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 ASN 0 4 ILE 0 5 ASP 0 6 GLU 0 7 TYR 0 8 ILE 0 9 THR 0 10 CYS 0 11 ARG 0 12 SER 0 13 LYS 0 14 TYR 0 15 PHE 0 16 LYS 0 17 ALA 0 18 LYS 0 19 ARG 0 20 SER 0 21 ASN 0 22 GLU 0 23 THR 0 24 TRP 0 25 SER 0 26 THR 0 27 ILE 0 28 GLN 0 29 ASP 0 30 LEU 0 31 ARG 0 32 GLY 0 33 ASN 0 34 TYR 0 35 GLU 0 36 LYS 0 37 GLN 0 38 PHE 0 39 PRO 0 40 ASN 0 41 VAL 0 42 ASN 0 43 PHE 0 44 TYR 0 45 SER 0 46 SER 0 47 LYS 0 48 TRP 0 49 LYS 0 50 THR 0 51 SER 0 52 LEU 0 53 LYS 0 54 GLU 0 55 ASN 0 56 ALA 0 57 GLU 0 58 LEU 0 59 SER 0 60 LYS 0 61 ASN 0 62 VAL 0 63 MET 0 64 SER 0 65 GLU 0 66 ASN 0 67 SER 0 68 PHE 0 69 LYS 0 70 ILE 0 71 CYS 0 72 ASN 0 73 THR 0 74 LEU 0 75 ILE 0 76 PRO 0 77 TYR 0 78 GLN 0 79 THR 0 80 ILE 0 81 ASP 0 82 VAL 0 83 ARG 0 84 LEU 0 85 MET 0 86 ASP 0 87 GLU 0 88 HIS 0 89 ILE 0 90 LYS 0 91 MET 0 92 ASN 0 93 PHE 0 94 GLY 0 95 PHE 0 96 ILE 0 97 LYS 0 98 GLU 0 99 PHE 0 100 ASN 0 101 THR 0 102 GLY 0 103 PHE 0 104 VAL 0 105 LYS 0 106 TYR 0 107 ASP 0 108 PHE 0 109 LEU 0 110 SER 0 111 GLN 0 112 ILE 0 113 LEU 0 114 LYS 0 115 VAL 0 116 MET 0 117 SER 0 118 LYS 0 119 ASP 0 120 GLY 0 121 ASN # 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 . -15.998 2.970 26.253 1.00 51.95 1 A 1 ATOM 2 C CA . MET A 0 1 . -16.334 2.227 25.021 1.00 51.95 1 A 1 ATOM 3 C C . MET A 0 1 . -15.073 1.496 24.543 1.00 51.95 1 A 1 ATOM 4 C CB . MET A 0 1 . -16.901 3.245 24.005 1.00 51.95 1 A 1 ATOM 5 O O . MET A 0 1 . -14.414 1.983 23.645 1.00 51.95 1 A 1 ATOM 6 C CG . MET A 0 1 . -17.658 2.641 22.822 1.00 51.95 1 A 1 ATOM 7 S SD . MET A 0 1 . -18.631 3.875 21.915 1.00 51.95 1 A 1 ATOM 8 C CE . MET A 0 1 . -17.345 4.733 20.964 1.00 51.95 1 A 1 ATOM 9 N N . LYS A 0 2 . -14.669 0.388 25.197 1.00 60.59 2 A 1 ATOM 10 C CA . LYS A 0 2 . -13.336 -0.244 24.999 1.00 60.59 2 A 1 ATOM 11 C C . LYS A 0 2 . -13.092 -0.768 23.575 1.00 60.59 2 A 1 ATOM 12 C CB . LYS A 0 2 . -13.126 -1.393 26.009 1.00 60.59 2 A 1 ATOM 13 O O . LYS A 0 2 . -11.964 -0.800 23.108 1.00 60.59 2 A 1 ATOM 14 C CG . LYS A 0 2 . -12.816 -0.901 27.433 1.00 60.59 2 A 1 ATOM 15 C CD . LYS A 0 2 . -12.518 -2.081 28.372 1.00 60.59 2 A 1 ATOM 16 C CE . LYS A 0 2 . -12.083 -1.590 29.760 1.00 60.59 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -11.756 -2.724 30.663 1.00 60.59 2 A 1 ATOM 18 N N . ASN A 0 3 . -14.160 -1.114 22.870 1.00 88.03 3 A 1 ATOM 19 C CA . ASN A 0 3 . -14.062 -1.810 21.596 1.00 88.03 3 A 1 ATOM 20 C C . ASN A 0 3 . -13.699 -0.913 20.401 1.00 88.03 3 A 1 ATOM 21 C CB . ASN A 0 3 . -15.408 -2.485 21.356 1.00 88.03 3 A 1 ATOM 22 O O . ASN A 0 3 . -13.292 -1.422 19.357 1.00 88.03 3 A 1 ATOM 23 C CG . ASN A 0 3 . -15.722 -3.630 22.307 1.00 88.03 3 A 1 ATOM 24 N ND2 . ASN A 0 3 . -16.519 -4.574 21.878 1.00 88.03 3 A 1 ATOM 25 O OD1 . ASN A 0 3 . -15.332 -3.643 23.463 1.00 88.03 3 A 1 ATOM 26 N N . ILE A 0 4 . -13.867 0.410 20.521 1.00 89.96 4 A 1 ATOM 27 C CA . ILE A 0 4 . -13.628 1.313 19.389 1.00 89.96 4 A 1 ATOM 28 C C . ILE A 0 4 . -12.137 1.540 19.144 1.00 89.96 4 A 1 ATOM 29 C CB . ILE A 0 4 . -14.424 2.625 19.546 1.00 89.96 4 A 1 ATOM 30 O O . ILE A 0 4 . -11.704 1.537 17.997 1.00 89.96 4 A 1 ATOM 31 C CG1 . ILE A 0 4 . -14.631 3.340 18.194 1.00 89.96 4 A 1 ATOM 32 C CG2 . ILE A 0 4 . -13.798 3.595 20.562 1.00 89.96 4 A 1 ATOM 33 C CD1 . ILE A 0 4 . -15.383 2.460 17.181 1.00 89.96 4 A 1 ATOM 34 N N . ASP A 0 5 . -11.338 1.644 20.205 1.00 92.05 5 A 1 ATOM 35 C CA . ASP A 0 5 . -9.890 1.842 20.100 1.00 92.05 5 A 1 ATOM 36 C C . ASP A 0 5 . -9.207 0.597 19.515 1.00 92.05 5 A 1 ATOM 37 C CB . ASP A 0 5 . -9.318 2.173 21.487 1.00 92.05 5 A 1 ATOM 38 O O . ASP A 0 5 . -8.327 0.691 18.652 1.00 92.05 5 A 1 ATOM 39 C CG . ASP A 0 5 . -9.898 3.456 22.092 1.00 92.05 5 A 1 ATOM 40 O OD1 . ASP A 0 5 . -10.228 4.375 21.311 1.00 92.05 5 A 1 ATOM 41 O OD2 . ASP A 0 5 . -10.052 3.484 23.334 1.00 92.05 5 A 1 ATOM 42 N N . GLU A 0 6 . -9.666 -0.590 19.924 1.00 93.74 6 A 1 ATOM 43 C CA . GLU A 0 6 . -9.232 -1.868 19.354 1.00 93.74 6 A 1 ATOM 44 C C . GLU A 0 6 . -9.631 -1.980 17.878 1.00 93.74 6 A 1 ATOM 45 C CB . GLU A 0 6 . -9.829 -3.034 20.153 1.00 93.74 6 A 1 ATOM 46 O O . GLU A 0 6 . -8.814 -2.387 17.046 1.00 93.74 6 A 1 ATOM 47 C CG . GLU A 0 6 . -9.260 -3.119 21.578 1.00 93.74 6 A 1 ATOM 48 C CD . GLU A 0 6 . -9.836 -4.292 22.388 1.00 93.74 6 A 1 ATOM 49 O OE1 . GLU A 0 6 . -9.360 -4.484 23.530 1.00 93.74 6 A 1 ATOM 50 O OE2 . GLU A 0 6 . -10.749 -4.979 21.876 1.00 93.74 6 A 1 ATOM 51 N N . TYR A 0 7 . -10.848 -1.553 17.524 1.00 94.20 7 A 1 ATOM 52 C CA . TYR A 0 7 . -11.304 -1.498 16.136 1.00 94.20 7 A 1 ATOM 53 C C . TYR A 0 7 . -10.435 -0.571 15.284 1.00 94.20 7 A 1 ATOM 54 C CB . TYR A 0 7 . -12.771 -1.066 16.083 1.00 94.20 7 A 1 ATOM 55 O O . TYR A 0 7 . -9.938 -0.990 14.237 1.00 94.20 7 A 1 ATOM 56 C CG . TYR A 0 7 . -13.292 -0.899 14.670 1.00 94.20 7 A 1 ATOM 57 C CD1 . TYR A 0 7 . -13.272 0.359 14.034 1.00 94.20 7 A 1 ATOM 58 C CD2 . TYR A 0 7 . -13.768 -2.023 13.980 1.00 94.20 7 A 1 ATOM 59 C CE1 . TYR A 0 7 . -13.736 0.487 12.710 1.00 94.20 7 A 1 ATOM 60 C CE2 . TYR A 0 7 . -14.243 -1.903 12.661 1.00 94.20 7 A 1 ATOM 61 O OH . TYR A 0 7 . -14.706 -0.541 10.758 1.00 94.20 7 A 1 ATOM 62 C CZ . TYR A 0 7 . -14.237 -0.644 12.028 1.00 94.20 7 A 1 ATOM 63 N N . ILE A 0 8 . -10.197 0.661 15.745 1.00 94.38 8 A 1 ATOM 64 C CA . ILE A 0 8 . -9.349 1.644 15.059 1.00 94.38 8 A 1 ATOM 65 C C . ILE A 0 8 . -7.942 1.079 14.874 1.00 94.38 8 A 1 ATOM 66 C CB . ILE A 0 8 . -9.323 2.973 15.849 1.00 94.38 8 A 1 ATOM 67 O O . ILE A 0 8 . -7.372 1.185 13.785 1.00 94.38 8 A 1 ATOM 68 C CG1 . ILE A 0 8 . -10.697 3.677 15.767 1.00 94.38 8 A 1 ATOM 69 C CG2 . ILE A 0 8 . -8.223 3.918 15.322 1.00 94.38 8 A 1 ATOM 70 C CD1 . ILE A 0 8 . -10.872 4.777 16.823 1.00 94.38 8 A 1 ATOM 71 N N . THR A 0 9 . -7.391 0.427 15.898 1.00 95.87 9 A 1 ATOM 72 C CA . THR A 0 9 . -6.073 -0.213 15.833 1.00 95.87 9 A 1 ATOM 73 C C . THR A 0 9 . -6.046 -1.333 14.793 1.00 95.87 9 A 1 ATOM 74 C CB . THR A 0 9 . -5.667 -0.749 17.212 1.00 95.87 9 A 1 ATOM 75 O O . THR A 0 9 . -5.146 -1.367 13.949 1.00 95.87 9 A 1 ATOM 76 C CG2 . THR A 0 9 . -4.293 -1.424 17.191 1.00 95.87 9 A 1 ATOM 77 O OG1 . THR A 0 9 . -5.574 0.323 18.114 1.00 95.87 9 A 1 ATOM 78 N N . CYS A 0 10 . -7.046 -2.218 14.803 1.00 96.31 10 A 1 ATOM 79 C CA . CYS A 0 10 . -7.187 -3.312 13.842 1.00 96.31 10 A 1 ATOM 80 C C . CYS A 0 10 . -7.287 -2.778 12.404 1.00 96.31 10 A 1 ATOM 81 C CB . CYS A 0 10 . -8.414 -4.144 14.244 1.00 96.31 10 A 1 ATOM 82 O O . CYS A 0 10 . -6.507 -3.154 11.524 1.00 96.31 10 A 1 ATOM 83 S SG . CYS A 0 10 . -8.680 -5.661 13.287 1.00 96.31 10 A 1 ATOM 84 N N . ARG A 0 11 . -8.178 -1.807 12.169 1.00 95.92 11 A 1 ATOM 85 C CA . ARG A 0 11 . -8.361 -1.158 10.865 1.00 95.92 11 A 1 ATOM 86 C C . ARG A 0 11 . -7.113 -0.450 10.378 1.00 95.92 11 A 1 ATOM 87 C CB . ARG A 0 11 . -9.512 -0.143 10.959 1.00 95.92 11 A 1 ATOM 88 O O . ARG A 0 11 . -6.748 -0.579 9.208 1.00 95.92 11 A 1 ATOM 89 C CG . ARG A 0 11 . -10.883 -0.808 11.031 1.00 95.92 11 A 1 ATOM 90 C CD . ARG A 0 11 . -11.116 -1.658 9.784 1.00 95.92 11 A 1 ATOM 91 N NE . ARG A 0 11 . -12.383 -1.331 9.139 1.00 95.92 11 A 1 ATOM 92 N NH1 . ARG A 0 11 . -12.381 -3.126 7.793 1.00 95.92 11 A 1 ATOM 93 N NH2 . ARG A 0 11 . -14.086 -1.681 7.677 1.00 95.92 11 A 1 ATOM 94 C CZ . ARG A 0 11 . -12.964 -2.046 8.213 1.00 95.92 11 A 1 ATOM 95 N N . SER A 0 12 . -6.433 0.254 11.272 1.00 97.49 12 A 1 ATOM 96 C CA . SER A 0 12 . -5.196 0.957 10.953 1.00 97.49 12 A 1 ATOM 97 C C . SER A 0 12 . -4.102 -0.013 10.526 1.00 97.49 12 A 1 ATOM 98 C CB . SER A 0 12 . -4.731 1.801 12.138 1.00 97.49 12 A 1 ATOM 99 O O . SER A 0 12 . -3.460 0.214 9.502 1.00 97.49 12 A 1 ATOM 100 O OG . SER A 0 12 . -5.683 2.807 12.390 1.00 97.49 12 A 1 ATOM 101 N N . LYS A 0 13 . -3.929 -1.135 11.240 1.00 97.77 13 A 1 ATOM 102 C CA . LYS A 0 13 . -2.985 -2.193 10.851 1.00 97.77 13 A 1 ATOM 103 C C . LYS A 0 13 . -3.315 -2.761 9.473 1.00 97.77 13 A 1 ATOM 104 C CB . LYS A 0 13 . -2.980 -3.311 11.902 1.00 97.77 13 A 1 ATOM 105 O O . LYS A 0 13 . -2.422 -2.844 8.628 1.00 97.77 13 A 1 ATOM 106 C CG . LYS A 0 13 . -2.224 -2.917 13.178 1.00 97.77 13 A 1 ATOM 107 C CD . LYS A 0 13 . -2.338 -4.050 14.203 1.00 97.77 13 A 1 ATOM 108 C CE . LYS A 0 13 . -1.553 -3.747 15.482 1.00 97.77 13 A 1 ATOM 109 N NZ . LYS A 0 13 . -1.665 -4.873 16.443 1.00 97.77 13 A 1 ATOM 110 N N . TYR A 0 14 . -4.586 -3.071 9.215 1.00 97.70 14 A 1 ATOM 111 C CA . TYR A 0 14 . -5.025 -3.566 7.912 1.00 97.70 14 A 1 ATOM 112 C C . TYR A 0 14 . -4.708 -2.585 6.782 1.00 97.70 14 A 1 ATOM 113 C CB . TYR A 0 14 . -6.528 -3.854 7.930 1.00 97.70 14 A 1 ATOM 114 O O . TYR A 0 14 . -4.068 -2.956 5.798 1.00 97.70 14 A 1 ATOM 115 C CG . TYR A 0 14 . -7.026 -4.373 6.593 1.00 97.70 14 A 1 ATOM 116 C CD1 . TYR A 0 14 . -7.394 -3.459 5.586 1.00 97.70 14 A 1 ATOM 117 C CD2 . TYR A 0 14 . -7.024 -5.753 6.319 1.00 97.70 14 A 1 ATOM 118 C CE1 . TYR A 0 14 . -7.712 -3.923 4.298 1.00 97.70 14 A 1 ATOM 119 C CE2 . TYR A 0 14 . -7.417 -6.227 5.052 1.00 97.70 14 A 1 ATOM 120 O OH . TYR A 0 14 . -8.177 -5.739 2.818 1.00 97.70 14 A 1 ATOM 121 C CZ . TYR A 0 14 . -7.770 -5.307 4.041 1.00 97.70 14 A 1 ATOM 122 N N . PHE A 0 15 . -5.150 -1.328 6.897 1.00 97.82 15 A 1 ATOM 123 C CA . PHE A 0 15 . -4.978 -0.353 5.822 1.00 97.82 15 A 1 ATOM 124 C C . PHE A 0 15 . -3.512 0.021 5.627 1.00 97.82 15 A 1 ATOM 125 C CB . PHE A 0 15 . -5.853 0.881 6.056 1.00 97.82 15 A 1 ATOM 126 O O . PHE A 0 15 . -3.077 0.120 4.481 1.00 97.82 15 A 1 ATOM 127 C CG . PHE A 0 15 . -7.309 0.686 5.674 1.00 97.82 15 A 1 ATOM 128 C CD1 . PHE A 0 15 . -7.657 0.457 4.327 1.00 97.82 15 A 1 ATOM 129 C CD2 . PHE A 0 15 . -8.321 0.769 6.647 1.00 97.82 15 A 1 ATOM 130 C CE1 . PHE A 0 15 . -9.009 0.313 3.961 1.00 97.82 15 A 1 ATOM 131 C CE2 . PHE A 0 15 . -9.670 0.636 6.281 1.00 97.82 15 A 1 ATOM 132 C CZ . PHE A 0 15 . -10.015 0.411 4.939 1.00 97.82 15 A 1 ATOM 133 N N . LYS A 0 16 . -2.723 0.132 6.701 1.00 96.77 16 A 1 ATOM 134 C CA . LYS A 0 16 . -1.269 0.310 6.610 1.00 96.77 16 A 1 ATOM 135 C C . LYS A 0 16 . -0.622 -0.810 5.800 1.00 96.77 16 A 1 ATOM 136 C CB . LYS A 0 16 . -0.677 0.373 8.024 1.00 96.77 16 A 1 ATOM 137 O O . LYS A 0 16 . 0.114 -0.537 4.854 1.00 96.77 16 A 1 ATOM 138 C CG . LYS A 0 16 . 0.822 0.701 8.001 1.00 96.77 16 A 1 ATOM 139 C CD . LYS A 0 16 . 1.371 0.850 9.425 1.00 96.77 16 A 1 ATOM 140 C CE . LYS A 0 16 . 2.875 1.141 9.369 1.00 96.77 16 A 1 ATOM 141 N NZ . LYS A 0 16 . 3.460 1.324 10.722 1.00 96.77 16 A 1 ATOM 142 N N . ALA A 0 17 . -0.926 -2.061 6.138 1.00 96.75 17 A 1 ATOM 143 C CA . ALA A 0 17 . -0.379 -3.226 5.454 1.00 96.75 17 A 1 ATOM 144 C C . ALA A 0 17 . -0.844 -3.304 3.992 1.00 96.75 17 A 1 ATOM 145 C CB . ALA A 0 17 . -0.776 -4.455 6.266 1.00 96.75 17 A 1 ATOM 146 O O . ALA A 0 17 . -0.029 -3.477 3.086 1.00 96.75 17 A 1 ATOM 147 N N . LYS A 0 18 . -2.130 -3.053 3.728 1.00 96.57 18 A 1 ATOM 148 C CA . LYS A 0 18 . -2.666 -2.973 2.365 1.00 96.57 18 A 1 ATOM 149 C C . LYS A 0 18 . -1.926 -1.934 1.526 1.00 96.57 18 A 1 ATOM 150 C CB . LYS A 0 18 . -4.176 -2.707 2.427 1.00 96.57 18 A 1 ATOM 151 O O . LYS A 0 18 . -1.503 -2.235 0.413 1.00 96.57 18 A 1 ATOM 152 C CG . LYS A 0 18 . -4.769 -2.606 1.016 1.00 96.57 18 A 1 ATOM 153 C CD . LYS A 0 18 . -6.294 -2.509 1.049 1.00 96.57 18 A 1 ATOM 154 C CE . LYS A 0 18 . -6.784 -2.350 -0.392 1.00 96.57 18 A 1 ATOM 155 N NZ . LYS A 0 18 . -8.260 -2.421 -0.489 1.00 96.57 18 A 1 ATOM 156 N N . ARG A 0 19 . -1.735 -0.724 2.056 1.00 95.27 19 A 1 ATOM 157 C CA . ARG A 0 19 . -1.034 0.354 1.346 1.00 95.27 19 A 1 ATOM 158 C C . ARG A 0 19 . 0.446 0.065 1.163 1.00 95.27 19 A 1 ATOM 159 C CB . ARG A 0 19 . -1.256 1.691 2.062 1.00 95.27 19 A 1 ATOM 160 O O . ARG A 0 19 . 0.965 0.367 0.096 1.00 95.27 19 A 1 ATOM 161 C CG . ARG A 0 19 . -2.720 2.144 1.998 1.00 95.27 19 A 1 ATOM 162 C CD . ARG A 0 19 . -3.259 2.293 0.584 1.00 95.27 19 A 1 ATOM 163 N NE . ARG A 0 19 . -4.571 2.945 0.635 1.00 95.27 19 A 1 ATOM 164 N NH1 . ARG A 0 19 . -5.185 2.533 -1.547 1.00 95.27 19 A 1 ATOM 165 N NH2 . ARG A 0 19 . -6.405 3.891 -0.248 1.00 95.27 19 A 1 ATOM 166 C CZ . ARG A 0 19 . -5.379 3.103 -0.388 1.00 95.27 19 A 1 ATOM 167 N N . SER A 0 20 . 1.099 -0.570 2.131 1.00 93.13 20 A 1 ATOM 168 C CA . SER A 0 20 . 2.473 -1.066 1.995 1.00 93.13 20 A 1 ATOM 169 C C . SER A 0 20 . 2.603 -2.062 0.832 1.00 93.13 20 A 1 ATOM 170 C CB . SER A 0 20 . 2.895 -1.698 3.324 1.00 93.13 20 A 1 ATOM 171 O O . SER A 0 20 . 3.426 -1.869 -0.061 1.00 93.13 20 A 1 ATOM 172 O OG . SER A 0 20 . 4.186 -2.250 3.236 1.00 93.13 20 A 1 ATOM 173 N N . ASN A 0 21 . 1.718 -3.062 0.761 1.00 94.31 21 A 1 ATOM 174 C CA . ASN A 0 21 . 1.716 -4.052 -0.321 1.00 94.31 21 A 1 ATOM 175 C C . ASN A 0 21 . 1.403 -3.436 -1.703 1.00 94.31 21 A 1 ATOM 176 C CB . ASN A 0 21 . 0.718 -5.156 0.057 1.00 94.31 21 A 1 ATOM 177 O O . ASN A 0 21 . 2.020 -3.790 -2.710 1.00 94.31 21 A 1 ATOM 178 C CG . ASN A 0 21 . 0.745 -6.292 -0.948 1.00 94.31 21 A 1 ATOM 179 N ND2 . ASN A 0 21 . -0.337 -6.520 -1.656 1.00 94.31 21 A 1 ATOM 180 O OD1 . ASN A 0 21 . 1.736 -6.977 -1.128 1.00 94.31 21 A 1 ATOM 181 N N . GLU A 0 22 . 0.468 -2.485 -1.765 1.00 94.17 22 A 1 ATOM 182 C CA . GLU A 0 22 . 0.198 -1.722 -2.990 1.00 94.17 22 A 1 ATOM 183 C C . GLU A 0 22 . 1.399 -0.857 -3.404 1.00 94.17 22 A 1 ATOM 184 C CB . GLU A 0 22 . -1.011 -0.802 -2.794 1.00 94.17 22 A 1 ATOM 185 O O . GLU A 0 22 . 1.736 -0.823 -4.582 1.00 94.17 22 A 1 ATOM 186 C CG . GLU A 0 22 . -2.387 -1.487 -2.754 1.00 94.17 22 A 1 ATOM 187 C CD . GLU A 0 22 . -3.512 -0.479 -2.443 1.00 94.17 22 A 1 ATOM 188 O OE1 . GLU A 0 22 . -4.644 -0.904 -2.116 1.00 94.17 22 A 1 ATOM 189 O OE2 . GLU A 0 22 . -3.268 0.758 -2.516 1.00 94.17 22 A 1 ATOM 190 N N . THR A 0 23 . 2.049 -0.179 -2.450 1.00 92.69 23 A 1 ATOM 191 C CA . THR A 0 23 . 3.248 0.646 -2.690 1.00 92.69 23 A 1 ATOM 192 C C . THR A 0 23 . 4.353 -0.199 -3.311 1.00 92.69 23 A 1 ATOM 193 C CB . THR A 0 23 . 3.777 1.273 -1.386 1.00 92.69 23 A 1 ATOM 194 O O . THR A 0 23 . 4.942 0.196 -4.311 1.00 92.69 23 A 1 ATOM 195 C CG2 . THR A 0 23 . 4.992 2.171 -1.591 1.00 92.69 23 A 1 ATOM 196 O OG1 . THR A 0 23 . 2.797 2.070 -0.772 1.00 92.69 23 A 1 ATOM 197 N N . TRP A 0 24 . 4.586 -1.396 -2.767 1.00 91.49 24 A 1 ATOM 198 C CA . TRP A 0 24 . 5.534 -2.350 -3.334 1.00 91.49 24 A 1 ATOM 199 C C . TRP A 0 24 . 5.216 -2.698 -4.790 1.00 91.49 24 A 1 ATOM 200 C CB . TRP A 0 24 . 5.542 -3.626 -2.492 1.00 91.49 24 A 1 ATOM 201 O O . TRP A 0 24 . 6.099 -2.612 -5.641 1.00 91.49 24 A 1 ATOM 202 C CG . TRP A 0 24 . 6.171 -4.800 -3.172 1.00 91.49 24 A 1 ATOM 203 C CD1 . TRP A 0 24 . 5.567 -5.980 -3.435 1.00 91.49 24 A 1 ATOM 204 C CD2 . TRP A 0 24 . 7.517 -4.917 -3.719 1.00 91.49 24 A 1 ATOM 205 C CE2 . TRP A 0 24 . 7.721 -6.268 -4.117 1.00 91.49 24 A 1 ATOM 206 C CE3 . TRP A 0 24 . 8.588 -4.024 -3.922 1.00 91.49 24 A 1 ATOM 207 N NE1 . TRP A 0 24 . 6.479 -6.849 -3.999 1.00 91.49 24 A 1 ATOM 208 C CH2 . TRP A 0 24 . 10.062 -5.869 -4.541 1.00 91.49 24 A 1 ATOM 209 C CZ2 . TRP A 0 24 . 8.975 -6.753 -4.510 1.00 91.49 24 A 1 ATOM 210 C CZ3 . TRP A 0 24 . 9.850 -4.497 -4.329 1.00 91.49 24 A 1 ATOM 211 N N . SER A 0 25 . 3.963 -3.055 -5.076 1.00 92.60 25 A 1 ATOM 212 C CA . SER A 0 25 . 3.539 -3.431 -6.430 1.00 92.60 25 A 1 ATOM 213 C C . SER A 0 25 . 3.751 -2.271 -7.409 1.00 92.60 25 A 1 ATOM 214 C CB . SER A 0 25 . 2.075 -3.884 -6.434 1.00 92.60 25 A 1 ATOM 215 O O . SER A 0 25 . 4.379 -2.443 -8.447 1.00 92.60 25 A 1 ATOM 216 O OG . SER A 0 25 . 1.857 -4.921 -5.486 1.00 92.60 25 A 1 ATOM 217 N N . THR A 0 26 . 3.349 -1.055 -7.027 1.00 93.99 26 A 1 ATOM 218 C CA . THR A 0 26 . 3.561 0.151 -7.841 1.00 93.99 26 A 1 ATOM 219 C C . THR A 0 26 . 5.044 0.447 -8.079 1.00 93.99 26 A 1 ATOM 220 C CB . THR A 0 26 . 2.890 1.359 -7.169 1.00 93.99 26 A 1 ATOM 221 O O . THR A 0 26 . 5.434 0.810 -9.186 1.00 93.99 26 A 1 ATOM 222 C CG2 . THR A 0 26 . 3.006 2.630 -8.002 1.00 93.99 26 A 1 ATOM 223 O OG1 . THR A 0 26 . 1.507 1.115 -7.008 1.00 93.99 26 A 1 ATOM 224 N N . ILE A 0 27 . 5.888 0.275 -7.063 1.00 92.16 27 A 1 ATOM 225 C CA . ILE A 0 27 . 7.337 0.462 -7.175 1.00 92.16 27 A 1 ATOM 226 C C . ILE A 0 27 . 7.968 -0.591 -8.106 1.00 92.16 27 A 1 ATOM 227 C CB . ILE A 0 27 . 7.939 0.471 -5.751 1.00 92.16 27 A 1 ATOM 228 O O . ILE A 0 27 . 8.857 -0.250 -8.890 1.00 92.16 27 A 1 ATOM 229 C CG1 . ILE A 0 27 . 7.670 1.817 -5.047 1.00 92.16 27 A 1 ATOM 230 C CG2 . ILE A 0 27 . 9.436 0.168 -5.770 1.00 92.16 27 A 1 ATOM 231 C CD1 . ILE A 0 27 . 8.007 1.776 -3.550 1.00 92.16 27 A 1 ATOM 232 N N . GLN A 0 28 . 7.510 -1.847 -8.054 1.00 91.10 28 A 1 ATOM 233 C CA . GLN A 0 28 . 7.950 -2.905 -8.973 1.00 91.10 28 A 1 ATOM 234 C C . GLN A 0 28 . 7.589 -2.580 -10.421 1.00 91.10 28 A 1 ATOM 235 C CB . GLN A 0 28 . 7.327 -4.260 -8.596 1.00 91.10 28 A 1 ATOM 236 O O . GLN A 0 28 . 8.456 -2.674 -11.289 1.00 91.10 28 A 1 ATOM 237 C CG . GLN A 0 28 . 8.027 -4.948 -7.426 1.00 91.10 28 A 1 ATOM 238 C CD . GLN A 0 28 . 9.424 -5.443 -7.794 1.00 91.10 28 A 1 ATOM 239 N NE2 . GLN A 0 28 . 10.465 -4.892 -7.221 1.00 91.10 28 A 1 ATOM 240 O OE1 . GLN A 0 28 . 9.650 -6.328 -8.603 1.00 91.10 28 A 1 ATOM 241 N N . ASP A 0 29 . 6.350 -2.156 -10.669 1.00 93.85 29 A 1 ATOM 242 C CA . ASP A 0 29 . 5.889 -1.789 -12.009 1.00 93.85 29 A 1 ATOM 243 C C . ASP A 0 29 . 6.678 -0.595 -12.554 1.00 93.85 29 A 1 ATOM 244 C CB . ASP A 0 29 . 4.390 -1.453 -11.974 1.00 93.85 29 A 1 ATOM 245 O O . ASP A 0 29 . 7.155 -0.617 -13.690 1.00 93.85 29 A 1 ATOM 246 C CG . ASP A 0 29 . 