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 LYS 0 3 GLU 0 4 ILE 0 5 ILE 0 6 ALA 0 7 MET 0 8 ILE 0 9 LYS 0 10 ASP 0 11 ALA 0 12 ASP 0 13 MET 0 14 ASN 0 15 ARG 0 16 SER 0 17 MET 0 18 GLN 0 19 GLU 0 20 ASP 0 21 ALA 0 22 VAL 0 23 TYR 0 24 ILE 0 25 ALA 0 26 ALA 0 27 ASN 0 28 ALA 0 29 MET 0 30 ASP 0 31 GLU 0 32 HIS 0 33 ASN 0 34 THR 0 35 GLU 0 36 GLN 0 37 GLU 0 38 ILE 0 39 ALA 0 40 ARG 0 41 TYR 0 42 ILE 0 43 LYS 0 44 ILE 0 45 GLN 0 46 PHE 0 47 ASP 0 48 HIS 0 49 LYS 0 50 TYR 0 51 LYS 0 52 PRO 0 53 TYR 0 54 TRP 0 55 HIS 0 56 CYS 0 57 ILE 0 58 VAL 0 59 GLY 0 60 GLY 0 61 THR 0 62 PHE 0 63 SER 0 64 SER 0 65 PHE 0 66 VAL 0 67 SER 0 68 HIS 0 69 GLU 0 70 ALA 0 71 ASN 0 72 LYS 0 73 PHE 0 74 ILE 0 75 TYR 0 76 PHE 0 77 PHE 0 78 LEU 0 79 GLY 0 80 ASN 0 81 HIS 0 82 SER 0 83 ILE 0 84 LEU 0 85 LEU 0 86 TYR 0 87 LYS 0 88 SER 0 89 LEU # 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 . 20.355 14.679 -3.941 1.00 45.78 1 A 1 ATOM 2 C CA . MET A 0 1 . 19.224 13.732 -3.857 1.00 45.78 1 A 1 ATOM 3 C C . MET A 0 1 . 18.015 14.411 -4.468 1.00 45.78 1 A 1 ATOM 4 C CB . MET A 0 1 . 18.935 13.360 -2.395 1.00 45.78 1 A 1 ATOM 5 O O . MET A 0 1 . 17.809 15.578 -4.161 1.00 45.78 1 A 1 ATOM 6 C CG . MET A 0 1 . 19.887 12.271 -1.897 1.00 45.78 1 A 1 ATOM 7 S SD . MET A 0 1 . 19.703 11.895 -0.139 1.00 45.78 1 A 1 ATOM 8 C CE . MET A 0 1 . 20.758 13.163 0.611 1.00 45.78 1 A 1 ATOM 9 N N . LYS A 0 2 . 17.257 13.753 -5.352 1.00 52.67 2 A 1 ATOM 10 C CA . LYS A 0 2 . 15.900 14.236 -5.646 1.00 52.67 2 A 1 ATOM 11 C C . LYS A 0 2 . 15.094 13.977 -4.377 1.00 52.67 2 A 1 ATOM 12 C CB . LYS A 0 2 . 15.281 13.494 -6.848 1.00 52.67 2 A 1 ATOM 13 O O . LYS A 0 2 . 15.010 12.826 -3.969 1.00 52.67 2 A 1 ATOM 14 C CG . LYS A 0 2 . 15.765 14.024 -8.209 1.00 52.67 2 A 1 ATOM 15 C CD . LYS A 0 2 . 15.064 13.277 -9.357 1.00 52.67 2 A 1 ATOM 16 C CE . LYS A 0 2 . 15.451 13.860 -10.723 1.00 52.67 2 A 1 ATOM 17 N NZ . LYS A 0 2 . 14.794 13.119 -11.831 1.00 52.67 2 A 1 ATOM 18 N N . GLU A 0 3 . 14.575 15.014 -3.729 1.00 65.91 3 A 1 ATOM 19 C CA . GLU A 0 3 . 13.563 14.817 -2.690 1.00 65.91 3 A 1 ATOM 20 C C . GLU A 0 3 . 12.341 14.203 -3.369 1.00 65.91 3 A 1 ATOM 21 C CB . GLU A 0 3 . 13.204 16.139 -1.999 1.00 65.91 3 A 1 ATOM 22 O O . GLU A 0 3 . 11.635 14.867 -4.131 1.00 65.91 3 A 1 ATOM 23 C CG . GLU A 0 3 . 14.260 16.544 -0.961 1.00 65.91 3 A 1 ATOM 24 C CD . GLU A 0 3 . 13.912 17.857 -0.241 1.00 65.91 3 A 1 ATOM 25 O OE1 . GLU A 0 3 . 14.465 18.063 0.862 1.00 65.91 3 A 1 ATOM 26 O OE2 . GLU A 0 3 . 13.148 18.663 -0.819 1.00 65.91 3 A 1 ATOM 27 N N . ILE A 0 4 . 12.138 12.901 -3.176 1.00 75.68 4 A 1 ATOM 28 C CA . ILE A 0 4 . 10.932 12.239 -3.653 1.00 75.68 4 A 1 ATOM 29 C C . ILE A 0 4 . 9.849 12.531 -2.617 1.00 75.68 4 A 1 ATOM 30 C CB . ILE A 0 4 . 11.147 10.737 -3.931 1.00 75.68 4 A 1 ATOM 31 O O . ILE A 0 4 . 9.787 11.907 -1.562 1.00 75.68 4 A 1 ATOM 32 C CG1 . ILE A 0 4 . 12.368 10.493 -4.850 1.00 75.68 4 A 1 ATOM 33 C CG2 . ILE A 0 4 . 9.881 10.208 -4.620 1.00 75.68 4 A 1 ATOM 34 C CD1 . ILE A 0 4 . 12.616 9.019 -5.193 1.00 75.68 4 A 1 ATOM 35 N N . ILE A 0 5 . 9.023 13.534 -2.907 1.00 88.65 5 A 1 ATOM 36 C CA . ILE A 0 5 . 7.910 13.925 -2.043 1.00 88.65 5 A 1 ATOM 37 C C . ILE A 0 5 . 6.760 12.945 -2.270 1.00 88.65 5 A 1 ATOM 38 C CB . ILE A 0 5 . 7.496 15.393 -2.292 1.00 88.65 5 A 1 ATOM 39 O O . ILE A 0 5 . 6.258 12.817 -3.389 1.00 88.65 5 A 1 ATOM 40 C CG1 . ILE A 0 5 . 8.689 16.341 -2.017 1.00 88.65 5 A 1 ATOM 41 C CG2 . ILE A 0 5 . 6.290 15.767 -1.408 1.00 88.65 5 A 1 ATOM 42 C CD1 . ILE A 0 5 . 8.426 17.808 -2.379 1.00 88.65 5 A 1 ATOM 43 N N . ALA A 0 6 . 6.326 12.276 -1.204 1.00 95.68 6 A 1 ATOM 44 C CA . ALA A 0 6 . 5.115 11.474 -1.247 1.00 95.68 6 A 1 ATOM 45 C C . ALA A 0 6 . 3.878 12.373 -1.321 1.00 95.68 6 A 1 ATOM 46 C CB . ALA A 0 6 . 5.058 10.548 -0.037 1.00 95.68 6 A 1 ATOM 47 O O . ALA A 0 6 . 3.713 13.300 -0.525 1.00 95.68 6 A 1 ATOM 48 N N . MET A 0 7 . 2.978 12.071 -2.252 1.00 96.39 7 A 1 ATOM 49 C CA . MET A 0 7 . 1.687 12.741 -2.364 1.00 96.39 7 A 1 ATOM 50 C C . MET A 0 7 . 0.583 11.778 -1.948 1.00 96.39 7 A 1 ATOM 51 C CB . MET A 0 7 . 1.509 13.279 -3.785 1.00 96.39 7 A 1 ATOM 52 O O . MET A 0 7 . 0.155 10.938 -2.741 1.00 96.39 7 A 1 ATOM 53 C CG . MET A 0 7 . 0.241 14.130 -3.909 1.00 96.39 7 A 1 ATOM 54 S SD . MET A 0 7 . -0.086 14.753 -5.582 1.00 96.39 7 A 1 ATOM 55 C CE . MET A 0 7 . 1.405 15.739 -5.886 1.00 96.39 7 A 1 ATOM 56 N N . ILE A 0 8 . 0.111 11.914 -0.710 1.00 97.58 8 A 1 ATOM 57 C CA . ILE A 0 8 . -1.021 11.132 -0.210 1.00 97.58 8 A 1 ATOM 58 C C . ILE A 0 8 . -2.288 11.565 -0.951 1.00 97.58 8 A 1 ATOM 59 C CB . ILE A 0 8 . -1.171 11.255 1.321 1.00 97.58 8 A 1 ATOM 60 O O . ILE A 0 8 . -2.607 12.755 -1.006 1.00 97.58 8 A 1 ATOM 61 C CG1 . ILE A 0 8 . 0.151 11.029 2.095 1.00 97.58 8 A 1 ATOM 62 C CG2 . ILE A 0 8 . -2.250 10.278 1.821 1.00 97.58 8 A 1 ATOM 63 C CD1 . ILE A 0 8 . 0.920 9.749 1.743 1.00 97.58 8 A 1 ATOM 64 N N . LYS A 0 9 . -2.984 10.604 -1.558 1.00 96.14 9 A 1 ATOM 65 C CA . LYS A 0 9 . -4.233 10.832 -2.294 1.00 96.14 9 A 1 ATOM 66 C C . LYS A 0 9 . -5.451 10.458 -1.481 1.00 96.14 9 A 1 ATOM 67 C CB . LYS A 0 9 . -4.206 10.049 -3.614 1.00 96.14 9 A 1 ATOM 68 O O . LYS A 0 9 . -6.431 11.193 -1.510 1.00 96.14 9 A 1 ATOM 69 C CG . LYS A 0 9 . -3.232 10.616 -4.650 1.00 96.14 9 A 1 ATOM 70 C CD . LYS A 0 9 . -3.486 12.113 -4.858 1.00 96.14 9 A 1 ATOM 71 C CE . LYS A 0 9 . -2.767 12.595 -6.101 1.00 96.14 9 A 1 ATOM 72 N NZ . LYS A 0 9 . -2.974 14.043 -6.308 1.00 96.14 9 A 1 ATOM 73 N N . ASP A 0 10 . -5.358 9.351 -0.763 1.00 97.22 10 A 1 ATOM 74 C CA . ASP A 0 10 . -6.387 8.909 0.161 1.00 97.22 10 A 1 ATOM 75 C C . ASP A 0 10 . -5.751 8.046 1.254 1.00 97.22 10 A 1 ATOM 76 C CB . ASP A 0 10 . -7.477 8.163 -0.621 1.00 97.22 10 A 1 ATOM 77 O O . ASP A 0 10 . -4.750 7.364 1.016 1.00 97.22 10 A 1 ATOM 78 C CG . ASP A 0 10 . -8.742 7.927 0.206 1.00 97.22 10 A 1 ATOM 79 O OD1 . ASP A 0 10 . -8.831 8.496 1.318 1.00 97.22 10 A 1 ATOM 80 O OD2 . ASP A 0 10 . -9.604 7.181 -0.300 1.00 97.22 10 A 1 ATOM 81 N N . ALA A 0 11 . -6.287 8.113 2.465 1.00 98.00 11 A 1 ATOM 82 C CA . ALA A 0 11 . -5.766 7.371 3.601 1.00 98.00 11 A 1 ATOM 83 C C . ALA A 0 11 . -6.835 7.183 4.679 1.00 98.00 11 A 1 ATOM 84 C CB . ALA A 0 11 . -4.538 