE A 0 21 . 2.729 14.846 17.025 1.00 83.99 21 A 1 ATOM 174 N N . SER A 0 22 . 6.475 10.471 18.556 1.00 83.13 22 A 1 ATOM 175 C CA . SER A 0 22 . 7.725 10.661 17.815 1.00 83.13 22 A 1 ATOM 176 C C . SER A 0 22 . 7.980 9.542 16.804 1.00 83.13 22 A 1 ATOM 177 C CB . SER A 0 22 . 8.915 10.808 18.765 1.00 83.13 22 A 1 ATOM 178 O O . SER A 0 22 . 8.369 9.833 15.678 1.00 83.13 22 A 1 ATOM 179 O OG . SER A 0 22 . 9.122 9.627 19.513 1.00 83.13 22 A 1 ATOM 180 N N . ASN A 0 23 . 7.699 8.280 17.148 1.00 79.27 23 A 1 ATOM 181 C CA . ASN A 0 23 . 7.822 7.163 16.206 1.00 79.27 23 A 1 ATOM 182 C C . ASN A 0 23 . 6.855 7.284 15.023 1.00 79.27 23 A 1 ATOM 183 C CB . ASN A 0 23 . 7.611 5.836 16.945 1.00 79.27 23 A 1 ATOM 184 O O . ASN A 0 23 . 7.259 7.079 13.881 1.00 79.27 23 A 1 ATOM 185 C CG . ASN A 0 23 . 8.892 5.347 17.584 1.00 79.27 23 A 1 ATOM 186 N ND2 . ASN A 0 23 . 8.912 5.169 18.880 1.00 79.27 23 A 1 ATOM 187 O OD1 . ASN A 0 23 . 9.893 5.127 16.930 1.00 79.27 23 A 1 ATOM 188 N N . LEU A 0 24 . 5.599 7.665 15.271 1.00 77.73 24 A 1 ATOM 189 C CA . LEU A 0 24 . 4.635 7.938 14.199 1.00 77.73 24 A 1 ATOM 190 C C . LEU A 0 24 . 5.104 9.071 13.282 1.00 77.73 24 A 1 ATOM 191 C CB . LEU A 0 24 . 3.274 8.289 14.822 1.00 77.73 24 A 1 ATOM 192 O O . LEU A 0 24 . 4.930 8.991 12.069 1.00 77.73 24 A 1 ATOM 193 C CG . LEU A 0 24 . 2.444 7.047 15.179 1.00 77.73 24 A 1 ATOM 194 C CD1 . LEU A 0 24 . 1.327 7.431 16.149 1.00 77.73 24 A 1 ATOM 195 C CD2 . LEU A 0 24 . 1.804 6.433 13.929 1.00 77.73 24 A 1 ATOM 196 N N . LEU A 0 25 . 5.723 10.102 13.854 1.00 74.60 25 A 1 ATOM 197 C CA . LEU A 0 25 . 6.250 11.243 13.114 1.00 74.60 25 A 1 ATOM 198 C C . LEU A 0 25 . 7.488 10.859 12.285 1.00 74.60 25 A 1 ATOM 199 C CB . LEU A 0 25 . 6.471 12.371 14.138 1.00 74.60 25 A 1 ATOM 200 O O . LEU A 0 25 . 7.612 11.282 11.141 1.00 74.60 25 A 1 ATOM 201 C CG . LEU A 0 25 . 6.515 13.784 13.535 1.00 74.60 25 A 1 ATOM 202 C CD1 . LEU A 0 25 . 5.979 14.798 14.547 1.00 74.60 25 A 1 ATOM 203 C CD2 . LEU A 0 25 . 7.937 14.197 13.187 1.00 74.60 25 A 1 ATOM 204 N N . ILE A 0 26 . 8.363 9.991 12.801 1.00 72.11 26 A 1 ATOM 205 C CA . ILE A 0 26 . 9.488 9.426 12.035 1.00 72.11 26 A 1 ATOM 206 C C . ILE A 0 26 . 8.971 8.602 10.848 1.00 72.11 26 A 1 ATOM 207 C CB . ILE A 0 26 . 10.413 8.600 12.960 1.00 72.11 26 A 1 ATOM 208 O O . ILE A 0 26 . 9.444 8.789 9.729 1.00 72.11 26 A 1 ATOM 209 C CG1 . ILE A 0 26 . 11.144 9.531 13.956 1.00 72.11 26 A 1 ATOM 210 C CG2 . ILE A 0 26 . 11.456 7.800 12.152 1.00 72.11 26 A 1 ATOM 211 C CD1 . ILE A 0 26 . 11.751 8.794 15.157 1.00 72.11 26 A 1 ATOM 212 N N . ILE A 0 27 . 7.965 7.749 11.068 1.00 68.91 27 A 1 ATOM 213 C CA . ILE A 0 27 . 7.339 6.943 10.008 1.00 68.91 27 A 1 ATOM 214 C C . ILE A 0 27 . 6.643 7.836 8.971 1.00 68.91 27 A 1 ATOM 215 C CB . ILE A 0 27 . 6.364 5.912 10.628 1.00 68.91 27 A 1 ATOM 216 O O . ILE A 0 27 . 6.683 7.531 7.780 1.00 68.91 27 A 1 ATOM 217 C CG1 . ILE A 0 27 . 7.134 4.866 11.469 1.00 68.91 27 A 1 ATOM 218 C CG2 . ILE A 0 27 . 5.542 5.186 9.542 1.00 68.91 27 A 1 ATOM 219 C CD1 . ILE A 0 27 . 6.239 4.053 12.414 1.00 68.91 27 A 1 ATOM 220 N N . SER A 0 28 . 6.018 8.945 9.387 1.00 64.80 28 A 1 ATOM 221 C CA . SER A 0 28 . 5.353 9.856 8.450 1.00 64.80 28 A 1 ATOM 222 C C . SER A 0 28 . 6.346 10.663 7.610 1.00 64.80 28 A 1 ATOM 223 C CB . SER A 0 28 . 4.341 10.768 9.154 1.00 64.80 28 A 1 ATOM 224 O O . SER A 0 28 . 6.116 10.823 6.414 1.00 64.80 28 A 1 ATOM 225 O OG . SER A 0 28 . 4.934 11.931 9.695 1.00 64.80 28 A 1 ATOM 226 N N . ILE A 0 29 . 7.463 11.117 8.198 1.00 60.61 29 A 1 ATOM 227 C CA . ILE A 0 29 . 8.515 11.860 7.486 1.00 60.61 29 A 1 ATOM 228 C C . ILE A 0 29 . 9.276 10.952 6.525 1.00 60.61 29 A 1 ATOM 229 C CB . ILE A 0 29 . 9.488 12.545 8.477 1.00 60.61 29 A 1 ATOM 230 O O . ILE A 0 29 . 9.524 11.338 5.385 1.00 60.61 29 A 1 ATOM 231 C CG1 . ILE A 0 29 . 8.766 13.706 9.194 1.00 60.61 29 A 1 ATOM 232 C CG2 . ILE A 0 29 . 10.750 13.080 7.760 1.00 60.61 29 A 1 ATOM 233 C CD1 . ILE A 0 29 . 9.627 14.418 10.244 1.00 60.61 29 A 1 ATOM 234 N N . GLN A 0 30 . 9.672 9.759 6.971 1.00 58.77 30 A 1 ATOM 235 C CA . GLN A 0 30 . 10.412 8.831 6.114 1.00 58.77 30 A 1 ATOM 236 C C . GLN A 0 30 . 9.510 8.188 5.053 1.00 58.77 30 A 1 ATOM 237 C CB . GLN A 0 30 . 11.145 7.791 6.978 1.00 58.77 30 A 1 ATOM 238 O O . GLN A 0 30 . 10.009 7.641 4.070 1.00 58.77 30 A 1 ATOM 239 C CG . GLN A 0 30 . 12.286 8.460 7.766 1.00 58.77 30 A 1 ATOM 240 C CD . GLN A 0 30 . 13.172 7.476 8.523 1.00 58.77 30 A 1 ATOM 241 N NE2 . GLN A 0 30 . 14.409 7.835 8.794 1.00 58.77 30 A 1 ATOM 242 O OE1 . GLN A 0 30 . 12.794 6.382 8.902 1.00 58.77 30 A 1 ATOM 243 N N . GLY A 0 31 . 