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 THR 0 3 LYS 0 4 LYS 0 5 SER 0 6 ARG 0 7 ASP 0 8 ASP 0 9 LEU 0 10 LEU 0 11 SER 0 12 PHE 0 13 LEU 0 14 LYS 0 15 ALA 0 16 VAL 0 17 GLY 0 18 LYS 0 19 ASN 0 20 TYR 0 21 GLU 0 22 SER 0 23 ARG 0 24 ASN 0 25 PHE 0 26 LEU 0 27 GLU 0 28 LYS 0 29 ASP 0 30 ASN 0 31 GLU 0 32 PHE 0 33 SER 0 34 SER 0 35 VAL 0 36 VAL 0 37 SER 0 38 ASP 0 39 LEU 0 40 VAL 0 41 PHE 0 42 GLU 0 43 LEU 0 44 GLY 0 45 LYS 0 46 SER 0 47 HIS 0 48 ASP 0 49 VAL 0 50 SER 0 51 SER 0 52 ASN 0 53 VAL 0 54 TYR 0 55 PRO 0 56 LEU 0 57 THR 0 58 GLY 0 59 TYR 0 60 ARG 0 61 PHE 0 62 ILE 0 63 PHE 0 64 LYS 0 65 ALA 0 66 ILE 0 67 SER 0 68 PRO 0 69 PHE 0 70 TYR 0 71 LYS 0 72 PHE 0 73 ARG # 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 . -16.663 -0.843 -4.880 1.00 52.93 1 A 1 ATOM 2 C CA . MET A 0 1 . -15.865 -2.052 -4.558 1.00 52.93 1 A 1 ATOM 3 C C . MET A 0 1 . -16.709 -3.024 -3.748 1.00 52.93 1 A 1 ATOM 4 C CB . MET A 0 1 . -14.601 -1.685 -3.769 1.00 52.93 1 A 1 ATOM 5 O O . MET A 0 1 . -17.519 -2.577 -2.946 1.00 52.93 1 A 1 ATOM 6 C CG . MET A 0 1 . -13.495 -1.234 -4.720 1.00 52.93 1 A 1 ATOM 7 S SD . MET A 0 1 . -12.079 -0.504 -3.886 1.00 52.93 1 A 1 ATOM 8 C CE . MET A 0 1 . -11.145 -1.962 -3.343 1.00 52.93 1 A 1 ATOM 9 N N . THR A 0 2 . -16.555 -4.333 -3.951 1.00 64.90 2 A 1 ATOM 10 C CA . THR A 0 2 . -17.179 -5.357 -3.091 1.00 64.90 2 A 1 ATOM 11 C C . THR A 0 2 . -16.390 -5.472 -1.781 1.00 64.90 2 A 1 ATOM 12 C CB . THR A 0 2 . -17.238 -6.719 -3.809 1.00 64.90 2 A 1 ATOM 13 O O . THR A 0 2 . -15.167 -5.330 -1.801 1.00 64.90 2 A 1 ATOM 14 C CG2 . THR A 0 2 . -18.244 -6.721 -4.958 1.00 64.90 2 A 1 ATOM 15 O OG1 . THR A 0 2 . -15.978 -7.033 -4.353 1.00 64.90 2 A 1 ATOM 16 N N . LYS A 0 3 . -17.048 -5.738 -0.639 1.00 68.63 3 A 1 ATOM 17 C CA . LYS A 0 3 . -16.374 -5.832 0.680 1.00 68.63 3 A 1 ATOM 18 C C . LYS A 0 3 . -15.145 -6.753 0.652 1.00 68.63 3 A 1 ATOM 19 C CB . LYS A 0 3 . -17.351 -6.299 1.775 1.00 68.63 3 A 1 ATOM 20 O O . LYS A 0 3 . -14.092 -6.357 1.127 1.00 68.63 3 A 1 ATOM 21 C CG . LYS A 0 3 . -18.309 -5.190 2.242 1.00 68.63 3 A 1 ATOM 22 C CD . LYS A 0 3 . -19.223 -5.700 3.368 1.00 68.63 3 A 1 ATOM 23 C CE . LYS A 0 3 . -20.154 -4.585 3.864 1.00 68.63 3 A 1 ATOM 24 N NZ . LYS A 0 3 . -21.107 -5.074 4.895 1.00 68.63 3 A 1 ATOM 25 N N . LYS A 0 4 . -15.249 -7.898 -0.032 1.00 74.04 4 A 1 ATOM 26 C CA . LYS A 0 4 . -14.142 -8.848 -0.221 1.00 74.04 4 A 1 ATOM 27 C C . LYS A 0 4 . -12.900 -8.201 -0.852 1.00 74.04 4 A 1 ATOM 28 C CB . LYS A 0 4 . -14.651 -10.053 -1.027 1.00 74.04 4 A 1 ATOM 29 O O . LYS A 0 4 . -11.831 -8.263 -0.268 1.00 74.04 4 A 1 ATOM 30 C CG . LYS A 0 4 . -13.597 -11.166 -1.074 1.00 74.04 4 A 1 ATOM 31 C CD . LYS A 0 4 . -14.113 -12.406 -1.811 1.00 74.04 4 A 1 ATOM 32 C CE . LYS A 0 4 . -12.988 -13.444 -1.806 1.00 74.04 4 A 1 ATOM 33 N NZ . LYS A 0 4 . -13.369 -14.691 -2.515 1.00 74.04 4 A 1 ATOM 34 N N . SER A 0 5 . -13.061 -7.489 -1.974 1.00 76.62 5 A 1 ATOM 35 C CA . SER A 0 5 . -11.942 -6.792 -2.639 1.00 76.62 5 A 1 ATOM 36 C C . SER A 0 5 . -11.284 -5.723 -1.761 1.00 76.62 5 A 1 ATOM 37 C CB . SER A 0 5 . -12.410 -6.155 -3.957 1.00 76.62 5 A 1 ATOM 38 O O . SER A 0 5 . -10.093 -5.456 -1.888 1.00 76.62 5 A 1 ATOM 39 O OG . SER A 0 5 . -13.370 -5.120 -3.769 1.00 76.62 5 A 1 ATOM 40 N N . ARG A 0 6 . -12.059 -5.114 -0.856 1.00 75.91 6 A 1 ATOM 41 C CA . ARG A 0 6 . -11.565 -4.119 0.093 1.00 75.91 6 A 1 ATOM 42 C C . ARG A 0 6 . -10.709 -4.773 1.179 1.00 75.91 6 A 1 ATOM 43 C CB . ARG A 0 6 . -12.769 -3.367 0.672 1.00 75.91 6 A 1 ATOM 44 O O . ARG A 0 6 . -9.641 -4.257 1.485 1.00 75.91 6 A 1 ATOM 45 C CG . ARG A 0 6 . -12.324 -2.127 1.444 1.00 75.91 6 A 1 ATOM 46 C CD . ARG A 0 6 . -13.470 -1.475 2.213 1.00 75.91 6 A 1 ATOM 47 N NE . ARG A 0 6 . -13.998 -2.387 3.246 1.00 75.91 6 A 1 ATOM 48 N NH1 . ARG A 0 6 . -15.295 -0.844 4.323 1.00 75.91 6 A 1 ATOM 49 N NH2 . ARG A 0 6 . -15.056 -2.905 5.175 1.00 75.91 6 A 1 ATOM 50 C CZ . ARG A 0 6 . -14.781 -2.038 4.244 1.00 75.91 6 A 1 ATOM 51 N N . ASP A 0 7 . -11.157 -5.898 1.730 1.00 80.23 7 A 1 ATOM 52 C CA . ASP A 0 7 . -10.413 -6.650 2.747 1.00 80.23 7 A 1 ATOM 53 C C . ASP A 0 7 . -9.141 -7.300 2.174 1.00 80.23 7 A 1 ATOM 54 C CB . ASP A 0 7 . -11.339 -7.685 3.407 1.00 80.23 7 A 1 ATOM 55 O O . ASP A 0 7 . -8.098 -7.280 2.832 1.00 80.23 7 A 1 ATOM 56 C CG . ASP A 0 7 . -12.469 -7.029 4.217 1.00 80.23 7 A 1 ATOM 57 O OD1 . ASP A 0 7 . -12.192 -6.053 4.959 1.00 80.23 7 A 1 ATOM 58 O OD2 . ASP A 0 7 . -13.633 -7.469 4.071 1.00 80.23 7 A 1 ATOM 59 N N . ASP A 0 8 . -9.188 -7.787 0.929 1.00 83.13 8 A 1 ATOM 60 C CA . ASP A 0 8 . -8.006 -8.282 0.208 1.00 83.13 8 A 1 ATOM 61 C C . ASP A 0 8 . -6.964 -7.159 0.035 1.00 83.13 8 A 1 ATOM 62 C CB . ASP A 0 8 . -8.416 -8.852 -1.167 1.00 83.13 8 A 1 ATOM 63 O O . ASP A 0 8 . -5.784 -7.339 0.348 1.00 83.13 8 A 1 ATOM 64 C CG . ASP A 0 8 . -9.278 -10.126 -1.116 1.00 83.13 8 A 1 ATOM 65 O OD1 . ASP A 0 8 . -9.146 -10.907 -0.149 1.00 83.13 8 A 1 ATOM 66 O OD2 . ASP A 0 8 . -10.071 -10.334 -2.069 1.00 83.13 8 A 1 ATOM 67 N N . LEU A 0 9 . -7.403 -5.964 -0.384 1.00 80.54 9 A 1 ATOM 68 C CA . LEU A 0 9 . -6.526 -4.801 -0.542 