8.093 4.177 1.00 98.00 11 A 1 ATOM 85 O O . ALA A 0 11 . -7.372 8.147 5.221 1.00 98.00 11 A 1 ATOM 86 N N . ASP A 0 12 . -7.032 5.930 5.069 1.00 98.12 12 A 1 ATOM 87 C CA . ASP A 0 12 . -7.723 5.524 6.286 1.00 98.12 12 A 1 ATOM 88 C C . ASP A 0 12 . -6.707 4.786 7.165 1.00 98.12 12 A 1 ATOM 89 C CB . ASP A 0 12 . -8.975 4.704 5.942 1.00 98.12 12 A 1 ATOM 90 O O . ASP A 0 12 . -6.607 3.560 7.166 1.00 98.12 12 A 1 ATOM 91 C CG . ASP A 0 12 . -9.653 4.137 7.190 1.00 98.12 12 A 1 ATOM 92 O OD1 . ASP A 0 12 . -9.533 4.755 8.270 1.00 98.12 12 A 1 ATOM 93 O OD2 . ASP A 0 12 . -10.240 3.036 7.095 1.00 98.12 12 A 1 ATOM 94 N N . MET A 0 13 . -5.856 5.564 7.834 1.00 98.16 13 A 1 ATOM 95 C CA . MET A 0 13 . -4.885 5.135 8.846 1.00 98.16 13 A 1 ATOM 96 C C . MET A 0 13 . -4.278 6.368 9.533 1.00 98.16 13 A 1 ATOM 97 C CB . MET A 0 13 . -3.772 4.259 8.239 1.00 98.16 13 A 1 ATOM 98 O O . MET A 0 13 . -4.329 7.481 9.007 1.00 98.16 13 A 1 ATOM 99 C CG . MET A 0 13 . -3.059 4.905 7.049 1.00 98.16 13 A 1 ATOM 100 S SD . MET A 0 13 . -1.594 4.010 6.475 1.00 98.16 13 A 1 ATOM 101 C CE . MET A 0 13 . -2.347 2.480 5.863 1.00 98.16 13 A 1 ATOM 102 N N . ASN A 0 14 . -3.675 6.190 10.711 1.00 98.21 14 A 1 ATOM 103 C CA . ASN A 0 14 . -3.038 7.292 11.437 1.00 98.21 14 A 1 ATOM 104 C C . ASN A 0 14 . -1.749 7.790 10.747 1.00 98.21 14 A 1 ATOM 105 C CB . ASN A 0 14 . -2.825 6.883 12.906 1.00 98.21 14 A 1 ATOM 106 O O . ASN A 0 14 . -1.131 7.064 9.974 1.00 98.21 14 A 1 ATOM 107 C CG . ASN A 0 14 . -1.764 5.812 13.096 1.00 98.21 14 A 1 ATOM 108 N ND2 . ASN A 0 14 . -2.065 4.749 13.802 1.00 98.21 14 A 1 ATOM 109 O OD1 . ASN A 0 14 . -0.640 5.927 12.652 1.00 98.21 14 A 1 ATOM 110 N N . ARG A 0 15 . -1.315 9.019 11.068 1.00 98.01 15 A 1 ATOM 111 C CA . ARG A 0 15 . -0.141 9.657 10.438 1.00 98.01 15 A 1 ATOM 112 C C . ARG A 0 15 . 1.152 8.853 10.573 1.00 98.01 15 A 1 ATOM 113 C CB . ARG A 0 15 . 0.093 11.066 10.998 1.00 98.01 15 A 1 ATOM 114 O O . ARG A 0 15 . 1.878 8.744 9.600 1.00 98.01 15 A 1 ATOM 115 C CG . ARG A 0 15 . -0.975 12.063 10.540 1.00 98.01 15 A 1 ATOM 116 C CD . ARG A 0 15 . -0.547 13.475 10.948 1.00 98.01 15 A 1 ATOM 117 N NE . ARG A 0 15 . -1.535 14.484 10.525 1.00 98.01 15 A 1 ATOM 118 N NH1 . ARG A 0 15 . -0.148 16.307 10.667 1.00 98.01 15 A 1 ATOM 119 N NH2 . ARG A 0 15 . -2.270 16.576 10.027 1.00 98.01 15 A 1 ATOM 120 C CZ . ARG A 0 15 . -1.313 15.779 10.410 1.00 98.01 15 A 1 ATOM 121 N N . SER A 0 16 . 1.402 8.246 11.733 1.00 98.26 16 A 1 ATOM 122 C CA . SER A 0 16 . 2.605 7.429 11.943 1.00 98.26 16 A 1 ATOM 123 C C . SER A 0 16 . 2.647 6.225 10.995 1.00 98.26 16 A 1 ATOM 124 C CB . SER A 0 16 . 2.666 6.987 13.408 1.00 98.26 16 A 1 ATOM 125 O O . SER A 0 16 . 3.695 5.925 10.435 1.00 98.26 16 A 1 ATOM 126 O OG . SER A 0 16 . 3.682 6.036 13.639 1.00 98.26 16 A 1 ATOM 127 N N . MET A 0 17 . 1.507 5.574 10.745 1.00 98.58 17 A 1 ATOM 128 C CA . MET A 0 17 . 1.421 4.478 9.777 1.00 98.58 17 A 1 ATOM 129 C C . MET A 0 17 . 1.566 4.968 8.328 1.00 98.58 17 A 1 ATOM 130 C CB . MET A 0 17 . 0.109 3.716 9.999 1.00 98.58 17 A 1 ATOM 131 O O . MET A 0 17 . 2.139 4.257 7.507 1.00 98.58 17 A 1 ATOM 132 C CG . MET A 0 17 . 0.046 2.400 9.213 1.00 98.58 17 A 1 ATOM 133 S SD . MET A 0 17 . -1.488 1.457 9.467 1.00 98.58 17 A 1 ATOM 134 C CE . MET A 0 17 . -1.159 0.748 11.093 1.00 98.58 17 A 1 ATOM 135 N N . GLN A 0 18 . 1.099 6.183 8.016 1.00 98.64 18 A 1 ATOM 136 C CA . GLN A 0 18 . 1.320 6.802 6.701 1.00 98.64 18 A 1 ATOM 137 C C . GLN A 0 18 . 2.807 7.109 6.468 1.00 98.64 18 A 1 ATOM 138 C CB . GLN A 0 18 . 0.499 8.094 6.538 1.00 98.64 18 A 1 ATOM 139 O O . GLN A 0 18 . 3.333 6.809 5.399 1.00 98.64 18 A 1 ATOM 140 C CG . GLN A 0 18 . -1.018 7.893 6.648 1.00 98.64 18 A 1 ATOM 141 C CD . GLN A 0 18 . -1.807 9.196 6.584 1.00 98.64 18 A 1 ATOM 142 N NE2 . GLN A 0 18 . -2.972 9.263 7.193 1.00 98.64 18 A 1 ATOM 143 O OE1 . GLN A 0 18 . -1.406 10.189 6.001 1.00 98.64 18 A 1 ATOM 144 N N . GLU A 0 19 . 3.495 7.662 7.468 1.00 98.08 19 A 1 ATOM 145 C CA . GLU A 0 19 . 4.941 7.919 7.425 1.00 98.08 19 A 1 ATOM 146 C C . GLU A 0 19 . 5.726 6.617 7.236 1.00 98.08 19 A 1 ATOM 147 C CB . GLU A 0 19 . 5.377 8.621 8.722 1.00 98.08 19 A 1 ATOM 148 O O . GLU A 0 19 . 6.612 6.548 6.385 1.00 98.08 19 A 1 ATOM 149 C CG . GLU A 0 19 . 4.900 10.083 8.784 1.00 98.08 19 A 1 ATOM 150 C CD . GLU A 0 19 . 5.015 10.720 10.181 1.00 98.08 19 A 1 ATOM 151 O OE1 . GLU A 0 19 . 4.523 11.865 10.327 1.00 98.08 19 A 1 ATOM 152 O OE2 . GLU A 0 19 . 5.531 10.065 11.117 1.00 98.08 19 A 1 ATOM 153 N N . ASP A 0 20 . 5.340 5.558 7.950 1.00 98.31 20 A 1 ATOM 154 C CA . ASP A 0 20 . 5.916 4.226 7.783 1.00 98.31 20 A 1 ATOM 155 C C . ASP A 0 20 . 5.661 3.649 6.377 1.00 98.31 20 A 1 ATOM 156 C CB . ASP A 0 20 . 5.365 3.307 8.887 1.00 98.31 20 A 1 ATOM 157 O O . ASP A 0 20 . 6.572 3.067 5.787 1.00 98.31 20 A 1 ATOM 158 C CG . ASP A 0 20 . 6.047 3.520 10.247 1.00 98.31 20 A 1 ATOM 159 O OD1 . ASP A 0 20 . 7.282 3.692 10.258 1.00 98.31 20 A 1 ATOM 160 O OD2 . ASP A 0 20 . 5.487 3.184 11.318 1.00 98.31 20 A 1 ATOM 161 N N . ALA A 0 21 . 4.466 3.846 5.802 1.00 98.65 21 A 1 ATOM 162 C CA . ALA A 0 21 . 4.145 3.440 4.428 1.00 98.65 21 A 1 ATOM 163 C C . ALA A 0 21 . 5.046 4.126 3.398 1.00 98.65 21 A 1 ATOM 164 C CB . ALA A 0 21 . 2.660 3.701 4.131 1.00 98.65 21 A 1 ATOM 165 O O . ALA A 0 21 . 5.599 3.463 2.518 1.00 98.65 21 A 1 ATOM 166 N N . VAL A 0 22 . 5.224 5.439 3.534 1.00 98.17 22 A 1 ATOM 167 C CA . VAL A 0 22 . 6.080 6.236 2.649 1.00 98.17 22 A 1 ATOM 168 C C . VAL A 0 22 . 7.548 5.847 2.804 1.00 98.17 22 A 1 ATOM 169 C CB . VAL A 0 22 . 5.866 7.735 2.919 1.00 98.17 22 A 1 ATOM 170 O O . VAL A 0 22 . 8.227 5.652 1.799 1.00 98.17 22 A 1 ATOM 171 C CG1 . VAL A 0 22 . 6.909 8.602 2.204 1.00 98.17 22 A 1 ATOM 172 C CG2 . VAL A 0 22 . 4.469 8.157 2.442 1.00 98.17 22 A 1 ATOM 173 N N . TYR A 0 23 . 8.033 5.695 4.037 1.00 97.76 23 A 1 ATOM 174 C CA . TYR A 0 23 . 9.420 5.325 4.312 1.00 97.76 23 A 1 ATOM 175 C C . TYR A 0 23 . 9.766 3.938 3.753 1.00 97.76 23 A 1 ATOM 176 C CB . TYR A 0 23 . 9.653 5.385 5.827 1.00 97.76 23 A 1 ATOM 177 O O . TYR A 0 23 . 10.762 3.777 3.050 1.00 97.76 23 A 1 ATOM 178 C CG . TYR A 0 23 . 11.049 4.963 6.229 1.00 97.76 23 A 1 ATOM 179 C CD1 . TYR A 0 23 . 