8.188 8.258 5.231 1.00 50.74 31 A 1 ATOM 244 C CA . GLY A 0 31 . 7.267 7.361 4.555 1.00 50.74 31 A 1 ATOM 245 C C . GLY A 0 31 . 7.521 5.916 4.993 1.00 50.74 31 A 1 ATOM 246 O O . GLY A 0 31 . 8.565 5.561 5.543 1.00 50.74 31 A 1 ATOM 247 N N . VAL A 0 32 . 6.563 5.028 4.741 1.00 52.78 32 A 1 ATOM 248 C CA . VAL A 0 32 . 6.801 3.590 4.907 1.00 52.78 32 A 1 ATOM 249 C C . VAL A 0 32 . 7.754 3.150 3.793 1.00 52.78 32 A 1 ATOM 250 C CB . VAL A 0 32 . 5.484 2.793 4.934 1.00 52.78 32 A 1 ATOM 251 O O . VAL A 0 32 . 7.321 2.729 2.720 1.00 52.78 32 A 1 ATOM 252 C CG1 . VAL A 0 32 . 5.735 1.300 5.179 1.00 52.78 32 A 1 ATOM 253 C CG2 . VAL A 0 32 . 4.563 3.283 6.061 1.00 52.78 32 A 1 ATOM 254 N N . VAL A 0 33 . 9.060 3.278 4.034 1.00 49.34 33 A 1 ATOM 255 C CA . VAL A 0 33 . 10.104 2.697 3.190 1.00 49.34 33 A 1 ATOM 256 C C . VAL A 0 33 . 10.041 1.192 3.405 1.00 49.34 33 A 1 ATOM 257 C CB . VAL A 0 33 . 11.507 3.271 3.488 1.00 49.34 33 A 1 ATOM 258 O O . VAL A 0 33 . 10.682 0.637 4.294 1.00 49.34 33 A 1 ATOM 259 C CG1 . VAL A 0 33 . 12.546 2.709 2.507 1.00 49.34 33 A 1 ATOM 260 C CG2 . VAL A 0 33 . 11.526 4.797 3.358 1.00 49.34 33 A 1 ATOM 261 N N . ILE A 0 34 . 9.197 0.520 2.625 1.00 53.83 34 A 1 ATOM 262 C CA . ILE A 0 34 . 9.284 -0.929 2.495 1.00 53.83 34 A 1 ATOM 263 C C . ILE A 0 34 . 10.602 -1.182 1.768 1.00 53.83 34 A 1 ATOM 264 C CB . ILE A 0 34 . 8.079 -1.532 1.746 1.00 53.83 34 A 1 ATOM 265 O O . ILE A 0 34 . 10.740 -0.698 0.642 1.00 53.83 34 A 1 ATOM 266 C CG1 . ILE A 0 34 . 6.783 -1.100 2.468 1.00 53.83 34 A 1 ATOM 267 C CG2 . ILE A 0 34 . 8.228 -3.065 1.667 1.00 53.83 34 A 1 ATOM 268 C CD1 . ILE A 0 34 . 5.519 -1.837 2.030 1.00 53.83 34 A 1 ATOM 269 N N . PRO A 0 35 . 11.575 -1.876 2.380 1.00 49.96 35 A 1 ATOM 270 C CA . PRO A 0 35 . 12.807 -2.201 1.689 1.00 49.96 35 A 1 ATOM 271 C C . PRO A 0 35 . 12.437 -3.041 0.464 1.00 49.96 35 A 1 ATOM 272 C CB . PRO A 0 35 . 13.684 -2.925 2.717 1.00 49.96 35 A 1 ATOM 273 O O . PRO A 0 35 . 11.918 -4.152 0.591 1.00 49.96 35 A 1 ATOM 274 C CG . PRO A 0 35 . 12.689 -3.480 3.737 1.00 49.96 35 A 1 ATOM 275 C CD . PRO A 0 35 . 11.535 -2.484 3.701 1.00 49.96 35 A 1 ATOM 276 N N . GLU A 0 36 . 12.640 -2.476 -0.728 1.00 50.36 36 A 1 ATOM 277 C CA . GLU A 0 36 . 12.570 -3.212 -1.985 1.00 50.36 36 A 1 ATOM 278 C C . GLU A 0 36 . 13.704 -4.236 -1.943 1.00 50.36 36 A 1 ATOM 279 C CB . GLU A 0 36 . 12.663 -2.267 -3.202 1.00 50.36 36 A 1 ATOM 280 O O . GLU A 0 36 . 14.856 -3.937 -2.237 1.00 50.36 36 A 1 ATOM 281 C CG . GLU A 0 36 . 11.352 -1.497 -3.454 1.00 50.36 36 A 1 ATOM 282 C CD . GLU A 0 36 . 11.404 -0.547 -4.670 1.00 50.36 36 A 1 ATOM 283 O OE1 . GLU A 0 36 . 10.494 0.307 -4.799 1.00 50.36 36 A 1 ATOM 284 O OE2 . GLU A 0 36 . 12.368 -0.584 -5.460 1.00 50.36 36 A 1 ATOM 285 N N . ALA A 0 37 . 13.385 -5.446 -1.480 1.00 53.50 37 A 1 ATOM 286 C CA . ALA A 0 37 . 14.361 -6.513 -1.295 1.00 53.50 37 A 1 ATOM 287 C C . ALA A 0 37 . 14.974 -7.000 -2.621 1.00 53.50 37 A 1 ATOM 288 C CB . ALA A 0 37 . 13.695 -7.644 -0.498 1.00 53.50 37 A 1 ATOM 289 O O . ALA A 0 37 . 15.912 -7.782 -2.585 1.00 53.50 37 A 1 ATOM 290 N N . ASN A 0 38 . 14.479 -6.533 -3.772 1.00 52.62 38 A 1 ATOM 291 C CA . ASN A 0 38 . 15.014 -6.808 -5.099 1.00 52.62 38 A 1 ATOM 292 C C . ASN A 0 38 . 14.813 -5.580 -6.001 1.00 52.62 38 A 1 ATOM 293 C CB . ASN A 0 38 . 14.287 -8.030 -5.685 1.00 52.62 38 A 1 ATOM 294 O O . ASN A 0 38 . 13.792 -4.905 -5.849 1.00 52.62 38 A 1 ATOM 295 C CG . ASN A 0 38 . 14.698 -9.328 -5.016 1.00 52.62 38 A 1 ATOM 296 N ND2 . ASN A 0 38 . 13.772 -10.219 -4.752 1.00 52.62 38 A 1 ATOM 297 O OD1 . ASN A 0 38 . 15.856 -9.596 -4.769 1.00 52.62 38 A 1 ATOM 298 N N . PRO A 0 39 . 15.722 -5.305 -6.958 1.00 56.00 39 A 1 ATOM 299 C CA . PRO A 0 39 . 15.500 -4.278 -7.968 1.00 56.00 39 A 1 ATOM 300 C C . PRO A 0 39 . 14.280 -4.668 -8.808 1.00 56.00 39 A 1 ATOM 301 C CB . PRO A 0 39 . 16.800 -4.195 -8.774 1.00 56.00 39 A 1 ATOM 302 O O . PRO A 0 39 . 14.325 -5.574 -9.636 1.00 56.00 39 A 1 ATOM 303 C CG . PRO A 0 39 . 17.421 -5.581 -8.609 1.00 56.00 39 A 1 ATOM 304 C CD . PRO A 0 39 . 16.954 -6.030 -7.225 1.00 56.00 39 A 1 ATOM 305 N N . ILE A 0 40 . 13.167 -4.002 -8.529 1.00 63.38 40 A 1 ATOM 306 C CA . ILE A 0 40 . 11.929 -4.069 -9.297 1.00 63.38 40 A 1 ATOM 307 C C . ILE A 0 40 . 12.095 -3.085 -10.459 1.00 63.38 40 A 1 ATOM 308 C CB . ILE A 0 40 . 10.759 -3.789 -8.320 1.00 63.38 40 A 1 ATOM 309 O O . ILE A 0 40 . 12.508 -1.941 -10.255 1.00 63.38 40 A 1 ATOM 310 C CG1 . ILE A 0 40 . 10.467 -5.079 -7.516 1.00 63.38 40 A 1 ATOM 311 C CG2 . ILE A 0 40 . 9.459 -3.301 -8.957 1.00 63.38 40 A 1 ATOM 312 C CD1 . ILE A 0 40 . 