1.00 80.54 9 A 1 ATOM 69 C C . LEU A 0 9 . -5.959 -4.313 0.801 1.00 80.54 9 A 1 ATOM 70 C CB . LEU A 0 9 . -7.292 -3.694 -1.290 1.00 80.54 9 A 1 ATOM 71 O O . LEU A 0 9 . -4.772 -4.013 0.889 1.00 80.54 9 A 1 ATOM 72 C CG . LEU A 0 9 . -6.426 -2.475 -1.659 1.00 80.54 9 A 1 ATOM 73 C CD1 . LEU A 0 9 . -5.309 -2.819 -2.644 1.00 80.54 9 A 1 ATOM 74 C CD2 . LEU A 0 9 . -7.288 -1.399 -2.320 1.00 80.54 9 A 1 ATOM 75 N N . LEU A 0 10 . -6.770 -4.275 1.863 1.00 82.47 10 A 1 ATOM 76 C CA . LEU A 0 10 . -6.308 -3.946 3.217 1.00 82.47 10 A 1 ATOM 77 C C . LEU A 0 10 . -5.268 -4.946 3.729 1.00 82.47 10 A 1 ATOM 78 C CB . LEU A 0 10 . -7.508 -3.939 4.177 1.00 82.47 10 A 1 ATOM 79 O O . LEU A 0 10 . -4.295 -4.547 4.364 1.00 82.47 10 A 1 ATOM 80 C CG . LEU A 0 10 . -8.382 -2.684 4.067 1.00 82.47 10 A 1 ATOM 81 C CD1 . LEU A 0 10 . -9.709 -2.935 4.777 1.00 82.47 10 A 1 ATOM 82 C CD2 . LEU A 0 10 . -7.700 -1.481 4.718 1.00 82.47 10 A 1 ATOM 83 N N . SER A 0 11 . -5.463 -6.236 3.454 1.00 82.18 11 A 1 ATOM 84 C CA . SER A 0 11 . -4.515 -7.289 3.834 1.00 82.18 11 A 1 ATOM 85 C C . SER A 0 11 . -3.190 -7.137 3.088 1.00 82.18 11 A 1 ATOM 86 C CB . SER A 0 11 . -5.115 -8.673 3.572 1.00 82.18 11 A 1 ATOM 87 O O . SER A 0 11 . -2.127 -7.239 3.698 1.00 82.18 11 A 1 ATOM 88 O OG . SER A 0 11 . -6.319 -8.811 4.301 1.00 82.18 11 A 1 ATOM 89 N N . PHE A 0 12 . -3.244 -6.811 1.794 1.00 81.53 12 A 1 ATOM 90 C CA . PHE A 0 12 . -2.058 -6.493 1.002 1.00 81.53 12 A 1 ATOM 91 C C . PHE A 0 12 . -1.327 -5.251 1.529 1.00 81.53 12 A 1 ATOM 92 C CB . PHE A 0 12 . -2.473 -6.313 -0.460 1.00 81.53 12 A 1 ATOM 93 O O . PHE A 0 12 . -0.120 -5.291 1.745 1.00 81.53 12 A 1 ATOM 94 C CG . PHE A 0 12 . -1.318 -5.926 -1.358 1.00 81.53 12 A 1 ATOM 95 C CD1 . PHE A 0 12 . -1.225 -4.622 -1.876 1.00 81.53 12 A 1 ATOM 96 C CD2 . PHE A 0 12 . -0.326 -6.875 -1.665 1.00 81.53 12 A 1 ATOM 97 C CE1 . PHE A 0 12 . -0.157 -4.291 -2.726 1.00 81.53 12 A 1 ATOM 98 C CE2 . PHE A 0 12 . 0.761 -6.523 -2.484 1.00 81.53 12 A 1 ATOM 99 C CZ . PHE A 0 12 . 0.845 -5.227 -3.016 1.00 81.53 12 A 1 ATOM 100 N N . LEU A 0 13 . -2.051 -4.165 1.814 1.00 80.93 13 A 1 ATOM 101 C CA . LEU A 0 13 . -1.453 -2.942 2.356 1.00 80.93 13 A 1 ATOM 102 C C . LEU A 0 13 . -0.816 -3.187 3.725 1.00 80.93 13 A 1 ATOM 103 C CB . LEU A 0 13 . -2.509 -1.829 2.398 1.00 80.93 13 A 1 ATOM 104 O O . LEU A 0 13 . 0.297 -2.721 3.960 1.00 80.93 13 A 1 ATOM 105 C CG . LEU A 0 13 . -2.885 -1.346 0.987 1.00 80.93 13 A 1 ATOM 106 C CD1 . LEU A 0 13 . -4.149 -0.507 1.037 1.00 80.93 13 A 1 ATOM 107 C CD2 . LEU A 0 13 . -1.789 -0.521 0.313 1.00 80.93 13 A 1 ATOM 108 N N . LYS A 0 14 . -1.443 -4.003 4.583 1.00 82.31 14 A 1 ATOM 109 C CA . LYS A 0 14 . -0.833 -4.455 5.842 1.00 82.31 14 A 1 ATOM 110 C C . LYS A 0 14 . 0.460 -5.231 5.614 1.00 82.31 14 A 1 ATOM 111 C CB . LYS A 0 14 . -1.817 -5.313 6.642 1.00 82.31 14 A 1 ATOM 112 O O . LYS A 0 14 . 1.421 -4.993 6.339 1.00 82.31 14 A 1 ATOM 113 C CG . LYS A 0 14 . -2.852 -4.461 7.380 1.00 82.31 14 A 1 ATOM 114 C CD . LYS A 0 14 . -3.807 -5.384 8.141 1.00 82.31 14 A 1 ATOM 115 C CE . LYS A 0 14 . -4.825 -4.541 8.906 1.00 82.31 14 A 1 ATOM 116 N NZ . LYS A 0 14 . -5.723 -5.401 9.712 1.00 82.31 14 A 1 ATOM 117 N N . ALA A 0 15 . 0.510 -6.116 4.617 1.00 79.40 15 A 1 ATOM 118 C CA . ALA A 0 15 . 1.729 -6.850 4.266 1.00 79.40 15 A 1 ATOM 119 C C . ALA A 0 15 . 2.857 -5.920 3.782 1.00 79.40 15 A 1 ATOM 120 C CB . ALA A 0 15 . 1.384 -7.911 3.214 1.00 79.40 15 A 1 ATOM 121 O O . ALA A 0 15 . 4.027 -6.186 4.036 1.00 79.40 15 A 1 ATOM 122 N N . VAL A 0 16 . 2.499 -4.800 3.151 1.00 79.48 16 A 1 ATOM 123 C CA . VAL A 0 16 . 3.422 -3.734 2.728 1.00 79.48 16 A 1 ATOM 124 C C . VAL A 0 16 . 3.775 -2.773 3.890 1.00 79.48 16 A 1 ATOM 125 C CB . VAL A 0 16 . 2.819 -3.049 1.479 1.00 79.48 16 A 1 ATOM 126 O O . VAL A 0 16 . 4.587 -1.865 3.740 1.00 79.48 16 A 1 ATOM 127 C CG1 . VAL A 0 16 . 3.643 -1.883 0.952 1.00 79.48 16 A 1 ATOM 128 C CG2 . VAL A 0 16 . 2.695 -4.031 0.303 1.00 79.48 16 A 1 ATOM 129 N N . GLY A 0 17 . 3.210 -2.977 5.086 1.00 77.99 17 A 1 ATOM 130 C CA . GLY A 0 17 . 3.478 -2.164 6.280 1.00 77.99 17 A 1 ATOM 131 C C . GLY A 0 17 . 2.568 -0.942 6.441 1.00 77.99 17 A 1 ATOM 132 O O . GLY A 0 17 . 2.836 -0.077 7.275 1.00 77.99 17 A 1 ATOM 133 N N . LYS A 0 18 . 1.480 -0.851 5.670 1.00 75.73 18 A 1 ATOM 134 C CA . LYS A 0 18 . 0.500 0.242 5.726 1.00 75.73 18 A 1 ATOM 135 C C . LYS A 0 18 . -0.796 -0.228 6.386 1.00 75.73 18 A 1 ATOM 136 C CB . LYS A 0 18 . 0.248 0.791 4.313 1.00 75.73 18 A 1 ATOM 137 O O . LYS A 0 18 . -1.468 -1.138 5.907 1.00 75.73 18 A 1 ATOM 138 C CG . LYS A 0 18 . 1.495 1.332 3.594 1.00 75.73 18 A 1 ATOM 139 C CD . LYS A 0 18 . 2.059 2.606 4.237 1.00 75.73 18 A 1 ATOM 140 C CE . LYS A 0 18 . 3.266 3.076 3.419 1.00 75.73 18 A 1 ATOM 141 N NZ . LYS A 0 18 . 