11.275 3.677 6.755 1.00 97.76 23 A 1 ATOM 180 C CD2 . TYR A 0 23 . 12.129 5.841 6.017 1.00 97.76 23 A 1 ATOM 181 C CE1 . TYR A 0 23 . 12.585 3.268 7.069 1.00 97.76 23 A 1 ATOM 182 C CE2 . TYR A 0 23 . 13.441 5.430 6.313 1.00 97.76 23 A 1 ATOM 183 O OH . TYR A 0 23 . 14.932 3.708 7.072 1.00 97.76 23 A 1 ATOM 184 C CZ . TYR A 0 23 . 13.668 4.139 6.835 1.00 97.76 23 A 1 ATOM 185 N N . ILE A 0 24 . 8.910 2.942 4.002 1.00 98.39 24 A 1 ATOM 186 C CA . ILE A 0 24 . 9.096 1.581 3.481 1.00 98.39 24 A 1 ATOM 187 C C . ILE A 0 24 . 9.053 1.575 1.948 1.00 98.39 24 A 1 ATOM 188 C CB . ILE A 0 24 . 8.049 0.636 4.116 1.00 98.39 24 A 1 ATOM 189 O O . ILE A 0 24 . 9.862 0.890 1.324 1.00 98.39 24 A 1 ATOM 190 C CG1 . ILE A 0 24 . 8.421 0.382 5.597 1.00 98.39 24 A 1 ATOM 191 C CG2 . ILE A 0 24 . 7.949 -0.707 3.371 1.00 98.39 24 A 1 ATOM 192 C CD1 . ILE A 0 24 . 7.319 -0.264 6.447 1.00 98.39 24 A 1 ATOM 193 N N . ALA A 0 25 . 8.145 2.338 1.333 1.00 98.21 25 A 1 ATOM 194 C CA . ALA A 0 25 . 8.073 2.455 -0.121 1.00 98.21 25 A 1 ATOM 195 C C . ALA A 0 25 . 9.304 3.143 -0.729 1.00 98.21 25 A 1 ATOM 196 C CB . ALA A 0 25 . 6.790 3.197 -0.486 1.00 98.21 25 A 1 ATOM 197 O O . ALA A 0 25 . 9.773 2.709 -1.779 1.00 98.21 25 A 1 ATOM 198 N N . ALA A 0 26 . 9.846 4.173 -0.073 1.00 96.85 26 A 1 ATOM 199 C CA . ALA A 0 26 . 11.073 4.834 -0.508 1.00 96.85 26 A 1 ATOM 200 C C . ALA A 0 26 . 12.262 3.863 -0.493 1.00 96.85 26 A 1 ATOM 201 C CB . ALA A 0 26 . 11.311 6.072 0.364 1.00 96.85 26 A 1 ATOM 202 O O . ALA A 0 26 . 12.926 3.711 -1.514 1.00 96.85 26 A 1 ATOM 203 N N . ASN A 0 27 . 12.450 3.119 0.603 1.00 96.72 27 A 1 ATOM 204 C CA . ASN A 0 27 . 13.495 2.092 0.682 1.00 96.72 27 A 1 ATOM 205 C C . ASN A 0 27 . 13.315 1.009 -0.393 1.00 96.72 27 A 1 ATOM 206 C CB . ASN A 0 27 . 13.475 1.444 2.074 1.00 96.72 27 A 1 ATOM 207 O O . ASN A 0 27 . 14.275 0.612 -1.046 1.00 96.72 27 A 1 ATOM 208 C CG . ASN A 0 27 . 13.900 2.356 3.208 1.00 96.72 27 A 1 ATOM 209 N ND2 . ASN A 0 27 . 13.747 1.883 4.422 1.00 96.72 27 A 1 ATOM 210 O OD1 . ASN A 0 27 . 14.375 3.467 3.058 1.00 96.72 27 A 1 ATOM 211 N N . ALA A 0 28 . 12.076 0.559 -0.622 1.00 97.63 28 A 1 ATOM 212 C CA . ALA A 0 28 . 11.779 -0.432 -1.653 1.00 97.63 28 A 1 ATOM 213 C C . ALA A 0 28 . 12.166 0.057 -3.059 1.00 97.63 28 A 1 ATOM 214 C CB . ALA A 0 28 . 10.284 -0.760 -1.591 1.00 97.63 28 A 1 ATOM 215 O O . ALA A 0 28 . 12.664 -0.727 -3.860 1.00 97.63 28 A 1 ATOM 216 N N . MET A 0 29 . 11.945 1.342 -3.356 1.00 95.24 29 A 1 ATOM 217 C CA . MET A 0 29 . 12.310 1.956 -4.638 1.00 95.24 29 A 1 ATOM 218 C C . MET A 0 29 . 13.820 2.167 -4.806 1.00 95.24 29 A 1 ATOM 219 C CB . MET A 0 29 . 11.586 3.300 -4.790 1.00 95.24 29 A 1 ATOM 220 O O . MET A 0 29 . 14.289 2.220 -5.941 1.00 95.24 29 A 1 ATOM 221 C CG . MET A 0 29 . 10.098 3.117 -5.111 1.00 95.24 29 A 1 ATOM 222 S SD . MET A 0 29 . 9.142 4.647 -5.342 1.00 95.24 29 A 1 ATOM 223 C CE . MET A 0 29 . 10.127 5.491 -6.603 1.00 95.24 29 A 1 ATOM 224 N N . ASP A 0 30 . 14.568 2.281 -3.709 1.00 94.91 30 A 1 ATOM 225 C CA . ASP A 0 30 . 16.030 2.371 -3.742 1.00 94.91 30 A 1 ATOM 226 C C . ASP A 0 30 . 16.690 0.985 -3.899 1.00 94.91 30 A 1 ATOM 227 C CB . ASP A 0 30 . 16.530 3.088 -2.472 1.00 94.91 30 A 1 ATOM 228 O O . ASP A 0 30 . 17.749 0.867 -4.518 1.00 94.91 30 A 1 ATOM 229 C CG . ASP A 0 30 . 16.271 4.606 -2.440 1.00 94.91 30 A 1 ATOM 230 O OD1 . ASP A 0 30 . 16.022 5.215 -3.509 1.00 94.91 30 A 1 ATOM 231 O OD2 . ASP A 0 30 . 16.417 5.188 -1.340 1.00 94.91 30 A 1 ATOM 232 N N . GLU A 0 31 . 16.069 -0.073 -3.363 1.00 96.36 31 A 1 ATOM 233 C CA . GLU A 0 31 . 16.612 -1.443 -3.366 1.00 96.36 31 A 1 ATOM 234 C C . GLU A 0 31 . 16.148 -2.304 -4.556 1.00 96.36 31 A 1 ATOM 235 C CB . GLU A 0 31 . 16.253 -2.142 -2.040 1.00 96.36 31 A 1 ATOM 236 O O . GLU A 0 31 . 16.794 -3.307 -4.887 1.00 96.36 31 A 1 ATOM 237 C CG . GLU A 0 31 . 16.992 -1.552 -0.824 1.00 96.36 31 A 1 ATOM 238 C CD . GLU A 0 31 . 16.660 -2.255 0.510 1.00 96.36 31 A 1 ATOM 239 O OE1 . GLU A 0 31 . 16.987 -1.685 1.577 1.00 96.36 31 A 1 ATOM 240 O OE2 . GLU A 0 31 . 16.114 -3.384 0.504 1.00 96.36 31 A 1 ATOM 241 N N . HIS A 0 32 . 15.033 -1.953 -5.205 1.00 96.95 32 A 1 ATOM 242 C CA . HIS A 0 32 . 14.389 -2.790 -6.218 1.00 96.95 32 A 1 ATOM 243 C C . HIS A 0 32 . 14.029 -2.029 -7.493 1.00 96.95 32 A 1 ATOM 244 C CB . HIS A 0 32 . 13.149 -3.461 -5.628 1.00 96.95 32 A 1 ATOM 245 O O . HIS A 0 32 . 13.629 -0.870 -7.466 1.00 96.95 32 A 1 ATOM 246 C CG . HIS A 0 32 . 13.431 -4.298 -4.408 1.00 96.95 32 A 1 ATOM 247 C CD2 . HIS A 0 32 . 12.790 -4.226 -3.204 1.00 96.95 32 A 1 ATOM 248 N ND1 . HIS A 0 32 . 14.429 -5.235 -4.284 1.00 96.95 32 A 1 ATOM 249 C CE1 . HIS A 0 32 . 14.386 -5.720 -3.035 1.00 96.95 32 A 1 ATOM 250 N NE2 . HIS A 0 32 . 13.375 -5.169 -2.352 1.00 96.95 32 A 1 ATOM 251 N N . ASN A 0 33 . 14.129 -2.719 -8.633 1.00 94.03 33 A 1 ATOM 252 C CA . ASN A 0 33 . 13.977 -2.096 -9.952 1.00 94.03 33 A 1 ATOM 253 C C . ASN A 0 33 . 12.607 -2.346 -10.587 1.00 94.03 33 A 1 ATOM 254 C CB . ASN A 0 33 . 15.096 -2.604 -10.870 1.00 94.03 33 A 1 ATOM 255 O O . ASN A 0 33 . 12.217 -1.621 -11.501 1.00 94.03 33 A 1 ATOM 256 C CG . ASN A 0 33 . 16.464 -2.154 -10.400 1.00 94.03 33 A 1 ATOM 257 N ND2 . ASN A 0 33 . 17.350 -3.072 -10.096 1.00 94.03 33 A 1 ATOM 258 O OD1 . ASN A 0 33 . 16.767 -0.981 -10.317 1.00 94.03 33 A 1 ATOM 259 N N . THR A 0 34 . 11.894 -3.390 -10.158 1.00 96.73 34 A 1 ATOM 260 C CA . THR A 0 34 . 10.598 -3.752 -10.739 1.00 96.73 34 A 1 ATOM 261 C C . THR A 0 34 . 9.449 -3.432 -9.789 1.00 96.73 34 A 1 ATOM 262 C CB . THR A 0 34 . 10.555 -5.220 -11.184 1.00 96.73 34 A 1 ATOM 263 O O . THR A 0 34 . 9.548 -3.620 -8.577 1.00 96.73 34 A 1 ATOM 264 C CG2 . THR A 0 34 . 11.707 -5.606 -12.114 1.00 96.73 34 A 1 ATOM 265 O OG1 . THR A 0 34 . 10.594 -6.081 -10.078 1.00 96.73 34 A 1 ATOM 266 N N . GLU A 0 35 . 8.309 -3.010 -10.345 1.00 97.74 35 A 1 ATOM 267 C CA . GLU A 0 35 . 7.080 -2.746 -9.579 1.00 97.74 35 A 1 ATOM 268 C C . GLU A 0 35 . 6.656 -3.969 -8.746 1.00 97.74 35 A 1 ATOM 269 C CB . GLU A 0 35 . 5.944 -2.373 -10.549 1.00 97.74 35 A 1 ATOM 270 O O . GLU A 0 35 . 6.191 -3.832 -7.615 1.00 97.74 35 A 1 ATOM 271 C CG . GLU A 0 35 . 6.207 -1.073 -11.333 1.00 97.74 35 A 1 ATOM 272 C CD . GLU A 0 35 . 5.106 -0.753 -12.362 1.00 97.74 35 A 1 ATOM 273 O OE1 . GLU A 0 35 . 