9.367 -4.936 -6.456 1.00 63.38 40 A 1 ATOM 313 N N . ASP A 0 41 . 11.835 -3.528 -11.690 1.00 70.49 41 A 1 ATOM 314 C CA . ASP A 0 41 . 11.903 -2.641 -12.848 1.00 70.49 41 A 1 ATOM 315 C C . ASP A 0 41 . 10.887 -1.493 -12.705 1.00 70.49 41 A 1 ATOM 316 C CB . ASP A 0 41 . 11.753 -3.429 -14.160 1.00 70.49 41 A 1 ATOM 317 O O . ASP A 0 41 . 9.826 -1.630 -12.096 1.00 70.49 41 A 1 ATOM 318 C CG . ASP A 0 41 . 10.359 -4.028 -14.336 1.00 70.49 41 A 1 ATOM 319 O OD1 . ASP A 0 41 . 10.032 -4.982 -13.599 1.00 70.49 41 A 1 ATOM 320 O OD2 . ASP A 0 41 . 9.590 -3.497 -15.162 1.00 70.49 41 A 1 ATOM 321 N N . TYR A 0 42 . 11.214 -0.318 -13.243 1.00 67.46 42 A 1 ATOM 322 C CA . TYR A 0 42 . 10.436 0.908 -13.023 1.00 67.46 42 A 1 ATOM 323 C C . TYR A 0 42 . 8.929 0.746 -13.316 1.00 67.46 42 A 1 ATOM 324 C CB . TYR A 0 42 . 11.053 2.004 -13.902 1.00 67.46 42 A 1 ATOM 325 O O . TYR A 0 42 . 8.086 1.317 -12.615 1.00 67.46 42 A 1 ATOM 326 C CG . TYR A 0 42 . 10.310 3.321 -13.862 1.00 67.46 42 A 1 ATOM 327 C CD1 . TYR A 0 42 . 9.372 3.626 -14.867 1.00 67.46 42 A 1 ATOM 328 C CD2 . TYR A 0 42 . 10.552 4.235 -12.818 1.00 67.46 42 A 1 ATOM 329 C CE1 . TYR A 0 42 . 8.674 4.846 -14.828 1.00 67.46 42 A 1 ATOM 330 C CE2 . TYR A 0 42 . 9.854 5.457 -12.776 1.00 67.46 42 A 1 ATOM 331 O OH . TYR A 0 42 . 8.217 6.927 -13.743 1.00 67.46 42 A 1 ATOM 332 C CZ . TYR A 0 42 . 8.911 5.760 -13.782 1.00 67.46 42 A 1 ATOM 333 N N . GLN A 0 43 . 8.580 -0.075 -14.312 1.00 66.13 43 A 1 ATOM 334 C CA . GLN A 0 43 . 7.193 -0.363 -14.675 1.00 66.13 43 A 1 ATOM 335 C C . GLN A 0 43 . 6.473 -1.184 -13.604 1.00 66.13 43 A 1 ATOM 336 C CB . GLN A 0 43 . 7.163 -1.107 -16.020 1.00 66.13 43 A 1 ATOM 337 O O . GLN A 0 43 . 5.368 -0.832 -13.181 1.00 66.13 43 A 1 ATOM 338 C CG . GLN A 0 43 . 7.477 -0.205 -17.219 1.00 66.13 43 A 1 ATOM 339 C CD . GLN A 0 43 . 6.341 0.759 -17.546 1.00 66.13 43 A 1 ATOM 340 N NE2 . GLN A 0 43 . 6.439 1.484 -18.631 1.00 66.13 43 A 1 ATOM 341 O OE1 . GLN A 0 43 . 5.356 0.900 -16.840 1.00 66.13 43 A 1 ATOM 342 N N . SER A 0 44 . 7.101 -2.250 -13.107 1.00 70.90 44 A 1 ATOM 343 C CA . SER A 0 44 . 6.514 -3.058 -12.039 1.00 70.90 44 A 1 ATOM 344 C C . SER A 0 44 . 6.436 -2.294 -10.710 1.00 70.90 44 A 1 ATOM 345 C CB . SER A 0 44 . 7.236 -4.399 -11.929 1.00 70.90 44 A 1 ATOM 346 O O . SER A 0 44 . 5.468 -2.482 -9.961 1.00 70.90 44 A 1 ATOM 347 O OG . SER A 0 44 . 8.600 -4.217 -11.696 1.00 70.90 44 A 1 ATOM 348 N N . LYS A 0 45 . 7.339 -1.336 -10.458 1.00 74.03 45 A 1 ATOM 349 C CA . LYS A 0 45 . 7.238 -0.403 -9.323 1.00 74.03 45 A 1 ATOM 350 C C . LYS A 0 45 . 6.007 0.497 -9.429 1.00 74.03 45 A 1 ATOM 351 C CB . LYS A 0 45 . 8.531 0.408 -9.185 1.00 74.03 45 A 1 ATOM 352 O O . LYS A 0 45 . 5.172 0.473 -8.525 1.00 74.03 45 A 1 ATOM 353 C CG . LYS A 0 45 . 8.455 1.338 -7.967 1.00 74.03 45 A 1 ATOM 354 C CD . LYS A 0 45 . 9.811 1.989 -7.724 1.00 74.03 45 A 1 ATOM 355 C CE . LYS A 0 45 . 9.713 2.905 -6.507 1.00 74.03 45 A 1 ATOM 356 N NZ . LYS A 0 45 . 10.974 2.845 -5.748 1.00 74.03 45 A 1 ATOM 357 N N . ARG A 0 46 . 5.822 1.203 -10.557 1.00 70.15 46 A 1 ATOM 358 C CA . ARG A 0 46 . 4.616 2.028 -10.799 1.00 70.15 46 A 1 ATOM 359 C C . ARG A 0 46 . 3.338 1.219 -10.632 1.00 70.15 46 A 1 ATOM 360 C CB . ARG A 0 46 . 4.628 2.646 -12.211 1.00 70.15 46 A 1 ATOM 361 O O . ARG A 0 46 . 2.369 1.713 -10.061 1.00 70.15 46 A 1 ATOM 362 C CG . ARG A 0 46 . 5.307 4.020 -12.246 1.00 70.15 46 A 1 ATOM 363 C CD . ARG A 0 46 . 5.217 4.665 -13.642 1.00 70.15 46 A 1 ATOM 364 N NE . ARG A 0 46 . 4.115 5.645 -13.782 1.00 70.15 46 A 1 ATOM 365 N NH1 . ARG A 0 46 . 4.466 6.126 -16.007 1.00 70.15 46 A 1 ATOM 366 N NH2 . ARG A 0 46 . 2.900 7.238 -14.897 1.00 70.15 46 A 1 ATOM 367 C CZ . ARG A 0 46 . 3.836 6.331 -14.885 1.00 70.15 46 A 1 ATOM 368 N N . TRP A 0 47 . 3.331 -0.027 -11.101 1.00 72.85 47 A 1 ATOM 369 C CA . TRP A 0 47 . 2.153 -0.880 -10.998 1.00 72.85 47 A 1 ATOM 370 C C . TRP A 0 47 . 1.839 -1.312 -9.566 1.00 72.85 47 A 1 ATOM 371 C CB . TRP A 0 47 . 2.305 -2.064 -11.960 1.00 72.85 47 A 1 ATOM 372 O O . TRP A 0 47 . 0.675 -1.366 -9.160 1.00 72.85 47 A 1 ATOM 373 C CG . TRP A 0 47 . 1.022 -2.688 -12.407 1.00 72.85 47 A 1 ATOM 374 C CD1 . TRP A 0 47 . 0.811 -4.009 -12.598 1.00 72.85 47 A 1 ATOM 375 C CD2 . TRP A 0 47 . -0.209 -2.021 -12.819 1.00 72.85 47 A 1 ATOM 376 C CE2 . TRP A 0 47 . -1.146 -3.022 -13.217 1.00 72.85 47 A 1 ATOM 377 C CE3 . TRP A 0 47 . -0.641 -0.682 -12.907 1.00 72.85 47 A 1 ATOM 378 N NE1 . TRP A 0 47 . -0.461 -4.210 -13.098 1.00 72.85 47 A 1 ATOM 379 C CH2 . TRP A 0 47 . -2.871 -1.388 -13.606 1.00 72.85 47 A 1 ATOM 380 C CZ2 . TRP A 0 47 . -2.448 -2.721 -13.638 1.00 72.85 47 A 1 ATOM 381 C CZ3 . TRP A 0 47 . -1.967 -0.385 -13.229 1.00 72.85 47 A 1 ATOM 382 N N . THR A 0 48 . 