3.487 -2.650 -11.658 1.00 93.85 29 A 1 ATOM 247 O OD1 . ASP A 0 29 . 3.928 -3.801 -11.877 1.00 93.85 29 A 1 ATOM 248 O OD2 . ASP A 0 29 . 2.345 -2.385 -11.217 1.00 93.85 29 A 1 ATOM 249 N N . LEU A 0 30 . 6.878 0.435 -11.723 1.00 93.69 30 A 1 ATOM 250 C CA . LEU A 0 30 . 7.651 1.621 -12.085 1.00 93.69 30 A 1 ATOM 251 C C . LEU A 0 30 . 9.081 1.254 -12.484 1.00 93.69 30 A 1 ATOM 252 C CB . LEU A 0 30 . 7.648 2.605 -10.905 1.00 93.69 30 A 1 ATOM 253 O O . LEU A 0 30 . 9.559 1.681 -13.534 1.00 93.69 30 A 1 ATOM 254 C CG . LEU A 0 30 . 8.377 3.921 -11.220 1.00 93.69 30 A 1 ATOM 255 C CD1 . LEU A 0 30 . 7.651 4.730 -12.296 1.00 93.69 30 A 1 ATOM 256 C CD2 . LEU A 0 30 . 8.459 4.766 -9.954 1.00 93.69 30 A 1 ATOM 257 N N . ARG A 0 31 . 9.747 0.432 -11.669 1.00 91.91 31 A 1 ATOM 258 C CA . ARG A 0 31 . 11.084 -0.060 -11.985 1.00 91.91 31 A 1 ATOM 259 C C . ARG A 0 31 . 11.086 -0.856 -13.281 1.00 91.91 31 A 1 ATOM 260 C CB . ARG A 0 31 . 11.608 -0.908 -10.833 1.00 91.91 31 A 1 ATOM 261 O O . ARG A 0 31 . 11.918 -0.581 -14.130 1.00 91.91 31 A 1 ATOM 262 C CG . ARG A 0 31 . 12.901 -1.625 -11.241 1.00 91.91 31 A 1 ATOM 263 C CD . ARG A 0 31 . 13.388 -2.417 -10.052 1.00 91.91 31 A 1 ATOM 264 N NE . ARG A 0 31 . 14.128 -3.609 -10.464 1.00 91.91 31 A 1 ATOM 265 N NH1 . ARG A 0 31 . 12.740 -5.255 -9.677 1.00 91.91 31 A 1 ATOM 266 N NH2 . ARG A 0 31 . 14.304 -5.692 -11.244 1.00 91.91 31 A 1 ATOM 267 C CZ . ARG A 0 31 . 13.727 -4.856 -10.438 1.00 91.91 31 A 1 ATOM 268 N N . GLY A 0 32 . 10.187 -1.827 -13.438 1.00 92.55 32 A 1 ATOM 269 C CA . GLY A 0 32 . 10.151 -2.669 -14.633 1.00 92.55 32 A 1 ATOM 270 C C . GLY A 0 32 . 9.957 -1.851 -15.912 1.00 92.55 32 A 1 ATOM 271 O O . GLY A 0 32 . 10.529 -2.177 -16.949 1.00 92.55 32 A 1 ATOM 272 N N . ASN A 0 33 . 9.200 -0.755 -15.836 1.00 95.26 33 A 1 ATOM 273 C CA . ASN A 0 33 . 9.039 0.180 -16.946 1.00 95.26 33 A 1 ATOM 274 C C . ASN A 0 33 . 10.313 0.986 -17.226 1.00 95.26 33 A 1 ATOM 275 C CB . ASN A 0 33 . 7.836 1.087 -16.652 1.00 95.26 33 A 1 ATOM 276 O O . ASN A 0 33 . 10.680 1.143 -18.390 1.00 95.26 33 A 1 ATOM 277 C CG . ASN A 0 33 . 6.516 0.341 -16.735 1.00 95.26 33 A 1 ATOM 278 N ND2 . ASN A 0 33 . 5.497 0.829 -16.070 1.00 95.26 33 A 1 ATOM 279 O OD1 . ASN A 0 33 . 6.373 -0.663 -17.419 1.00 95.26 33 A 1 ATOM 280 N N . TYR A 0 34 . 11.002 1.475 -16.193 1.00 94.61 34 A 1 ATOM 281 C CA . TYR A 0 34 . 12.242 2.231 -16.370 1.00 94.61 34 A 1 ATOM 282 C C . TYR A 0 34 . 13.443 1.359 -16.747 1.00 94.61 34 A 1 ATOM 283 C CB . TYR A 0 34 . 12.540 3.057 -15.121 1.00 94.61 34 A 1 ATOM 284 O O . TYR A 0 34 . 14.225 1.784 -17.583 1.00 94.61 34 A 1 ATOM 285 C CG . TYR A 0 34 . 11.628 4.233 -14.813 1.00 94.61 34 A 1 ATOM 286 C CD1 . TYR A 0 34 . 10.777 4.815 -15.778 1.00 94.61 34 A 1 ATOM 287 C CD2 . TYR A 0 34 . 11.731 4.814 -13.539 1.00 94.61 34 A 1 ATOM 288 C CE1 . TYR A 0 34 . 10.032 5.967 -15.460 1.00 94.61 34 A 1 ATOM 289 C CE2 . TYR A 0 34 . 11.006 5.977 -13.219 1.00 94.61 34 A 1 ATOM 290 O OH . TYR A 0 34 . 9.482 7.694 -13.872 1.00 94.61 34 A 1 ATOM 291 C CZ . TYR A 0 34 . 10.157 6.556 -14.185 1.00 94.61 34 A 1 ATOM 292 N N . GLU A 0 35 . 13.568 0.132 -16.238 1.00 92.72 35 A 1 ATOM 293 C CA . GLU A 0 35 . 14.604 -0.829 -16.655 1.00 92.72 35 A 1 ATOM 294 C C . GLU A 0 35 . 14.508 -1.143 -18.154 1.00 92.72 35 A 1 ATOM 295 C CB . GLU A 0 35 . 14.479 -2.140 -15.849 1.00 92.72 35 A 1 ATOM 296 O O . GLU A 0 35 . 15.526 -1.260 -18.826 1.00 92.72 35 A 1 ATOM 297 C CG . GLU A 0 35 . 15.046 -2.036 -14.425 1.00 92.72 35 A 1 ATOM 298 C CD . GLU A 0 35 . 14.922 -3.333 -13.600 1.00 92.72 35 A 1 ATOM 299 O OE1 . GLU A 0 35 . 15.699 -3.527 -12.635 1.00 92.72 35 A 1 ATOM 300 O OE2 . GLU A 0 35 . 13.973 -4.131 -13.774 1.00 92.72 35 A 1 ATOM 301 N N . LYS A 0 36 . 13.289 -1.230 -18.707 1.00 94.85 36 A 1 ATOM 302 C CA . LYS A 0 36 . 13.084 -1.430 -20.152 1.00 94.85 36 A 1 ATOM 303 C C . LYS A 0 36 . 13.525 -0.229 -20.988 1.00 94.85 36 A 1 ATOM 304 C CB . LYS A 0 36 . 11.609 -1.728 -20.440 1.00 94.85 36 A 1 ATOM 305 O O . LYS A 0 36 . 14.005 -0.416 -22.099 1.00 94.85 36 A 1 ATOM 306 C CG . LYS A 0 36 . 11.191 -3.133 -19.995 1.00 94.85 36 A 1 ATOM 307 C CD . LYS A 0 36 . 9.671 -3.263 -20.126 1.00 94.85 36 A 1 ATOM 308 C CE . LYS A 0 36 . 9.194 -4.596 -19.551 1.00 94.85 36 A 1 ATOM 309 N NZ . LYS A 0 36 . 7.715 -4.689 -19.609 1.00 94.85 36 A 1 ATOM 310 N N . GLN A 0 37 . 13.317 0.987 -20.483 1.00 94.79 37 A 1 ATOM 311 C CA . GLN A 0 37 . 13.663 2.224 -21.194 1.00 94.79 37 A 1 ATOM 312 C C . GLN A 0 37 . 15.138 2.605 -21.014 1.00 94.79 37 A 1 ATOM 313 C CB . GLN A 0 37 . 12.751 3.359 -20.709 1.00 94.79 37 A 1 ATOM 314 O O . GLN A 0 37 . 15.746 3.164 -21.920 1.00 94.79 37 A 1 ATOM 315 C CG . GLN A 0 37 . 11.295 3.160 -21.149 1.00 94.79 37 A 1 ATOM 316 C CD . GLN A 0 37 . 10.377 4.263 -20.634 1.00 94.79 37 A 1 ATOM 317 N NE2 . GLN A 0 37 . 9.197 3.929 -20.161 1.00 94.79 37 A 1 ATOM 318 O OE1 . GLN A 0 37 . 10.679 5.443 -20.643 1.00 94.79 37 A 1 ATOM 319 N N . PHE A 0 38 . 15.713 2.282 -19.857 1.00 93.74 38 A 1 ATOM 320 C CA . PHE A 0 38 . 17.055 2.667 -19.438 1.00 93.74 38 A 1 ATOM 321 C C . PHE A 0 38 . 17.800 1.445 -18.871 1.00 93.74 38 A 1 ATOM 322 C CB . PHE A 0 38 . 16.955 3.820 -18.426 1.00 93.74 38 A 1 ATOM 323 O O . PHE A 0 38 . 18.072 1.390 -17.669 1.00 93.74 38 A 1 ATOM 324 C CG . PHE A 0 38 . 16.128 5.000 -18.890 1.00 93.74 38 A 1 ATOM 325 C CD1 . PHE A 0 38 . 16.668 5.924 -19.802 1.00 93.74 38 A 1 ATOM 326 C CD2 . PHE A 0 38 . 14.808 5.159 -18.429 1.00 93.74 38 A 1 ATOM 327 C CE1 . PHE A 0 38 . 15.890 7.006 -20.250 1.00 93.74 38 A 1 ATOM 328 C CE2 . PHE A 0 38 . 14.026 6.233 -18.887 1.00 93.74 38 A 1 ATOM 329 C CZ . PHE A 0 38 . 14.569 7.158 -19.796 1.00 93.74 38 A 1 ATOM 330 N N . PRO A 0 39 . 18.147 0.451 -19.712 1.00 91.80 39 A 1 ATOM 331 C CA . PRO A 0 39 . 18.743 -0.812 -19.259 1.00 91.80 39 A 1 ATOM 332 C C . PRO A 0 39 . 20.111 -0.645 -18.582 1.00 91.80 39 A 1 ATOM 333 C CB . PRO A 0 39 . 18.835 -1.682 -20.518 1.00 91.80 39 A 1 ATOM 334 O O . PRO A 0 39 . 20.528 -1.507 -17.814 1.00 91.80 39 A 1 ATOM 335 C CG . PRO A 0 39 . 18.896 -0.669 -21.661 1.00 91.80 39 A 1 ATOM 336 C CD . PRO A 0 39 . 17.984 0.446 -21.161 1.00 91.80 39 A 1 ATOM 337 N N . ASN A 0 40 . 20.792 0.478 -18.827 1.00 90.91 40 A 1 ATOM 338 C CA . ASN A 0 40 . 22.092 0.797 -18.233 1.00 90.91 40 A 1 ATOM 339 C C . ASN A 0 40 . 21.982 1.417 -16.825 1.00 90.91 40 A 1 ATOM 340 C CB . ASN A 0 40 . 22.856 1.713 -19.206 1.00 90.91 40 A 1 ATOM 341 O O . ASN A 0 40 . 23.001 1.678 -16.186 1.00 90.91 40 A 1 ATOM 342 C CG . ASN A 0 40 . 23.130 1.072 -20.557 1.00 90.91 40 A 1 ATOM 343 N ND2 . ASN A 0 40 . 23.384 1.868 -21.567 1.00 90.91 40 A 1 ATOM 344 O OD1 . ASN A 0 40 . 23.107 -0.135 -20.730 1.00 90.91 40 A 1 ATOM 345 N N . VAL A 0 41 . 20.767 1.680 -16.330 1.00 91.06 41 A 1 ATOM 346 C CA . VAL A 0 41 . 20.536 2.282 -15.011 1.00 91.06 41 A 1 ATOM 347 C C . VAL A 0 41 . 20.219 1.192 -13.992 1.00 91.06 41 A 1 ATOM 348 C CB . VAL A 0 41 . 19.418 3.337 -15.061 1.00 91.06 41 A 1 ATOM 349 O O . VAL A 0 41 . 19.267 0.429 -14.146 1.00 91.06 41 A 1 ATOM 350 C CG1 . VAL A 0 41 . 19.213 3.987 -13.684 1.00 91.06 41 A 1 ATOM 351 C CG2 . VAL A 0 41 . 19.739 4.463 -16.050 1.00 91.06 41 A 1 ATOM 352 N N . ASN A 0 42 . 20.988 1.141 -12.904 1.00 87.68 42 A 1 ATOM 353 C CA . ASN A 0 42 . 20.747 0.185 -11.829 1.00 87.68 42 A 1 ATOM 354 C C . ASN A 0 42 . 19.820 0.754 -10.746 1.00 87.68 42 A 1 ATOM 355 C CB . ASN A 0 42 . 22.076 -0.313 -11.246 1.00 87.68 42 A 1 ATOM 356 O O . ASN A 0 42 . 20.288 1.258 -9.729 1.00 87.68 42 A 1 ATOM 357 C CG . ASN A 0 42 . 21.804 -1.370 -10.189 1.00 87.68 42 A 1 ATOM 358 N ND2 . ASN A 0 42 . 22.718 -1.599 -9.279 1.00 87.68 42 A 1 ATOM 359 O OD1 . ASN A 0 42 . 20.761 -2.004 -10.155 1.00 87.68 42 A 1 ATOM 360 N N . PHE A 0 43 . 18.509 0.603 -10.934 1.00 86.87 43 A 1 ATOM 361 C CA . PHE A 0 43 . 17.497 1.163 -10.034 1.00 86.87 43 A 1 ATOM 362 C C . PHE A 0 43 . 17.511 0.598 -8.602 1.00 86.87 43 A 1 ATOM 363 C CB . PHE A 0 43 . 16.120 1.000 -10.691 1.00 86.87 43 A 1 ATOM 364 O O . PHE A 0 43 . 16.928 1.226 -7.719 1.00 86.87 43 A 1 ATOM 365 C CG . PHE A 0 43 . 15.991 1.797 -11.972 1.00 86.87 43 A 1 ATOM 366 C CD1 . PHE A 0 43 . 15.793 3.186 -11.907 1.00 86.87 43 A 1 ATOM 367 C CD2 . PHE A 0 43 . 16.150 1.174 -13.222 1.00 86.87 43 A 1 ATOM 368 C CE1 . PHE A 0 43 . 15.736 3.946 -13.085 1.00 86.87 43 A 1 ATOM 369 C CE2 . PHE A 0 43 . 16.104 1.934 -14.401 1.00 86.87 43 A 1 ATOM 370 C CZ . PHE A 0 43 . 15.906 3.321 -14.331 1.00 86.87 43 A 1 ATOM 371 N N . TYR A 0 44 . 18.164 -0.544 -8.330 1.00 78.28 44 A 1 ATOM 372 C CA . TYR A 0 44 . 18.188 -1.167 -6.999 1.00 78.28 44 A 1 ATOM 373 C C . TYR A 0 44 . 