4.867 0.451 -12.626 1.00 97.74 35 A 1 ATOM 274 O OE2 . GLU A 0 35 . 4.493 -1.707 -12.891 1.00 97.74 35 A 1 ATOM 275 N N . GLN A 0 36 . 6.882 -5.177 -9.275 1.00 98.10 36 A 1 ATOM 276 C CA . GLN A 0 36 . 6.597 -6.433 -8.585 1.00 98.10 36 A 1 ATOM 277 C C . GLN A 0 36 . 7.457 -6.618 -7.326 1.00 98.10 36 A 1 ATOM 278 C CB . GLN A 0 36 . 6.810 -7.597 -9.564 1.00 98.10 36 A 1 ATOM 279 O O . GLN A 0 36 . 6.936 -7.014 -6.280 1.00 98.10 36 A 1 ATOM 280 C CG . GLN A 0 36 . 6.373 -8.935 -8.947 1.00 98.10 36 A 1 ATOM 281 C CD . GLN A 0 36 . 6.593 -10.127 -9.870 1.00 98.10 36 A 1 ATOM 282 N NE2 . GLN A 0 36 . 5.885 -11.215 -9.660 1.00 98.10 36 A 1 ATOM 283 O OE1 . GLN A 0 36 . 7.402 -10.136 -10.777 1.00 98.10 36 A 1 ATOM 284 N N . GLU A 0 37 . 8.762 -6.357 -7.408 1.00 98.41 37 A 1 ATOM 285 C CA . GLU A 0 37 . 9.671 -6.455 -6.260 1.00 98.41 37 A 1 ATOM 286 C C . GLU A 0 37 . 9.357 -5.386 -5.212 1.00 98.41 37 A 1 ATOM 287 C CB . GLU A 0 37 . 11.120 -6.313 -6.726 1.00 98.41 37 A 1 ATOM 288 O O . GLU A 0 37 . 9.289 -5.707 -4.024 1.00 98.41 37 A 1 ATOM 289 C CG . GLU A 0 37 . 11.630 -7.543 -7.489 1.00 98.41 37 A 1 ATOM 290 C CD . GLU A 0 37 . 12.927 -7.246 -8.260 1.00 98.41 37 A 1 ATOM 291 O OE1 . GLU A 0 37 . 13.758 -8.174 -8.352 1.00 98.41 37 A 1 ATOM 292 O OE2 . GLU A 0 37 . 13.048 -6.116 -8.806 1.00 98.41 37 A 1 ATOM 293 N N . ILE A 0 38 . 9.065 -4.157 -5.648 1.00 98.38 38 A 1 ATOM 294 C CA . ILE A 0 38 . 8.662 -3.054 -4.765 1.00 98.38 38 A 1 ATOM 295 C C . ILE A 0 38 . 7.380 -3.428 -4.005 1.00 98.38 38 A 1 ATOM 296 C CB . ILE A 0 38 . 8.498 -1.749 -5.582 1.00 98.38 38 A 1 ATOM 297 O O . ILE A 0 38 . 7.346 -3.369 -2.774 1.00 98.38 38 A 1 ATOM 298 C CG1 . ILE A 0 38 . 9.845 -1.295 -6.193 1.00 98.38 38 A 1 ATOM 299 C CG2 . ILE A 0 38 . 7.947 -0.605 -4.708 1.00 98.38 38 A 1 ATOM 300 C CD1 . ILE A 0 38 . 9.697 -0.268 -7.322 1.00 98.38 38 A 1 ATOM 301 N N . ALA A 0 39 . 6.340 -3.887 -4.711 1.00 98.80 39 A 1 ATOM 302 C CA . ALA A 0 39 . 5.081 -4.304 -4.093 1.00 98.80 39 A 1 ATOM 303 C C . ALA A 0 39 . 5.285 -5.453 -3.091 1.00 98.80 39 A 1 ATOM 304 C CB . ALA A 0 39 . 4.102 -4.720 -5.200 1.00 98.80 39 A 1 ATOM 305 O O . ALA A 0 39 . 4.717 -5.448 -1.992 1.00 98.80 39 A 1 ATOM 306 N N . ARG A 0 40 . 6.130 -6.431 -3.448 1.00 98.69 40 A 1 ATOM 307 C CA . ARG A 0 40 . 6.477 -7.558 -2.575 1.00 98.69 40 A 1 ATOM 308 C C . ARG A 0 40 . 7.193 -7.088 -1.310 1.00 98.69 40 A 1 ATOM 309 C CB . ARG A 0 40 . 7.315 -8.571 -3.367 1.00 98.69 40 A 1 ATOM 310 O O . ARG A 0 40 . 6.828 -7.540 -0.225 1.00 98.69 40 A 1 ATOM 311 C CG . ARG A 0 40 . 7.669 -9.798 -2.519 1.00 98.69 40 A 1 ATOM 312 C CD . ARG A 0 40 . 8.515 -10.783 -3.325 1.00 98.69 40 A 1 ATOM 313 N NE . ARG A 0 40 . 8.855 -11.970 -2.518 1.00 98.69 40 A 1 ATOM 314 N NH1 . ARG A 0 40 . 10.117 -13.035 -4.107 1.00 98.69 40 A 1 ATOM 315 N NH2 . ARG A 0 40 . 9.822 -13.989 -2.109 1.00 98.69 40 A 1 ATOM 316 C CZ . ARG A 0 40 . 9.592 -12.989 -2.914 1.00 98.69 40 A 1 ATOM 317 N N . TYR A 0 41 . 8.180 -6.203 -1.433 1.00 98.73 41 A 1 ATOM 318 C CA . TYR A 0 41 . 8.924 -5.672 -0.294 1.00 98.73 41 A 1 ATOM 319 C C . TYR A 0 41 . 8.001 -4.921 0.667 1.00 98.73 41 A 1 ATOM 320 C CB . TYR A 0 41 . 10.049 -4.764 -0.794 1.00 98.73 41 A 1 ATOM 321 O O . TYR A 0 41 . 7.966 -5.247 1.855 1.00 98.73 41 A 1 ATOM 322 C CG . TYR A 0 41 . 10.919 -4.200 0.314 1.00 98.73 41 A 1 ATOM 323 C CD1 . TYR A 0 41 . 10.509 -3.062 1.039 1.00 98.73 41 A 1 ATOM 324 C CD2 . TYR A 0 41 . 12.173 -4.778 0.583 1.00 98.73 41 A 1 ATOM 325 C CE1 . TYR A 0 41 . 11.374 -2.471 1.979 1.00 98.73 41 A 1 ATOM 326 C CE2 . TYR A 0 41 . 13.048 -4.180 1.508 1.00 98.73 41 A 1 ATOM 327 O OH . TYR A 0 41 . 13.522 -2.394 3.037 1.00 98.73 41 A 1 ATOM 328 C CZ . TYR A 0 41 . 12.657 -3.015 2.196 1.00 98.73 41 A 1 ATOM 329 N N . ILE A 0 42 . 7.194 -3.983 0.153 1.00 98.83 42 A 1 ATOM 330 C CA . ILE A 0 42 . 6.272 -3.180 0.970 1.00 98.83 42 A 1 ATOM 331 C C . ILE A 0 42 . 5.311 -4.090 1.737 1.00 98.83 42 A 1 ATOM 332 C CB . ILE A 0 42 . 5.501 -2.162 0.099 1.00 98.83 42 A 1 ATOM 333 O O . ILE A 0 42 . 5.176 -3.954 2.954 1.00 98.83 42 A 1 ATOM 334 C CG1 . ILE A 0 42 . 6.458 -1.112 -0.511 1.00 98.83 42 A 1 ATOM 335 C CG2 . ILE A 0 42 . 4.412 -1.447 0.927 1.00 98.83 42 A 1 ATOM 336 C CD1 . ILE A 0 42 . 5.817 -0.282 -1.629 1.00 98.83 42 A 1 ATOM 337 N N . LYS A 0 43 . 4.694 -5.060 1.047 1.00 98.85 43 A 1 ATOM 338 C CA . LYS A 0 43 . 3.809 -6.045 1.678 1.00 98.85 43 A 1 ATOM 339 C C . LYS A 0 43 . 4.509 -6.796 2.814 1.00 98.85 43 A 1 ATOM 340 C CB . LYS A 0 43 . 3.258 -7.006 0.612 1.00 98.85 43 A 1 ATOM 341 O O . LYS A 0 43 . 3.946 -6.883 3.900 1.00 98.85 43 A 1 ATOM 342 C CG . LYS A 0 43 . 2.528 -8.183 1.273 1.00 98.85 43 A 1 ATOM 343 C CD . LYS A 0 43 . 1.851 -9.114 0.264 1.00 98.85 43 A 1 ATOM 344 C CE . LYS A 0 43 . 1.406 -10.425 0.934 1.00 98.85 43 A 1 ATOM 345 N NZ . LYS A 0 43 . 0.659 -10.191 2.194 1.00 98.85 43 A 1 ATOM 346 N N . ILE A 0 44 . 5.707 -7.340 2.579 1.00 98.65 44 A 1 ATOM 347 C CA . ILE A 0 44 . 6.438 -8.130 3.585 1.00 98.65 44 A 1 ATOM 348 C C . ILE A 0 44 . 6.758 -7.276 4.818 1.00 98.65 44 A 1 ATOM 349 C CB . ILE A 0 44 . 7.709 -8.757 2.962 1.00 98.65 44 A 1 ATOM 350 O O . ILE A 0 44 . 6.513 -7.710 5.944 1.00 98.65 44 A 1 ATOM 351 C CG1 . ILE A 0 44 . 7.303 -9.902 2.004 1.00 98.65 44 A 1 ATOM 352 C CG2 . ILE A 0 44 . 8.674 -9.295 4.038 1.00 98.65 44 A 1 ATOM 353 C CD1 . ILE A 0 44 . 8.456 -10.432 1.141 1.00 98.65 44 A 1 ATOM 354 N N . GLN A 0 45 . 7.248 -6.049 4.624 1.00 98.74 45 A 1 ATOM 355 C CA . GLN A 0 45 . 7.560 -5.152 5.738 1.00 98.74 45 A 1 ATOM 356 C C . GLN A 0 45 . 6.305 -4.773 6.539 1.00 98.74 45 A 1 ATOM 357 C CB . GLN A 0 45 . 8.270 -3.894 5.214 1.00 98.74 45 A 1 ATOM 358 O O . GLN A 0 45 . 6.334 -4.770 7.773 1.00 98.74 45 A 1 ATOM 359 C CG . GLN A 0 45 . 9.654 -4.161 4.602 1.00 98.74 45 A 1 ATOM 360 C CD . GLN A 0 45 . 10.622 -4.861 5.546 1.00 98.74 45 A 1 ATOM 361 N NE2 . GLN A 0 45 . 11.486 -5.707 5.031 1.00 98.74 45 A 1 ATOM 362 O OE1 . GLN A 0 45 . 10.621 -4.680 6.753 1.00 98.74 45 A 1 ATOM 363 N N . PHE A 0 46 . 5.179 -4.523 5.866 1.00 98.73 46 A 1 ATOM 364 C CA . PHE A 0 46 . 3.907 -4.235 6.536 1.00 98.73 46 A 1 ATOM 365 C C . PHE A 0 46 . 3.312 -5.447 7.252 1.00 98.73 46 A 1 ATOM 366 C CB . PHE A 0 46 . 