2.880 -1.565 -8.778 1.00 71.36 48 A 1 ATOM 383 C CA . THR A 0 48 . 2.752 -1.896 -7.359 1.00 71.36 48 A 1 ATOM 384 C C . THR A 0 48 . 2.281 -0.688 -6.551 1.00 71.36 48 A 1 ATOM 385 C CB . THR A 0 48 . 4.076 -2.447 -6.814 1.00 71.36 48 A 1 ATOM 386 O O . THR A 0 48 . 1.359 -0.825 -5.743 1.00 71.36 48 A 1 ATOM 387 C CG2 . THR A 0 48 . 3.894 -3.060 -5.425 1.00 71.36 48 A 1 ATOM 388 O OG1 . THR A 0 48 . 4.524 -3.499 -7.636 1.00 71.36 48 A 1 ATOM 389 N N . ASP A 0 49 . 2.839 0.494 -6.815 1.00 70.85 49 A 1 ATOM 390 C CA . ASP A 0 49 . 2.445 1.746 -6.165 1.00 70.85 49 A 1 ATOM 391 C C . ASP A 0 49 . 1.013 2.146 -6.528 1.00 70.85 49 A 1 ATOM 392 C CB . ASP A 0 49 . 3.439 2.861 -6.530 1.00 70.85 49 A 1 ATOM 393 O O . ASP A 0 49 . 0.234 2.497 -5.642 1.00 70.85 49 A 1 ATOM 394 C CG . ASP A 0 49 . 4.795 2.709 -5.829 1.00 70.85 49 A 1 ATOM 395 O OD1 . ASP A 0 49 . 4.843 1.999 -4.794 1.00 70.85 49 A 1 ATOM 396 O OD2 . ASP A 0 49 . 5.764 3.331 -6.318 1.00 70.85 49 A 1 ATOM 397 N N . PHE A 0 50 . 0.617 1.983 -7.795 1.00 72.45 50 A 1 ATOM 398 C CA . PHE A 0 50 . -0.758 2.188 -8.242 1.00 72.45 50 A 1 ATOM 399 C C . PHE A 0 50 . -1.734 1.295 -7.472 1.00 72.45 50 A 1 ATOM 400 C CB . PHE A 0 50 . -0.855 1.929 -9.748 1.00 72.45 50 A 1 ATOM 401 O O . PHE A 0 50 . -2.639 1.791 -6.804 1.00 72.45 50 A 1 ATOM 402 C CG . PHE A 0 50 . -2.256 2.121 -10.275 1.00 72.45 50 A 1 ATOM 403 C CD1 . PHE A 0 50 . -3.050 1.017 -10.637 1.00 72.45 50 A 1 ATOM 404 C CD2 . PHE A 0 50 . -2.762 3.427 -10.377 1.00 72.45 50 A 1 ATOM 405 C CE1 . PHE A 0 50 . -4.336 1.233 -11.159 1.00 72.45 50 A 1 ATOM 406 C CE2 . PHE A 0 50 . -4.062 3.638 -10.845 1.00 72.45 50 A 1 ATOM 407 C CZ . PHE A 0 50 . -4.834 2.546 -11.239 1.00 72.45 50 A 1 ATOM 408 N N . LYS A 0 51 . -1.512 -0.028 -7.466 1.00 69.78 51 A 1 ATOM 409 C CA . LYS A 0 51 . -2.355 -0.966 -6.703 1.00 69.78 51 A 1 ATOM 410 C C . LYS A 0 51 . -2.413 -0.621 -5.218 1.00 69.78 51 A 1 ATOM 411 C CB . LYS A 0 51 . -1.828 -2.396 -6.854 1.00 69.78 51 A 1 ATOM 412 O O . LYS A 0 51 . -3.444 -0.839 -4.580 1.00 69.78 51 A 1 ATOM 413 C CG . LYS A 0 51 . -2.170 -2.996 -8.220 1.00 69.78 51 A 1 ATOM 414 C CD . LYS A 0 51 . -1.719 -4.458 -8.256 1.00 69.78 51 A 1 ATOM 415 C CE . LYS A 0 51 . -2.041 -5.069 -9.620 1.00 69.78 51 A 1 ATOM 416 N NZ . LYS A 0 51 . -1.670 -6.505 -9.665 1.00 69.78 51 A 1 ATOM 417 N N . ARG A 0 52 . -1.312 -0.115 -4.657 1.00 68.82 52 A 1 ATOM 418 C CA . ARG A 0 52 . -1.251 0.305 -3.259 1.00 68.82 52 A 1 ATOM 419 C C . ARG A 0 52 . -2.127 1.540 -3.044 1.00 68.82 52 A 1 ATOM 420 C CB . ARG A 0 52 . 0.218 0.476 -2.837 1.00 68.82 52 A 1 ATOM 421 O O . ARG A 0 52 . -3.001 1.473 -2.190 1.00 68.82 52 A 1 ATOM 422 C CG . ARG A 0 52 . 0.389 0.405 -1.315 1.00 68.82 52 A 1 ATOM 423 C CD . ARG A 0 52 . 1.863 0.514 -0.901 1.00 68.82 52 A 1 ATOM 424 N NE . ARG A 0 52 . 2.638 -0.710 -1.196 1.00 68.82 52 A 1 ATOM 425 N NH1 . ARG A 0 52 . 4.667 0.090 -0.472 1.00 68.82 52 A 1 ATOM 426 N NH2 . ARG A 0 52 . 4.531 -1.971 -1.323 1.00 68.82 52 A 1 ATOM 427 C CZ . ARG A 0 52 . 3.937 -0.859 -0.991 1.00 68.82 52 A 1 ATOM 428 N N . ALA A 0 53 . -1.986 2.591 -3.849 1.00 68.69 53 A 1 ATOM 429 C CA . ALA A 0 53 . -2.808 3.803 -3.771 1.00 68.69 53 A 1 ATOM 430 C C . ALA A 0 53 . -4.315 3.510 -3.891 1.00 68.69 53 A 1 ATOM 431 C CB . ALA A 0 53 . -2.339 4.772 -4.862 1.00 68.69 53 A 1 ATOM 432 O O . ALA A 0 53 . -5.107 4.034 -3.110 1.00 68.69 53 A 1 ATOM 433 N N . ILE A 0 54 . -4.705 2.594 -4.785 1.00 66.66 54 A 1 ATOM 434 C CA . ILE A 0 54 . -6.102 2.153 -4.919 1.00 66.66 54 A 1 ATOM 435 C C . ILE A 0 54 . -6.622 1.547 -3.622 1.00 66.66 54 A 1 ATOM 436 C CB . ILE A 0 54 . -6.265 1.130 -6.057 1.00 66.66 54 A 1 ATOM 437 O O . ILE A 0 54 . -7.709 1.901 -3.172 1.00 66.66 54 A 1 ATOM 438 C CG1 . ILE A 0 54 . -5.912 1.838 -7.378 1.00 66.66 54 A 1 ATOM 439 C CG2 . ILE A 0 54 . -7.696 0.533 -6.028 1.00 66.66 54 A 1 ATOM 440 C CD1 . ILE A 0 54 . -6.104 0.967 -8.621 1.00 66.66 54 A 1 ATOM 441 N N . ARG A 0 55 . -5.849 0.646 -3.011 1.00 65.40 55 A 1 ATOM 442 C CA . ARG A 0 55 . -6.263 -0.051 -1.790 1.00 65.40 55 A 1 ATOM 443 C C . ARG A 0 55 . -6.531 0.926 -0.639 1.00 65.40 55 A 1 ATOM 444 C CB . ARG A 0 55 . -5.191 -1.087 -1.436 1.00 65.40 55 A 1 ATOM 445 O O . ARG A 0 55 . -7.401 0.675 0.183 1.00 65.40 55 A 1 ATOM 446 C CG . ARG A 0 55 . -5.753 -2.178 -0.517 1.00 65.40 55 A 1 ATOM 447 C CD . ARG A 0 55 . -4.664 -3.162 -0.076 1.00 65.40 55 A 1 ATOM 448 N NE . ARG A 0 55 . -4.099 -3.924 -1.209 1.00 65.40 55 A 1 ATOM 449 N NH1 . ARG A 0 55 . -2.752 -5.310 0.026 1.00 65.40 55 A 1 ATOM 450 N NH2 . ARG A 0 55 . -2.837 -5.547 -2.192 1.00 65.40 55 A 1 ATOM 451 C CZ . ARG A 0 55 . -3.234 -4.918 -1.122 1.00 65.40 55 A 1 ATOM 452 N N . TRP A 0 56 . -5.822 2.056 -0.603 1.00 54.94 56 A 1 ATOM 453 C CA . TRP A 0 56 . -6.073 3.138 0.357 1.00 54.94 56 A 1 ATOM 454 C C . TRP A 0 56 . -7.240 4.052 -0.049 1.00 54.94 56 A 1 ATOM 455 C CB . TRP A 0 56 . -4.780 3.930 0.573 1.00 54.94 56 A 1 ATOM 456 O O . TRP A 0 56 . -7.896 4.623 0.819 1.00 54.94 56 A 1 ATOM 457 C CG . TRP A 0 56 . -3.729 3.193 1.348 1.00 54.94 56 A 1 ATOM 458 C CD1 . TRP A 0 56 . -2.723 2.458 0.829 1.00 54.94 56 A 1 ATOM 459 C CD2 . TRP A 0 56 . -3.521 3.159 2.790 1.00 54.94 56 A 1 ATOM 460 C CE2 . TRP A 0 56 . -2.388 2.333 3.067 1.00 54.94 56 A 1 ATOM 461 C CE3 . TRP A 0 56 . -4.148 3.778 3.890 1.00 54.94 56 A 1 ATOM 462 N NE1 . TRP A 0 56 . -1.959 1.907 1.834 1.00 54.94 56 A 1 ATOM 463 C CH2 . TRP A 0 56 . -2.550 2.760 5.436 1.00 54.94 56 A 1 ATOM 464 C CZ2 . TRP A 0 56 . -1.905 2.123 4.364 1.00 54.94 56 A 1 ATOM 465 C CZ3 . TRP A 0 56 . -3.664 3.585 5.198 1.00 54.94 56 A 1 ATOM 466 N N . SER A 0 57 . -7.549 4.155 -1.345 1.00 58.80 57 A 1 ATOM 467 C CA . SER A 0 57 . -8.718 4.890 -1.857 1.00 58.80 57 A 1 ATOM 468 C C . SER A 0 57 . -10.061 4.183 -1.621 1.00 58.80 57 A 1 ATOM 469 C CB . SER A 0 57 . -8.536 5.229 -3.340 1.00 58.80 57 A 1 ATOM 470 O O . SER A 0 57 . -11.109 4.755 -1.904 1.00 58.80 57 A 1 ATOM 471 O OG . SER A 0 57 . -8.775 4.112 -4.174 1.00 58.80 57 A 1 ATOM 472 N N . GLU A 0 58 . -10.061 2.964 -1.065 1.00 54.37 58 A 1 ATOM 473 C CA . GLU A 0 58 . -11.280 2.228 -0.694 1.00 54.37 58 A 1 ATOM 474 C C . GLU A 0 58 . -12.069 2.870 0.472 1.00 54.37 58 A 1 ATOM 475 C CB . GLU A 0 58 . -10.958 0.743 -0.429 1.00 54.37 58 A 1 ATOM 476 O O . GLU A 0 58 . -13.163 2.407 0.800 1.00 54.37 58 A 1 ATOM 477 C CG . GLU A 0 58 . -10.547 0.002 -1.716 1.00 54.37 58 A 1 ATOM 478 C CD . GLU A 0 58 . -10.281 -1.504 -1.529 1.00 54.37 58 A 1 ATOM 479 O OE1 . GLU A 0 58 . -9.930 -2.149 -2.545 1.00 54.37 58 A 1 ATOM 480 O OE2 . GLU A 0 58 . -10.417 -2.016 -0.396 1.00 54.37 58 A 1 ATOM 481 N N . TYR A 0 59 . -11.588 3.982 1.043 1.00 45.46 59 A 1 ATOM 482 C CA . TYR A 0 59 . -12.391 4.885 1.883 1.00 45.46 59 A 1 ATOM 483 C C . TYR A 0 59 . -13.627 5.406 1.109 1.00 45.46 59 A 1 ATOM 484 C CB . TYR A 0 59 . -11.496 6.007 2.439 1.00 45.46 59 A 1 ATOM 485 O O . TYR A 0 59 . -13.575 5.542 -0.112 1.00 45.46 59 A 1 ATOM 486 C CG . TYR A 0 59 . -11.438 6.021 3.955 1.00 45.46 59 A 1 ATOM 487 C CD1 . TYR A 0 59 . -12.130 7.008 4.681 1.00 45.46 59 A 1 ATOM 488 C CD2 . TYR A 0 59 . -10.711 5.027 4.641 1.00 45.46 59 A 1 ATOM 489 C CE1 . TYR A 0 59 . -12.123 6.988 6.088 1.00 45.46 59 A 1 ATOM 490 C CE2 . TYR A 0 59 . -10.686 5.013 6.050 1.00 45.46 59 A 1 ATOM 491 O OH . TYR A 0 59 . -11.392 5.986 8.133 1.00 45.46 59 A 1 ATOM 492 C CZ . TYR A 0 59 . -11.401 5.992 6.775 1.00 45.46 59 A 1 ATOM 493 N N . PRO A 0 60 . -14.787 5.621 1.759 1.00 50.89 60 A 1 ATOM 494 C CA . PRO A 0 60 . -16.089 5.215 1.239 1.00 50.89 60 A 1 ATOM 495 C C . PRO A 0 60 . -16.598 6.137 0.128 1.00 50.89 60 A 1 ATOM 496 C CB . PRO A 0 60 . -17.011 5.179 2.464 1.00 50.89 60 A 1 ATOM 497 O O . PRO A 0 60 . -17.443 7.002 0.333 1.00 50.89 60 A 1 ATOM 498 C CG . PRO A 0 60 . -16.451 6.307 3.328 1.00 50.89 60 A 1 ATOM 499 C CD . PRO A 0 60 . -14.945 6.215 3.072 1.00 50.89 60 A 1 ATOM 500 N N . PHE A 0 61 . -16.127 5.909 -1.091 1.00 53.69 61 A 1 ATOM 501 C CA . PHE A 0 61 . -16.790 6.405 -2.287 1.00 53.69 61 A 1 ATOM 502 C C . PHE A 0 61 . -18.086 5.614 -2.509 1.00 53.69 61 A 1 ATOM 503 C CB . PHE A 0 61 . -15.826 6.340 -3.474 1.00 53.69 61 A 1 ATOM 504 O O . PHE A 0 61 . -18.059 4.381 -2.563 1.00 53.69 61 A 1 ATOM 505 C CG . PHE A 0 61 . -14.858 7.505 -3.500 1.00 53.69 61 A 1 ATOM 506 C CD1 . PHE A 0 61 . -15.269 8.738 -4.042 1.00 53.69 61 A 1 ATOM 507 C CD2 . PHE A 0 61 . -13.564 7.376 -2.961 1.00 53.69 61 A 1 ATOM 508 C CE1 . PHE A 0 61 . -14.388 9.834 -4.053 1.00 53.69 61 A 1 ATOM 509 C CE2 . PHE A 0 61 . -12.687 8.474 -2.966 1.00 53.69 61 A 1 ATOM 510 C CZ . PHE A 0 61 . -13.097 9.703 -3.513 1.00 53.69 61 A 1 ATOM 511 N N . THR A 0 62 . -19.200 6.332 -2.662 1.00 61.26 62 A 1 ATOM 512 C CA . THR A 0 62 . -20.590 5.849 -2.803 1.00 61.26 62 A 1 ATOM 513 C C . THR A 0 62 . -20.907 5.173 -4.144 1.00 61.26 62 A 1 ATOM 514 C CB . THR A 0 62 . -21.563 7.027 -2.585 1.00 61.26 62 A 1 ATOM 515 O O . THR A 0 62 . -22.062 4.860 -4.422 1.00 61.26 62 A 1 ATOM 516 C CG2 . THR A 0 62 . -21.674 7.409 -1.110 1.00 61.26 62 A 1 ATOM 517 O OG1 . THR A 0 62 . -21.086 8.168 -3.266 1.00 61.26 62 A 1 ATOM 518 N N . PHE A 0 63 . -19.905 4.925 -4.987 1.00 58.36 63 A 1 ATOM 519 C CA . PHE A 0 63 . -20.095 