19.541 -1.725 -6.564 1.00 78.28 44 A 1 ATOM 374 C CB . TYR A 0 44 . 17.184 -2.327 -6.925 1.00 78.28 44 A 1 ATOM 375 O O . TYR A 0 44 . 20.280 -2.349 -7.319 1.00 78.28 44 A 1 ATOM 376 C CG . TYR A 0 44 . 15.715 -1.993 -6.868 1.00 78.28 44 A 1 ATOM 377 C CD1 . TYR A 0 44 . 15.232 -0.782 -6.336 1.00 78.28 44 A 1 ATOM 378 C CD2 . TYR A 0 44 . 14.810 -2.981 -7.272 1.00 78.28 44 A 1 ATOM 379 C CE1 . TYR A 0 44 . 13.858 -0.501 -6.339 1.00 78.28 44 A 1 ATOM 380 C CE2 . TYR A 0 44 . 13.434 -2.733 -7.196 1.00 78.28 44 A 1 ATOM 381 O OH . TYR A 0 44 . 11.664 -1.195 -7.039 1.00 78.28 44 A 1 ATOM 382 C CZ . TYR A 0 44 . 12.968 -1.462 -6.841 1.00 78.28 44 A 1 ATOM 383 N N . SER A 0 45 . 19.765 -1.688 -5.249 1.00 77.57 45 A 1 ATOM 384 C CA . SER A 0 45 . 20.619 -2.692 -4.616 1.00 77.57 45 A 1 ATOM 385 C C . SER A 0 45 . 19.850 -4.004 -4.419 1.00 77.57 45 A 1 ATOM 386 C CB . SER A 0 45 . 21.208 -2.178 -3.301 1.00 77.57 45 A 1 ATOM 387 O O . SER A 0 45 . 18.639 -4.012 -4.178 1.00 77.57 45 A 1 ATOM 388 O OG . SER A 0 45 . 20.207 -1.999 -2.316 1.00 77.57 45 A 1 ATOM 389 N N . SER A 0 46 . 20.559 -5.133 -4.449 1.00 80.58 46 A 1 ATOM 390 C CA . SER A 0 46 . 20.001 -6.445 -4.091 1.00 80.58 46 A 1 ATOM 391 C C . SER A 0 46 . 19.298 -6.418 -2.726 1.00 80.58 46 A 1 ATOM 392 C CB . SER A 0 46 . 21.127 -7.485 -4.075 1.00 80.58 46 A 1 ATOM 393 O O . SER A 0 46 . 18.192 -6.939 -2.588 1.00 80.58 46 A 1 ATOM 394 O OG . SER A 0 46 . 22.184 -7.037 -3.243 1.00 80.58 46 A 1 ATOM 395 N N . LYS A 0 47 . 19.893 -5.720 -1.750 1.00 81.67 47 A 1 ATOM 396 C CA . LYS A 0 47 . 19.340 -5.514 -0.406 1.00 81.67 47 A 1 ATOM 397 C C . LYS A 0 47 . 17.961 -4.855 -0.441 1.00 81.67 47 A 1 ATOM 398 C CB . LYS A 0 47 . 20.345 -4.691 0.416 1.00 81.67 47 A 1 ATOM 399 O O . LYS A 0 47 . 17.043 -5.326 0.220 1.00 81.67 47 A 1 ATOM 400 C CG . LYS A 0 47 . 19.920 -4.560 1.886 1.00 81.67 47 A 1 ATOM 401 C CD . LYS A 0 47 . 20.993 -3.835 2.708 1.00 81.67 47 A 1 ATOM 402 C CE . LYS A 0 47 . 20.550 -3.747 4.173 1.00 81.67 47 A 1 ATOM 403 N NZ . LYS A 0 47 . 21.577 -3.095 5.025 1.00 81.67 47 A 1 ATOM 404 N N . TRP A 0 48 . 17.799 -3.805 -1.243 1.00 82.11 48 A 1 ATOM 405 C CA . TRP A 0 48 . 16.531 -3.088 -1.356 1.00 82.11 48 A 1 ATOM 406 C C . TRP A 0 48 . 15.411 -3.969 -1.925 1.00 82.11 48 A 1 ATOM 407 C CB . TRP A 0 48 . 16.759 -1.849 -2.216 1.00 82.11 48 A 1 ATOM 408 O O . TRP A 0 48 . 14.298 -3.981 -1.400 1.00 82.11 48 A 1 ATOM 409 C CG . TRP A 0 48 . 15.583 -0.944 -2.292 1.00 82.11 48 A 1 ATOM 410 C CD1 . TRP A 0 48 . 14.677 -0.927 -3.286 1.00 82.11 48 A 1 ATOM 411 C CD2 . TRP A 0 48 . 15.110 0.020 -1.308 1.00 82.11 48 A 1 ATOM 412 C CE2 . TRP A 0 48 . 13.943 0.654 -1.826 1.00 82.11 48 A 1 ATOM 413 C CE3 . TRP A 0 48 . 15.530 0.396 -0.015 1.00 82.11 48 A 1 ATOM 414 N NE1 . TRP A 0 48 . 13.776 0.092 -3.070 1.00 82.11 48 A 1 ATOM 415 C CH2 . TRP A 0 48 . 13.666 1.966 0.180 1.00 82.11 48 A 1 ATOM 416 C CZ2 . TRP A 0 48 . 13.224 1.615 -1.106 1.00 82.11 48 A 1 ATOM 417 C CZ3 . TRP A 0 48 . 14.814 1.358 0.721 1.00 82.11 48 A 1 ATOM 418 N N . LYS A 0 49 . 15.718 -4.773 -2.952 1.00 82.61 49 A 1 ATOM 419 C CA . LYS A 0 49 . 14.764 -5.731 -3.533 1.00 82.61 49 A 1 ATOM 420 C C . LYS A 0 49 . 14.300 -6.768 -2.505 1.00 82.61 49 A 1 ATOM 421 C CB . LYS A 0 49 . 15.406 -6.395 -4.760 1.00 82.61 49 A 1 ATOM 422 O O . LYS A 0 49 . 13.103 -7.043 -2.433 1.00 82.61 49 A 1 ATOM 423 C CG . LYS A 0 49 . 14.447 -7.355 -5.484 1.00 82.61 49 A 1 ATOM 424 C CD . LYS A 0 49 . 15.149 -8.002 -6.684 1.00 82.61 49 A 1 ATOM 425 C CE . LYS A 0 49 . 14.225 -9.003 -7.388 1.00 82.61 49 A 1 ATOM 426 N NZ . LYS A 0 49 . 14.907 -9.650 -8.539 1.00 82.61 49 A 1 ATOM 427 N N . THR A 0 50 . 15.226 -7.325 -1.723 1.00 88.52 50 A 1 ATOM 428 C CA . THR A 0 50 . 14.908 -8.306 -0.675 1.00 88.52 50 A 1 ATOM 429 C C . THR A 0 50 . 14.026 -7.691 0.406 1.00 88.52 50 A 1 ATOM 430 C CB . THR A 0 50 . 16.185 -8.897 -0.067 1.00 88.52 50 A 1 ATOM 431 O O . THR A 0 50 . 12.939 -8.208 0.654 1.00 88.52 50 A 1 ATOM 432 C CG2 . THR A 0 50 . 15.906 -9.942 1.008 1.00 88.52 50 A 1 ATOM 433 O OG1 . THR A 0 50 . 16.912 -9.550 -1.083 1.00 88.52 50 A 1 ATOM 434 N N . SER A 0 51 . 14.418 -6.540 0.964 1.00 88.31 51 A 1 ATOM 435 C CA . SER A 0 51 . 13.649 -5.878 2.025 1.00 88.31 51 A 1 ATOM 436 C C . SER A 0 51 . 12.228 -5.518 1.592 1.00 88.31 51 A 1 ATOM 437 C CB . SER A 0 51 . 14.362 -4.601 2.474 1.00 88.31 51 A 1 ATOM 438 O O . SER A 0 51 . 11.284 -5.645 2.369 1.00 88.31 51 A 1 ATOM 439 O OG . SER A 0 51 . 15.624 -4.916 3.028 1.00 88.31 51 A 1 ATOM 440 N N . LEU A 0 52 . 12.036 -5.089 0.343 1.00 84.69 52 A 1 ATOM 441 C CA . LEU A 0 52 . 10.696 -4.784 -0.145 1.00 84.69 52 A 1 ATOM 442 C C . LEU A 0 52 . 9.830 -6.037 -0.352 1.00 84.69 52 A 1 ATOM 443 C CB . LEU A 0 52 . 10.792 -3.975 -1.432 1.00 84.69 52 A 1 ATOM 444 O O . LEU A 0 52 . 8.633 -5.997 -0.062 1.00 84.69 52 A 1 ATOM 445 C CG . LEU A 0 52 . 11.247 -2.513 -1.316 1.00 84.69 52 A 1 ATOM 446 C CD1 . LEU A 0 52 . 11.311 -1.882 -2.707 1.00 84.69 52 A 1 ATOM 447 C CD2 . LEU A 0 52 . 10.251 -1.678 -0.508 1.00 84.69 52 A 1 ATOM 448 N N . LYS A 0 53 . 10.418 -7.153 -0.800 1.00 87.48 53 A 1 ATOM 449 C CA . LYS A 0 53 . 9.710 -8.436 -0.905 1.00 87.48 53 A 1 ATOM 450 C C . LYS A 0 53 . 9.270 -8.941 0.475 1.00 87.48 53 A 1 ATOM 451 C CB . LYS A 0 53 . 10.595 -9.455 -1.639 1.00 87.48 53 A 1 ATOM 452 O O . LYS A 0 53 . 8.103 -9.290 0.641 1.00 87.48 53 A 1 ATOM 453 C CG . LYS A 0 53 . 9.852 -10.782 -1.841 1.00 87.48 53 A 1 ATOM 454 C CD . LYS A 0 53 . 10.735 -11.849 -2.495 1.00 87.48 53 A 1 ATOM 455 C CE . LYS A 0 53 . 9.953 -13.164 -2.454 1.00 87.48 53 A 1 ATOM 456 N NZ . LYS A 0 53 . 10.771 -14.336 -2.836 1.00 87.48 53 A 1 ATOM 457 N N . GLU A 0 54 . 10.168 -8.917 1.457 1.00 92.51 54 A 1 ATOM 458 C CA . GLU A 0 54 . 9.875 -9.295 2.848 1.00 92.51 54 A 1 ATOM 459 C C . GLU A 0 54 . 8.762 -8.421 3.441 1.00 92.51 54 A 1 ATOM 460 C CB . GLU A 0 54 . 11.148 -9.142 3.693 1.00 92.51 54 A 1 ATOM 461 O O . GLU A 0 54 . 7.809 -8.929 4.032 1.00 92.51 54 A 1 ATOM 462 C CG . GLU A 0 54 . 12.207 -10.206 3.365 1.00 92.51 54 A 1 ATOM 463 C CD . GLU A 0 54 . 13.573 -9.926 4.014 1.00 92.51 54 A 1 ATOM 464 O OE1 . GLU A 0 54 . 14.430 -10.834 3.943 1.00 92.51 54 A 1 ATOM 465 O OE2 . GLU A 0 54 . 13.798 -8.789 4.495 1.00 92.51 54 A 1 ATOM 466 N N . ASN A 0 55 . 8.814 -7.106 3.206 1.00 91.40 55 A 1 ATOM 467 C CA . ASN A 0 55 . 7.765 -6.186 3.643 1.00 91.40 55 A 1 ATOM 468 C C . ASN A 0 55 . 6.405 -6.490 3.001 1.00 91.40 55 A 1 ATOM 469 C CB . ASN A 0 55 . 8.192 -4.743 3.331 1.00 91.40 55 A 1 ATOM 470 O O . ASN A 0 55 . 5.373 -6.348 3.662 1.00 91.40 55 A 1 ATOM 471 C CG . ASN A 0 55 . 9.170 -4.177 4.343 1.00 91.40 55 A 1 ATOM 472 N ND2 . ASN A 0 55 . 9.839 -3.100 4.009 1.00 91.40 55 A 1 ATOM 473 O OD1 . ASN A 0 55 . 9.298 -4.632 5.464 1.00 91.40 55 A 1 ATOM 474 N N . ALA A 0 56 . 6.372 -6.901 1.732 1.00 91.30 56 A 1 ATOM 475 C CA . ALA A 0 56 . 5.135 -7.286 1.058 1.00 91.30 56 A 1 ATOM 476 C C . ALA A 0 56 . 4.546 -8.584 1.635 1.00 91.30 56 A 1 ATOM 477 C CB . ALA A 0 56 . 5.414 -7.402 -0.441 1.00 91.30 56 A 1 ATOM 478 O O . ALA A 0 56 . 3.337 -8.667 1.857 1.00 91.30 56 A 1 ATOM 479 N N . GLU A 0 57 . 5.384 -9.579 1.930 1.00 93.00 57 A 1 ATOM 480 C CA . GLU A 0 57 . 4.967 -10.825 2.588 1.00 93.00 57 A 1 ATOM 481 C C . GLU A 0 57 . 4.446 -10.566 4.007 1.00 93.00 57 A 1 ATOM 482 C CB . GLU A 0 57 . 6.128 -11.832 2.581 1.00 93.00 57 A 1 ATOM 483 O O . GLU A 0 57 . 3.330 -10.972 4.335 1.00 93.00 57 A 1 ATOM 484 C CG . GLU A 0 57 . 6.346 -12.404 1.168 1.00 93.00 57 A 1 ATOM 485 C CD . GLU A 0 57 . 7.594 -13.293 1.028 1.00 93.00 57 A 1 ATOM 486 O OE1 . GLU A 0 57 . 7.902 -13.654 -0.138 1.00 93.00 57 A 1 ATOM 487 O OE2 . GLU A 0 57 . 8.240 -13.596 2.050 1.00 93.00 57 A 1 ATOM 488 N N . LEU A 0 58 . 5.174 -9.780 4.807 1.00 95.83 58 A 1 ATOM 489 C CA . LEU A 0 58 . 4.719 -9.338 6.126 1.00 95.83 58 A 1 ATOM 490 C C . LEU A 0 58 . 3.385 -8.587 6.039 1.00 95.83 58 A 1 ATOM 491 C CB . LEU A 0 58 . 5.813 -8.455 6.750 1.00 95.83 58 A 1 ATOM 492 O O . LEU A 0 58 . 2.485 -8.809 6.847 1.00 95.83 58 A 1 ATOM 493 C CG . LEU A 0 58 . 5.458 -7.902 8.143 1.00 95.83 58 A 1 ATOM 494 C CD1 . LEU A 0 58 . 5.265 -9.014 9.174 1.00 95.83 58 A 1 ATOM 495 C CD2 . LEU A 0 58 . 6.568 -6.970 8.625 1.00 95.83 58 A 1 ATOM 496 N N . SER A 0 59 . 3.223 -7.729 5.030 1.00 96.31 59 A 1 ATOM 497 C CA . SER A 0 59 . 1.981 -6.983 4.822 1.00 96.31 59 A 1 ATOM 498 C C . SER A 0 59 . 0.792 -7.913 4.562 1.00 96.31 59 A 1 ATOM 499 C CB . SER A 0 59 . 2.127 -5.993 3.666 1.00 96.31 59 A 1 ATOM 500 O O . SER A 0 59 . -0.289 -7.681 5.100 1.00 96.31 59 A 1 ATOM 501 O OG . SER A 0 59 . 3.107 -5.011 3.951 1.00 96.31 59 A 1 ATOM 502 N N . LYS A 0 60 . 