3.593 4.498 3.674 1.00 75.73 18 A 1 ATOM 142 N N . ASN A 0 19 . -1.173 0.411 7.490 1.00 76.70 19 A 1 ATOM 143 C CA . ASN A 0 19 . -2.406 0.101 8.207 1.00 76.70 19 A 1 ATOM 144 C C . ASN A 0 19 . -3.463 1.175 7.925 1.00 76.70 19 A 1 ATOM 145 C CB . ASN A 0 19 . -2.085 -0.047 9.704 1.00 76.70 19 A 1 ATOM 146 O O . ASN A 0 19 . -3.358 2.284 8.444 1.00 76.70 19 A 1 ATOM 147 C CG . ASN A 0 19 . -3.277 -0.562 10.492 1.00 76.70 19 A 1 ATOM 148 N ND2 . ASN A 0 19 . -3.487 -0.061 11.685 1.00 76.70 19 A 1 ATOM 149 O OD1 . ASN A 0 19 . -4.011 -1.441 10.061 1.00 76.70 19 A 1 ATOM 150 N N . TYR A 0 20 . -4.477 0.843 7.124 1.00 73.24 20 A 1 ATOM 151 C CA . TYR A 0 20 . -5.638 1.709 6.910 1.00 73.24 20 A 1 ATOM 152 C C . TYR A 0 20 . -6.851 1.198 7.690 1.00 73.24 20 A 1 ATOM 153 C CB . TYR A 0 20 . -5.971 1.867 5.425 1.00 73.24 20 A 1 ATOM 154 O O . TYR A 0 20 . -7.068 -0.009 7.837 1.00 73.24 20 A 1 ATOM 155 C CG . TYR A 0 20 . -4.856 2.445 4.580 1.00 73.24 20 A 1 ATOM 156 C CD1 . TYR A 0 20 . -4.742 3.838 4.372 1.00 73.24 20 A 1 ATOM 157 C CD2 . TYR A 0 20 . -3.930 1.567 3.996 1.00 73.24 20 A 1 ATOM 158 C CE1 . TYR A 0 20 . -3.698 4.353 3.570 1.00 73.24 20 A 1 ATOM 159 C CE2 . TYR A 0 20 . -2.904 2.078 3.194 1.00 73.24 20 A 1 ATOM 160 O OH . TYR A 0 20 . -1.787 3.826 2.139 1.00 73.24 20 A 1 ATOM 161 C CZ . TYR A 0 20 . -2.786 3.456 2.970 1.00 73.24 20 A 1 ATOM 162 N N . GLU A 0 21 . -7.667 2.131 8.170 1.00 71.21 21 A 1 ATOM 163 C CA . GLU A 0 21 . -8.908 1.837 8.880 1.00 71.21 21 A 1 ATOM 164 C C . GLU A 0 21 . -9.962 1.299 7.902 1.00 71.21 21 A 1 ATOM 165 C CB . GLU A 0 21 . -9.406 3.108 9.583 1.00 71.21 21 A 1 ATOM 166 O O . GLU A 0 21 . -10.493 2.030 7.066 1.00 71.21 21 A 1 ATOM 167 C CG . GLU A 0 21 . -8.579 3.481 10.828 1.00 71.21 21 A 1 ATOM 168 C CD . GLU A 0 21 . -9.361 3.175 12.110 1.00 71.21 21 A 1 ATOM 169 O OE1 . GLU A 0 21 . -9.098 2.110 12.714 1.00 71.21 21 A 1 ATOM 170 O OE2 . GLU A 0 21 . -10.286 3.955 12.427 1.00 71.21 21 A 1 ATOM 171 N N . SER A 0 22 . -10.318 0.014 8.035 1.00 66.71 22 A 1 ATOM 172 C CA . SER A 0 22 . -11.289 -0.663 7.156 1.00 66.71 22 A 1 ATOM 173 C C . SER A 0 22 . -12.630 0.069 7.045 1.00 66.71 22 A 1 ATOM 174 C CB . SER A 0 22 . -11.537 -2.094 7.663 1.00 66.71 22 A 1 ATOM 175 O O . SER A 0 22 . -13.312 -0.061 6.035 1.00 66.71 22 A 1 ATOM 176 O OG . SER A 0 22 . -12.407 -2.837 6.821 1.00 66.71 22 A 1 ATOM 177 N N . ARG A 0 23 . -13.036 0.845 8.059 1.00 65.40 23 A 1 ATOM 178 C CA . ARG A 0 23 . -14.348 1.511 8.072 1.00 65.40 23 A 1 ATOM 179 C C . ARG A 0 23 . -14.493 2.569 6.987 1.00 65.40 23 A 1 ATOM 180 C CB . ARG A 0 23 . -14.645 2.118 9.445 1.00 65.40 23 A 1 ATOM 181 O O . ARG A 0 23 . -15.558 2.617 6.392 1.00 65.40 23 A 1 ATOM 182 C CG . ARG A 0 23 . -14.910 1.016 10.474 1.00 65.40 23 A 1 ATOM 183 C CD . ARG A 0 23 . -15.257 1.636 11.825 1.00 65.40 23 A 1 ATOM 184 N NE . ARG A 0 23 . -15.181 0.630 12.900 1.00 65.40 23 A 1 ATOM 185 N NH1 . ARG A 0 23 . -15.256 2.109 14.651 1.00 65.40 23 A 1 ATOM 186 N NH2 . ARG A 0 23 . -14.923 -0.060 15.053 1.00 65.40 23 A 1 ATOM 187 C CZ . ARG A 0 23 . -15.122 0.897 14.191 1.00 65.40 23 A 1 ATOM 188 N N . ASN A 0 24 . -13.438 3.328 6.706 1.00 62.83 24 A 1 ATOM 189 C CA . ASN A 0 24 . -13.492 4.458 5.777 1.00 62.83 24 A 1 ATOM 190 C C . ASN A 0 24 . -12.610 4.277 4.548 1.00 62.83 24 A 1 ATOM 191 C CB . ASN A 0 24 . -13.160 5.735 6.552 1.00 62.83 24 A 1 ATOM 192 O O . ASN A 0 24 . -12.729 5.064 3.621 1.00 62.83 24 A 1 ATOM 193 C CG . ASN A 0 24 . -14.273 6.048 7.528 1.00 62.83 24 A 1 ATOM 194 N ND2 . ASN A 0 24 . -15.240 6.832 7.131 1.00 62.83 24 A 1 ATOM 195 O OD1 . ASN A 0 24 . -14.340 5.526 8.629 1.00 62.83 24 A 1 ATOM 196 N N . PHE A 0 25 . -11.796 3.219 4.521 1.00 63.24 25 A 1 ATOM 197 C CA . PHE A 0 25 . -10.874 2.913 3.440 1.00 63.24 25 A 1 ATOM 198 C C . PHE A 0 25 . -11.553 2.952 2.059 1.00 63.24 25 A 1 ATOM 199 C CB . PHE A 0 25 . -10.255 1.548 3.753 1.00 63.24 25 A 1 ATOM 200 O O . PHE A 0 25 . -12.356 2.073 1.724 1.00 63.24 25 A 1 ATOM 201 C CG . PHE A 0 25 . -9.236 1.083 2.746 1.00 63.24 25 A 1 ATOM 202 C CD1 . PHE A 0 25 . -9.538 0.011 1.903 1.00 63.24 25 A 1 ATOM 203 C CD2 . PHE A 0 25 . -7.978 1.696 2.675 1.00 63.24 25 A 1 ATOM 204 C CE1 . PHE A 0 25 . -8.601 -0.457 0.976 1.00 63.24 25 A 1 ATOM 205 C CE2 . PHE A 0 25 . -7.026 1.226 1.760 1.00 63.24 25 A 1 ATOM 206 C CZ . PHE A 0 25 . -7.350 0.172 0.891 1.00 63.24 25 A 1 ATOM 207 N N . LEU A 0 26 . -11.172 3.967 1.271 1.00 60.75 26 A 1 ATOM 208 C CA . LEU A 0 26 . -11.653 4.292 -0.081 1.00 60.75 26 A 1 ATOM 209 C C . LEU A 0 26 . -13.052 4.923 -0.165 1.00 60.75 26 A 1 ATOM 210 C CB . LEU A 0 26 . -11.493 3.099 -1.047 1.00 60.75 26 A 1 ATOM 211 O O . LEU A 0 26 . -13.605 5.028 -1.258 1.00 60.75 26 A 1 ATOM 212 C CG . LEU A 0 26 . -10.072 2.526 -1.129 1.00 60.75 26 A 1 ATOM 213 C CD1 . LEU A 0 26 . -10.080 1.301 -2.030 1.00 60.75 26 A 1 ATOM 214 C CD2 . LEU A 0 26 . -9.105 3.548 -1.721 1.00 60.75 26 A 1 ATOM 215 N N . GLU A 0 27 . -13.629 5.380 0.947 1.00 64.77 27 A 1 ATOM 216 C CA . GLU A 0 27 . -14.879 6.158 0.918 1.00 64.77 27 A 1 ATOM 217 C C . GLU A 0 27 . -14.654 7.616 0.496 1.00 64.77 27 A 1 ATOM 218 C CB . GLU A 0 27 . -15.577 6.131 2.283 1.00 64.77 27 A 1 ATOM 219 O O . GLU A 0 27 . -15.587 8.283 0.049 1.00 64.77 27 A 1 ATOM 220 C CG . GLU A 0 27 . -16.101 4.741 2.665 1.00 64.77 27 A 1 ATOM 221 C CD . GLU A 0 27 . -16.997 4.803 3.911 1.00 64.77 27 A 1 ATOM 222 O OE1 . GLU A 0 27 . -17.963 4.004 3.954 1.00 64.77 27 A 1 ATOM 223 O OE2 . GLU A 0 27 . -16.712 5.644 4.804 1.00 64.77 27 A 1 ATOM 224 N N . LYS A 0 28 . -13.423 8.126 0.623 1.00 57.79 28 A 1 ATOM 225 C CA . LYS A 0 28 . -13.046 9.472 0.178 1.00 57.79 28 A 1 ATOM 226 C C . LYS A 0 28 . -12.053 9.370 -0.977 1.00 57.79 28 A 1 ATOM 227 C CB . LYS A 0 28 . -12.492 10.279 1.366 1.00 57.79 28 A 1 ATOM 228 O O . LYS A 0 28 . -11.019 8.728 -0.830 1.00 57.79 28 A 1 ATOM 229 C CG . LYS A 0 28 . -13.564 10.537 2.440 1.00 57.79 28 A 1 ATOM 230 C CD . LYS A 0 28 . -13.011 11.388 3.588 1.00 57.79 28 A 1 ATOM 231 C CE . LYS A 0 28 . -14.115 11.622 4.626 1.00 57.79 28 A 1 ATOM 232 N NZ . LYS A 0 28 . -13.590 12.307 5.833 1.00 57.79 28 A 1 ATOM 233 N N . ASP A 0 29 . -12.308 10.073 -2.082 1.00 59.32 29 A 1 ATOM 234 C CA . ASP A 0 29 . -11.411 10.121 -3.255 1.00 59.32 29 A 1 ATOM 235 C C . ASP A 0 29 . -9.957 10.483 -2.891 1.00 59.32 29 A 1 ATOM 236 C CB . ASP A 0 29 . -11.941 11.157 -4.264 1.00 59.32 29 A 1 ATOM 237 O O . ASP A 0 29 . -9.004 9.991 -3.499 1.00 59.32 29 A 1 ATOM 238 C CG . ASP A 0 29 . -13.157 10.678 -5.061 1.00 59.32 29 A 1 ATOM 239 O OD1 . ASP A 0 29 . -13.192 9.475 -5.398 1.00 59.32 29 A 1 ATOM 240 O OD2 . ASP A 0 29 . -14.025 11.533 -5.337 1.00 59.32 29 A 1 ATOM 241 N N . ASN A 0 30 . -9.769 11.293 -1.842 1.00 61.87 30 A 1 ATOM 242 C CA . ASN A 0 30 . -8.444 11.652 -1.332 1.00 61.87 30 A 1 ATOM 243 C C . ASN A 0 30 . -7.659 10.448 -0.780 1.00 61.87 30 A 1 ATOM 244 C CB . ASN A 0 30 . -8.596 12.747 -0.260 1.00 61.87 30 A 1 ATOM 245 O O . ASN A 0 30 . -6.431 10.434 -0.873 1.00 61.87 30 A 1 ATOM 246 C CG . ASN A 0 30 . -8.937 14.111 -0.834 1.00 61.87 30 A 1 ATOM 247 N ND2 . ASN A 0 30 . -9.321 15.047 0.000 1.00 61.87 30 A 1 ATOM 248 O OD1 . ASN A 0 30 . -8.847 14.375 -2.018 1.00 61.87 30 A 1 ATOM 249 N N . GLU A 0 31 . -8.334 9.430 -0.238 1.00 65.95 31 A 1 ATOM 250 C CA . GLU A 0 31 . -7.666 8.235 0.286 1.00 65.95 31 A 1 ATOM 251 C C . GLU A 0 31 . -7.133 7.346 -0.831 1.00 65.95 31 A 1 ATOM 252 C CB . GLU A 0 31 . -8.604 7.409 1.165 1.00 65.95 31 A 1 ATOM 253 O O . GLU A 0 31 . -6.042 6.800 -0.690 1.00 65.95 31 A 1 ATOM 254 C CG . GLU A 0 31 . -8.962 8.118 2.477 1.00 65.95 31 A 1 ATOM 255 C CD . GLU A 0 31 . -9.736 7.184 3.412 1.00 65.95 31 A 1 ATOM 256 O OE1 . GLU A 0 31 . -9.728 7.452 4.633 1.00 65.95 31 A 1 ATOM 257 O OE2 . GLU A 0 31 . -10.322 6.209 2.891 1.00 65.95 31 A 1 ATOM 258 N N . PHE A 0 32 . -7.834 7.249 -1.968 1.00 69.76 32 A 1 ATOM 259 C CA . PHE A 0 32 . -7.343 6.467 -3.105 1.00 69.76 32 A 1 ATOM 260 C C . PHE A 0 32 . -5.993 6.997 -3.599 1.00 69.76 32 A 1 ATOM 261 C CB . PHE A 0 32 . -8.378 6.458 -4.237 1.00 69.76 32 A 1 ATOM 262 O O . PHE A 0 32 . -5.068 6.217 -3.813 1.00 69.76 32 A 1 ATOM 263 C CG . PHE A 0 32 . -7.948 5.604 -5.418 1.00 69.76 32 A 1 ATOM 264 C CD1 . PHE A 0 32 . -7.415 6.204 -6.574 1.00 69.76 32 A 1 ATOM 265 C CD2 . PHE A 0 32 . -8.041 4.201 -5.347 1.00 69.76 32 A 1 ATOM 266 C CE1 . PHE A 0 32 . -6.990 5.406 -7.653 1.00 69.76 32 A 1 ATOM 267 C CE2 . PHE A 0 32 . -7.614 3.403 -6.421 1.00 69.76 32 A 1 ATOM 268 C CZ . PHE A 0 32 . -7.089 4.006 -7.576 1.00 69.76 32 A 1 ATOM 269 N N . SER A 0 33 . -5.846 8.324 -3.704 1.00 69.93 33 A 1 ATOM 270 C CA . SER A 0 33 . -4.566 8.942 -4.076 1.00 69.93 33 A 1 ATOM 271 C C . SER A 0 33 . -3.457 8.613 -3.074 1.00 69.93 33 A 1 ATOM 272 C CB . SER A 0 33 . -4.720 10.459 -4.206 1.00 69.93 33 A 1 ATOM 273 O O . SER A 0 33 . -2.348 8.274 -3.481 1.00 69.93 33 A 1 ATOM 274 O OG . SER A 0 33 . -3.555 11.005 -4.797 1.00 69.93 33 A 1 ATOM 275 N N . SER A 0 34 . -3.762 8.633 -1.770 1.00 73.77 34 A 1 ATOM 276 C CA . SER A 0 34 . -2.797 8.257 -0.730 1.00 73.77 34 A 1 ATOM 277 C C . SER A 0 34 . -2.367 6.796 -0.858 1.00 73.77 34 A 1 ATOM 278 C CB . SER A 0 34 . -3.378 8.499 0.663 1.00 73.77 34 A 1 ATOM 279 O O . SER A 0 34 . -1.172 6.520 -0.876 1.00 73.77 34 A 1 ATOM 280 O OG . SER A 0 34 . -2.342 8.495 1.628 1.00 73.77 34 A 1 ATOM 281 N N . VAL A 0 35 . -3.321 5.872 -1.020 1.00 74.80 35 A 1 ATOM 282 C CA . VAL A 0 35 . -3.038 4.437 -1.183 1.00 74.80 35 A 1 ATOM 283 C C . VAL A 0 35 . -2.174 4.190 -2.415 1.00 74.80 35 A 1 ATOM 284 C CB . VAL A 0 35 . -4.347 3.628 -1.270 1.00 74.80 35 A 1 ATOM 285 O O . VAL A 0 35 . -1.195 3.454 -2.343 1.00 74.80 35 A 1 ATOM 286 C CG1 . VAL A 0 35 . -4.097 2.143 -1.571 1.00 74.80 35 A 1 ATOM 287 C CG2 . VAL A 0 35 . -5.118 3.687 0.052 1.00 74.80 35 A 1 ATOM 288 N N . VAL A 0 36 . -2.489 4.825 -3.545 1.00 75.49 36 A 1 ATOM 289 C CA . VAL A 0 36 . -1.688 4.671 -4.766 1.00 75.49 36 A 1 ATOM 290 C C . VAL A 0 36 . -0.295 5.276 -4.599 1.00 75.49 36 A 1 ATOM 291 C CB . VAL A 0 36 . -2.409 5.261 -5.985 1.00 75.49 36 A 1 ATOM 292 O O . VAL A 0 36 . 0.683 4.663 -5.019 1.00 75.49 36 A 1 ATOM 293 C CG1 . VAL A 0 36 . -1.529 5.138 -7.231 1.00 75.49 36 A 1 ATOM 294 C CG2 . VAL A 0 36 . -3.705 4.496 -6.286 1.00 75.49 36 A 1 ATOM 295 N N . SER A 0 37 . -0.181 6.438 -3.954 1.00 73.43 37 A 1 ATOM 296 C CA . SER A 0 37 . 1.111 7.052 -3.635 1.00 73.43 37 A 1 ATOM 297 C C . SER A 0 37 . 1.977 6.123 -2.782 1.00 73.43 37 A 1 ATOM 298 C CB . SER A 0 37 . 0.874 8.363 -2.886 1.00 73.43 37 A 1 ATOM 299 O O . SER A 0 37 . 