4.309 -6.299 1.00 58.36 63 A 1 ATOM 520 C C . PHE A 0 63 . -20.147 2.779 -6.231 1.00 58.36 63 A 1 ATOM 521 C CB . PHE A 0 63 . -19.023 4.810 -7.271 1.00 58.36 63 A 1 ATOM 522 O O . PHE A 0 63 . -19.447 2.151 -5.429 1.00 58.36 63 A 1 ATOM 523 C CG . PHE A 0 63 . -19.122 6.300 -7.531 1.00 58.36 63 A 1 ATOM 524 C CD1 . PHE A 0 63 . -20.154 6.800 -8.348 1.00 58.36 63 A 1 ATOM 525 C CD2 . PHE A 0 63 . -18.209 7.192 -6.938 1.00 58.36 63 A 1 ATOM 526 C CE1 . PHE A 0 63 . -20.272 8.183 -8.569 1.00 58.36 63 A 1 ATOM 527 C CE2 . PHE A 0 63 . -18.332 8.576 -7.151 1.00 58.36 63 A 1 ATOM 528 C CZ . PHE A 0 63 . -19.364 9.072 -7.967 1.00 58.36 63 A 1 ATOM 529 N N . THR A 0 64 . -20.948 2.184 -7.121 1.00 64.06 64 A 1 ATOM 530 C CA . THR A 0 64 . -21.054 0.732 -7.295 1.00 64.06 64 A 1 ATOM 531 C C . THR A 0 64 . -19.702 0.103 -7.670 1.00 64.06 64 A 1 ATOM 532 C CB . THR A 0 64 . -22.115 0.355 -8.346 1.00 64.06 64 A 1 ATOM 533 O O . THR A 0 64 . -18.855 0.758 -8.293 1.00 64.06 64 A 1 ATOM 534 C CG2 . THR A 0 64 . -23.533 0.559 -7.815 1.00 64.06 64 A 1 ATOM 535 O OG1 . THR A 0 64 . -21.976 1.162 -9.490 1.00 64.06 64 A 1 ATOM 536 N N . PRO A 0 65 . -19.463 -1.173 -7.309 1.00 64.26 65 A 1 ATOM 537 C CA . PRO A 0 65 . -18.176 -1.838 -7.527 1.00 64.26 65 A 1 ATOM 538 C C . PRO A 0 65 . -17.711 -1.878 -8.993 1.00 64.26 65 A 1 ATOM 539 C CB . PRO A 0 65 . -18.356 -3.259 -6.980 1.00 64.26 65 A 1 ATOM 540 O O . PRO A 0 65 . -16.503 -1.864 -9.240 1.00 64.26 65 A 1 ATOM 541 C CG . PRO A 0 65 . -19.481 -3.127 -5.958 1.00 64.26 65 A 1 ATOM 542 C CD . PRO A 0 65 . -20.362 -2.040 -6.557 1.00 64.26 65 A 1 ATOM 543 N N . GLU A 0 66 . -18.627 -1.933 -9.972 1.00 62.87 66 A 1 ATOM 544 C CA . GLU A 0 66 . -18.271 -1.867 -11.399 1.00 62.87 66 A 1 ATOM 545 C C . GLU A 0 66 . -17.688 -0.508 -11.799 1.00 62.87 66 A 1 ATOM 546 C CB . GLU A 0 66 . -19.479 -2.147 -12.309 1.00 62.87 66 A 1 ATOM 547 O O . GLU A 0 66 . -16.652 -0.459 -12.462 1.00 62.87 66 A 1 ATOM 548 C CG . GLU A 0 66 . -19.852 -3.631 -12.455 1.00 62.87 66 A 1 ATOM 549 C CD . GLU A 0 66 . -20.754 -4.167 -11.343 1.00 62.87 66 A 1 ATOM 550 O OE1 . GLU A 0 66 . -20.645 -5.383 -11.071 1.00 62.87 66 A 1 ATOM 551 O OE2 . GLU A 0 66 . -21.465 -3.350 -10.714 1.00 62.87 66 A 1 ATOM 552 N N . ILE A 0 67 . -18.313 0.591 -11.364 1.00 64.34 67 A 1 ATOM 553 C CA . ILE A 0 67 . -17.877 1.951 -11.710 1.00 64.34 67 A 1 ATOM 554 C C . ILE A 0 67 . -16.492 2.217 -11.117 1.00 64.34 67 A 1 ATOM 555 C CB . ILE A 0 67 . -18.927 2.988 -11.251 1.00 64.34 67 A 1 ATOM 556 O O . ILE A 0 67 . -15.612 2.730 -11.809 1.00 64.34 67 A 1 ATOM 557 C CG1 . ILE A 0 67 . -20.257 2.775 -12.011 1.00 64.34 67 A 1 ATOM 558 C CG2 . ILE A 0 67 . -18.409 4.417 -11.475 1.00 64.34 67 A 1 ATOM 559 C CD1 . ILE A 0 67 . -21.399 3.689 -11.544 1.00 64.34 67 A 1 ATOM 560 N N . LYS A 0 68 . -16.255 1.778 -9.871 1.00 62.72 68 A 1 ATOM 561 C CA . LYS A 0 68 . -14.921 1.840 -9.254 1.00 62.72 68 A 1 ATOM 562 C C . LYS A 0 68 . -13.881 1.131 -10.112 1.00 62.72 68 A 1 ATOM 563 C CB . LYS A 0 68 . -14.927 1.249 -7.835 1.00 62.72 68 A 1 ATOM 564 O O . LYS A 0 68 . -12.843 1.711 -10.403 1.00 62.72 68 A 1 ATOM 565 C CG . LYS A 0 68 . -15.564 2.211 -6.827 1.00 62.72 68 A 1 ATOM 566 C CD . LYS A 0 68 . -15.441 1.683 -5.390 1.00 62.72 68 A 1 ATOM 567 C CE . LYS A 0 68 . -16.138 2.679 -4.459 1.00 62.72 68 A 1 ATOM 568 N NZ . LYS A 0 68 . -16.091 2.285 -3.030 1.00 62.72 68 A 1 ATOM 569 N N . ARG A 0 69 . -14.158 -0.098 -10.562 1.00 65.21 69 A 1 ATOM 570 C CA . ARG A 0 69 . -13.213 -0.838 -11.409 1.00 65.21 69 A 1 ATOM 571 C C . ARG A 0 69 . -12.908 -0.092 -12.705 1.00 65.21 69 A 1 ATOM 572 C CB . ARG A 0 69 . -13.710 -2.269 -11.664 1.00 65.21 69 A 1 ATOM 573 O O . ARG A 0 69 . -11.740 -0.014 -13.060 1.00 65.21 69 A 1 ATOM 574 C CG . ARG A 0 69 . -13.365 -3.169 -10.468 1.00 65.21 69 A 1 ATOM 575 C CD . ARG A 0 69 . -13.684 -4.647 -10.730 1.00 65.21 69 A 1 ATOM 576 N NE . ARG A 0 69 . -15.004 -5.045 -10.209 1.00 65.21 69 A 1 ATOM 577 N NH1 . ARG A 0 69 . -14.804 -7.289 -10.663 1.00 65.21 69 A 1 ATOM 578 N NH2 . ARG A 0 69 . -16.627 -6.542 -9.624 1.00 65.21 69 A 1 ATOM 579 C CZ . ARG A 0 69 . -15.470 -6.283 -10.163 1.00 65.21 69 A 1 ATOM 580 N N . HIS A 0 70 . -13.904 0.482 -13.375 1.00 66.29 70 A 1 ATOM 581 C CA . HIS A 0 70 . -13.678 1.217 -14.623 1.00 66.29 70 A 1 ATOM 582 C C . HIS A 0 70 . -12.746 2.421 -14.452 1.00 66.29 70 A 1 ATOM 583 C CB . HIS A 0 70 . -15.019 1.597 -15.273 1.00 66.29 70 A 1 ATOM 584 O O . HIS A 0 70 . -11.714 2.468 -15.117 1.00 66.29 70 A 1 ATOM 585 C CG . HIS A 0 70 . -15.274 0.859 -16.563 1.00 66.29 70 A 1 ATOM 586 C CD2 . HIS A 0 70 . -15.925 1.348 -17.664 1.00 66.29 70 A 