0.970 -8.998 3.798 1.00 96.17 60 A 1 ATOM 503 C CA . LYS A 0 60 . -0.091 -9.999 3.588 1.00 96.17 60 A 1 ATOM 504 C C . LYS A 0 60 . -0.500 -10.674 4.897 1.00 96.17 60 A 1 ATOM 505 C CB . LYS A 0 60 . 0.359 -11.054 2.572 1.00 96.17 60 A 1 ATOM 506 O O . LYS A 0 60 . -1.697 -10.805 5.152 1.00 96.17 60 A 1 ATOM 507 C CG . LYS A 0 60 . 0.477 -10.493 1.149 1.00 96.17 60 A 1 ATOM 508 C CD . LYS A 0 60 . 1.097 -11.554 0.236 1.00 96.17 60 A 1 ATOM 509 C CE . LYS A 0 60 . 1.307 -10.994 -1.171 1.00 96.17 60 A 1 ATOM 510 N NZ . LYS A 0 60 . 1.969 -11.996 -2.041 1.00 96.17 60 A 1 ATOM 511 N N . ASN A 0 61 . 0.467 -11.033 5.741 1.00 96.94 61 A 1 ATOM 512 C CA . ASN A 0 61 . 0.193 -11.644 7.044 1.00 96.94 61 A 1 ATOM 513 C C . ASN A 0 61 . -0.576 -10.681 7.957 1.00 96.94 61 A 1 ATOM 514 C CB . ASN A 0 61 . 1.511 -12.120 7.675 1.00 96.94 61 A 1 ATOM 515 O O . ASN A 0 61 . -1.648 -11.027 8.451 1.00 96.94 61 A 1 ATOM 516 C CG . ASN A 0 61 . 2.150 -13.269 6.913 1.00 96.94 61 A 1 ATOM 517 N ND2 . ASN A 0 61 . 3.388 -13.585 7.210 1.00 96.94 61 A 1 ATOM 518 O OD1 . ASN A 0 61 . 1.556 -13.893 6.048 1.00 96.94 61 A 1 ATOM 519 N N . VAL A 0 62 . -0.117 -9.429 8.072 1.00 97.93 62 A 1 ATOM 520 C CA . VAL A 0 62 . -0.802 -8.393 8.864 1.00 97.93 62 A 1 ATOM 521 C C . VAL A 0 62 . -2.226 -8.145 8.354 1.00 97.93 62 A 1 ATOM 522 C CB . VAL A 0 62 . 0.013 -7.084 8.874 1.00 97.93 62 A 1 ATOM 523 O O . VAL A 0 62 . -3.147 -7.998 9.155 1.00 97.93 62 A 1 ATOM 524 C CG1 . VAL A 0 62 . -0.732 -5.934 9.571 1.00 97.93 62 A 1 ATOM 525 C CG2 . VAL A 0 62 . 1.343 -7.262 9.617 1.00 97.93 62 A 1 ATOM 526 N N . MET A 0 63 . -2.447 -8.124 7.035 1.00 97.64 63 A 1 ATOM 527 C CA . MET A 0 63 . -3.793 -7.991 6.460 1.00 97.64 63 A 1 ATOM 528 C C . MET A 0 63 . -4.707 -9.169 6.816 1.00 97.64 63 A 1 ATOM 529 C CB . MET A 0 63 . -3.721 -7.894 4.932 1.00 97.64 63 A 1 ATOM 530 O O . MET A 0 63 . -5.903 -8.959 7.014 1.00 97.64 63 A 1 ATOM 531 C CG . MET A 0 63 . -3.211 -6.544 4.429 1.00 97.64 63 A 1 ATOM 532 S SD . MET A 0 63 . -2.877 -6.515 2.646 1.00 97.64 63 A 1 ATOM 533 C CE . MET A 0 63 . -4.544 -6.794 1.996 1.00 97.64 63 A 1 ATOM 534 N N . SER A 0 64 . -4.168 -10.388 6.875 1.00 97.23 64 A 1 ATOM 535 C CA . SER A 0 64 . -4.919 -11.586 7.261 1.00 97.23 64 A 1 ATOM 536 C C . SER A 0 64 . -5.325 -11.529 8.738 1.00 97.23 64 A 1 ATOM 537 C CB . SER A 0 64 . -4.076 -12.832 6.975 1.00 97.23 64 A 1 ATOM 538 O O . SER A 0 64 . -6.508 -11.636 9.063 1.00 97.23 64 A 1 ATOM 539 O OG . SER A 0 64 . -4.867 -13.989 7.136 1.00 97.23 64 A 1 ATOM 540 N N . GLU A 0 65 . -4.363 -11.243 9.620 1.00 97.25 65 A 1 ATOM 541 C CA . GLU A 0 65 . -4.555 -11.135 11.075 1.00 97.25 65 A 1 ATOM 542 C C . GLU A 0 65 . -5.472 -9.977 11.484 1.00 97.25 65 A 1 ATOM 543 C CB . GLU A 0 65 . -3.192 -10.911 11.737 1.00 97.25 65 A 1 ATOM 544 O O . GLU A 0 65 . -6.114 -10.024 12.527 1.00 97.25 65 A 1 ATOM 545 C CG . GLU A 0 65 . -2.279 -12.142 11.673 1.00 97.25 65 A 1 ATOM 546 C CD . GLU A 0 65 . -0.873 -11.850 12.218 1.00 97.25 65 A 1 ATOM 547 O OE1 . GLU A 0 65 . -0.054 -12.793 12.199 1.00 97.25 65 A 1 ATOM 548 O OE2 . GLU A 0 65 . -0.611 -10.685 12.611 1.00 97.25 65 A 1 ATOM 549 N N . ASN A 0 66 . -5.556 -8.936 10.655 1.00 97.26 66 A 1 ATOM 550 C CA . ASN A 0 66 . -6.388 -7.756 10.889 1.00 97.26 66 A 1 ATOM 551 C C . ASN A 0 66 . -7.477 -7.640 9.814 1.00 97.26 66 A 1 ATOM 552 C CB . ASN A 0 66 . -5.501 -6.505 11.025 1.00 97.26 66 A 1 ATOM 553 O O . ASN A 0 66 . -7.839 -6.546 9.387 1.00 97.26 66 A 1 ATOM 554 C CG . ASN A 0 66 . -4.479 -6.624 12.144 1.00 97.26 66 A 1 ATOM 555 N ND2 . ASN A 0 66 . -3.343 -7.223 11.878 1.00 97.26 66 A 1 ATOM 556 O OD1 . ASN A 0 66 . -4.667 -6.154 13.255 1.00 97.26 66 A 1 ATOM 557 N N . SER A 0 67 . -7.967 -8.770 9.300 1.00 96.23 67 A 1 ATOM 558 C CA . SER A 0 67 . -8.961 -8.768 8.226 1.00 96.23 67 A 1 ATOM 559 C C . SER A 0 67 . -10.237 -8.018 8.623 1.00 96.23 67 A 1 ATOM 560 C CB . SER A 0 67 . -9.291 -10.194 7.781 1.00 96.23 67 A 1 ATOM 561 O O . SER A 0 67 . -10.575 -7.894 9.798 1.00 96.23 67 A 1 ATOM 562 O OG . SER A 0 67 . -9.997 -10.891 8.787 1.00 96.23 67 A 1 ATOM 563 N N . PHE A 0 68 . -11.012 -7.574 7.629 1.00 93.01 68 A 1 ATOM 564 C CA . PHE A 0 68 . -12.320 -6.946 7.859 1.00 93.01 68 A 1 ATOM 565 C C . PHE A 0 68 . -13.220 -7.812 8.745 1.00 93.01 68 A 1 ATOM 566 C CB . PHE A 0 68 . -13.021 -6.709 6.511 1.00 93.01 68 A 1 ATOM 567 O O . PHE A 0 68 . -13.891 -7.287 9.624 1.00 93.01 68 A 1 ATOM 568 C CG . PHE A 0 68 . -12.650 -5.419 5.809 1.00 93.01 68 A 1 ATOM 569 C CD1 . PHE A 0 68 . -13.660 -4.491 5.480 1.00 93.01 68 A 1 ATOM 570 C CD2 . PHE A 0 68 . -11.307 -5.105 5.528 1.00 93.01 68 A 1 ATOM 571 C CE1 . PHE A 0 68 . -13.332 -3.247 4.910 1.00 93.01 68 A 1 ATOM 572 C CE2 . PHE A 0 68 . -10.993 -3.855 4.973 1.00 93.01 68 A 1 ATOM 573 C CZ . PHE A 0 68 . -11.991 -2.926 4.662 1.00 93.01 68 A 1 ATOM 574 N N . LYS A 0 69 . -13.201 -9.135 8.537 1.00 93.74 69 A 1 ATOM 575 C CA . LYS A 0 69 . -13.961 -10.088 9.348 1.00 93.74 69 A 1 ATOM 576 C C . LYS A 0 69 . -13.554 -10.009 10.820 1.00 93.74 69 A 1 ATOM 577 C CB . LYS A 0 69 . -13.776 -11.502 8.776 1.00 93.74 69 A 1 ATOM 578 O O . LYS A 0 69 . -14.440 -9.950 11.657 1.00 93.74 69 A 1 ATOM 579 C CG . LYS A 0 69 . -14.648 -12.536 9.504 1.00 93.74 69 A 1 ATOM 580 C CD . LYS A 0 69 . -14.423 -13.945 8.941 1.00 93.74 69 A 1 ATOM 581 C CE . LYS A 0 69 . -15.270 -14.955 9.726 1.00 93.74 69 A 1 ATOM 582 N NZ . LYS A 0 69 . -15.046 -16.349 9.266 1.00 93.74 69 A 1 ATOM 583 N N . ILE A 0 70 . -12.251 -9.977 11.107 1.00 94.48 70 A 1 ATOM 584 C CA . ILE A 0 70 . -11.709 -9.889 12.471 1.00 94.48 70 A 1 ATOM 585 C C . ILE A 0 70 . -12.004 -8.518 13.081 1.00 94.48 70 A 1 ATOM 586 C CB . ILE A 0 70 . -10.197 -10.216 12.476 1.00 94.48 70 A 1 ATOM 587 O O . ILE A 0 70 . -12.558 -8.445 14.167 1.00 94.48 70 A 1 ATOM 588 C CG1 . ILE A 0 70 . -9.984 -11.701 12.099 1.00 94.48 70 A 1 ATOM 589 C CG2 . ILE A 0 70 . -9.561 -9.918 13.847 1.00 94.48 70 A 1 ATOM 590 C CD1 . ILE A 0 70 . -8.523 -12.064 11.815 1.00 94.48 70 A 1 ATOM 591 N N . CYS A 0 71 . -11.712 -7.417 12.383 1.00 93.92 71 A 1 ATOM 592 C CA . CYS A 0 71 . -11.965 -6.091 12.948 1.00 93.92 71 A 1 ATOM 593 C C . CYS A 0 71 . -13.459 -5.866 13.222 1.00 93.92 71 A 1 ATOM 594 C CB . CYS A 0 71 . -11.414 -4.991 12.036 1.00 93.92 71 A 1 ATOM 595 O O . CYS A 0 71 . -13.816 -5.313 14.255 1.00 93.92 71 A 1 ATOM 596 S SG . CYS A 0 71 . -9.659 -5.104 11.585 1.00 93.92 71 A 1 ATOM 597 N N . ASN A 0 72 . -14.348 -6.334 12.342 1.00 91.94 72 A 1 ATOM 598 C CA . ASN A 0 72 . -15.788 -6.156 12.514 1.00 91.94 72 A 1 ATOM 599 C C . ASN A 0 72 . -16.360 -6.909 13.723 1.00 91.94 72 A 1 ATOM 600 C CB . ASN A 0 72 . -16.525 -6.578 11.234 1.00 91.94 72 A 1 ATOM 601 O O . ASN A 0 72 . -17.439 -6.540 14.164 1.00 91.94 72 A 1 ATOM 602 C CG . ASN A 0 72 . -16.346 -5.636 10.057 1.00 91.94 72 A 1 ATOM 603 N ND2 . ASN A 0 72 . -16.795 -6.046 8.893 1.00 91.94 72 A 1 ATOM 604 O OD1 . ASN A 0 72 . -15.854 -4.523 10.134 1.00 91.94 72 A 1 ATOM 605 N N . THR A 0 73 . -15.681 -7.917 14.291 1.00 92.71 73 A 1 ATOM 606 C CA . THR A 0 73 . -16.160 -8.543 15.540 1.00 92.71 73 A 1 ATOM 607 C C . THR A 0 73 . -15.981 -7.638 16.756 1.00 92.71 73 A 1 ATOM 608 C CB . THR A 0 73 . -15.505 -9.900 15.843 1.00 92.71 73 A 1 ATOM 609 O O . THR A 0 73 . -16.545 -7.918 17.808 1.00 92.71 73 A 1 ATOM 610 C CG2 . THR A 0 73 . -15.603 -10.884 14.682 1.00 92.71 73 A 1 ATOM 611 O OG1 . THR A 0 73 . -14.138 -9.776 16.148 1.00 92.71 73 A 1 ATOM 612 N N . LEU A 0 74 . -15.181 -6.573 16.638 1.00 91.90 74 A 1 ATOM 613 C CA . LEU A 0 74 . -14.912 -5.651 17.736 1.00 91.90 74 A 1 ATOM 614 C C . LEU A 0 74 . -16.073 -4.671 17.923 1.00 91.90 74 A 1 ATOM 615 C CB . LEU A 0 74 . -13.562 -4.945 17.497 1.00 91.90 74 A 1 ATOM 616 O O . LEU A 0 74 . -16.414 -4.341 19.051 1.00 91.90 74 A 1 ATOM 617 C CG . LEU A 0 74 . -12.370 -5.920 17.376 1.00 91.90 74 A 1 ATOM 618 C CD1 . LEU A 0 74 . -11.118 -5.187 16.904 1.00 91.90 74 A 1 ATOM 619 C CD2 . LEU A 0 74 . -12.057 -6.599 18.709 1.00 91.90 74 A 1 ATOM 620 N N . ILE A 0 75 . -16.749 -4.252 16.856 1.00 88.05 75 A 1 ATOM 621 C CA . ILE A 0 75 . -17.864 -3.300 16.939 1.00 88.05 75 A 1 ATOM 622 C C . ILE A 0 75 . -19.209 -3.982 16.659 1.00 88.05 75 A 1 ATOM 623 C CB . ILE A 0 75 . -17.633 -2.086 16.026 1.00 88.05 75 A 1 ATOM 624 O O . ILE A 0 75 . -19.305 -4.789 15.741 1.00 88.05 75 A 1 ATOM 625 C CG1 . ILE A 0 75 . -17.320 -2.511 14.575 1.00 88.05 75 A 1 ATOM 626 C CG2 . ILE A 0 75 . -16.499 -1.228 16.618 1.00 88.05 75 A 1 ATOM 627 C CD1 . ILE A 0 75 . -17.555 -1.386 13.573 1.00 88.05 75 A 1 ATOM 628 N N . PRO A 0 76 . -20.281 -3.648 17.397 1.00 79.86 76 A 1 ATOM 629 C CA . PRO A 0 76 . -21.576 -4.290 17.188 1.00 79.86 76 A 1 ATOM 630 C C . PRO A 0 76 . -22.288 -3.804 15.914 1.00 79.86 76 A 1 ATOM 