3.158 5.948 -3.074 1.00 73.43 37 A 1 ATOM 300 O OG . SER A 0 37 . 2.041 9.148 -2.858 1.00 73.43 37 A 1 ATOM 301 N N . ASP A 0 38 . 1.381 5.493 -1.768 1.00 76.99 38 A 1 ATOM 302 C CA . ASP A 0 38 . 2.054 4.544 -0.883 1.00 76.99 38 A 1 ATOM 303 C C . ASP A 0 38 . 2.493 3.274 -1.630 1.00 76.99 38 A 1 ATOM 304 C CB . ASP A 0 38 . 1.120 4.217 0.297 1.00 76.99 38 A 1 ATOM 305 O O . ASP A 0 38 . 3.614 2.799 -1.440 1.00 76.99 38 A 1 ATOM 306 C CG . ASP A 0 38 . 1.073 5.333 1.351 1.00 76.99 38 A 1 ATOM 307 O OD1 . ASP A 0 38 . 2.170 5.772 1.766 1.00 76.99 38 A 1 ATOM 308 O OD2 . ASP A 0 38 . -0.016 5.661 1.874 1.00 76.99 38 A 1 ATOM 309 N N . LEU A 0 39 . 1.655 2.757 -2.533 1.00 77.01 39 A 1 ATOM 310 C CA . LEU A 0 39 . 2.001 1.604 -3.368 1.00 77.01 39 A 1 ATOM 311 C C . LEU A 0 39 . 3.150 1.903 -4.328 1.00 77.01 39 A 1 ATOM 312 C CB . LEU A 0 39 . 0.766 1.141 -4.157 1.00 77.01 39 A 1 ATOM 313 O O . LEU A 0 39 . 4.062 1.088 -4.458 1.00 77.01 39 A 1 ATOM 314 C CG . LEU A 0 39 . -0.292 0.426 -3.305 1.00 77.01 39 A 1 ATOM 315 C CD1 . LEU A 0 39 . -1.482 0.045 -4.189 1.00 77.01 39 A 1 ATOM 316 C CD2 . LEU A 0 39 . 0.277 -0.833 -2.661 1.00 77.01 39 A 1 ATOM 317 N N . VAL A 0 40 . 3.134 3.060 -4.995 1.00 73.50 40 A 1 ATOM 318 C CA . VAL A 0 40 . 4.225 3.417 -5.910 1.00 73.50 40 A 1 ATOM 319 C C . VAL A 0 40 . 5.514 3.703 -5.144 1.00 73.50 40 A 1 ATOM 320 C CB . VAL A 0 40 . 3.871 4.585 -6.841 1.00 73.50 40 A 1 ATOM 321 O O . VAL A 0 40 . 6.584 3.363 -5.636 1.00 73.50 40 A 1 ATOM 322 C CG1 . VAL A 0 40 . 5.043 4.811 -7.810 1.00 73.50 40 A 1 ATOM 323 C CG2 . VAL A 0 40 . 2.642 4.287 -7.713 1.00 73.50 40 A 1 ATOM 324 N N . PHE A 0 41 . 5.436 4.265 -3.936 1.00 74.13 41 A 1 ATOM 325 C CA . PHE A 0 41 . 6.612 4.448 -3.087 1.00 74.13 41 A 1 ATOM 326 C C . PHE A 0 41 . 7.279 3.110 -2.733 1.00 74.13 41 A 1 ATOM 327 C CB . PHE A 0 41 . 6.199 5.221 -1.831 1.00 74.13 41 A 1 ATOM 328 O O . PHE A 0 41 . 8.495 2.971 -2.869 1.00 74.13 41 A 1 ATOM 329 C CG . PHE A 0 41 . 7.351 5.493 -0.890 1.00 74.13 41 A 1 ATOM 330 C CD1 . PHE A 0 41 . 7.529 4.704 0.263 1.00 74.13 41 A 1 ATOM 331 C CD2 . PHE A 0 41 . 8.259 6.528 -1.178 1.00 74.13 41 A 1 ATOM 332 C CE1 . PHE A 0 41 . 8.592 4.976 1.141 1.00 74.13 41 A 1 ATOM 333 C CE2 . PHE A 0 41 . 9.335 6.784 -0.311 1.00 74.13 41 A 1 ATOM 334 C CZ . PHE A 0 41 . 9.498 6.013 0.853 1.00 74.13 41 A 1 ATOM 335 N N . GLU A 0 42 . 6.500 2.099 -2.341 1.00 74.55 42 A 1 ATOM 336 C CA . GLU A 0 42 . 7.050 0.776 -2.014 1.00 74.55 42 A 1 ATOM 337 C C . GLU A 0 42 . 7.518 0.006 -3.261 1.00 74.55 42 A 1 ATOM 338 C CB . GLU A 0 42 . 6.041 -0.008 -1.160 1.00 74.55 42 A 1 ATOM 339 O O . GLU A 0 42 . 8.567 -0.639 -3.227 1.00 74.55 42 A 1 ATOM 340 C CG . GLU A 0 42 . 5.910 0.628 0.240 1.00 74.55 42 A 1 ATOM 341 C CD . GLU A 0 42 . 7.174 0.535 1.120 1.00 74.55 42 A 1 ATOM 342 O OE1 . GLU A 0 42 . 7.342 1.387 2.025 1.00 74.55 42 A 1 ATOM 343 O OE2 . GLU A 0 42 . 8.089 -0.281 0.873 1.00 74.55 42 A 1 ATOM 344 N N . LEU A 0 43 . 6.833 0.152 -4.402 1.00 72.97 43 A 1 ATOM 345 C CA . LEU A 0 43 . 7.331 -0.360 -5.686 1.00 72.97 43 A 1 ATOM 346 C C . LEU A 0 43 . 8.642 0.317 -6.110 1.00 72.97 43 A 1 ATOM 347 C CB . LEU A 0 43 . 6.270 -0.163 -6.781 1.00 72.97 43 A 1 ATOM 348 O O . LEU A 0 43 . 9.569 -0.366 -6.541 1.00 72.97 43 A 1 ATOM 349 C CG . LEU A 0 43 . 5.089 -1.145 -6.739 1.00 72.97 43 A 1 ATOM 350 C CD1 . LEU A 0 43 . 4.033 -0.701 -7.754 1.00 72.97 43 A 1 ATOM 351 C CD2 . LEU A 0 43 . 5.523 -2.569 -7.097 1.00 72.97 43 A 1 ATOM 352 N N . GLY A 0 44 . 8.740 1.639 -5.957 1.00 67.92 44 A 1 ATOM 353 C CA . GLY A 0 44 . 9.942 2.418 -6.255 1.00 67.92 44 A 1 ATOM 354 C C . GLY A 0 44 . 11.129 1.988 -5.398 1.00 67.92 44 A 1 ATOM 355 O O . GLY A 0 44 . 12.218 1.779 -5.929 1.00 67.92 44 A 1 ATOM 356 N N . LYS A 0 45 . 10.901 1.736 -4.100 1.00 67.59 45 A 1 ATOM 357 C CA . LYS A 0 45 . 11.910 1.145 -3.203 1.00 67.59 45 A 1 ATOM 358 C C . LYS A 0 45 . 12.351 -0.248 -3.645 1.00 67.59 45 A 1 ATOM 359 C CB . LYS A 0 45 . 11.372 1.085 -1.766 1.00 67.59 45 A 1 ATOM 360 O O . LYS A 0 45 . 13.534 -0.552 -3.564 1.00 67.59 45 A 1 ATOM 361 C CG . LYS A 0 45 . 11.441 2.458 -1.085 1.00 67.59 45 A 1 ATOM 362 C CD . LYS A 0 45 . 10.701 2.477 0.253 1.00 67.59 45 A 1 ATOM 363 C CE . LYS A 0 45 . 11.291 1.544 1.311 1.00 67.59 45 A 1 ATOM 364 N NZ . LYS A 0 45 . 10.235 1.188 2.291 1.00 67.59 45 A 1 ATOM 365 N N . SER A 0 46 . 11.428 -1.096 -4.102 1.00 68.02 46 A 1 ATOM 366 C CA . SER A 0 46 . 11.761 -2.461 -4.531 1.00 68.02 46 A 1 ATOM 367 C C . SER A 0 46 . 12.460 -2.531 -5.892 1.00 68.02 46 A 1 ATOM 368 C CB . SER A 0 46 . 10.497 -3.322 -4.562 1.00 68.02 46 A 1 ATOM 369 O O . SER A 0 46 . 13.164 -3.507 -6.133 1.00 68.02 46 A 1 ATOM 370 O OG . SER A 0 46 . 10.796 -4.628 -5.025 1.00 68.02 46 A 1 ATOM 371 N N . HIS A 0 47 . 12.218 -1.581 -6.799 1.00 64.29 47 A 1 ATOM 372 C CA . HIS A 0 47 . 12.752 -1.610 -8.169 1.00 64.29 47 A 1 ATOM 373 C C . HIS A 0 47 . 13.883 -0.594 -8.416 1.00 64.29 47 A 1 ATOM 374 C CB . HIS A 0 47 . 11.601 -1.462 -9.185 1.00 64.29 47 A 1 ATOM 375 O O . HIS A 0 47 . 14.322 -0.463 -9.555 1.00 64.29 47 A 1 ATOM 376 C CG . HIS A 0 47 . 10.766 -2.701 -9.382 1.00 64.29 47 A 1 ATOM 377 C CD2 . HIS A 0 47 . 