1 ATOM 587 N ND1 . HIS A 0 70 . -14.855 -0.417 -16.878 1.00 66.29 70 A 1 ATOM 588 C CE1 . HIS A 0 70 . -15.236 -0.683 -18.136 1.00 66.29 70 A 1 ATOM 589 N NE2 . HIS A 0 70 . -15.911 0.353 -18.648 1.00 66.29 70 A 1 ATOM 590 N N . TYR A 0 71 . -13.018 3.313 -13.496 1.00 64.12 71 A 1 ATOM 591 C CA . TYR A 0 71 . -12.152 4.477 -13.257 1.00 64.12 71 A 1 ATOM 592 C C . TYR A 0 71 . -10.719 4.085 -12.878 1.00 64.12 71 A 1 ATOM 593 C CB . TYR A 0 71 . -12.765 5.354 -12.159 1.00 64.12 71 A 1 ATOM 594 O O . TYR A 0 71 . -9.753 4.714 -13.306 1.00 64.12 71 A 1 ATOM 595 C CG . TYR A 0 71 . -13.870 6.253 -12.666 1.00 64.12 71 A 1 ATOM 596 C CD1 . TYR A 0 71 . -13.540 7.353 -13.479 1.00 64.12 71 A 1 ATOM 597 C CD2 . TYR A 0 71 . -15.215 5.998 -12.343 1.00 64.12 71 A 1 ATOM 598 C CE1 . TYR A 0 71 . -14.550 8.194 -13.978 1.00 64.12 71 A 1 ATOM 599 C CE2 . TYR A 0 71 . -16.229 6.840 -12.839 1.00 64.12 71 A 1 ATOM 600 O OH . TYR A 0 71 . -16.884 8.732 -14.144 1.00 64.12 71 A 1 ATOM 601 C CZ . TYR A 0 71 . -15.899 7.933 -13.662 1.00 64.12 71 A 1 ATOM 602 N N . LEU A 0 72 . -10.566 3.008 -12.106 1.00 65.13 72 A 1 ATOM 603 C CA . LEU A 0 72 . -9.255 2.493 -11.724 1.00 65.13 72 A 1 ATOM 604 C C . LEU A 0 72 . -8.518 1.876 -12.923 1.00 65.13 72 A 1 ATOM 605 C CB . LEU A 0 72 . -9.448 1.479 -10.586 1.00 65.13 72 A 1 ATOM 606 O O . LEU A 0 72 . -7.314 2.042 -13.066 1.00 65.13 72 A 1 ATOM 607 C CG . LEU A 0 72 . -10.022 2.098 -9.296 1.00 65.13 72 A 1 ATOM 608 C CD1 . LEU A 0 72 . -10.463 0.975 -8.349 1.00 65.13 72 A 1 ATOM 609 C CD2 . LEU A 0 72 . -9.019 2.958 -8.559 1.00 65.13 72 A 1 ATOM 610 N N . TYR A 0 73 . -9.207 1.185 -13.828 1.00 65.37 73 A 1 ATOM 611 C CA . TYR A 0 73 . -8.557 0.661 -15.031 1.00 65.37 73 A 1 ATOM 612 C C . TYR A 0 73 . -8.209 1.747 -16.051 1.00 65.37 73 A 1 ATOM 613 C CB . TYR A 0 73 . -9.391 -0.462 -15.656 1.00 65.37 73 A 1 ATOM 614 O O . TYR A 0 73 . -7.273 1.539 -16.817 1.00 65.37 73 A 1 ATOM 615 C CG . TYR A 0 73 . -9.185 -1.804 -14.978 1.00 65.37 73 A 1 ATOM 616 C CD1 . TYR A 0 73 . -7.944 -2.461 -15.091 1.00 65.37 73 A 1 ATOM 617 C CD2 . TYR A 0 73 . -10.226 -2.409 -14.253 1.00 65.37 73 A 1 ATOM 618 C CE1 . TYR A 0 73 . -7.738 -3.703 -14.459 1.00 65.37 73 A 1 ATOM 619 C CE2 . TYR A 0 73 . -10.023 -3.634 -13.596 1.00 65.37 73 A 1 ATOM 620 O OH . TYR A 0 73 . -8.601 -5.487 -13.096 1.00 65.37 73 A 1 ATOM 621 C CZ . TYR A 0 73 . -8.780 -4.285 -13.703 1.00 65.37 73 A 1 ATOM 622 N N . GLU A 0 74 . -8.894 2.890 -16.051 1.00 66.56 74 A 1 ATOM 623 C CA . GLU A 0 74 . -8.550 4.033 -16.908 1.00 66.56 74 A 1 ATOM 624 C C . GLU A 0 74 . -7.321 4.800 -16.407 1.00 66.56 74 A 1 ATOM 625 C CB . GLU A 0 74 . -9.746 4.983 -17.019 1.00 66.56 74 A 1 ATOM 626 O O . GLU A 0 74 . -6.501 5.227 -17.214 1.00 66.56 74 A 1 ATOM 627 C CG . GLU A 0 74 . -10.848 4.405 -17.917 1.00 66.56 74 A 1 ATOM 628 C CD . GLU A 0 74 . -12.038 5.360 -18.094 1.00 66.56 74 A 1 ATOM 629 O OE1 . GLU A 0 74 . -12.923 5.008 -18.904 1.00 66.56 74 A 1 ATOM 630 O OE2 . GLU A 0 74 . -12.066 6.417 -17.421 1.00 66.56 74 A 1 ATOM 631 N N . GLN A 0 75 . -7.148 4.927 -15.087 1.00 65.76 75 A 1 ATOM 632 C CA . GLN A 0 75 . -6.018 5.649 -14.481 1.00 65.76 75 A 1 ATOM 633 C C . GLN A 0 75 . -4.737 4.819 -14.348 1.00 65.76 75 A 1 ATOM 634 C CB . GLN A 0 75 . -6.430 6.211 -13.117 1.00 65.76 75 A 1 ATOM 635 O O . GLN A 0 75 . -3.746 5.282 -13.775 1.00 65.76 75 A 1 ATOM 636 C CG . GLN A 0 75 . -7.465 7.330 -13.261 1.00 65.76 75 A 1 ATOM 637 C CD . GLN A 0 75 . -7.780 8.001 -11.932 1.00 65.76 75 A 1 ATOM 638 N NE2 . GLN A 0 75 . -8.693 8.946 -11.924 1.00 65.76 75 A 1 ATOM 639 O OE1 . GLN A 0 75 . -7.220 7.718 -10.884 1.00 65.76 75 A 1 ATOM 640 N N . ARG A 0 76 . -4.739 3.579 -14.844 1.00 66.18 76 A 1 ATOM 641 C CA . ARG A 0 76 . -3.546 2.742 -14.795 1.00 66.18 76 A 1 ATOM 642 C C . ARG A 0 76 . -2.409 3.374 -15.602 1.00 66.18 76 A 1 ATOM 643 C CB . ARG A 0 76 . -3.845 1.328 -15.285 1.00 66.18 76 A 1 ATOM 644 O O . ARG A 0 76 . -2.645 3.745 -16.749 1.00 66.18 76 A 1 ATOM 645 C CG . ARG A 0 76 . -4.166 1.164 -16.767 1.00 66.18 76 A 1 ATOM 646 C CD . ARG A 0 76 . -4.627 -0.279 -16.970 1.00 66.18 76 A 1 ATOM 647 N NE . ARG A 0 76 . -4.949 -0.524 -18.377 1.00 66.18 76 A 1 ATOM 648 N NH1 . ARG A 0 76 . -5.124 -2.808 -18.260 1.00 66.18 76 A 1 ATOM 649 N NH2 . ARG A 0 76 . -5.499 -1.750 -20.197 1.00 66.18 76 A 1 ATOM 650 C CZ . ARG A 0 76 . -5.187 -1.691 -18.936 1.00 66.18 76 A 1 ATOM 651 N N . PRO A 0 77 . -1.178 3.441 -15.070 1.00 61.14 77 A 1 ATOM 652 C CA . PRO A 0 77 . -0.028 3.801 -15.889 1.00 61.14 77 A 1 ATOM 653 C C . PRO A 0 77 . 0.125 2.806 -17.049 1.00 61.14 77 A 1 ATOM 654 C CB . PRO A 0 77 . 