631 C CB . PRO A 0 76 . -22.363 -3.987 18.465 1.00 79.86 76 A 1 ATOM 632 O O . PRO A 0 76 . -23.063 -4.555 15.329 1.00 79.86 76 A 1 ATOM 633 C CG . PRO A 0 76 . -21.786 -2.653 18.942 1.00 79.86 76 A 1 ATOM 634 C CD . PRO A 0 76 . -20.316 -2.751 18.543 1.00 79.86 76 A 1 ATOM 635 N N . TYR A 0 77 . -22.026 -2.568 15.461 1.00 80.15 77 A 1 ATOM 636 C CA . TYR A 0 77 . -22.728 -1.952 14.329 1.00 80.15 77 A 1 ATOM 637 C C . TYR A 0 77 . -21.812 -1.034 13.510 1.00 80.15 77 A 1 ATOM 638 C CB . TYR A 0 77 . -23.941 -1.149 14.834 1.00 80.15 77 A 1 ATOM 639 O O . TYR A 0 77 . -21.010 -0.286 14.066 1.00 80.15 77 A 1 ATOM 640 C CG . TYR A 0 77 . -24.848 -1.897 15.794 1.00 80.15 77 A 1 ATOM 641 C CD1 . TYR A 0 77 . -25.684 -2.928 15.323 1.00 80.15 77 A 1 ATOM 642 C CD2 . TYR A 0 77 . -24.818 -1.594 17.170 1.00 80.15 77 A 1 ATOM 643 C CE1 . TYR A 0 77 . -26.467 -3.670 16.227 1.00 80.15 77 A 1 ATOM 644 C CE2 . TYR A 0 77 . -25.602 -2.333 18.077 1.00 80.15 77 A 1 ATOM 645 O OH . TYR A 0 77 . -27.170 -4.110 18.472 1.00 80.15 77 A 1 ATOM 646 C CZ . TYR A 0 77 . -26.422 -3.380 17.605 1.00 80.15 77 A 1 ATOM 647 N N . GLN A 0 78 . -21.983 -1.035 12.184 1.00 81.46 78 A 1 ATOM 648 C CA . GLN A 0 78 . -21.333 -0.079 11.279 1.00 81.46 78 A 1 ATOM 649 C C . GLN A 0 78 . -22.131 1.226 11.216 1.00 81.46 78 A 1 ATOM 650 C CB . GLN A 0 78 . -21.180 -0.678 9.876 1.00 81.46 78 A 1 ATOM 651 O O . GLN A 0 78 . -22.941 1.430 10.309 1.00 81.46 78 A 1 ATOM 652 C CG . GLN A 0 78 . -20.120 -1.780 9.799 1.00 81.46 78 A 1 ATOM 653 C CD . GLN A 0 78 . -19.926 -2.282 8.372 1.00 81.46 78 A 1 ATOM 654 N NE2 . GLN A 0 78 . -18.989 -3.178 8.155 1.00 81.46 78 A 1 ATOM 655 O OE1 . GLN A 0 78 . -20.595 -1.886 7.426 1.00 81.46 78 A 1 ATOM 656 N N . THR A 0 79 . -21.912 2.105 12.190 1.00 89.77 79 A 1 ATOM 657 C CA . THR A 0 79 . -22.492 3.453 12.172 1.00 89.77 79 A 1 ATOM 658 C C . THR A 0 79 . -21.844 4.323 11.089 1.00 89.77 79 A 1 ATOM 659 C CB . THR A 0 79 . -22.393 4.136 13.545 1.00 89.77 79 A 1 ATOM 660 O O . THR A 0 79 . -20.813 3.970 10.508 1.00 89.77 79 A 1 ATOM 661 C CG2 . THR A 0 79 . -22.997 3.285 14.663 1.00 89.77 79 A 1 ATOM 662 O OG1 . THR A 0 79 . -21.050 4.397 13.865 1.00 89.77 79 A 1 ATOM 663 N N . ILE A 0 80 . -22.445 5.484 10.816 1.00 92.23 80 A 1 ATOM 664 C CA . ILE A 0 80 . -21.858 6.492 9.922 1.00 92.23 80 A 1 ATOM 665 C C . ILE A 0 80 . -20.473 6.916 10.437 1.00 92.23 80 A 1 ATOM 666 C CB . ILE A 0 80 . -22.825 7.686 9.755 1.00 92.23 80 A 1 ATOM 667 O O . ILE A 0 80 . -19.529 6.946 9.653 1.00 92.23 80 A 1 ATOM 668 C CG1 . ILE A 0 80 . -24.104 7.216 9.019 1.00 92.23 80 A 1 ATOM 669 C CG2 . ILE A 0 80 . -22.152 8.843 8.995 1.00 92.23 80 A 1 ATOM 670 C CD1 . ILE A 0 80 . -25.222 8.264 8.963 1.00 92.23 80 A 1 ATOM 671 N N . ASP A 0 81 . -20.319 7.124 11.747 1.00 90.48 81 A 1 ATOM 672 C CA . ASP A 0 81 . -19.034 7.500 12.354 1.00 90.48 81 A 1 ATOM 673 C C . ASP A 0 81 . -17.945 6.449 12.111 1.00 90.48 81 A 1 ATOM 674 C CB . ASP A 0 81 . -19.201 7.704 13.866 1.00 90.48 81 A 1 ATOM 675 O O . ASP A 0 81 . -16.816 6.784 11.765 1.00 90.48 81 A 1 ATOM 676 C CG . ASP A 0 81 . -20.269 8.739 14.206 1.00 90.48 81 A 1 ATOM 677 O OD1 . ASP A 0 81 . -20.376 9.732 13.457 1.00 90.48 81 A 1 ATOM 678 O OD2 . ASP A 0 81 . -21.022 8.461 15.163 1.00 90.48 81 A 1 ATOM 679 N N . VAL A 0 82 . -18.288 5.160 12.218 1.00 91.15 82 A 1 ATOM 680 C CA . VAL A 0 82 . -17.363 4.057 11.910 1.00 91.15 82 A 1 ATOM 681 C C . VAL A 0 82 . -16.901 4.111 10.454 1.00 91.15 82 A 1 ATOM 682 C CB . VAL A 0 82 . -18.017 2.703 12.239 1.00 91.15 82 A 1 ATOM 683 O O . VAL A 0 82 . -15.716 3.919 10.178 1.00 91.15 82 A 1 ATOM 684 C CG1 . VAL A 0 82 . -17.226 1.507 11.701 1.00 91.15 82 A 1 ATOM 685 C CG2 . VAL A 0 82 . -18.158 2.517 13.756 1.00 91.15 82 A 1 ATOM 686 N N . ARG A 0 83 . -17.812 4.395 9.517 1.00 92.11 83 A 1 ATOM 687 C CA . ARG A 0 83 . -17.473 4.516 8.092 1.00 92.11 83 A 1 ATOM 688 C C . ARG A 0 83 . -16.566 5.717 7.831 1.00 92.11 83 A 1 ATOM 689 C CB . ARG A 0 83 . -18.743 4.607 7.241 1.00 92.11 83 A 1 ATOM 690 O O . ARG A 0 83 . -15.565 5.562 7.139 1.00 92.11 83 A 1 ATOM 691 C CG . ARG A 0 83 . -19.545 3.301 7.255 1.00 92.11 83 A 1 ATOM 692 C CD . ARG A 0 83 . -20.822 3.486 6.434 1.00 92.11 83 A 1 ATOM 693 N NE . ARG A 0 83 . -21.625 2.252 6.407 1.00 92.11 83 A 1 ATOM 694 N NH1 . ARG A 0 83 . -23.355 3.064 5.139 1.00 92.11 83 A 1 ATOM 695 N NH2 . ARG A 0 83 . -23.405 0.948 5.866 1.00 92.11 83 A 1 ATOM 696 C CZ . ARG A 0 83 . -22.789 2.095 5.806 1.00 92.11 83 A 1 ATOM 697 N N . LEU A 0 84 . -16.868 6.868 8.430 1.00 94.78 84 A 1 ATOM 698 C CA . LEU A 0 84 . -16.033 8.069 8.322 1.00 94.78 84 A 1 ATOM 699 C C . LEU A 0 84 . -14.630 7.838 8.901 1.00 94.78 84 A 1 ATOM 700 C CB . LEU A 0 84 . -16.733 9.241 9.033 1.00 94.78 84 A 1 ATOM 701 O O . LEU A 0 84 . -13.634 8.248 8.307 1.00 94.78 84 A 1 ATOM 702 C CG . LEU A 0 84 . -17.999 9.759 8.326 1.00 94.78 84 A 1 ATOM 703 C CD1 . LEU A 0 84 . -18.673 10.815 9.202 1.00 94.78 84 A 1 ATOM 704 C CD2 . LEU A 0 84 . -17.689 10.394 6.969 1.00 94.78 84 A 1 ATOM 705 N N . MET A 0 85 . -14.519 7.114 10.018 1.00 92.95 85 A 1 ATOM 706 C CA . MET A 0 85 . -13.218 6.717 10.565 1.00 92.95 85 A 1 ATOM 707 C C . MET A 0 85 . -12.440 5.805 9.612 1.00 92.95 85 A 1 ATOM 708 C CB . MET A 0 85 . -13.389 6.014 11.912 1.00 92.95 85 A 1 ATOM 709 O O . MET A 0 85 . -11.251 6.034 9.387 1.00 92.95 85 A 1 ATOM 710 C CG . MET A 0 85 . -13.751 6.991 13.030 1.00 92.95 85 A 1 ATOM 711 S SD . MET A 0 85 . -13.666 6.256 14.679 1.00 92.95 85 A 1 ATOM 712 C CE . MET A 0 85 . -14.935 4.983 14.532 1.00 92.95 85 A 1 ATOM 713 N N . ASP A 0 86 . -13.088 4.798 9.019 1.00 94.53 86 A 1 ATOM 714 C CA . ASP A 0 86 . -12.450 3.926 8.028 1.00 94.53 86 A 1 ATOM 715 C C . ASP A 0 86 . -11.953 4.721 6.809 1.00 94.53 86 A 1 ATOM 716 C CB . ASP A 0 86 . -13.425 2.837 7.553 1.00 94.53 86 A 1 ATOM 717 O O . ASP A 0 86 . -10.863 4.453 6.294 1.00 94.53 86 A 1 ATOM 718 C CG . ASP A 0 86 . -13.662 1.700 8.545 1.00 94.53 86 A 1 ATOM 719 O OD1 . ASP A 0 86 . -12.840 1.462 9.454 1.00 94.53 86 A 1 ATOM 720 O OD2 . ASP A 0 86 . -14.589 0.894 8.309 1.00 94.53 86 A 1 ATOM 721 N N . GLU A 0 87 . -12.723 5.712 6.354 1.00 96.09 87 A 1 ATOM 722 C CA . GLU A 0 87 . -12.344 6.611 5.263 1.00 96.09 87 A 1 ATOM 723 C C . GLU A 0 87 . -11.129 7.468 5.623 1.00 96.09 87 A 1 ATOM 724 C CB . GLU A 0 87 . -13.531 7.492 4.852 1.00 96.09 87 A 1 ATOM 725 O O . GLU A 0 87 . -10.172 7.508 4.845 1.00 96.09 87 A 1 ATOM 726 C CG . GLU A 0 87 . -14.565 6.681 4.059 1.00 96.09 87 A 1 ATOM 727 C CD . GLU A 0 87 . -15.810 7.487 3.666 1.00 96.09 87 A 1 ATOM 728 O OE1 . GLU A 0 87 . -16.630 6.895 2.927 1.00 96.09 87 A 1 ATOM 729 O OE2 . GLU A 0 87 . -15.918 8.666 4.063 1.00 96.09 87 A 1 ATOM 730 N N . HIS A 0 88 . -11.105 8.071 6.815 1.00 96.52 88 A 1 ATOM 731 C CA . HIS A 0 88 . -9.951 8.828 7.307 1.00 96.52 88 A 1 ATOM 732 C C . HIS A 0 88 . -8.695 7.954 7.413 1.00 96.52 88 A 1 ATOM 733 C CB . HIS A 0 88 . -10.283 9.455 8.668 1.00 96.52 88 A 1 ATOM 734 O O . HIS A 0 88 . -7.626 8.338 6.936 1.00 96.52 88 A 1 ATOM 735 C CG . HIS A 0 88 . -11.225 10.634 8.626 1.00 96.52 88 A 1 ATOM 736 C CD2 . HIS A 0 88 . -11.720 11.279 7.521 1.00 96.52 88 A 1 ATOM 737 N ND1 . HIS A 0 88 . -11.699 11.309 9.728 1.00 96.52 88 A 1 ATOM 738 C CE1 . HIS A 0 88 . -12.455 12.333 9.299 1.00 96.52 88 A 1 ATOM 739 N NE2 . HIS A 0 88 . -12.486 12.360 7.961 1.00 96.52 88 A 1 ATOM 740 N N . ILE A 0 89 . -8.809 6.740 7.960 1.00 96.05 89 A 1 ATOM 741 C CA . ILE A 0 89 . -7.690 5.790 8.040 1.00 96.05 89 A 1 ATOM 742 C C . ILE A 0 89 . -7.191 5.433 6.631 1.00 96.05 89 A 1 ATOM 743 C CB . ILE A 0 89 . -8.119 4.535 8.837 1.00 96.05 89 A 1 ATOM 744 O O . ILE A 0 89 . -5.988 5.475 6.350 1.00 96.05 89 A 1 ATOM 745 C CG1 . ILE A 0 89 . -8.358 4.870 10.328 1.00 96.05 89 A 1 ATOM 746 C CG2 . ILE A 0 89 . -7.039 3.444 8.750 1.00 96.05 89 A 1 ATOM 747 C CD1 . ILE A 0 89 . -9.083 3.755 11.097 1.00 96.05 89 A 1 ATOM 748 N N . LYS A 0 90 . -8.109 5.099 5.717 1.00 95.51 90 A 1 ATOM 749 C CA . LYS A 0 90 . -7.794 4.747 4.326 1.00 95.51 90 A 1 ATOM 750 C C . LYS A 0 90 . -7.112 5.897 3.583 1.00 95.51 90 A 1 ATOM 751 C CB . LYS A 0 90 . -9.100 4.333 3.632 1.00 95.51 90 A 1 ATOM 752 O O . LYS A 0 90 . -6.234 5.623 2.755 1.00 95.51 90 A 1 ATOM 753 C CG . LYS A 0 90 . -8.929 3.985 2.145 1.00 95.51 90 A 1 ATOM 754 C CD . LYS A 0 90 . -10.298 3.713 1.516 1.00 95.51 90 A 1 ATOM 755 C CE . LYS A 0 90 . -10.188 3.536 -0.003 1.00 95.51 90 A 1 ATOM 756 N NZ . LYS A 0 90 . -11.535 3.540 -0.629 1.00 95.51 90 A 1 ATOM 757 N N . MET A 0 91 . -7.530 7.134 3.846 1.00 96.78 91 A 1 ATOM 758 C CA . MET A 0 91 . -6.974 8.353 3.265 1.00 96.78 91 A 1 ATOM 759 C C . MET A 0 91 . -5.564 8.620 3.799 1.00 96.78 91 A 1 