2.903 -3.642 5.542 1.00 98.73 46 A 1 ATOM 367 O O . PHE A 0 46 . 2.801 -5.302 8.364 1.00 98.73 46 A 1 ATOM 368 C CG . PHE A 0 46 . 2.845 -2.140 5.653 1.00 98.73 46 A 1 ATOM 369 C CD1 . PHE A 0 46 . 1.738 -1.520 6.262 1.00 98.73 46 A 1 ATOM 370 C CD2 . PHE A 0 46 . 3.932 -1.365 5.220 1.00 98.73 46 A 1 ATOM 371 C CE1 . PHE A 0 46 . 1.722 -0.131 6.463 1.00 98.73 46 A 1 ATOM 372 C CE2 . PHE A 0 46 . 3.924 0.020 5.435 1.00 98.73 46 A 1 ATOM 373 C CZ . PHE A 0 46 . 2.827 0.637 6.065 1.00 98.73 46 A 1 ATOM 374 N N . ASP A 0 47 . 3.414 -6.643 6.673 1.00 98.59 47 A 1 ATOM 375 C CA . ASP A 0 47 . 3.013 -7.889 7.329 1.00 98.59 47 A 1 ATOM 376 C C . ASP A 0 47 . 3.822 -8.120 8.609 1.00 98.59 47 A 1 ATOM 377 C CB . ASP A 0 47 . 3.187 -9.083 6.371 1.00 98.59 47 A 1 ATOM 378 O O . ASP A 0 47 . 3.255 -8.491 9.640 1.00 98.59 47 A 1 ATOM 379 C CG . ASP A 0 47 . 2.082 -9.214 5.319 1.00 98.59 47 A 1 ATOM 380 O OD1 . ASP A 0 47 . 0.994 -8.629 5.495 1.00 98.59 47 A 1 ATOM 381 O OD2 . ASP A 0 47 . 2.245 -9.996 4.354 1.00 98.59 47 A 1 ATOM 382 N N . HIS A 0 48 . 5.129 -7.852 8.573 1.00 98.47 48 A 1 ATOM 383 C CA . HIS A 0 48 . 6.001 -7.980 9.738 1.00 98.47 48 A 1 ATOM 384 C C . HIS A 0 48 . 5.683 -6.936 10.817 1.00 98.47 48 A 1 ATOM 385 C CB . HIS A 0 48 . 7.467 -7.876 9.290 1.00 98.47 48 A 1 ATOM 386 O O . HIS A 0 48 . 5.581 -7.279 11.995 1.00 98.47 48 A 1 ATOM 387 C CG . HIS A 0 48 . 7.996 -9.060 8.514 1.00 98.47 48 A 1 ATOM 388 C CD2 . HIS A 0 48 . 7.301 -10.136 8.022 1.00 98.47 48 A 1 ATOM 389 N ND1 . HIS A 0 48 . 9.316 -9.254 8.185 1.00 98.47 48 A 1 ATOM 390 C CE1 . HIS A 0 48 . 9.417 -10.418 7.524 1.00 98.47 48 A 1 ATOM 391 N NE2 . HIS A 0 48 . 8.214 -10.999 7.406 1.00 98.47 48 A 1 ATOM 392 N N . LYS A 0 49 . 5.499 -5.666 10.434 1.00 98.44 49 A 1 ATOM 393 C CA . LYS A 0 49 . 5.316 -4.554 11.382 1.00 98.44 49 A 1 ATOM 394 C C . LYS A 0 49 . 3.888 -4.437 11.925 1.00 98.44 49 A 1 ATOM 395 C CB . LYS A 0 49 . 5.801 -3.264 10.701 1.00 98.44 49 A 1 ATOM 396 O O . LYS A 0 49 . 3.699 -4.128 13.100 1.00 98.44 49 A 1 ATOM 397 C CG . LYS A 0 49 . 5.806 -2.059 11.653 1.00 98.44 49 A 1 ATOM 398 C CD . LYS A 0 49 . 6.615 -0.899 11.058 1.00 98.44 49 A 1 ATOM 399 C CE . LYS A 0 49 . 6.536 0.325 11.975 1.00 98.44 49 A 1 ATOM 400 N NZ . LYS A 0 49 . 7.503 1.380 11.591 1.00 98.44 49 A 1 ATOM 401 N N . TYR A 0 50 . 2.880 -4.703 11.096 1.00 98.26 50 A 1 ATOM 402 C CA . TYR A 0 50 . 1.462 -4.466 11.404 1.00 98.26 50 A 1 ATOM 403 C C . TYR A 0 50 . 0.580 -5.710 11.292 1.00 98.26 50 A 1 ATOM 404 C CB . TYR A 0 50 . 0.926 -3.332 10.536 1.00 98.26 50 A 1 ATOM 405 O O . TYR A 0 50 . -0.649 -5.592 11.248 1.00 98.26 50 A 1 ATOM 406 C CG . TYR A 0 50 . 1.676 -2.037 10.692 1.00 98.26 50 A 1 ATOM 407 C CD1 . TYR A 0 50 . 1.603 -1.309 11.898 1.00 98.26 50 A 1 ATOM 408 C CD2 . TYR A 0 50 . 2.418 -1.551 9.606 1.00 98.26 50 A 1 ATOM 409 C CE1 . TYR A 0 50 . 2.212 -0.043 11.987 1.00 98.26 50 A 1 ATOM 410 C CE2 . TYR A 0 50 . 3.009 -0.286 9.684 1.00 98.26 50 A 1 ATOM 411 O OH . TYR A 0 50 . 3.369 1.723 10.826 1.00 98.26 50 A 1 ATOM 412 C CZ . TYR A 0 50 . 2.879 0.474 10.857 1.00 98.26 50 A 1 ATOM 413 N N . LYS A 0 51 . 1.204 -6.892 11.320 1.00 97.41 51 A 1 ATOM 414 C CA . LYS A 0 51 . 0.586 -8.222 11.233 1.00 97.41 51 A 1 ATOM 415 C C . LYS A 0 51 . 0.018 -8.540 9.834 1.00 97.41 51 A 1 ATOM 416 C CB . LYS A 0 51 . -0.462 -8.445 12.344 1.00 97.41 51 A 1 ATOM 417 O O . LYS A 0 51 . -0.565 -7.656 9.196 1.00 97.41 51 A 1 ATOM 418 C CG . LYS A 0 51 . 0.028 -8.084 13.757 1.00 97.41 51 A 1 ATOM 419 C CD . LYS A 0 51 . -1.117 -8.199 14.771 1.00 97.41 51 A 1 ATOM 420 C CE . LYS A 0 51 . -0.621 -7.788 16.162 1.00 97.41 51 A 1 ATOM 421 N NZ . LYS A 0 51 . -1.713 -7.843 17.165 1.00 97.41 51 A 1 ATOM 422 N N . PRO A 0 52 . 0.079 -9.809 9.384 1.00 97.54 52 A 1 ATOM 423 C CA . PRO A 0 52 . -0.533 -10.250 8.123 1.00 97.54 52 A 1 ATOM 424 C C . PRO A 0 52 . -2.048 -9.980 8.062 1.00 97.54 52 A 1 ATOM 425 C CB . PRO A 0 52 . -0.229 -11.747 8.017 1.00 97.54 52 A 1 ATOM 426 O O . PRO A 0 52 . -2.687 -9.890 9.111 1.00 97.54 52 A 1 ATOM 427 C CG . PRO A 0 52 . 0.990 -11.946 8.912 1.00 97.54 52 A 1 ATOM 428 C CD . PRO A 0 52 . 0.781 -10.919 10.015 1.00 97.54 52 A 1 ATOM 429 N N . TYR A 0 53 . -2.696 -9.810 6.904 1.00 96.99 53 A 1 ATOM 430 C CA . TYR A 0 53 . -2.241 -10.048 5.526 1.00 96.99 53 A 1 ATOM 431 C C . TYR A 0 53 . -2.471 -8.808 4.641 1.00 96.99 53 A 1 ATOM 432 C CB . TYR A 0 53 . -3.037 -11.244 4.965 1.00 96.99 53 A 1 ATOM 433 O O . TYR A 0 53 . -3.551 -8.613 4.095 1.00 96.99 53 A 1 ATOM 434 C CG . TYR A 0 53 . -2.883 -12.536 5.740 1.00 96.99 53 A 1 ATOM 435 C CD1 . TYR A 0 53 . -1.857 -13.438 5.399 1.00 96.99 53 A 1 ATOM 436 C CD2 . TYR A 0 53 . -3.764 -12.838 6.798 1.00 96.99 53 A 1 ATOM 437 C CE1 . TYR A 0 53 . -1.703 -14.634 6.124 1.00 96.99 53 A 1 ATOM 438 C CE2 . TYR A 0 53 . -3.613 -14.033 7.525 1.00 96.99 53 A 1 ATOM 439 O OH . TYR A 0 53 . -2.425 -16.090 7.879 1.00 96.99 53 A 1 ATOM 440 C CZ . TYR A 0 53 . -2.580 -14.933 7.187 1.00 96.99 53 A 1 ATOM 441 N N . TRP A 0 54 . -1.462 -7.956 4.489 1.00 98.69 54 A 1 ATOM 442 C CA . TRP A 0 54 . -1.547 -6.749 3.666 1.00 98.69 54 A 1 ATOM 443 C C . TRP A 0 54 . -1.531 -7.061 2.168 1.00 98.69 54 A 1 ATOM 444 C CB . TRP A 0 54 . -0.417 -5.788 4.045 1.00 98.69 54 A 1 ATOM 445 O O . TRP A 0 54 . -0.877 -7.999 1.709 1.00 98.69 54 A 1 ATOM 446 C CG . TRP A 0 54 . -0.591 -5.141 5.382 1.00 98.69 54 A 1 ATOM 447 C CD1 . TRP A 0 54 . -0.203 -5.657 6.568 1.00 98.69 54 A 1 ATOM 448 C CD2 . TRP A 0 54 . -1.191 -3.848 5.685 1.00 98.69 54 A 1 ATOM 449 C CE2 . TRP A 0 54 . -1.119 -3.637 7.096 1.00 98.69 54 A 1 ATOM 450 C CE3 . TRP A 0 54 . -1.781 -2.831 4.907 1.00 98.69 54 A 1 ATOM 451 N NE1 . TRP A 0 54 . -0.511 -4.777 7.583 1.00 98.69 54 A 1 ATOM 452 C CH2 . TRP A 0 54 . -2.156 -1.459 6.892 1.00 98.69 54 A 1 ATOM 453 C CZ2 . TRP A 0 54 . -1.585 -2.459 7.699 1.00 98.69 54 A 1 ATOM 454 C CZ3 . TRP A 0 54 . -2.264 -1.650 5.503 1.00 98.69 54 A 1 ATOM 455 N N . HIS A 0 55 . -2.207 -6.228 1.391 1.00 98.61 55 A 1 ATOM 456 C CA . HIS A 0 55 . -2.195 -6.207 -0.065 1.00 98.61 55 A 1 ATOM 457 C C . HIS A 0 55 . -1.467 -4.948 -0.521 1.00 98.61 55 A 1 ATOM 458 C CB . HIS A 0 55 . -3.633 -6.218 -0.593 1.00 98.61 55 A 1 ATOM 459 O O . HIS A 0 55 . -1.759 -3.863 -0.026 1.00 98.61 55 A 1 ATOM 460 C CG . HIS A 0 55 . -4.408 -7.431 -0.159 1.00 98.61 55 A 1 ATOM 461 C CD2 . HIS A 0 55 . -5.133 -7.555 0.995 1.00 98.61 55 A 1 ATOM 462 N ND1 . HIS A 0 55 . -4.511 -8.624 -0.837 1.00 98.61 55 A 1 ATOM 463 C CE1 . HIS A 0 55 . -5.286 -9.445 -0.109 1.00 98.61 55 A 1 ATOM 464 N NE2 . HIS A 0 55 . -5.681 -8.839 1.017 1.00 98.61 55 A 1 ATOM 465 N N . CYS A 0 56 . -0.540 -5.085 -1.466 1.00 98.70 56 A 1 ATOM 466 C CA . CYS A 0 56 . 