10.359 -3.212 -10.586 1.00 64.29 47 A 1 ATOM 378 N ND1 . HIS A 0 47 . 10.319 -3.564 -8.408 1.00 64.29 47 A 1 ATOM 379 C CE1 . HIS A 0 47 . 9.667 -4.570 -9.010 1.00 64.29 47 A 1 ATOM 380 N NE2 . HIS A 0 47 . 9.652 -4.394 -10.340 1.00 64.29 47 A 1 ATOM 381 N N . ASP A 0 48 . 14.336 0.142 -7.393 1.00 58.75 48 A 1 ATOM 382 C CA . ASP A 0 48 . 15.271 1.277 -7.544 1.00 58.75 48 A 1 ATOM 383 C C . ASP A 0 48 . 14.755 2.334 -8.551 1.00 58.75 48 A 1 ATOM 384 C CB . ASP A 0 48 . 16.697 0.767 -7.833 1.00 58.75 48 A 1 ATOM 385 O O . ASP A 0 48 . 15.491 3.098 -9.177 1.00 58.75 48 A 1 ATOM 386 C CG . ASP A 0 48 . 17.766 1.540 -7.052 1.00 58.75 48 A 1 ATOM 387 O OD1 . ASP A 0 48 . 17.896 2.767 -7.258 1.00 58.75 48 A 1 ATOM 388 O OD2 . ASP A 0 48 . 18.442 0.892 -6.222 1.00 58.75 48 A 1 ATOM 389 N N . VAL A 0 49 . 13.433 2.380 -8.748 1.00 55.35 49 A 1 ATOM 390 C CA . VAL A 0 49 . 12.800 3.360 -9.626 1.00 55.35 49 A 1 ATOM 391 C C . VAL A 0 49 . 12.502 4.572 -8.762 1.00 55.35 49 A 1 ATOM 392 C CB . VAL A 0 49 . 11.566 2.805 -10.364 1.00 55.35 49 A 1 ATOM 393 O O . VAL A 0 49 . 11.557 4.575 -7.975 1.00 55.35 49 A 1 ATOM 394 C CG1 . VAL A 0 49 . 10.981 3.848 -11.327 1.00 55.35 49 A 1 ATOM 395 C CG2 . VAL A 0 49 . 11.927 1.594 -11.229 1.00 55.35 49 A 1 ATOM 396 N N . SER A 0 50 . 13.303 5.625 -8.934 1.00 53.20 50 A 1 ATOM 397 C CA . SER A 0 50 . 13.098 6.970 -8.373 1.00 53.20 50 A 1 ATOM 398 C C . SER A 0 50 . 11.850 7.662 -8.960 1.00 53.20 50 A 1 ATOM 399 C CB . SER A 0 50 . 14.379 7.791 -8.569 1.00 53.20 50 A 1 ATOM 400 O O . SER A 0 50 . 11.871 8.801 -9.424 1.00 53.20 50 A 1 ATOM 401 O OG . SER A 0 50 . 14.296 9.062 -7.953 1.00 53.20 50 A 1 ATOM 402 N N . SER A 0 51 . 10.713 6.970 -8.997 1.00 53.12 51 A 1 ATOM 403 C CA . SER A 0 51 . 9.408 7.579 -9.214 1.00 53.12 51 A 1 ATOM 404 C C . SER A 0 51 . 8.818 7.904 -7.848 1.00 53.12 51 A 1 ATOM 405 C CB . SER A 0 51 . 8.505 6.702 -10.089 1.00 53.12 51 A 1 ATOM 406 O O . SER A 0 51 . 7.914 7.223 -7.370 1.00 53.12 51 A 1 ATOM 407 O OG . SER A 0 51 . 8.294 5.428 -9.524 1.00 53.12 51 A 1 ATOM 408 N N . ASN A 0 52 . 9.354 8.937 -7.194 1.00 47.11 52 A 1 ATOM 409 C CA . ASN A 0 52 . 8.716 9.517 -6.016 1.00 47.11 52 A 1 ATOM 410 C C . ASN A 0 52 . 7.341 10.051 -6.427 1.00 47.11 52 A 1 ATOM 411 C CB . ASN A 0 52 . 9.597 10.629 -5.411 1.00 47.11 52 A 1 ATOM 412 O O . ASN A 0 52 . 7.224 11.094 -7.075 1.00 47.11 52 A 1 ATOM 413 C CG . ASN A 0 52 . 10.680 10.111 -4.483 1.00 47.11 52 A 1 ATOM 414 N ND2 . ASN A 0 52 . 11.596 10.958 -4.082 1.00 47.11 52 A 1 ATOM 415 O OD1 . ASN A 0 52 . 10.704 8.967 -4.073 1.00 47.11 52 A 1 ATOM 416 N N . VAL A 0 53 . 6.289 9.325 -6.062 1.00 51.77 53 A 1 ATOM 417 C CA . VAL A 0 53 . 4.926 9.847 -6.108 1.00 51.77 53 A 1 ATOM 418 C C . VAL A 0 53 . 4.717 10.540 -4.789 1.00 51.77 53 A 1 ATOM 419 C CB . VAL A 0 53 . 3.866 8.767 -6.337 1.00 51.77 53 A 1 ATOM 420 O O . VAL A 0 53 . 4.603 9.900 -3.750 1.00 51.77 53 A 1 ATOM 421 C CG1 . VAL A 0 53 . 2.491 9.371 -6.658 1.00 51.77 53 A 1 ATOM 422 C CG2 . VAL A 0 53 . 4.297 7.948 -7.529 1.00 51.77 53 A 1 ATOM 423 N N . TYR A 0 54 . 4.736 11.864 -4.824 1.00 52.15 54 A 1 ATOM 424 C CA . TYR A 0 54 . 4.189 12.630 -3.723 1.00 52.15 54 A 1 ATOM 425 C C . TYR A 0 54 . 2.664 12.493 -3.784 1.00 52.15 54 A 1 ATOM 426 C CB . TYR A 0 54 . 4.658 14.085 -3.810 1.00 52.15 54 A 1 ATOM 427 O O . TYR A 0 54 . 2.111 12.576 -4.890 1.00 52.15 54 A 1 ATOM 428 C CG . TYR A 0 54 . 6.158 14.215 -3.625 1.00 52.15 54 A 1 ATOM 429 C CD1 . TYR A 0 54 . 6.696 14.291 -2.325 1.00 52.15 54 A 1 ATOM 430 C CD2 . TYR A 0 54 . 7.018 14.197 -4.741 1.00 52.15 54 A 1 ATOM 431 C CE1 . TYR A 0 54 . 8.090 14.350 -2.138 1.00 52.15 54 A 1 ATOM 432 C CE2 . TYR A 0 54 . 8.412 14.256 -4.558 1.00 52.15 54 A 1 ATOM 433 O OH . TYR A 0 54 . 10.298 14.367 -3.089 1.00 52.15 54 A 1 ATOM 434 C CZ . TYR A 0 54 . 8.951 14.331 -3.257 1.00 52.15 54 A 1 ATOM 435 N N . PRO A 0 55 . 1.974 12.323 -2.643 1.00 44.34 55 A 1 ATOM 436 C CA . PRO A 0 55 . 0.523 12.388 -2.583 1.00 44.34 55 A 1 ATOM 437 C C . PRO A 0 55 . 0.103 13.836 -2.862 1.00 44.34 55 A 1 ATOM 438 C CB . PRO A 0 55 . 0.144 11.872 -1.189 1.00 44.34 55 A 1 ATOM 439 O O . PRO A 0 55 . -0.134 14.632 -1.961 1.00 44.34 55 A 1 ATOM 440 C CG . PRO A 0 55 . 1.369 12.198 -0.337 1.00 44.34 55 A 1 ATOM 441 C CD . PRO A 0 55 . 2.533 12.088 -1.319 1.00 44.34 55 A 1 ATOM 442 N N . LEU A 0 56 . 0.078 14.216 -4.136 1.00 48.98 56 A 1 ATOM 443 C CA . LEU A 0 56 . -0.502 15.467 -4.589 1.00 48.98 56 A 1 ATOM 444 C C . LEU A 0 56 . -1.942 15.178 -4.992 1.00 48.98 56 A 1 ATOM 445 C CB . LEU A 0 56 . 0.365 16.108 -5.687 1.00 48.98 56 A 1 ATOM 446 O O . LEU A 0 56 . -2.240 14.204 -5.682 1.00 48.98 56 A 1 ATOM 447 C CG . LEU A 0 56 . 1.589 16.845 -5.102 1.00 48.98 56 A 1 ATOM 448 C CD1 . LEU A 0 56 . 2.621 17.105 -6.199 1.00 48.98 56 A 1 ATOM 449 C CD2 . LEU A 0 56 . 