1.167 3.830 -14.928 1.00 61.14 77 A 1 ATOM 655 O O . PRO A 0 77 . 0.128 1.589 -16.836 1.00 61.14 77 A 1 ATOM 656 C CG . PRO A 0 77 . 0.725 2.985 -13.735 1.00 61.14 77 A 1 ATOM 657 C CD . PRO A 0 77 . -0.781 3.206 -13.692 1.00 61.14 77 A 1 ATOM 658 N N . TYR A 0 78 . 0.219 3.322 -18.276 1.00 62.11 78 A 1 ATOM 659 C CA . TYR A 0 78 . 0.450 2.523 -19.476 1.00 62.11 78 A 1 ATOM 660 C C . TYR A 0 78 . 1.946 2.256 -19.655 1.00 62.11 78 A 1 ATOM 661 C CB . TYR A 0 78 . -0.163 3.198 -20.715 1.00 62.11 78 A 1 ATOM 662 O O . TYR A 0 78 . 2.796 3.087 -19.329 1.00 62.11 78 A 1 ATOM 663 C CG . TYR A 0 78 . -1.673 3.085 -20.801 1.00 62.11 78 A 1 ATOM 664 C CD1 . TYR A 0 78 . -2.260 1.985 -21.460 1.00 62.11 78 A 1 ATOM 665 C CD2 . TYR A 0 78 . -2.492 4.070 -20.218 1.00 62.11 78 A 1 ATOM 666 C CE1 . TYR A 0 78 . -3.661 1.864 -21.522 1.00 62.11 78 A 1 ATOM 667 C CE2 . TYR A 0 78 . -3.895 3.950 -20.269 1.00 62.11 78 A 1 ATOM 668 O OH . TYR A 0 78 . -5.828 2.685 -20.938 1.00 62.11 78 A 1 ATOM 669 C CZ . TYR A 0 78 . -4.479 2.842 -20.918 1.00 62.11 78 A 1 ATOM 670 N N . TYR A 0 79 . 2.278 1.103 -20.246 1.00 54.72 79 A 1 ATOM 671 C CA . TYR A 0 79 . 3.668 0.729 -20.547 1.00 54.72 79 A 1 ATOM 672 C C . TYR A 0 79 . 4.405 1.780 -21.402 1.00 54.72 79 A 1 ATOM 673 C CB . TYR A 0 79 . 3.709 -0.651 -21.227 1.00 54.72 79 A 1 ATOM 674 O O . TYR A 0 79 . 5.623 1.897 -21.311 1.00 54.72 79 A 1 ATOM 675 C CG . TYR A 0 79 . 4.154 -1.770 -20.304 1.00 54.72 79 A 1 ATOM 676 C CD1 . TYR A 0 79 . 5.530 -2.017 -20.125 1.00 54.72 79 A 1 ATOM 677 C CD2 . TYR A 0 79 . 3.206 -2.555 -19.619 1.00 54.72 79 A 1 ATOM 678 C CE1 . TYR A 0 79 . 5.962 -3.046 -19.266 1.00 54.72 79 A 1 ATOM 679 C CE2 . TYR A 0 79 . 3.634 -3.588 -18.762 1.00 54.72 79 A 1 ATOM 680 O OH . TYR A 0 79 . 5.417 -4.823 -17.743 1.00 54.72 79 A 1 ATOM 681 C CZ . TYR A 0 79 . 5.012 -3.833 -18.581 1.00 54.72 79 A 1 ATOM 682 N N . ASN A 0 80 . 3.667 2.577 -22.177 1.00 55.24 80 A 1 ATOM 683 C CA . ASN A 0 80 . 4.216 3.583 -23.085 1.00 55.24 80 A 1 ATOM 684 C C . ASN A 0 80 . 4.236 5.007 -22.506 1.00 55.24 80 A 1 ATOM 685 C CB . ASN A 0 80 . 3.456 3.515 -24.419 1.00 55.24 80 A 1 ATOM 686 O O . ASN A 0 80 . 4.646 5.923 -23.207 1.00 55.24 80 A 1 ATOM 687 C CG . ASN A 0 80 . 3.702 2.237 -25.199 1.00 55.24 80 A 1 ATOM 688 N ND2 . ASN A 0 80 . 3.051 2.088 -26.327 1.00 55.24 80 A 1 ATOM 689 O OD1 . ASN A 0 80 . 4.449 1.349 -24.825 1.00 55.24 80 A 1 ATOM 690 N N . ASP A 0 81 . 3.851 5.215 -21.242 1.00 56.26 81 A 1 ATOM 691 C CA . ASP A 0 81 . 3.908 6.547 -20.610 1.00 56.26 81 A 1 ATOM 692 C C . ASP A 0 81 . 5.347 6.992 -20.285 1.00 56.26 81 A 1 ATOM 693 C CB . ASP A 0 81 . 3.047 6.576 -19.338 1.00 56.26 81 A 1 ATOM 694 O O . ASP A 0 81 . 5.562 8.047 -19.687 1.00 56.26 81 A 1 ATOM 695 C CG . ASP A 0 81 . 1.545 6.434 -19.580 1.00 56.26 81 A 1 ATOM 696 O OD1 . ASP A 0 81 . 1.085 6.652 -20.720 1.00 56.26 81 A 1 ATOM 697 O OD2 . ASP A 0 81 . 0.867 6.094 -18.581 1.00 56.26 81 A 1 ATOM 698 N N . ILE A 0 82 . 6.345 6.176 -20.637 1.00 51.03 82 A 1 ATOM 699 C CA . ILE A 0 82 . 7.744 6.585 -20.632 1.00 51.03 82 A 1 ATOM 700 C C . ILE A 0 82 . 7.940 7.455 -21.873 1.00 51.03 82 A 1 ATOM 701 C CB . ILE A 0 82 . 8.697 5.368 -20.581 1.00 51.03 82 A 1 ATOM 702 O O . ILE A 0 82 . 8.104 6.949 -22.982 1.00 51.03 82 A 1 ATOM 703 C CG1 . ILE A 0 82 . 8.389 4.481 -19.349 1.00 51.03 82 A 1 ATOM 704 C CG2 . ILE A 0 82 . 10.160 5.855 -20.534 1.00 51.03 82 A 1 ATOM 705 C CD1 . ILE A 0 82 . 9.209 3.185 -19.283 1.00 51.03 82 A 1 ATOM 706 N N . LEU A 0 83 . 7.905 8.772 -21.670 1.00 47.05 83 A 1 ATOM 707 C CA . LEU A 0 83 . 8.538 9.701 -22.596 1.00 47.05 83 A 1 ATOM 708 C C . LEU A 0 83 . 10.016 9.296 -22.688 1.00 47.05 83 A 1 ATOM 709 C CB . LEU A 0 83 . 8.374 11.149 -22.094 1.00 47.05 83 A 1 ATOM 710 O O . LEU A 0 83 . 10.738 9.368 -21.691 1.00 47.05 83 A 1 ATOM 711 C CG . LEU A 0 83 . 6.934 11.694 -22.153 1.00 47.05 83 A 1 ATOM 712 C CD1 . LEU A 0 83 . 6.846 13.021 -21.394 1.00 47.05 83 A 1 ATOM 713 C CD2 . LEU A 0 83 . 6.468 11.941 -23.590 1.00 47.05 83 A 1 ATOM 714 N N . VAL A 0 84 . 10.409 8.788 -23.858 1.00 43.28 84 A 1 ATOM 715 C CA . VAL A 0 84 . 11.808 8.779 -24.304 1.00 43.28 84 A 1 ATOM 716 C C . VAL A 0 84 . 12.302 10.218 -24.370 1.00 43.28 84 A 1 ATOM 717 C CB . VAL A 0 84 . 11.944 8.085 -25.669 1.00 43.28 84 A 1 ATOM 718 O O . VAL A 0 84 . 11.514 11.076 -24.833 1.00 43.28 84 A 1 ATOM 719 C CG1 . VAL A 0 84 . 13.383 8.130 -26.196 1.00 43.28 84 A 1 ATOM 720 C CG2 . VAL A 0 84 . 11.534 6.609 -25.566 1.00 43.28 84 A 1 ATOM 721 O OXT . VAL A 0 84 . 13.465 10.410 -23.964 1.00 43.28 84 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 64.56 # loop_ _atom_type.symbol C N O S #