0.178 -3.957 -2.044 1.00 98.70 56 A 1 ATOM 467 C C . CYS A 0 56 . 0.106 -4.024 -3.569 1.00 98.70 56 A 1 ATOM 468 C CB . CYS A 0 56 . 1.618 -3.937 -1.520 1.00 98.70 56 A 1 ATOM 469 O O . CYS A 0 56 . 0.376 -5.073 -4.157 1.00 98.70 56 A 1 ATOM 470 S SG . CYS A 0 56 . 2.418 -2.399 -2.055 1.00 98.70 56 A 1 ATOM 471 N N . ILE A 0 57 . -0.272 -2.910 -4.189 1.00 98.54 57 A 1 ATOM 472 C CA . ILE A 0 57 . -0.303 -2.719 -5.637 1.00 98.54 57 A 1 ATOM 473 C C . ILE A 0 57 . 0.594 -1.528 -5.946 1.00 98.54 57 A 1 ATOM 474 C CB . ILE A 0 57 . -1.741 -2.501 -6.160 1.00 98.54 57 A 1 ATOM 475 O O . ILE A 0 57 . 0.420 -0.454 -5.371 1.00 98.54 57 A 1 ATOM 476 C CG1 . ILE A 0 57 . -2.697 -3.607 -5.651 1.00 98.54 57 A 1 ATOM 477 C CG2 . ILE A 0 57 . -1.740 -2.404 -7.696 1.00 98.54 57 A 1 ATOM 478 C CD1 . ILE A 0 57 . -4.151 -3.451 -6.109 1.00 98.54 57 A 1 ATOM 479 N N . VAL A 0 58 . 1.543 -1.730 -6.854 1.00 98.41 58 A 1 ATOM 480 C CA . VAL A 0 58 . 2.458 -0.701 -7.348 1.00 98.41 58 A 1 ATOM 481 C C . VAL A 0 58 . 2.321 -0.662 -8.861 1.00 98.41 58 A 1 ATOM 482 C CB . VAL A 0 58 . 3.909 -0.980 -6.920 1.00 98.41 58 A 1 ATOM 483 O O . VAL A 0 58 . 2.279 -1.713 -9.497 1.00 98.41 58 A 1 ATOM 484 C CG1 . VAL A 0 58 . 4.876 0.094 -7.432 1.00 98.41 58 A 1 ATOM 485 C CG2 . VAL A 0 58 . 4.023 -1.020 -5.390 1.00 98.41 58 A 1 ATOM 486 N N . GLY A 0 59 . 2.210 0.534 -9.426 1.00 96.30 59 A 1 ATOM 487 C CA . GLY A 0 59 . 2.088 0.712 -10.869 1.00 96.30 59 A 1 ATOM 488 C C . GLY A 0 59 . 2.132 2.178 -11.271 1.00 96.30 59 A 1 ATOM 489 O O . GLY A 0 59 . 1.829 3.043 -10.453 1.00 96.30 59 A 1 ATOM 490 N N . GLY A 0 60 . 2.452 2.479 -12.528 1.00 91.48 60 A 1 ATOM 491 C CA . GLY A 0 60 . 2.377 3.853 -13.047 1.00 91.48 60 A 1 ATOM 492 C C . GLY A 0 60 . 0.977 4.471 -12.904 1.00 91.48 60 A 1 ATOM 493 O O . GLY A 0 60 . 0.779 5.422 -12.148 1.00 91.48 60 A 1 ATOM 494 N N . THR A 0 61 . -0.019 3.902 -13.590 1.00 90.21 61 A 1 ATOM 495 C CA . THR A 0 61 . -1.420 4.353 -13.531 1.00 90.21 61 A 1 ATOM 496 C C . THR A 0 61 . -2.365 3.186 -13.305 1.00 90.21 61 A 1 ATOM 497 C CB . THR A 0 61 . -1.865 5.085 -14.807 1.00 90.21 61 A 1 ATOM 498 O O . THR A 0 61 . -2.386 2.240 -14.091 1.00 90.21 61 A 1 ATOM 499 C CG2 . THR A 0 61 . -1.121 6.402 -15.004 1.00 90.21 61 A 1 ATOM 500 O OG1 . THR A 0 61 . -1.656 4.290 -15.953 1.00 90.21 61 A 1 ATOM 501 N N . PHE A 0 62 . -3.204 3.291 -12.282 1.00 95.16 62 A 1 ATOM 502 C CA . PHE A 0 62 . -4.318 2.381 -12.055 1.00 95.16 62 A 1 ATOM 503 C C . PHE A 0 62 . -5.482 3.131 -11.410 1.00 95.16 62 A 1 ATOM 504 C CB . PHE A 0 62 . -3.861 1.182 -11.210 1.00 95.16 62 A 1 ATOM 505 O O . PHE A 0 62 . -5.335 4.242 -10.902 1.00 95.16 62 A 1 ATOM 506 C CG . PHE A 0 62 . -3.276 1.531 -9.855 1.00 95.16 62 A 1 ATOM 507 C CD1 . PHE A 0 62 . -1.883 1.508 -9.673 1.00 95.16 62 A 1 ATOM 508 C CD2 . PHE A 0 62 . -4.116 1.844 -8.768 1.00 95.16 62 A 1 ATOM 509 C CE1 . PHE A 0 62 . -1.339 1.764 -8.407 1.00 95.16 62 A 1 ATOM 510 C CE2 . PHE A 0 62 . -3.566 2.146 -7.511 1.00 95.16 62 A 1 ATOM 511 C CZ . PHE A 0 62 . -2.173 2.099 -7.328 1.00 95.16 62 A 1 ATOM 512 N N . SER A 0 63 . -6.654 2.509 -11.428 1.00 91.82 63 A 1 ATOM 513 C CA . SER A 0 63 . -7.816 2.931 -10.652 1.00 91.82 63 A 1 ATOM 514 C C . SER A 0 63 . -8.234 1.774 -9.760 1.00 91.82 63 A 1 ATOM 515 C CB . SER A 0 63 . -8.959 3.360 -11.571 1.00 91.82 63 A 1 ATOM 516 O O . SER A 0 63 . -8.197 0.620 -10.186 1.00 91.82 63 A 1 ATOM 517 O OG . SER A 0 63 . -8.539 4.460 -12.352 1.00 91.82 63 A 1 ATOM 518 N N . SER A 0 64 . -8.608 2.076 -8.523 1.00 92.88 64 A 1 ATOM 519 C CA . SER A 0 64 . -8.970 1.068 -7.530 1.00 92.88 64 A 1 ATOM 520 C C . SER A 0 64 . -10.243 1.452 -6.794 1.00 92.88 64 A 1 ATOM 521 C CB . SER A 0 64 . -7.826 0.873 -6.533 1.00 92.88 64 A 1 ATOM 522 O O . SER A 0 64 . -10.416 2.606 -6.412 1.00 92.88 64 A 1 ATOM 523 O OG . SER A 0 64 . -7.492 2.092 -5.893 1.00 92.88 64 A 1 ATOM 524 N N . PHE A 0 65 . -11.091 0.462 -6.540 1.00 94.08 65 A 1 ATOM 525 C CA . PHE A 0 65 . -12.214 0.555 -5.617 1.00 94.08 65 A 1 ATOM 526 C C . PHE A 0 65 . -12.222 -0.743 -4.815 1.00 94.08 65 A 1 ATOM 527 C CB . PHE A 0 65 . -13.514 0.783 -6.400 1.00 94.08 65 A 1 ATOM 528 O O . PHE A 0 65 . -12.556 -1.799 -5.351 1.00 94.08 65 A 1 ATOM 529 C CG . PHE A 0 65 . -14.666 1.202 -5.514 1.00 94.08 65 A 1 ATOM 530 C CD1 . PHE A 0 65 . -15.663 0.281 -5.140 1.00 94.08 65 A 1 ATOM 531 C CD2 . PHE A 0 65 . -14.726 2.528 -5.045 1.00 94.08 65 A 1 ATOM 532 C CE1 . PHE A 0 65 . -16.722 0.692 -4.309 1.00 94.08 65 A 1 ATOM 533 C CE2 . PHE A 0 65 . -15.781 2.935 -4.211 1.00 94.08 65 A 1 ATOM 534 C CZ . PHE A 0 65 . -16.781 2.018 -3.846 1.00 94.08 65 A 1 ATOM 535 N N . VAL A 0 66 . -11.736 -0.685 -3.579 1.00 95.99 66 A 1 ATOM 536 C CA . VAL A 0 66 . -11.507 -1.870 -2.743 1.00 95.99 66 A 1 ATOM 537 C C . VAL A 0 66 . -12.304 -1.756 -1.454 1.00 95.99 66 A 1 ATOM 538 C CB . VAL A 0 66 . -10.009 -2.124 -2.467 1.00 95.99 66 A 1 ATOM 539 O O . VAL A 0 66 . -12.521 -0.660 -0.944 1.00 95.99 66 A 1 ATOM 540 C CG1 . VAL A 0 66 . -9.232 -2.327 -3.776 1.00 95.99 66 A 1 ATOM 541 C CG2 . VAL A 0 66 . -9.333 -0.997 -1.680 1.00 95.99 66 A 1 ATOM 542 N N . SER A 0 67 . -12.744 -2.895 -0.929 1.00 97.32 67 A 1 ATOM 543 C CA . SER A 0 67 . -13.173 -2.990 0.464 1.00 97.32 67 A 1 ATOM 544 C C . SER A 0 67 . -11.948 -3.233 1.338 1.00 97.32 67 A 1 ATOM 545 C CB . SER A 0 67 . -14.198 -4.110 0.647 1.00 97.32 67 A 1 ATOM 546 O O . SER A 0 67 . -11.100 -4.057 0.994 1.00 97.32 67 A 1 ATOM 547 O OG . SER A 0 67 . -15.316 -3.878 -0.190 1.00 97.32 67 A 1 ATOM 548 N N . HIS A 0 68 . -11.859 -2.530 2.464 1.00 97.19 68 A 1 ATOM 549 C CA . HIS A 0 68 . -10.725 -2.628 3.376 1.00 97.19 68 A 1 ATOM 550 C C . HIS A 0 68 . -11.154 -2.610 4.843 1.00 97.19 68 A 1 ATOM 551 C CB . HIS A 0 68 . -9.706 -1.521 3.062 1.00 97.19 68 A 1 ATOM 552 O O . HIS A 0 68 . -12.220 -2.106 5.198 1.00 97.19 68 A 1 ATOM 553 C CG . HIS A 0 68 . -10.252 -0.121 3.187 1.00 97.19 68 A 1 ATOM 554 C CD2 . HIS A 0 68 . -10.183 0.670 4.294 1.00 97.19 68 A 1 ATOM 555 N ND1 . HIS A 0 68 . -10.862 0.600 2.162 1.00 97.19 68 A 1 ATOM 556 C CE1 . HIS A 0 68 . -11.136 1.810 2.676 1.00 97.19 68 A 1 ATOM 557 N NE2 . HIS A 0 68 . -10.745 1.877 3.961 1.00 97.19 68 A 1 ATOM 558 N N . GLU A 0 69 . -10.307 -3.170 5.702 1.00 97.88 69 A 1 ATOM 559 C CA . GLU A 0 69 . -10.434 -3.041 7.152 1.00 97.88 69 A 1 ATOM 560 C C . GLU A 0 69 . -10.250 -1.578 7.585 1.00 97.88 69 A 1 ATOM 561 C CB . GLU A 0 69 . -9.362 -3.862 7.880 1.00 97.88 69 A 1 ATOM 562 O O . GLU A 0 69 . -9.351 -0.886 7.105 1.00 97.88 69 A 1 ATOM 563 C CG . GLU A 0 69 . -9.435 -5.390 7.761 1.00 97.88 69 A 1 ATOM 564 C CD . GLU A 0 69 . -8.270 -6.046 8.539 1.00 97.88 69 A 1 ATOM 565 O OE1 . GLU A 0 69 . -7.776 -7.118 8.137 1.00 97.88 69 A 1 ATOM 566 O OE2 . GLU A 0 69 . -7.776 -5.442 9.526 1.00 97.88 69 A 1 ATOM 567 N N . ALA A 0 70 . -11.026 -1.129 8.574 1.00 97.54 70 A 1 ATOM 568 C CA . ALA A 0 70 . -10.900 0.223 9.114 1.00 97.54 70 A 1 ATOM 569 C C . ALA A 0 70 . -9.477 0.523 9.624 1.00 97.54 70 A 1 ATOM 570 C CB . ALA A 0 70 . -11.937 0.417 10.227 1.00 97.54 70 A 1 ATOM 571 O O . ALA A 0 70 . -8.864 -0.268 10.359 1.00 97.54 70 A 1 ATOM 572 N N . ASN A 0 71 . -8.984 1.725 9.334 1.00 97.93 71 A 1 ATOM 573 C CA . ASN A 0 71 . -7.645 2.195 9.697 1.00 97.93 71 A 1 ATOM 574 C C . ASN A 0 71 . -6.501 1.370 9.066 1.00 97.93 71 A 1 ATOM 575 C CB . ASN A 0 71 . -7.482 2.328 11.225 1.00 97.93 71 A 1 ATOM 576 O O . ASN A 0 71 . -5.439 1.232 9.693 1.00 97.93 71 A 1 ATOM 577 C CG . ASN A 0 71 . -8.598 3.081 11.907 1.00 97.93 71 A 1 ATOM 578 N ND2 . ASN A 0 71 . -9.583 2.385 12.426 1.00 97.93 71 A 1 ATOM 579 O OD1 . ASN A 0 71 . -8.553 4.283 12.065 1.00 97.93 71 A 1 ATOM 580 N N . LYS A 0 72 . -6.731 0.732 7.909 1.00 98.43 72 A 1 ATOM 581 C CA . LYS A 0 72 . -5.756 -0.112 7.193 1.00 98.43 72 A 1 ATOM 582 C C . LYS A 0 72 . -5.752 0.148 5.687 1.00 98.43 72 A 1 ATOM 583 C CB . LYS A 0 72 . -6.001 -1.613 7.467 1.00 98.43 72 A 1 ATOM 584 O O . LYS A 0 72 . -5.676 -0.807 4.921 1.00 98.43 72 A 1 ATOM 585 C CG . LYS A 0 72 . -6.021 -2.030 8.934 1.00 98.43 72 A 1 ATOM 586 C CD . LYS A 0 72 . -4.633 -1.907 9.585 1.00 98.43 72 A 1 ATOM 587 C CE . LYS A 0 72 . -4.740 -2.010 11.103 1.00 98.43 72 A 1 ATOM 588 N NZ . LYS A 0 72 . -5.557 -0.884 11.612 1.00 98.43 72 A 1 ATOM 589 N N . PHE A 0 73 . -5.825 1.403 5.250 1.00 98.53 73 A 1 ATOM 590 C CA . PHE A 0 73 . -5.791 1.748 3.824 1.00 98.53 73 A 1 ATOM 591 C C . PHE A 0 73 . -4.996 3.023 3.551 1.00 98.53 73 A 1 ATOM 592 C CB . PHE A 0 73 . -7.227 1.868 3.315 1.00 98.53 73 A 1 ATOM 593 O O . PHE A 0 73 . -5.127 4.013 4.270 1.00 98.53 73 A 1 ATOM 594 C CG . PHE A 0 73 . -7.370 2.412 1.911 1.00 98.53 73 A 1 ATOM 595 C CD1 . PHE A 0 73 . -7.320 3.799 1.675 1.00 98.53 73 A 1 ATOM 596 C CD2 . PHE A 0 73 . -7.581 1.529 0.840 1.00 98.53 73 A 1 ATOM 597 C CE1 . PHE A 0 73 . -7.432 4.295 0.367 1.00 98.53 73 A 1 ATOM 598 C CE2 . PHE A 0 73 . -7.715 2.031 -0.462 1.00 98.53 73 A 1 ATOM 599 C CZ . PHE A 0 73 . -7.622 3.412 -0.705 1.00 98.53 73 A 1 ATOM 600 N N . ILE A 0 74 . -4.179 3.009 2.499 1.00 98.68 74 A 1 ATOM 601 C CA . ILE A 0 74 . -3.505 4.196 1.975 1.00 98.68 74 A 1 ATOM 602 C C . ILE A 0 74 . -3.281 4.081 0.466 1.00 98.68 74 A 1 ATOM 603 C CB . ILE A 0 74 . -2.199 4.471 2.756 1.00 98.68 74 A 1 ATOM 604 O O . ILE A 0 74 . -2.914 3.024 -0.053 1.00 98.68 74 A 1 ATOM 605 C CG1 . ILE A 0 74 . -1.647 5.876 2.450 1.00 98.68 74 A 1 ATOM 606 C CG2 . ILE A 0 74 . -1.146 3.366 2.566 1.00 98.68 74 A 1 ATOM 607 C CD1 . ILE A 0 74 . -0.383 6.212 3.248 1.00 98.68 74 A 1 ATOM 608 N N . TYR A 0 75 . -3.471 5.201 -0.224 1.00 98.34 75 A 1 ATOM 609 C CA . TYR A 0 75 . -3.151 5.410 -1.627 1.00 98.34 75 A 1 ATOM 610 C C . TYR A 0 75 . -2.305 6.675 -1.778 1.00 98.34 75 A 1 ATOM 611 C CB . TYR A 0 75 . -4.445 5.520 -2.438 1.00 98.34 75 A 1 ATOM 612 O O . TYR A 0 75 . -2.712 7.766 -1.364 1.00 98.34 75 A 1 ATOM 613 C CG . TYR A 0 75 . -4.229 5.825 -3.909 1.00 98.34 75 A 1 ATOM 614 C CD1 . TYR A 0 75 . -4.957 6.864 -4.518 1.00 98.34 75 A 1 ATOM 615 C CD2 . TYR A 0 75 . -3.312 5.074 -4.668 1.00 98.34 75 A 1 ATOM 616 C CE1 . TYR A 0 75 . -4.749 7.172 -5.875 1.00 98.34 75 A 1 ATOM 617 C CE2 . TYR A 0 75 . -3.112 5.371 -6.027 1.00 98.34 75 A 1 ATOM 618 O OH . TYR A 0 75 . -3.705 6.668 -7.962 1.00 98.34 75 A 1 ATOM 619 C CZ . TYR A 0 75 . -3.834 6.419 -6.635 1.00 98.34 75 A 1 ATOM 620 N N . PHE A 0 76 . -1.120 6.548 -2.371 1.00 97.88 76 A 1 ATOM 621 C CA . PHE A 0 76 . -0.208 7.675 -2.551 1.00 97.88 76 A 1 ATOM 622 C C . PHE A 0 76 . 0.662 7.542 -3.800 1.00 97.88 76 A 1 ATOM 623 C CB . PHE A 0 76 . 0.642 7.864 -1.285 1.00 97.88 76 A 1 ATOM 624 O O . PHE A 0 76 . 0.849 6.454 -4.343 1.00 97.88 76 A 1 ATOM 625 C CG . PHE A 0 76 . 1.609 6.746 -0.950 1.00 97.88 76 A 1 ATOM 626 C CD1 . PHE A 0 76 . 1.148 5.586 -0.298 1.00 97.88 76 A 1 ATOM 627 C CD2 . PHE A 0 76 . 2.979 6.883 -1.244 1.00 97.88 76 A 1 ATOM 628 C CE1 . PHE A 0 76 . 2.049 4.578 0.078 1.00 97.88 76 A 1 ATOM 629 C CE2 . PHE A 0 76 . 3.881 5.873 -0.866 1.00 97.88 76 A 1 ATOM 630 C CZ . PHE A 0 76 . 3.417 4.726 -0.199 1.00 97.88 76 A 1 ATOM 631 N N . PHE A 0 77 . 1.202 8.675 -4.247 1.00 96.70 77 A 1 ATOM 632 C CA . PHE A 0 77 . 2.231 8.726 -5.282 1.00 96.70 77 A 1 ATOM 633 C C . PHE A 0 77 . 3.611 8.901 -4.663 1.00 96.70 77 A 1 ATOM 634 C CB . PHE A 0 77 . 1.949 9.852 -6.287 1.00 96.70 77 A 1 ATOM 635 O O . PHE A 0 77 . 3.778 9.722 -3.757 1.00 96.70 77 A 1 ATOM 636 C CG . PHE A 0 77 . 0.608 9.792 -6.991 1.00 96.70 77 A 1 ATOM 637 C CD1 . PHE A 0 77 . 0.091 8.560 -7.415 1.00 96.70 77 A 1 ATOM 638 C CD2 . PHE A 0 77 . -0.081 10.971 -7.323 1.00 96.70 77 A 1 ATOM 639 C CE1 . PHE A 0 77 . -1.118 8.497 -8.117 1.00 96.70 77 A 1 ATOM 640 C CE2 . PHE A 0 77 . -1.270 10.905 -8.076 1.00 96.70 77 A 1 ATOM 641 C CZ . PHE A 0 77 . -1.812 9.664 -8.441 1.00 96.70 77 A 1 ATOM 642 N N . LEU A 0 78 . 4.595 8.177 -5.195 1.00 95.60 78 A 1 ATOM 643 C CA . LEU A 0 78 . 6.006 8.324 -4.858 1.00 95.60 78 A 1 ATOM 644 C C . LEU A 0 78 . 6.845 8.256 -6.144 1.00 95.60 78 A 1 ATOM 645 C CB . LEU A 0 78 . 