1.202 18.198 -4.493 1.00 48.98 56 A 1 ATOM 450 N N . THR A 0 57 . -2.830 16.045 -4.523 1.00 52.44 57 A 1 ATOM 451 C CA . THR A 0 57 . -4.298 16.042 -4.609 1.00 52.44 57 A 1 ATOM 452 C C . THR A 0 57 . -4.852 16.162 -6.039 1.00 52.44 57 A 1 ATOM 453 C CB . THR A 0 57 . -4.825 17.174 -3.699 1.00 52.44 57 A 1 ATOM 454 O O . THR A 0 57 . -5.864 16.813 -6.279 1.00 52.44 57 A 1 ATOM 455 C CG2 . THR A 0 57 . -4.832 16.757 -2.229 1.00 52.44 57 A 1 ATOM 456 O OG1 . THR A 0 57 . -3.975 18.304 -3.782 1.00 52.44 57 A 1 ATOM 457 N N . GLY A 0 58 . -4.207 15.536 -7.026 1.00 50.17 58 A 1 ATOM 458 C CA . GLY A 0 58 . -4.597 15.585 -8.427 1.00 50.17 58 A 1 ATOM 459 C C . GLY A 0 58 . -4.404 14.246 -9.128 1.00 50.17 58 A 1 ATOM 460 O O . GLY A 0 58 . -3.281 13.786 -9.328 1.00 50.17 58 A 1 ATOM 461 N N . TYR A 0 59 . -5.516 13.688 -9.610 1.00 53.40 59 A 1 ATOM 462 C CA . TYR A 0 59 . -5.629 12.484 -10.450 1.00 53.40 59 A 1 ATOM 463 C C . TYR A 0 59 . -4.548 12.362 -11.547 1.00 53.40 59 A 1 ATOM 464 C CB . TYR A 0 59 . -7.028 12.572 -11.085 1.00 53.40 59 A 1 ATOM 465 O O . TYR A 0 59 . -4.122 11.266 -11.902 1.00 53.40 59 A 1 ATOM 466 C CG . TYR A 0 59 . -7.498 11.363 -11.864 1.00 53.40 59 A 1 ATOM 467 C CD1 . TYR A 0 59 . -7.444 11.356 -13.272 1.00 53.40 59 A 1 ATOM 468 C CD2 . TYR A 0 59 . -8.072 10.276 -11.176 1.00 53.40 59 A 1 ATOM 469 C CE1 . TYR A 0 59 . -7.982 10.270 -13.990 1.00 53.40 59 A 1 ATOM 470 C CE2 . TYR A 0 59 . -8.598 9.183 -11.889 1.00 53.40 59 A 1 ATOM 471 O OH . TYR A 0 59 . -9.026 8.113 -13.994 1.00 53.40 59 A 1 ATOM 472 C CZ . TYR A 0 59 . -8.563 9.184 -13.300 1.00 53.40 59 A 1 ATOM 473 N N . ARG A 0 60 . -4.054 13.494 -12.074 1.00 55.16 60 A 1 ATOM 474 C CA . ARG A 0 60 . -3.101 13.543 -13.196 1.00 55.16 60 A 1 ATOM 475 C C . ARG A 0 60 . -1.707 12.987 -12.873 1.00 55.16 60 A 1 ATOM 476 C CB . ARG A 0 60 . -2.994 14.977 -13.749 1.00 55.16 60 A 1 ATOM 477 O O . ARG A 0 60 . -1.054 12.489 -13.788 1.00 55.16 60 A 1 ATOM 478 C CG . ARG A 0 60 . -4.351 15.555 -14.191 1.00 55.16 60 A 1 ATOM 479 C CD . ARG A 0 60 . -4.201 16.883 -14.949 1.00 55.16 60 A 1 ATOM 480 N NE . ARG A 0 60 . -3.910 16.681 -16.385 1.00 55.16 60 A 1 ATOM 481 N NH1 . ARG A 0 60 . -3.452 18.871 -16.920 1.00 55.16 60 A 1 ATOM 482 N NH2 . ARG A 0 60 . -3.502 17.332 -18.531 1.00 55.16 60 A 1 ATOM 483 C CZ . ARG A 0 60 . -3.622 17.625 -17.267 1.00 55.16 60 A 1 ATOM 484 N N . PHE A 0 61 . -1.238 13.051 -11.623 1.00 54.89 61 A 1 ATOM 485 C CA . PHE A 0 61 . 0.109 12.559 -11.285 1.00 54.89 61 A 1 ATOM 486 C C . PHE A 0 61 . 0.167 11.041 -11.109 1.00 54.89 61 A 1 ATOM 487 C CB . PHE A 0 61 . 0.669 13.297 -10.065 1.00 54.89 61 A 1 ATOM 488 O O . PHE A 0 61 . 1.165 10.432 -11.491 1.00 54.89 61 A 1 ATOM 489 C CG . PHE A 0 61 . 1.307 14.620 -10.437 1.00 54.89 61 A 1 ATOM 490 C CD1 . PHE A 0 61 . 2.639 14.652 -10.894 1.00 54.89 61 A 1 ATOM 491 C CD2 . PHE A 0 61 . 0.572 15.815 -10.342 1.00 54.89 61 A 1 ATOM 492 C CE1 . PHE A 0 61 . 3.236 15.875 -11.248 1.00 54.89 61 A 1 ATOM 493 C CE2 . PHE A 0 61 . 1.168 17.038 -10.699 1.00 54.89 61 A 1 ATOM 494 C CZ . PHE A 0 61 . 2.499 17.069 -11.151 1.00 54.89 61 A 1 ATOM 495 N N . ILE A 0 62 . -0.920 10.424 -10.635 1.00 57.57 62 A 1 ATOM 496 C CA . ILE A 0 62 . -1.025 8.968 -10.471 1.00 57.57 62 A 1 ATOM 497 C C . ILE A 0 62 . -0.743 8.246 -11.799 1.00 57.57 62 A 1 ATOM 498 C CB . ILE A 0 62 . -2.418 8.607 -9.907 1.00 57.57 62 A 1 ATOM 499 O O . ILE A 0 62 . 0.058 7.318 -11.849 1.00 57.57 62 A 1 ATOM 500 C CG1 . ILE A 0 62 . -2.581 9.141 -8.465 1.00 57.57 62 A 1 ATOM 501 C CG2 . ILE A 0 62 . -2.617 7.087 -9.978 1.00 57.57 62 A 1 ATOM 502 C CD1 . ILE A 0 62 . -4.013 9.016 -7.930 1.00 57.57 62 A 1 ATOM 503 N N . PHE A 0 63 . -1.323 8.715 -12.907 1.00 61.20 63 A 1 ATOM 504 C CA . PHE A 0 63 . -1.074 8.114 -14.224 1.00 61.20 63 A 1 ATOM 505 C C . PHE A 0 63 . 0.389 8.203 -14.647 1.00 61.20 63 A 1 ATOM 506 C CB . PHE A 0 63 . -1.952 8.782 -15.284 1.00 61.20 63 A 1 ATOM 507 O O . PHE A 0 63 . 0.945 7.231 -15.159 1.00 61.20 63 A 1 ATOM 508 C CG . PHE A 0 63 . -3.347 8.220 -15.276 1.00 61.20 63 A 1 ATOM 509 C CD1 . PHE A 0 63 . -3.660 7.101 -16.071 1.00 61.20 63 A 1 ATOM 510 C CD2 . PHE A 0 63 . -4.300 8.746 -14.395 1.00 61.20 63 A 1 ATOM 511 C CE1 . PHE A 0 63 . -4.941 6.525 -16.003 1.00 61.20 63 A 1 ATOM 512 C CE2 . PHE A 0 63 . -5.552 8.134 -14.292 1.00 61.20 63 A 1 ATOM 513 C CZ . PHE A 0 63 . -5.892 7.045 -15.111 1.00 61.20 63 A 1 ATOM 514 N N . LYS A 0 64 . 1.032 9.353 -14.414 1.00 60.69 64 A 1 ATOM 515 C CA . LYS A 0 64 . 2.440 9.548 -14.773 1.00 60.69 64 A 1 ATOM 516 C C . LYS A 0 64 . 3.357 8.629 -13.966 1.00 60.69 64 A 1 ATOM 517 C CB . LYS A 0 64 . 2.810 11.028 -14.607 1.00 60.69 64 A 1 ATOM 518 O O . LYS A 0 64 . 4.359 8.168 -14.498 1.00 60.69 64 A 1 ATOM 519 C CG . LYS A 0 64 . 4.158 11.331 -15.277 1.00 60.69 64 A 1 ATOM 520 C CD . LYS A 0 64 . 4.487 12.826 -15.221 1.00 60.69 64 A 1 ATOM 521 C CE . LYS A 0 64 . 5.820 13.071 -15.937 1.00 60.69 64 A 1 ATOM 522 N NZ . LYS A 0 64 . 6.232 14.497 -15.869 1.00 60.69 64 A 1 ATOM 523 N N . ALA A 0 65 . 2.992 8.345 -12.720 1.00 61.31 65 A 1 ATOM 524 C CA . ALA A 0 65 . 3.731 7.460 -11.838 1.00 61.31 65 A 1 ATOM 525 C C . ALA A 0 65 . 3.624 5.975 -12.191 1.00 61.31 65 A 1 ATOM 526 C CB . ALA A 0 65 . 3.171 7.669 -10.451 1.00 61.31 65 A 1 ATOM 527 O O . ALA A 0 65 . 4.595 5.244 -12.035 1.00 61.31 65 A 1 ATOM 528 N N . ILE A 0 66 . 2.458 5.526 -12.665 1.00 62.37 66 A 1 ATOM 529 C CA . ILE A 0 66 . 