ATOM 760 C CB . MET A 0 91 . -7.931 9.520 3.544 1.00 96.78 91 A 1 ATOM 761 O O . MET A 0 91 . -4.641 8.758 3.002 1.00 96.78 91 A 1 ATOM 762 C CG . MET A 0 91 . -7.504 10.785 2.799 1.00 96.78 91 A 1 ATOM 763 S SD . MET A 0 91 . -8.509 12.249 3.156 1.00 96.78 91 A 1 ATOM 764 C CE . MET A 0 91 . -10.121 11.747 2.496 1.00 96.78 91 A 1 ATOM 765 N N . ASN A 0 92 . -5.363 8.552 5.119 1.00 95.94 92 A 1 ATOM 766 C CA . ASN A 0 92 . -4.056 8.746 5.754 1.00 95.94 92 A 1 ATOM 767 C C . ASN A 0 92 . -2.992 7.798 5.189 1.00 95.94 92 A 1 ATOM 768 C CB . ASN A 0 92 . -4.207 8.555 7.276 1.00 95.94 92 A 1 ATOM 769 O O . ASN A 0 92 . -1.916 8.226 4.769 1.00 95.94 92 A 1 ATOM 770 C CG . ASN A 0 92 . -4.902 9.724 7.952 1.00 95.94 92 A 1 ATOM 771 N ND2 . ASN A 0 92 . -5.286 9.579 9.198 1.00 95.94 92 A 1 ATOM 772 O OD1 . ASN A 0 92 . -5.075 10.788 7.391 1.00 95.94 92 A 1 ATOM 773 N N . PHE A 0 93 . -3.297 6.500 5.101 1.00 96.69 93 A 1 ATOM 774 C CA . PHE A 0 93 . -2.360 5.548 4.499 1.00 96.69 93 A 1 ATOM 775 C C . PHE A 0 93 . -2.287 5.662 2.966 1.00 96.69 93 A 1 ATOM 776 C CB . PHE A 0 93 . -2.677 4.125 4.974 1.00 96.69 93 A 1 ATOM 777 O O . PHE A 0 93 . -1.302 5.226 2.370 1.00 96.69 93 A 1 ATOM 778 C CG . PHE A 0 93 . -2.447 3.907 6.452 1.00 96.69 93 A 1 ATOM 779 C CD1 . PHE A 0 93 . -1.146 4.029 6.973 1.00 96.69 93 A 1 ATOM 780 C CD2 . PHE A 0 93 . -3.514 3.586 7.308 1.00 96.69 93 A 1 ATOM 781 C CE1 . PHE A 0 93 . -0.918 3.888 8.351 1.00 96.69 93 A 1 ATOM 782 C CE2 . PHE A 0 93 . -3.279 3.420 8.683 1.00 96.69 93 A 1 ATOM 783 C CZ . PHE A 0 93 . -1.988 3.585 9.208 1.00 96.69 93 A 1 ATOM 784 N N . GLY A 0 94 . -3.304 6.244 2.323 1.00 94.92 94 A 1 ATOM 785 C CA . GLY A 0 94 . -3.269 6.623 0.910 1.00 94.92 94 A 1 ATOM 786 C C . GLY A 0 94 . -2.193 7.674 0.633 1.00 94.92 94 A 1 ATOM 787 O O . GLY A 0 94 . -1.325 7.433 -0.202 1.00 94.92 94 A 1 ATOM 788 N N . PHE A 0 95 . -2.171 8.759 1.411 1.00 95.49 95 A 1 ATOM 789 C CA . PHE A 0 95 . -1.142 9.797 1.304 1.00 95.49 95 A 1 ATOM 790 C C . PHE A 0 95 . 0.270 9.252 1.541 1.00 95.49 95 A 1 ATOM 791 C CB . PHE A 0 95 . -1.444 10.925 2.299 1.00 95.49 95 A 1 ATOM 792 O O . PHE A 0 95 . 1.197 9.591 0.811 1.00 95.49 95 A 1 ATOM 793 C CG . PHE A 0 95 . -2.660 11.763 1.957 1.00 95.49 95 A 1 ATOM 794 C CD1 . PHE A 0 95 . -2.761 12.366 0.687 1.00 95.49 95 A 1 ATOM 795 C CD2 . PHE A 0 95 . -3.662 11.995 2.919 1.00 95.49 95 A 1 ATOM 796 C CE1 . PHE A 0 95 . -3.862 13.180 0.377 1.00 95.49 95 A 1 ATOM 797 C CE2 . PHE A 0 95 . -4.750 12.831 2.613 1.00 95.49 95 A 1 ATOM 798 C CZ . PHE A 0 95 . -4.858 13.413 1.339 1.00 95.49 95 A 1 ATOM 799 N N . ILE A 0 96 . 0.441 8.341 2.506 1.00 93.73 96 A 1 ATOM 800 C CA . ILE A 0 96 . 1.741 7.694 2.756 1.00 93.73 96 A 1 ATOM 801 C C . ILE A 0 96 . 2.206 6.883 1.536 1.00 93.73 96 A 1 ATOM 802 C CB . ILE A 0 96 . 1.671 6.831 4.037 1.00 93.73 96 A 1 ATOM 803 O O . ILE A 0 96 . 3.378 6.945 1.163 1.00 93.73 96 A 1 ATOM 804 C CG1 . ILE A 0 96 . 1.507 7.746 5.274 1.00 93.73 96 A 1 ATOM 805 C CG2 . ILE A 0 96 . 2.930 5.954 4.191 1.00 93.73 96 A 1 ATOM 806 C CD1 . ILE A 0 96 . 1.116 7.011 6.562 1.00 93.73 96 A 1 ATOM 807 N N . LYS A 0 97 . 1.302 6.136 0.887 1.00 94.44 97 A 1 ATOM 808 C CA . LYS A 0 97 . 1.619 5.404 -0.350 1.00 94.44 97 A 1 ATOM 809 C C . LYS A 0 97 . 2.053 6.357 -1.462 1.00 94.44 97 A 1 ATOM 810 C CB . LYS A 0 97 . 0.416 4.542 -0.770 1.00 94.44 97 A 1 ATOM 811 O O . LYS A 0 97 . 3.040 6.075 -2.143 1.00 94.44 97 A 1 ATOM 812 C CG . LYS A 0 97 . 0.520 4.029 -2.217 1.00 94.44 97 A 1 ATOM 813 C CD . LYS A 0 97 . -0.696 3.189 -2.596 1.00 94.44 97 A 1 ATOM 814 C CE . LYS A 0 97 . -0.537 2.721 -4.044 1.00 94.44 97 A 1 ATOM 815 N NZ . LYS A 0 97 . -1.819 2.205 -4.572 1.00 94.44 97 A 1 ATOM 816 N N . GLU A 0 98 . 1.326 7.451 -1.663 1.00 95.71 98 A 1 ATOM 817 C CA . GLU A 0 98 . 1.640 8.442 -2.697 1.00 95.71 98 A 1 ATOM 818 C C . GLU A 0 98 . 2.998 9.091 -2.448 1.00 95.71 98 A 1 ATOM 819 C CB . GLU A 0 98 . 0.545 9.509 -2.753 1.00 95.71 98 A 1 ATOM 820 O O . GLU A 0 98 . 3.829 9.127 -3.355 1.00 95.71 98 A 1 ATOM 821 C CG . GLU A 0 98 . -0.734 8.946 -3.385 1.00 95.71 98 A 1 ATOM 822 C CD . GLU A 0 98 . -1.894 9.948 -3.391 1.00 95.71 98 A 1 ATOM 823 O OE1 . GLU A 0 98 . -2.969 9.533 -3.880 1.00 95.71 98 A 1 ATOM 824 O OE2 . GLU A 0 98 . -1.714 11.079 -2.888 1.00 95.71 98 A 1 ATOM 825 N N . PHE A 0 99 . 3.267 9.500 -1.207 1.00 95.31 99 A 1 ATOM 826 C CA . PHE A 0 99 . 4.546 10.075 -0.805 1.00 95.31 99 A 1 ATOM 827 C C . PHE A 0 99 . 5.714 9.114 -1.066 1.00 95.31 99 A 1 ATOM 828 C CB . PHE A 0 99 . 4.466 10.463 0.675 1.00 95.31 99 A 1 ATOM 829 O O . PHE A 0 99 . 6.679 9.473 -1.741 1.00 95.31 99 A 1 ATOM 830 C CG . PHE A 0 99 . 5.726 11.140 1.165 1.00 95.31 99 A 1 ATOM 831 C CD1 . PHE A 0 99 . 6.740 10.390 1.793 1.00 95.31 99 A 1 ATOM 832 C CD2 . PHE A 0 99 . 5.906 12.517 0.945 1.00 95.31 99 A 1 ATOM 833 C CE1 . PHE A 0 99 . 7.928 11.022 2.202 1.00 95.31 99 A 1 ATOM 834 C CE2 . PHE A 0 99 . 7.093 13.147 1.356 1.00 95.31 99 A 1 ATOM 835 C CZ . PHE A 0 99 . 8.104 12.400 1.984 1.00 95.31 99 A 1 ATOM 836 N N . ASN A 0 100 . 5.604 7.864 -0.605 1.00 92.06 100 A 1 ATOM 837 C CA . ASN A 0 100 . 6.645 6.852 -0.800 1.00 92.06 100 A 1 ATOM 838 C C . ASN A 0 100 . 6.878 6.545 -2.286 1.00 92.06 100 A 1 ATOM 839 C CB . ASN A 0 100 . 6.238 5.576 -0.048 1.00 92.06 100 A 1 ATOM 840 O O . ASN A 0 100 . 8.018 6.428 -2.733 1.00 92.06 100 A 1 ATOM 841 C CG . ASN A 0 100 . 6.322 5.707 1.460 1.00 92.06 100 A 1 ATOM 842 N ND2 . ASN A 0 100 . 5.674 4.822 2.181 1.00 92.06 100 A 1 ATOM 843 O OD1 . ASN A 0 100 . 6.986 6.560 2.020 1.00 92.06 100 A 1 ATOM 844 N N . THR A 0 101 . 5.800 6.441 -3.065 1.00 94.25 101 A 1 ATOM 845 C CA . THR A 0 101 . 5.885 6.206 -4.512 1.00 94.25 101 A 1 ATOM 846 C C . THR A 0 101 . 6.536 7.391 -5.227 1.00 94.25 101 A 1 ATOM 847 C CB . THR A 0 101 . 4.496 5.943 -5.107 1.00 94.25 101 A 1 ATOM 848 O O . THR A 0 101 . 7.388 7.196 -6.093 1.00 94.25 101 A 1 ATOM 849 C CG2 . THR A 0 101 . 4.572 5.585 -6.589 1.00 94.25 101 A 1 ATOM 850 O OG1 . THR A 0 101 . 3.874 4.866 -4.440 1.00 94.25 101 A 1 ATOM 851 N N . GLY A 0 102 . 6.170 8.618 -4.847 1.00 95.46 102 A 1 ATOM 852 C CA . GLY A 0 102 . 6.741 9.850 -5.382 1.00 95.46 102 A 1 ATOM 853 C C . GLY A 0 102 . 8.236 9.964 -5.101 1.00 95.46 102 A 1 ATOM 854 O O . GLY A 0 102 . 9.005 10.266 -6.014 1.00 95.46 102 A 1 ATOM 855 N N . PHE A 0 103 . 8.659 9.634 -3.879 1.00 94.56 103 A 1 ATOM 856 C CA . PHE A 0 103 . 10.070 9.614 -3.498 1.00 94.56 103 A 1 ATOM 857 C C . PHE A 0 103 . 10.878 8.626 -4.348 1.00 94.56 103 A 1 ATOM 858 C CB . PHE A 0 103 . 10.187 9.282 -2.006 1.00 94.56 103 A 1 ATOM 859 O O . PHE A 0 103 . 11.905 8.994 -4.915 1.00 94.56 103 A 1 ATOM 860 C CG . PHE A 0 103 . 11.623 9.288 -1.524 1.00 94.56 103 A 1 ATOM 861 C CD1 . PHE A 0 103 . 12.359 8.089 -1.460 1.00 94.56 103 A 1 ATOM 862 C CD2 . PHE A 0 103 . 12.243 10.508 -1.198 1.00 94.56 103 A 1 ATOM 863 C CE1 . PHE A 0 103 . 13.710 8.112 -1.071 1.00 94.56 103 A 1 ATOM 864 C CE2 . PHE A 0 103 . 13.593 10.530 -0.805 1.00 94.56 103 A 1 ATOM 865 C CZ . PHE A 0 103 . 14.326 9.333 -0.744 1.00 94.56 103 A 1 ATOM 866 N N . VAL A 0 104 . 10.390 7.392 -4.510 1.00 93.13 104 A 1 ATOM 867 C CA . VAL A 0 104 . 11.073 6.383 -5.337 1.00 93.13 104 A 1 ATOM 868 C C . VAL A 0 104 . 11.114 6.795 -6.806 1.00 93.13 104 A 1 ATOM 869 C CB . VAL A 0 104 . 10.417 5.004 -5.163 1.00 93.13 104 A 1 ATOM 870 O O . VAL A 0 104 . 12.137 6.627 -7.465 1.00 93.13 104 A 1 ATOM 871 C CG1 . VAL A 0 104 . 10.971 3.960 -6.140 1.00 93.13 104 A 1 ATOM 872 C CG2 . VAL A 0 104 . 10.690 4.497 -3.741 1.00 93.13 104 A 1 ATOM 873 N N . LYS A 0 105 . 10.036 7.389 -7.327 1.00 94.85 105 A 1 ATOM 874 C CA . LYS A 0 105 . 10.024 7.921 -8.692 1.00 94.85 105 A 1 ATOM 875 C C . LYS A 0 105 . 11.079 9.007 -8.884 1.00 94.85 105 A 1 ATOM 876 C CB . LYS A 0 105 . 8.615 8.425 -9.034 1.00 94.85 105 A 1 ATOM 877 O O . LYS A 0 105 . 11.773 8.988 -9.897 1.00 94.85 105 A 1 ATOM 878 C CG . LYS A 0 105 . 8.523 8.891 -10.494 1.00 94.85 105 A 1 ATOM 879 C CD . LYS A 0 105 . 7.119 9.402 -10.826 1.00 94.85 105 A 1 ATOM 880 C CE . LYS A 0 105 . 7.084 9.873 -12.284 1.00 94.85 105 A 1 ATOM 881 N NZ . LYS A 0 105 . 5.761 10.436 -12.650 1.00 94.85 105 A 1 ATOM 882 N N . TYR A 0 106 . 11.193 9.935 -7.938 1.00 95.60 106 A 1 ATOM 883 C CA . TYR A 0 106 . 12.211 10.980 -7.970 1.00 95.60 106 A 1 ATOM 884 C C . TYR A 0 106 . 13.627 10.391 -7.939 1.00 95.60 106 A 1 ATOM 885 C CB . TYR A 0 106 . 11.982 11.941 -6.798 1.00 95.60 106 A 1 ATOM 886 O O . TYR A 0 106 . 14.457 10.761 -8.768 1.00 95.60 106 A 1 ATOM 887 C CG . TYR A 0 106 . 13.078 12.975 -6.667 1.00 95.60 106 A 1 ATOM 888 C CD1 . TYR A 0 106 . 14.157 12.748 -5.790 1.00 95.60 106 A 1 ATOM 889 C CD2 . TYR A 0 106 . 