6.381 7.254 -3.814 1.00 95.60 78 A 1 ATOM 646 O O . LEU A 0 78 . 6.985 7.210 -6.780 1.00 95.60 78 A 1 ATOM 647 C CG . LEU A 0 78 . 7.763 7.461 -3.175 1.00 95.60 78 A 1 ATOM 648 C CD1 . LEU A 0 78 . 7.815 8.710 -2.287 1.00 95.60 78 A 1 ATOM 649 C CD2 . LEU A 0 78 . 8.112 6.284 -2.269 1.00 95.60 78 A 1 ATOM 650 N N . GLY A 0 79 . 7.368 9.406 -6.571 1.00 91.90 79 A 1 ATOM 651 C CA . GLY A 0 79 . 8.024 9.533 -7.873 1.00 91.90 79 A 1 ATOM 652 C C . GLY A 0 79 . 7.044 9.260 -9.019 1.00 91.90 79 A 1 ATOM 653 O O . GLY A 0 79 . 6.010 9.914 -9.113 1.00 91.90 79 A 1 ATOM 654 N N . ASN A 0 80 . 7.367 8.288 -9.876 1.00 91.32 80 A 1 ATOM 655 C CA . ASN A 0 80 . 6.512 7.869 -10.993 1.00 91.32 80 A 1 ATOM 656 C C . ASN A 0 80 . 5.587 6.690 -10.643 1.00 91.32 80 A 1 ATOM 657 C CB . ASN A 0 80 . 7.395 7.546 -12.210 1.00 91.32 80 A 1 ATOM 658 O O . ASN A 0 80 . 4.908 6.178 -11.531 1.00 91.32 80 A 1 ATOM 659 C CG . ASN A 0 80 . 8.101 8.749 -12.804 1.00 91.32 80 A 1 ATOM 660 N ND2 . ASN A 0 80 . 9.064 8.507 -13.662 1.00 91.32 80 A 1 ATOM 661 O OD1 . ASN A 0 80 . 7.826 9.905 -12.535 1.00 91.32 80 A 1 ATOM 662 N N . HIS A 0 81 . 5.572 6.242 -9.385 1.00 94.91 81 A 1 ATOM 663 C CA . HIS A 0 81 . 4.783 5.090 -8.962 1.00 94.91 81 A 1 ATOM 664 C C . HIS A 0 81 . 3.561 5.525 -8.160 1.00 94.91 81 A 1 ATOM 665 C CB . HIS A 0 81 . 5.648 4.102 -8.174 1.00 94.91 81 A 1 ATOM 666 O O . HIS A 0 81 . 3.645 6.331 -7.231 1.00 94.91 81 A 1 ATOM 667 C CG . HIS A 0 81 . 6.842 3.621 -8.953 1.00 94.91 81 A 1 ATOM 668 C CD2 . HIS A 0 81 . 6.864 2.684 -9.952 1.00 94.91 81 A 1 ATOM 669 N ND1 . HIS A 0 81 . 8.129 4.066 -8.781 1.00 94.91 81 A 1 ATOM 670 C CE1 . HIS A 0 81 . 8.916 3.408 -9.648 1.00 94.91 81 A 1 ATOM 671 N NE2 . HIS A 0 81 . 8.187 2.565 -10.390 1.00 94.91 81 A 1 ATOM 672 N N . SER A 0 82 . 2.430 4.928 -8.504 1.00 97.57 82 A 1 ATOM 673 C CA . SER A 0 82 . 1.234 4.874 -7.679 1.00 97.57 82 A 1 ATOM 674 C C . SER A 0 82 . 1.310 3.656 -6.768 1.00 97.57 82 A 1 ATOM 675 C CB . SER A 0 82 . -0.010 4.816 -8.570 1.00 97.57 82 A 1 ATOM 676 O O . SER A 0 82 . 1.659 2.569 -7.226 1.00 97.57 82 A 1 ATOM 677 O OG . SER A 0 82 . -0.065 5.885 -9.492 1.00 97.57 82 A 1 ATOM 678 N N . ILE A 0 83 . 0.997 3.830 -5.485 1.00 98.49 83 A 1 ATOM 679 C CA . ILE A 0 83 . 1.089 2.775 -4.471 1.00 98.49 83 A 1 ATOM 680 C C . ILE A 0 83 . -0.228 2.710 -3.708 1.00 98.49 83 A 1 ATOM 681 C CB . ILE A 0 83 . 2.294 3.001 -3.528 1.00 98.49 83 A 1 ATOM 682 O O . ILE A 0 83 . -0.649 3.693 -3.098 1.00 98.49 83 A 1 ATOM 683 C CG1 . ILE A 0 83 . 3.597 3.130 -4.355 1.00 98.49 83 A 1 ATOM 684 C CG2 . ILE A 0 83 . 2.378 1.844 -2.509 1.00 98.49 83 A 1 ATOM 685 C CD1 . ILE A 0 83 . 4.866 3.372 -3.539 1.00 98.49 83 A 1 ATOM 686 N N . LEU A 0 84 . -0.869 1.544 -3.744 1.00 98.68 84 A 1 ATOM 687 C CA . LEU A 0 84 . -2.053 1.214 -2.958 1.00 98.68 84 A 1 ATOM 688 C C . LEU A 0 84 . -1.689 0.123 -1.956 1.00 98.68 84 A 1 ATOM 689 C CB . LEU A 0 84 . -3.172 0.748 -3.899 1.00 98.68 84 A 1 ATOM 690 O O . LEU A 0 84 . -1.214 -0.944 -2.349 1.00 98.68 84 A 1 ATOM 691 C CG . LEU A 0 84 . -4.518 0.519 -3.199 1.00 98.68 84 A 1 ATOM 692 C CD1 . LEU A 0 84 . -5.151 1.852 -2.834 1.00 98.68 84 A 1 ATOM 693 C CD2 . LEU A 0 84 . -5.464 -0.241 -4.125 1.00 98.68 84 A 1 ATOM 694 N N . LEU A 0 85 . -1.931 0.371 -0.675 1.00 98.82 85 A 1 ATOM 695 C CA . LEU A 0 85 . -1.616 -0.552 0.408 1.00 98.82 85 A 1 ATOM 696 C C . LEU A 0 85 . -2.809 -0.654 1.352 1.00 98.82 85 A 1 ATOM 697 C CB . LEU A 0 85 . -0.340 -0.055 1.095 1.00 98.82 85 A 1 ATOM 698 O O . LEU A 0 85 . -3.245 0.350 1.916 1.00 98.82 85 A 1 ATOM 699 C CG . LEU A 0 85 . 0.084 -0.843 2.342 1.00 98.82 85 A 1 ATOM 700 C CD1 . LEU A 0 85 . 0.497 -2.280 2.021 1.00 98.82 85 A 1 ATOM 701 C CD2 . LEU A 0 85 . 1.275 -0.120 2.950 1.00 98.82 85 A 1 ATOM 702 N N . TYR A 0 86 . -3.346 -1.860 1.519 1.00 98.62 86 A 1 ATOM 703 C CA . TYR A 0 86 . -4.532 -2.064 2.345 1.00 98.62 86 A 1 ATOM 704 C C . TYR A 0 86 . -4.630 -3.469 2.939 1.00 98.62 86 A 1 ATOM 705 C CB . TYR A 0 86 . -5.799 -1.702 1.550 1.00 98.62 86 A 1 ATOM 706 O O . TYR A 0 86 . -3.965 -4.392 2.471 1.00 98.62 86 A 1 ATOM 707 C CG . TYR A 0 86 . -6.129 -2.651 0.413 1.00 98.62 86 A 1 ATOM 708 C CD1 . TYR A 0 86 . -5.401 -2.585 -0.792 1.00 98.62 86 A 1 ATOM 709 C CD2 . TYR A 0 86 . -7.159 -3.601 0.558 1.00 98.62 86 A 1 ATOM 710 C CE1 . TYR A 0 86 . -5.688 -3.471 -1.846 1.00 98.62 86 A 1 ATOM 711 C CE2 . TYR A 0 86 . -7.447 -4.493 -0.491 1.00 98.62 86 A 1 ATOM 712 O OH . TYR A 0 86 . -6.989 -5.291 -2.707 1.00 98.62 86 A 1 ATOM 713 C CZ . TYR A 0 86 . -6.711 -4.431 -1.692 1.00 98.62 86 A 1 ATOM 714 N N . LYS A 0 87 . -5.476 -3.650 3.956 1.00 98.16 87 A 1 ATOM 715 C CA . LYS A 0 87 . -5.937 -4.976 4.406 1.00 98.16 87 A 1 ATOM 716 C C . LYS A 0 87 . -7.397 -5.170 4.036 1.00 98.16 87 A 1 ATOM 717 C CB . LYS A 0 87 . -5.778 -5.157 5.916 1.00 98.16 87 A 1 ATOM 718 O O . LYS A 0 87 . -8.172 -4.227 4.160 1.00 98.16 87 A 1 ATOM 719 C CG . LYS A 0 87 . -4.316 -5.088 6.354 1.00 98.16 87 A 1 ATOM 720 C CD . LYS A 0 87 . -4.193 -5.334 7.856 1.00 98.16 87 A 1 ATOM 721 C CE . LYS A 0 87 . -4.417 -6.804 8.200 1.00 98.16 87 A 1 ATOM 722 N NZ . LYS A 0 87 . -3.343 -7.279 9.097 1.00 98.16 87 A 1 ATOM 723 N N . SER A 0 88 . -7.764 -6.375 3.617 1.00 94.42 88 A 1 ATOM 724 C CA . SER A 0 88 . -9.162 -6.784 3.450 1.00 94.42 88 A 1 ATOM 725 C C . SER A 0 88 . -9.623 -7.593 4.660 1.00 94.42 88 A 1 ATOM 726 C CB . SER A 0 88 . -9.324 -7.607 2.169 1.00 94.42 88 A 1 ATOM 727 O O . SER A 0 88 . -8.797 -8.235 5.306 1.00 94.42 88 A 1 ATOM 728 O OG . SER A 0 88 . -10.669 -8.024 2.012 1.00 94.42 88 A 1 ATOM 729 N N . LEU A 0 89 . -10.938 -7.566 4.912 1.00 86.73 89 A 1 ATOM 730 C CA . LEU A 0 89 . -11.636 -8.505 5.797 1.00 86.73 89 A 1 ATOM 731 C C . LEU A 0 89 . -11.406 -9.961 5.372 1.00 86.73 89 A 1 ATOM 732 C CB . LEU A 0 89 . -13.149 -8.184 5.788 1.00 86.73 89 A 1 ATOM 733 O O . LEU A 0 89 . -11.261 -10.183 4.143 1.00 86.73 89 A 1 ATOM 734 C CG . LEU A 0 89 . -13.551 -6.822 6.369 1.00 86.73 89 A 1 ATOM 735 C CD1 . LEU A 0 89 . -15.023 -6.557 6.053 1.00 86.73 89 A 1 ATOM 736 C CD2 . LEU A 0 89 . -13.376 -6.784 7.886 1.00 86.73 89 A 1 ATOM 737 O OXT . LEU A 0 89 . -11.464 -10.804 6.292 1.00 86.73 89 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 95.39 # loop_ _atom_type.symbol C N O S #