2.244 4.120 -13.041 1.00 62.37 66 A 1 ATOM 530 C C . ILE A 0 66 . 2.700 3.870 -14.493 1.00 62.37 66 A 1 ATOM 531 C CB . ILE A 0 66 . 0.786 3.683 -12.769 1.00 62.37 66 A 1 ATOM 532 O O . ILE A 0 66 . 3.038 2.749 -14.862 1.00 62.37 66 A 1 ATOM 533 C CG1 . ILE A 0 66 . 0.325 4.018 -11.327 1.00 62.37 66 A 1 ATOM 534 C CG2 . ILE A 0 66 . 0.645 2.157 -12.947 1.00 62.37 66 A 1 ATOM 535 C CD1 . ILE A 0 66 . -1.196 3.940 -11.150 1.00 62.37 66 A 1 ATOM 536 N N . SER A 0 67 . 2.782 4.914 -15.329 1.00 66.07 67 A 1 ATOM 537 C CA . SER A 0 67 . 3.222 4.812 -16.730 1.00 66.07 67 A 1 ATOM 538 C C . SER A 0 67 . 4.545 4.051 -16.959 1.00 66.07 67 A 1 ATOM 539 C CB . SER A 0 67 . 3.318 6.202 -17.363 1.00 66.07 67 A 1 ATOM 540 O O . SER A 0 67 . 4.603 3.326 -17.953 1.00 66.07 67 A 1 ATOM 541 O OG . SER A 0 67 . 3.606 6.087 -18.744 1.00 66.07 67 A 1 ATOM 542 N N . PRO A 0 68 . 5.594 4.164 -16.116 1.00 61.04 68 A 1 ATOM 543 C CA . PRO A 0 68 . 6.818 3.376 -16.264 1.00 61.04 68 A 1 ATOM 544 C C . PRO A 0 68 . 6.598 1.880 -16.006 1.00 61.04 68 A 1 ATOM 545 C CB . PRO A 0 68 . 7.828 3.963 -15.265 1.00 61.04 68 A 1 ATOM 546 O O . PRO A 0 68 . 7.210 1.059 -16.680 1.00 61.04 68 A 1 ATOM 547 C CG . PRO A 0 68 . 7.269 5.344 -14.930 1.00 61.04 68 A 1 ATOM 548 C CD . PRO A 0 68 . 5.770 5.109 -15.034 1.00 61.04 68 A 1 ATOM 549 N N . PHE A 0 69 . 5.686 1.516 -15.097 1.00 59.81 69 A 1 ATOM 550 C CA . PHE A 0 69 . 5.376 0.116 -14.782 1.00 59.81 69 A 1 ATOM 551 C C . PHE A 0 69 . 4.623 -0.586 -15.918 1.00 59.81 69 A 1 ATOM 552 C CB . PHE A 0 69 . 4.588 0.034 -13.466 1.00 59.81 69 A 1 ATOM 553 O O . PHE A 0 69 . 4.832 -1.772 -16.147 1.00 59.81 69 A 1 ATOM 554 C CG . PHE A 0 69 . 5.375 0.482 -12.250 1.00 59.81 69 A 1 ATOM 555 C CD1 . PHE A 0 69 . 6.220 -0.428 -11.586 1.00 59.81 69 A 1 ATOM 556 C CD2 . PHE A 0 69 . 5.296 1.811 -11.798 1.00 59.81 69 A 1 ATOM 557 C CE1 . PHE A 0 69 . 6.976 -0.009 -10.477 1.00 59.81 69 A 1 ATOM 558 C CE2 . PHE A 0 69 . 6.043 2.230 -10.685 1.00 59.81 69 A 1 ATOM 559 C CZ . PHE A 0 69 . 6.883 1.319 -10.022 1.00 59.81 69 A 1 ATOM 560 N N . TYR A 0 70 . 3.808 0.139 -16.694 1.00 59.97 70 A 1 ATOM 561 C CA . TYR A 0 70 . 3.184 -0.417 -17.906 1.00 59.97 70 A 1 ATOM 562 C C . TYR A 0 70 . 4.188 -0.709 -19.027 1.00 59.97 70 A 1 ATOM 563 C CB . TYR A 0 70 . 2.098 0.529 -18.433 1.00 59.97 70 A 1 ATOM 564 O O . TYR A 0 70 . 3.903 -1.533 -19.890 1.00 59.97 70 A 1 ATOM 565 C CG . TYR A 0 70 . 0.841 0.553 -17.593 1.00 59.97 70 A 1 ATOM 566 C CD1 . TYR A 0 70 . -0.056 -0.531 -17.644 1.00 59.97 70 A 1 ATOM 567 C CD2 . TYR A 0 70 . 0.560 1.660 -16.774 1.00 59.97 70 A 1 ATOM 568 C CE1 . TYR A 0 70 . -1.226 -0.514 -16.861 1.00 59.97 70 A 1 ATOM 569 C CE2 . TYR A 0 70 . -0.616 1.689 -16.003 1.00 59.97 70 A 1 ATOM 570 O OH . TYR A 0 70 . -2.622 0.601 -15.264 1.00 59.97 70 A 1 ATOM 571 C CZ . TYR A 0 70 . -1.502 0.592 -16.032 1.00 59.97 70 A 1 ATOM 572 N N . LYS A 0 71 . 5.352 -0.047 -19.029 1.00 56.16 71 A 1 ATOM 573 C CA . LYS A 0 71 . 6.407 -0.265 -20.030 1.00 56.16 71 A 1 ATOM 574 C C . LYS A 0 71 . 7.258 -1.513 -19.772 1.00 56.16 71 A 1 ATOM 575 C CB . LYS A 0 71 . 7.287 0.992 -20.153 1.00 56.16 71 A 1 ATOM 576 O O . LYS A 0 71 . 8.066 -1.846 -20.627 1.00 56.16 71 A 1 ATOM 577 C CG . LYS A 0 71 . 6.965 1.784 -21.426 1.00 56.16 71 A 1 ATOM 578 C CD . LYS A 0 71 . 7.974 2.923 -21.599 1.00 56.16 71 A 1 ATOM 579 C CE . LYS A 0 71 . 7.717 3.658 -22.916 1.00 56.16 71 A 1 ATOM 580 N NZ . LYS A 0 71 . 8.783 4.654 -23.187 1.00 56.16 71 A 1 ATOM 581 N N . PHE A 0 72 . 7.094 -2.183 -18.629 1.00 51.69 72 A 1 ATOM 582 C CA . PHE A 0 72 . 7.841 -3.398 -18.278 1.00 51.69 72 A 1 ATOM 583 C C . PHE A 0 72 . 7.146 -4.705 -18.708 1.00 51.69 72 A 1 ATOM 584 C CB . PHE A 0 72 . 8.254 -3.352 -16.794 1.00 51.69 72 A 1 ATOM 585 O O . PHE A 0 72 . 7.428 -5.770 -18.162 1.00 51.69 72 A 1 ATOM 586 C CG . PHE A 0 72 . 9.755 -3.242 -16.619 1.00 51.69 72 A 1 ATOM 587 C CD1 . PHE A 0 72 . 10.563 -4.389 -16.738 1.00 51.69 72 A 1 ATOM 588 C CD2 . PHE A 0 72 . 10.348 -1.990 -16.372 1.00 51.69 72 A 1 ATOM 589 C CE1 . PHE A 0 72 . 11.959 -4.285 -16.594 1.00 51.69 72 A 1 ATOM 590 C CE2 . PHE A 0 72 . 11.743 -1.887 -16.227 1.00 51.69 72 A 1 ATOM 591 C CZ . PHE A 0 72 . 12.548 -3.035 -16.335 1.00 51.69 72 A 1 ATOM 592 N N . ARG A 0 73 . 6.250 -4.630 -19.696 1.00 44.35 73 A 1 ATOM 593 C CA . ARG A 0 73 . 5.709 -5.788 -20.412 1.00 44.35 73 A 1 ATOM 594 C C . ARG A 0 73 . 6.207 -5.775 -21.849 1.00 44.35 73 A 1 ATOM 595 C CB . ARG A 0 73 . 4.179 -5.772 -20.335 1.00 44.35 73 A 1 ATOM 596 O O . ARG A 0 73 . 6.512 -6.878 -22.346 1.00 44.35 73 A 1 ATOM 597 C CG . ARG A 0 73 . 3.609 -7.089 -20.866 1.00 44.35 73 A 1 ATOM 598 C CD . ARG A 0 73 . 2.086 -7.081 -20.777 1.00 44.35 73 A 1 ATOM 599 N NE . ARG A 0 73 . 1.532 -8.371 -21.225 1.00 44.35 73 A 1 ATOM 600 N NH1 . ARG A 0 73 . -0.434 -8.284 -20.055 1.00 44.35 73 A 1 ATOM 601 N NH2 . ARG A 0 73 . 0.041 -10.081 -21.290 1.00 44.35 73 A 1 ATOM 602 C CZ . ARG A 0 73 . 0.386 -8.903 -20.856 1.00 44.35 73 A 1 ATOM 603 O OXT . ARG A 0 73 . 6.185 -4.664 -22.417 1.00 44.35 73 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 65.57 # loop_ _atom_type.symbol C N O S #