13.045 14.135 -7.463 1.00 95.60 106 A 1 ATOM 890 C CE1 . TYR A 0 106 . 15.203 13.685 -5.702 1.00 95.60 106 A 1 ATOM 891 C CE2 . TYR A 0 106 . 14.090 15.074 -7.378 1.00 95.60 106 A 1 ATOM 892 O OH . TYR A 0 106 . 16.172 15.761 -6.420 1.00 95.60 106 A 1 ATOM 893 C CZ . TYR A 0 106 . 15.168 14.851 -6.498 1.00 95.60 106 A 1 ATOM 894 N N . ASP A 0 107 . 13.883 9.437 -7.042 1.00 93.91 107 A 1 ATOM 895 C CA . ASP A 0 107 . 15.183 8.771 -6.938 1.00 93.91 107 A 1 ATOM 896 C C . ASP A 0 107 . 15.563 8.066 -8.249 1.00 93.91 107 A 1 ATOM 897 C CB . ASP A 0 107 . 15.159 7.792 -5.759 1.00 93.91 107 A 1 ATOM 898 O O . ASP A 0 107 . 16.639 8.303 -8.798 1.00 93.91 107 A 1 ATOM 899 C CG . ASP A 0 107 . 16.521 7.118 -5.609 1.00 93.91 107 A 1 ATOM 900 O OD1 . ASP A 0 107 . 17.489 7.827 -5.261 1.00 93.91 107 A 1 ATOM 901 O OD2 . ASP A 0 107 . 16.602 5.905 -5.903 1.00 93.91 107 A 1 ATOM 902 N N . PHE A 0 108 . 14.643 7.294 -8.828 1.00 94.75 108 A 1 ATOM 903 C CA . PHE A 0 108 . 14.862 6.628 -10.111 1.00 94.75 108 A 1 ATOM 904 C C . PHE A 0 108 . 15.166 7.609 -11.246 1.00 94.75 108 A 1 ATOM 905 C CB . PHE A 0 108 . 13.622 5.805 -10.460 1.00 94.75 108 A 1 ATOM 906 O O . PHE A 0 108 . 16.094 7.383 -12.021 1.00 94.75 108 A 1 ATOM 907 C CG . PHE A 0 108 . 13.376 4.537 -9.664 1.00 94.75 108 A 1 ATOM 908 C CD1 . PHE A 0 108 . 14.263 4.083 -8.663 1.00 94.75 108 A 1 ATOM 909 C CD2 . PHE A 0 108 . 12.241 3.773 -9.984 1.00 94.75 108 A 1 ATOM 910 C CE1 . PHE A 0 108 . 14.030 2.855 -8.027 1.00 94.75 108 A 1 ATOM 911 C CE2 . PHE A 0 108 . 12.004 2.549 -9.346 1.00 94.75 108 A 1 ATOM 912 C CZ . PHE A 0 108 . 12.911 2.085 -8.385 1.00 94.75 108 A 1 ATOM 913 N N . LEU A 0 109 . 14.425 8.716 -11.338 1.00 95.08 109 A 1 ATOM 914 C CA . LEU A 0 109 . 14.689 9.755 -12.337 1.00 95.08 109 A 1 ATOM 915 C C . LEU A 0 109 . 16.058 10.414 -12.124 1.00 95.08 109 A 1 ATOM 916 C CB . LEU A 0 109 . 13.558 10.795 -12.313 1.00 95.08 109 A 1 ATOM 917 O O . LEU A 0 109 . 16.768 10.666 -13.094 1.00 95.08 109 A 1 ATOM 918 C CG . LEU A 0 109 . 12.219 10.286 -12.878 1.00 95.08 109 A 1 ATOM 919 C CD1 . LEU A 0 109 . 11.128 11.327 -12.611 1.00 95.08 109 A 1 ATOM 920 C CD2 . LEU A 0 109 . 12.273 10.031 -14.385 1.00 95.08 109 A 1 ATOM 921 N N . SER A 0 110 . 16.474 10.635 -10.874 1.00 94.94 110 A 1 ATOM 922 C CA . SER A 0 110 . 17.814 11.150 -10.565 1.00 94.94 110 A 1 ATOM 923 C C . SER A 0 110 . 18.915 10.189 -11.022 1.00 94.94 110 A 1 ATOM 924 C CB . SER A 0 110 . 17.947 11.410 -9.061 1.00 94.94 110 A 1 ATOM 925 O O . SER A 0 110 . 19.927 10.623 -11.573 1.00 94.94 110 A 1 ATOM 926 O OG . SER A 0 110 . 19.177 12.067 -8.791 1.00 94.94 110 A 1 ATOM 927 N N . GLN A 0 111 . 18.720 8.881 -10.838 1.00 93.34 111 A 1 ATOM 928 C CA . GLN A 0 111 . 19.659 7.867 -11.317 1.00 93.34 111 A 1 ATOM 929 C C . GLN A 0 111 . 19.748 7.843 -12.849 1.00 93.34 111 A 1 ATOM 930 C CB . GLN A 0 111 . 19.262 6.488 -10.786 1.00 93.34 111 A 1 ATOM 931 O O . GLN A 0 111 . 20.855 7.805 -13.386 1.00 93.34 111 A 1 ATOM 932 C CG . GLN A 0 111 . 19.374 6.349 -9.257 1.00 93.34 111 A 1 ATOM 933 C CD . GLN A 0 111 . 19.004 4.935 -8.834 1.00 93.34 111 A 1 ATOM 934 N NE2 . GLN A 0 111 . 18.181 4.710 -7.837 1.00 93.34 111 A 1 ATOM 935 O OE1 . GLN A 0 111 . 19.462 3.979 -9.425 1.00 93.34 111 A 1 ATOM 936 N N . ILE A 0 112 . 18.610 7.941 -13.546 1.00 94.27 112 A 1 ATOM 937 C CA . ILE A 0 112 . 18.564 8.044 -15.013 1.00 94.27 112 A 1 ATOM 938 C C . ILE A 0 112 . 19.349 9.269 -15.488 1.00 94.27 112 A 1 ATOM 939 C CB . ILE A 0 112 . 17.100 8.074 -15.515 1.00 94.27 112 A 1 ATOM 940 O O . ILE A 0 112 . 20.246 9.138 -16.320 1.00 94.27 112 A 1 ATOM 941 C CG1 . ILE A 0 112 . 16.420 6.706 -15.303 1.00 94.27 112 A 1 ATOM 942 C CG2 . ILE A 0 112 . 17.027 8.443 -17.007 1.00 94.27 112 A 1 ATOM 943 C CD1 . ILE A 0 112 . 14.886 6.776 -15.284 1.00 94.27 112 A 1 ATOM 944 N N . LEU A 0 113 . 19.075 10.444 -14.913 1.00 93.93 113 A 1 ATOM 945 C CA . LEU A 0 113 . 19.754 11.688 -15.279 1.00 93.93 113 A 1 ATOM 946 C C . LEU A 0 113 . 21.271 11.602 -15.085 1.00 93.93 113 A 1 ATOM 947 C CB . LEU A 0 113 . 19.174 12.851 -14.455 1.00 93.93 113 A 1 ATOM 948 O O . LEU A 0 113 . 22.016 12.074 -15.937 1.00 93.93 113 A 1 ATOM 949 C CG . LEU A 0 113 . 17.763 13.291 -14.882 1.00 93.93 113 A 1 ATOM 950 C CD1 . LEU A 0 113 . 17.218 14.290 -13.860 1.00 93.93 113 A 1 ATOM 951 C CD2 . LEU A 0 113 . 17.758 13.959 -16.258 1.00 93.93 113 A 1 ATOM 952 N N . LYS A 0 114 . 21.740 10.960 -14.006 1.00 92.14 114 A 1 ATOM 953 C CA . LYS A 0 114 . 23.176 10.764 -13.745 1.00 92.14 114 A 1 ATOM 954 C C . LYS A 0 114 . 23.867 9.915 -14.810 1.00 92.14 114 A 1 ATOM 955 C CB . LYS A 0 114 . 23.377 10.108 -12.375 1.00 92.14 114 A 1 ATOM 956 O O . LYS A 0 114 . 25.026 10.182 -15.121 1.00 92.14 114 A 1 ATOM 957 C CG . LYS A 0 114 . 23.196 11.097 -11.220 1.00 92.14 114 A 1 ATOM 958 C CD . LYS A 0 114 . 23.185 10.337 -9.890 1.00 92.14 114 A 1 ATOM 959 C CE . LYS A 0 114 . 22.941 11.313 -8.739 1.00 92.14 114 A 1 ATOM 960 N NZ . LYS A 0 114 . 22.732 10.597 -7.457 1.00 92.14 114 A 1 ATOM 961 N N . VAL A 0 115 . 23.199 8.889 -15.334 1.00 90.81 115 A 1 ATOM 962 C CA . VAL A 0 115 . 23.753 8.059 -16.417 1.00 90.81 115 A 1 ATOM 963 C C . VAL A 0 115 . 23.743 8.844 -17.725 1.00 90.81 115 A 1 ATOM 964 C CB . VAL A 0 115 . 23.018 6.710 -16.524 1.00 90.81 115 A 1 ATOM 965 O O . VAL A 0 115 . 24.791 8.993 -18.342 1.00 90.81 115 A 1 ATOM 966 C CG1 . VAL A 0 115 . 23.495 5.881 -17.720 1.00 90.81 115 A 1 ATOM 967 C CG2 . VAL A 0 115 . 23.275 5.882 -15.253 1.00 90.81 115 A 1 ATOM 968 N N . MET A 0 116 . 22.619 9.480 -18.068 1.00 90.02 116 A 1 ATOM 969 C CA . MET A 0 116 . 22.516 10.304 -19.280 1.00 90.02 116 A 1 ATOM 970 C C . MET A 0 116 . 23.532 11.456 -19.308 1.00 90.02 116 A 1 ATOM 971 C CB . MET A 0 116 . 21.099 10.874 -19.401 1.00 90.02 116 A 1 ATOM 972 O O . MET A 0 116 . 24.080 11.766 -20.359 1.00 90.02 116 A 1 ATOM 973 C CG . MET A 0 116 . 20.046 9.797 -19.680 1.00 90.02 116 A 1 ATOM 974 S SD . MET A 0 116 . 18.353 10.439 -19.824 1.00 90.02 116 A 1 ATOM 975 C CE . MET A 0 116 . 18.489 11.371 -21.375 1.00 90.02 116 A 1 ATOM 976 N N . SER A 0 117 . 23.828 12.076 -18.160 1.00 89.01 117 A 1 ATOM 977 C CA . SER A 0 117 . 24.841 13.138 -18.070 1.00 89.01 117 A 1 ATOM 978 C C . SER A 0 117 . 26.278 12.645 -18.248 1.00 89.01 117 A 1 ATOM 979 C CB . SER A 0 117 . 24.733 13.878 -16.734 1.00 89.01 117 A 1 ATOM 980 O O . SER A 0 117 . 27.160 13.450 -18.524 1.00 89.01 117 A 1 ATOM 981 O OG . SER A 0 117 . 25.005 13.043 -15.617 1.00 89.01 117 A 1 ATOM 982 N N . LYS A 0 118 . 26.531 11.346 -18.041 1.00 82.28 118 A 1 ATOM 983 C CA . LYS A 0 118 . 27.846 10.737 -18.269 1.00 82.28 118 A 1 ATOM 984 C C . LYS A 0 118 . 28.027 10.305 -19.717 1.00 82.28 118 A 1 ATOM 985 C CB . LYS A 0 118 . 28.052 9.534 -17.348 1.00 82.28 118 A 1 ATOM 986 O O . LYS A 0 118 . 29.139 10.399 -20.201 1.00 82.28 118 A 1 ATOM 987 C CG . LYS A 0 118 . 28.308 9.953 -15.900 1.00 82.28 118 A 1 ATOM 988 C CD . LYS A 0 118 . 28.430 8.688 -15.052 1.00 82.28 118 A 1 ATOM 989 C CE . LYS A 0 118 . 28.707 9.050 -13.597 1.00 82.28 118 A 1 ATOM 990 N NZ . LYS A 0 118 . 28.975 7.823 -12.813 1.00 82.28 118 A 1 ATOM 991 N N . ASP A 0 119 . 26.954 9.878 -20.380 1.00 72.95 119 A 1 ATOM 992 C CA . ASP A 0 119 . 26.992 9.477 -21.792 1.00 72.95 119 A 1 ATOM 993 C C . ASP A 0 119 . 27.092 10.686 -22.748 1.00 72.95 119 A 1 ATOM 994 C CB . ASP A 0 119 . 25.740 8.637 -22.115 1.00 72.95 119 A 1 ATOM 995 O O . ASP A 0 119 . 27.469 10.533 -23.906 1.00 72.95 119 A 1 ATOM 996 C CG . ASP A 0 119 . 25.633 7.299 -21.362 1.00 72.95 119 A 1 ATOM 997 O OD1 . ASP A 0 119 . 26.650 6.812 -20.819 1.00 72.95 119 A 1 ATOM 998 O OD2 . ASP A 0 119 . 24.502 6.756 -21.322 1.00 72.95 119 A 1 ATOM 999 N N . GLY A 0 120 . 26.728 11.889 -22.281 1.00 65.37 120 A 1 ATOM 1000 C CA . GLY A 0 120 . 26.813 13.139 -23.047 1.00 65.37 120 A 1 ATOM 1001 C C . GLY A 0 120 . 28.158 13.880 -22.978 1.00 65.37 120 A 1 ATOM 1002 O O . GLY A 0 120 . 28.275 14.927 -23.614 1.00 65.37 120 A 1 ATOM 1003 N N . ASN A 0 121 . 29.133 13.370 -22.217 1.00 48.88 121 A 1 ATOM 1004 C CA . ASN A 0 121 . 30.515 13.867 -22.119 1.00 48.88 121 A 1 ATOM 1005 C C . ASN A 0 121 . 31.494 12.804 -22.624 1.00 48.88 121 A 1 ATOM 1006 C CB . ASN A 0 121 . 30.845 14.222 -20.654 1.00 48.88 121 A 1 ATOM 1007 O O . ASN A 0 121 . 32.579 13.203 -23.097 1.00 48.88 121 A 1 ATOM 1008 C CG . ASN A 0 121 . 30.375 15.579 -20.166 1.00 48.88 121 A 1 ATOM 1009 N ND2 . ASN A 0 121 . 30.306 15.745 -18.866 1.00 48.88 121 A 1 ATOM 1010 O OD1 . ASN A 0 121 . 30.117 16.529 -20.884 1.00 48.88 121 A 1 ATOM 1011 O OXT . ASN A 0 121 . 31.166 11.615 -22.438 1.00 48.88 121 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 91.22 # loop_ _atom_type.symbol C N O S #