Starting phenix.real_space_refine on Tue Mar 12 08:20:39 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/03_2024/7q5a_13830_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/03_2024/7q5a_13830.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.46 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/03_2024/7q5a_13830.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/03_2024/7q5a_13830.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/03_2024/7q5a_13830_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/03_2024/7q5a_13830_updated.pdb" } resolution = 2.46 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.005 sd= 0.085 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 1600 5.16 5 C 43200 2.51 5 N 8800 2.21 5 O 8000 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "E TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "CW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "DS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "EW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "FS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "GW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "HS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "IW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "JS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "KW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "LS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "MW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "NS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "OW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "PS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "QW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "RS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "SW TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S4 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TC TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TK TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "TS TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T0 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T8 TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UG TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "UO TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.09s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 61600 Number of models: 1 Model: "" Number of chains: 800 Chain: "A" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "U" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "V" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "W" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "X" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Y" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Z" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "a" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "b" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "c" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "d" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "e" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "f" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "g" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "h" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "i" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "j" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "k" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "l" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "m" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "n" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "o" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "p" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "q" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "r" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "s" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "t" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "u" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "v" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "w" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "x" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "y" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "z" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "AZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "A9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "BZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "B9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "CZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "C9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "DZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "D9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ED" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ER" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ES" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ET" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "EZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "E9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "FZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "F9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "GZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "G9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "HZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "H9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ID" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "II" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "IZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "I9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "JZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "J9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "KZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "K9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "LZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "L9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ME" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ML" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "MZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "M9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ND" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "NZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "N9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ON" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "OZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "O9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "PZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "P9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "QZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "Q9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "RZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "R9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "ST" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "SZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "S9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TS" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TT" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TU" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TV" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TW" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TX" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TY" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "TZ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T0" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T1" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T2" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T3" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T4" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T5" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T6" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T7" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T8" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "T9" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UA" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UB" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UC" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UD" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UE" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UF" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UG" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UH" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UI" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UJ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UK" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UL" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UM" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UN" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UO" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UP" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UQ" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Chain: "UR" Number of atoms: 77 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 77 Unusual residues: {'NH2': 1} Classifications: {'peptide': 8, 'undetermined': 1} Modifications used: {'PEPT-D': 1} Link IDs: {'NH2_CTERM': 1, 'TRANS': 7} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Planarities with less than four sites: {'4J2:plan-2': 1} Unresolved non-hydrogen planarities: 1 Time building chain proxies: 28.31, per 1000 atoms: 0.46 Number of scatterers: 61600 At special positions: 0 Unit cell: (285.322, 285.322, 148.767, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 1600 16.00 O 8000 8.00 N 8800 7.00 C 43200 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=800, symmetry=0 Simple disulfide: pdb=" SG CYS A 2 " - pdb=" SG CYS A 7 " distance=2.04 Simple disulfide: pdb=" SG CYS B 102 " - pdb=" SG CYS B 107 " distance=2.04 Simple disulfide: pdb=" SG CYS C 202 " - pdb=" SG CYS C 207 " distance=2.04 Simple disulfide: pdb=" SG CYS D 302 " - pdb=" SG CYS D 307 " distance=2.04 Simple disulfide: pdb=" SG CYS E 402 " - pdb=" SG CYS E 407 " distance=2.04 Simple disulfide: pdb=" SG CYS F 502 " - pdb=" SG CYS F 507 " distance=2.03 Simple disulfide: pdb=" SG CYS G 602 " - pdb=" SG CYS G 607 " distance=2.04 Simple disulfide: pdb=" SG CYS H 702 " - pdb=" SG CYS H 707 " distance=2.04 Simple disulfide: pdb=" SG CYS I 2 " - pdb=" SG CYS I 7 " distance=2.04 Simple disulfide: pdb=" SG CYS J 102 " - pdb=" SG CYS J 107 " distance=2.04 Simple disulfide: pdb=" SG CYS K 202 " - pdb=" SG CYS K 207 " distance=2.04 Simple disulfide: pdb=" SG CYS L 302 " - pdb=" SG CYS L 307 " distance=2.04 Simple disulfide: pdb=" SG CYS M 402 " - pdb=" SG CYS M 407 " distance=2.04 Simple disulfide: pdb=" SG CYS N 502 " - pdb=" SG CYS N 507 " distance=2.03 Simple disulfide: pdb=" SG CYS O 602 " - pdb=" SG CYS O 607 " distance=2.04 Simple disulfide: pdb=" SG CYS P 702 " - pdb=" SG CYS P 707 " distance=2.04 Simple disulfide: pdb=" SG CYS Q 2 " - pdb=" SG CYS Q 7 " distance=2.04 Simple disulfide: pdb=" SG CYS R 102 " - pdb=" SG CYS R 107 " distance=2.04 Simple disulfide: pdb=" SG CYS S 202 " - pdb=" SG CYS S 207 " distance=2.04 Simple disulfide: pdb=" SG CYS T 302 " - pdb=" SG CYS T 307 " distance=2.04 Simple disulfide: pdb=" SG CYS U 402 " - pdb=" SG CYS U 407 " distance=2.04 Simple disulfide: pdb=" SG CYS V 502 " - pdb=" SG CYS V 507 " distance=2.03 Simple disulfide: pdb=" SG CYS W 602 " - pdb=" SG CYS W 607 " distance=2.04 Simple disulfide: pdb=" SG CYS X 702 " - pdb=" SG CYS X 707 " distance=2.04 Simple disulfide: pdb=" SG CYS Y 2 " - pdb=" SG CYS Y 7 " distance=2.04 Simple disulfide: pdb=" SG CYS Z 102 " - pdb=" SG CYS Z 107 " distance=2.04 Simple disulfide: pdb=" SG CYS 0 202 " - pdb=" SG CYS 0 207 " distance=2.04 Simple disulfide: pdb=" SG CYS 1 302 " - pdb=" SG CYS 1 307 " distance=2.04 Simple disulfide: pdb=" SG CYS 2 402 " - pdb=" SG CYS 2 407 " distance=2.04 Simple disulfide: pdb=" SG CYS 3 502 " - pdb=" SG CYS 3 507 " distance=2.03 Simple disulfide: pdb=" SG CYS 4 602 " - pdb=" SG CYS 4 607 " distance=2.04 Simple disulfide: pdb=" SG CYS 5 702 " - pdb=" SG CYS 5 707 " distance=2.04 Simple disulfide: pdb=" SG CYS 6 2 " - pdb=" SG CYS 6 7 " distance=2.04 Simple disulfide: pdb=" SG CYS 7 102 " - pdb=" SG CYS 7 107 " distance=2.04 Simple disulfide: pdb=" SG CYS 8 202 " - pdb=" SG CYS 8 207 " distance=2.04 Simple disulfide: pdb=" SG CYS 9 302 " - pdb=" SG CYS 9 307 " distance=2.04 Simple disulfide: pdb=" SG CYS a 402 " - pdb=" SG CYS a 407 " distance=2.04 Simple disulfide: pdb=" SG CYS b 502 " - pdb=" SG CYS b 507 " distance=2.03 Simple disulfide: pdb=" SG CYS c 602 " - pdb=" SG CYS c 607 " distance=2.04 Simple disulfide: pdb=" SG CYS d 702 " - pdb=" SG CYS d 707 " distance=2.04 Simple disulfide: pdb=" SG CYS e 2 " - pdb=" SG CYS e 7 " distance=2.04 Simple disulfide: pdb=" SG CYS f 102 " - pdb=" SG CYS f 107 " distance=2.04 Simple disulfide: pdb=" SG CYS g 202 " - pdb=" SG CYS g 207 " distance=2.04 Simple disulfide: pdb=" SG CYS h 302 " - pdb=" SG CYS h 307 " distance=2.04 Simple disulfide: pdb=" SG CYS i 402 " - pdb=" SG CYS i 407 " distance=2.04 Simple disulfide: pdb=" SG CYS j 502 " - pdb=" SG CYS j 507 " distance=2.03 Simple disulfide: pdb=" SG CYS k 602 " - pdb=" SG CYS k 607 " distance=2.04 Simple disulfide: pdb=" SG CYS l 702 " - pdb=" SG CYS l 707 " distance=2.04 Simple disulfide: pdb=" SG CYS m 2 " - pdb=" SG CYS m 7 " distance=2.04 Simple disulfide: pdb=" SG CYS n 102 " - pdb=" SG CYS n 107 " distance=2.04 Simple disulfide: pdb=" SG CYS o 202 " - pdb=" SG CYS o 207 " distance=2.04 Simple disulfide: pdb=" SG CYS p 302 " - pdb=" SG CYS p 307 " distance=2.04 Simple disulfide: pdb=" SG CYS q 402 " - pdb=" SG CYS q 407 " distance=2.04 Simple disulfide: pdb=" SG CYS r 502 " - pdb=" SG CYS r 507 " distance=2.03 Simple disulfide: pdb=" SG CYS s 602 " - pdb=" SG CYS s 607 " distance=2.04 Simple disulfide: pdb=" SG CYS t 702 " - pdb=" SG CYS t 707 " distance=2.04 Simple disulfide: pdb=" SG CYS u 2 " - pdb=" SG CYS u 7 " distance=2.04 Simple disulfide: pdb=" SG CYS v 102 " - pdb=" SG CYS v 107 " distance=2.04 Simple disulfide: pdb=" SG CYS w 202 " - pdb=" SG CYS w 207 " distance=2.04 Simple disulfide: pdb=" SG CYS x 302 " - pdb=" SG CYS x 307 " distance=2.04 Simple disulfide: pdb=" SG CYS y 402 " - pdb=" SG CYS y 407 " distance=2.04 Simple disulfide: pdb=" SG CYS z 502 " - pdb=" SG CYS z 507 " distance=2.03 Simple disulfide: pdb=" SG CYSAA 602 " - pdb=" SG CYSAA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSAB 702 " - pdb=" SG CYSAB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSAC 2 " - pdb=" SG CYSAC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSAD 102 " - pdb=" SG CYSAD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSAE 202 " - pdb=" SG CYSAE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSAF 302 " - pdb=" SG CYSAF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSAG 402 " - pdb=" SG CYSAG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSAH 502 " - pdb=" SG CYSAH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSAI 602 " - pdb=" SG CYSAI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSAJ 702 " - pdb=" SG CYSAJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSAK 2 " - pdb=" SG CYSAK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSAL 102 " - pdb=" SG CYSAL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSAM 202 " - pdb=" SG CYSAM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSAN 302 " - pdb=" SG CYSAN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSAO 402 " - pdb=" SG CYSAO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSAP 502 " - pdb=" SG CYSAP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSAQ 602 " - pdb=" SG CYSAQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSAR 702 " - pdb=" SG CYSAR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSAS 2 " - pdb=" SG CYSAS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSAT 102 " - pdb=" SG CYSAT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSAU 202 " - pdb=" SG CYSAU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSAV 302 " - pdb=" SG CYSAV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSAW 402 " - pdb=" SG CYSAW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSAX 502 " - pdb=" SG CYSAX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSAY 602 " - pdb=" SG CYSAY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSAZ 702 " - pdb=" SG CYSAZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSA0 2 " - pdb=" SG CYSA0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSA1 102 " - pdb=" SG CYSA1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSA2 202 " - pdb=" SG CYSA2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSA3 302 " - pdb=" SG CYSA3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSA4 402 " - pdb=" SG CYSA4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSA5 502 " - pdb=" SG CYSA5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSA6 602 " - pdb=" SG CYSA6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSA7 702 " - pdb=" SG CYSA7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSA8 2 " - pdb=" SG CYSA8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSA9 102 " - pdb=" SG CYSA9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSBA 202 " - pdb=" SG CYSBA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSBB 302 " - pdb=" SG CYSBB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSBC 402 " - pdb=" SG CYSBC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSBD 502 " - pdb=" SG CYSBD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSBE 602 " - pdb=" SG CYSBE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSBF 702 " - pdb=" SG CYSBF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSBG 2 " - pdb=" SG CYSBG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSBH 102 " - pdb=" SG CYSBH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSBI 202 " - pdb=" SG CYSBI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSBJ 302 " - pdb=" SG CYSBJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSBK 402 " - pdb=" SG CYSBK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSBL 502 " - pdb=" SG CYSBL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSBM 602 " - pdb=" SG CYSBM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSBN 702 " - pdb=" SG CYSBN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSBO 2 " - pdb=" SG CYSBO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSBP 102 " - pdb=" SG CYSBP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSBQ 202 " - pdb=" SG CYSBQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSBR 302 " - pdb=" SG CYSBR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSBS 402 " - pdb=" SG CYSBS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSBT 502 " - pdb=" SG CYSBT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSBU 602 " - pdb=" SG CYSBU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSBV 702 " - pdb=" SG CYSBV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSBW 2 " - pdb=" SG CYSBW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSBX 102 " - pdb=" SG CYSBX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSBY 202 " - pdb=" SG CYSBY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSBZ 302 " - pdb=" SG CYSBZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSB0 402 " - pdb=" SG CYSB0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSB1 502 " - pdb=" SG CYSB1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSB2 602 " - pdb=" SG CYSB2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSB3 702 " - pdb=" SG CYSB3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSB4 2 " - pdb=" SG CYSB4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSB5 102 " - pdb=" SG CYSB5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSB6 202 " - pdb=" SG CYSB6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSB7 302 " - pdb=" SG CYSB7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSB8 402 " - pdb=" SG CYSB8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSB9 502 " - pdb=" SG CYSB9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSCA 602 " - pdb=" SG CYSCA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSCB 702 " - pdb=" SG CYSCB 707 " distance=2.03 Simple disulfide: pdb=" SG CYSCC 2 " - pdb=" SG CYSCC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSCD 102 " - pdb=" SG CYSCD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSCE 202 " - pdb=" SG CYSCE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSCF 302 " - pdb=" SG CYSCF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSCG 402 " - pdb=" SG CYSCG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSCH 502 " - pdb=" SG CYSCH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSCI 602 " - pdb=" SG CYSCI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSCJ 702 " - pdb=" SG CYSCJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSCK 2 " - pdb=" SG CYSCK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSCL 102 " - pdb=" SG CYSCL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSCM 202 " - pdb=" SG CYSCM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSCN 302 " - pdb=" SG CYSCN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSCO 402 " - pdb=" SG CYSCO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSCP 502 " - pdb=" SG CYSCP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSCQ 602 " - pdb=" SG CYSCQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSCR 702 " - pdb=" SG CYSCR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSCS 2 " - pdb=" SG CYSCS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSCT 102 " - pdb=" SG CYSCT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSCU 202 " - pdb=" SG CYSCU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSCV 302 " - pdb=" SG CYSCV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSCW 402 " - pdb=" SG CYSCW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSCX 502 " - pdb=" SG CYSCX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSCY 602 " - pdb=" SG CYSCY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSCZ 702 " - pdb=" SG CYSCZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSC0 2 " - pdb=" SG CYSC0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSC1 102 " - pdb=" SG CYSC1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSC2 202 " - pdb=" SG CYSC2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSC3 302 " - pdb=" SG CYSC3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSC4 402 " - pdb=" SG CYSC4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSC5 502 " - pdb=" SG CYSC5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSC6 602 " - pdb=" SG CYSC6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSC7 702 " - pdb=" SG CYSC7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSC8 2 " - pdb=" SG CYSC8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSC9 102 " - pdb=" SG CYSC9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSDA 202 " - pdb=" SG CYSDA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSDB 302 " - pdb=" SG CYSDB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSDC 402 " - pdb=" SG CYSDC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSDD 502 " - pdb=" SG CYSDD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSDE 602 " - pdb=" SG CYSDE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSDF 702 " - pdb=" SG CYSDF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSDG 2 " - pdb=" SG CYSDG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSDH 102 " - pdb=" SG CYSDH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSDI 202 " - pdb=" SG CYSDI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSDJ 302 " - pdb=" SG CYSDJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSDK 402 " - pdb=" SG CYSDK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSDL 502 " - pdb=" SG CYSDL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSDM 602 " - pdb=" SG CYSDM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSDN 702 " - pdb=" SG CYSDN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSDO 2 " - pdb=" SG CYSDO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSDP 102 " - pdb=" SG CYSDP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSDQ 202 " - pdb=" SG CYSDQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSDR 302 " - pdb=" SG CYSDR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSDS 402 " - pdb=" SG CYSDS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSDT 502 " - pdb=" SG CYSDT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSDU 602 " - pdb=" SG CYSDU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSDV 702 " - pdb=" SG CYSDV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSDW 2 " - pdb=" SG CYSDW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSDX 102 " - pdb=" SG CYSDX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSDY 202 " - pdb=" SG CYSDY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSDZ 302 " - pdb=" SG CYSDZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSD0 402 " - pdb=" SG CYSD0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSD1 502 " - pdb=" SG CYSD1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSD2 602 " - pdb=" SG CYSD2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSD3 702 " - pdb=" SG CYSD3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSD4 2 " - pdb=" SG CYSD4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSD5 102 " - pdb=" SG CYSD5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSD6 202 " - pdb=" SG CYSD6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSD7 302 " - pdb=" SG CYSD7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSD8 402 " - pdb=" SG CYSD8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSD9 502 " - pdb=" SG CYSD9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSEA 602 " - pdb=" SG CYSEA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSEB 702 " - pdb=" SG CYSEB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSEC 2 " - pdb=" SG CYSEC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSED 102 " - pdb=" SG CYSED 107 " distance=2.04 Simple disulfide: pdb=" SG CYSEE 202 " - pdb=" SG CYSEE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSEF 302 " - pdb=" SG CYSEF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSEG 402 " - pdb=" SG CYSEG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSEH 502 " - pdb=" SG CYSEH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSEI 602 " - pdb=" SG CYSEI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSEJ 702 " - pdb=" SG CYSEJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSEK 2 " - pdb=" SG CYSEK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSEL 102 " - pdb=" SG CYSEL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSEM 202 " - pdb=" SG CYSEM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSEN 302 " - pdb=" SG CYSEN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSEO 402 " - pdb=" SG CYSEO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSEP 502 " - pdb=" SG CYSEP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSEQ 602 " - pdb=" SG CYSEQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSER 702 " - pdb=" SG CYSER 707 " distance=2.04 Simple disulfide: pdb=" SG CYSES 2 " - pdb=" SG CYSES 7 " distance=2.04 Simple disulfide: pdb=" SG CYSET 102 " - pdb=" SG CYSET 107 " distance=2.04 Simple disulfide: pdb=" SG CYSEU 202 " - pdb=" SG CYSEU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSEV 302 " - pdb=" SG CYSEV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSEW 402 " - pdb=" SG CYSEW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSEX 502 " - pdb=" SG CYSEX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSEY 602 " - pdb=" SG CYSEY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSEZ 702 " - pdb=" SG CYSEZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSE0 2 " - pdb=" SG CYSE0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSE1 102 " - pdb=" SG CYSE1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSE2 202 " - pdb=" SG CYSE2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSE3 302 " - pdb=" SG CYSE3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSE4 402 " - pdb=" SG CYSE4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSE5 502 " - pdb=" SG CYSE5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSE6 602 " - pdb=" SG CYSE6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSE7 702 " - pdb=" SG CYSE7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSE8 2 " - pdb=" SG CYSE8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSE9 102 " - pdb=" SG CYSE9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSFA 202 " - pdb=" SG CYSFA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSFB 302 " - pdb=" SG CYSFB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSFC 402 " - pdb=" SG CYSFC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSFD 502 " - pdb=" SG CYSFD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSFE 602 " - pdb=" SG CYSFE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSFF 702 " - pdb=" SG CYSFF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSFG 2 " - pdb=" SG CYSFG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSFH 102 " - pdb=" SG CYSFH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSFI 202 " - pdb=" SG CYSFI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSFJ 302 " - pdb=" SG CYSFJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSFK 402 " - pdb=" SG CYSFK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSFL 502 " - pdb=" SG CYSFL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSFM 602 " - pdb=" SG CYSFM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSFN 702 " - pdb=" SG CYSFN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSFO 2 " - pdb=" SG CYSFO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSFP 102 " - pdb=" SG CYSFP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSFQ 202 " - pdb=" SG CYSFQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSFR 302 " - pdb=" SG CYSFR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSFS 402 " - pdb=" SG CYSFS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSFT 502 " - pdb=" SG CYSFT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSFU 602 " - pdb=" SG CYSFU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSFV 702 " - pdb=" SG CYSFV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSFW 2 " - pdb=" SG CYSFW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSFX 102 " - pdb=" SG CYSFX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSFY 202 " - pdb=" SG CYSFY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSFZ 302 " - pdb=" SG CYSFZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSF0 402 " - pdb=" SG CYSF0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSF1 502 " - pdb=" SG CYSF1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSF2 602 " - pdb=" SG CYSF2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSF3 702 " - pdb=" SG CYSF3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSF4 2 " - pdb=" SG CYSF4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSF5 102 " - pdb=" SG CYSF5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSF6 202 " - pdb=" SG CYSF6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSF7 302 " - pdb=" SG CYSF7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSF8 402 " - pdb=" SG CYSF8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSF9 502 " - pdb=" SG CYSF9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSGA 602 " - pdb=" SG CYSGA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSGB 702 " - pdb=" SG CYSGB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSGC 2 " - pdb=" SG CYSGC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSGD 102 " - pdb=" SG CYSGD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSGE 202 " - pdb=" SG CYSGE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSGF 302 " - pdb=" SG CYSGF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSGG 402 " - pdb=" SG CYSGG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSGH 502 " - pdb=" SG CYSGH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSGI 602 " - pdb=" SG CYSGI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSGJ 702 " - pdb=" SG CYSGJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSGK 2 " - pdb=" SG CYSGK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSGL 102 " - pdb=" SG CYSGL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSGM 202 " - pdb=" SG CYSGM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSGN 302 " - pdb=" SG CYSGN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSGO 402 " - pdb=" SG CYSGO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSGP 502 " - pdb=" SG CYSGP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSGQ 602 " - pdb=" SG CYSGQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSGR 702 " - pdb=" SG CYSGR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSGS 2 " - pdb=" SG CYSGS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSGT 102 " - pdb=" SG CYSGT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSGU 202 " - pdb=" SG CYSGU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSGV 302 " - pdb=" SG CYSGV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSGW 402 " - pdb=" SG CYSGW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSGX 502 " - pdb=" SG CYSGX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSGY 602 " - pdb=" SG CYSGY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSGZ 702 " - pdb=" SG CYSGZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSG0 2 " - pdb=" SG CYSG0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSG1 102 " - pdb=" SG CYSG1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSG2 202 " - pdb=" SG CYSG2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSG3 302 " - pdb=" SG CYSG3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSG4 402 " - pdb=" SG CYSG4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSG5 502 " - pdb=" SG CYSG5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSG6 602 " - pdb=" SG CYSG6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSG7 702 " - pdb=" SG CYSG7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSG8 2 " - pdb=" SG CYSG8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSG9 102 " - pdb=" SG CYSG9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSHA 202 " - pdb=" SG CYSHA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSHB 302 " - pdb=" SG CYSHB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSHC 402 " - pdb=" SG CYSHC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSHD 502 " - pdb=" SG CYSHD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSHE 602 " - pdb=" SG CYSHE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSHF 702 " - pdb=" SG CYSHF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSHG 2 " - pdb=" SG CYSHG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSHH 102 " - pdb=" SG CYSHH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSHI 202 " - pdb=" SG CYSHI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSHJ 302 " - pdb=" SG CYSHJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSHK 402 " - pdb=" SG CYSHK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSHL 502 " - pdb=" SG CYSHL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSHM 602 " - pdb=" SG CYSHM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSHN 702 " - pdb=" SG CYSHN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSHO 2 " - pdb=" SG CYSHO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSHP 102 " - pdb=" SG CYSHP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSHQ 202 " - pdb=" SG CYSHQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSHR 302 " - pdb=" SG CYSHR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSHS 402 " - pdb=" SG CYSHS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSHT 502 " - pdb=" SG CYSHT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSHU 602 " - pdb=" SG CYSHU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSHV 702 " - pdb=" SG CYSHV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSHW 2 " - pdb=" SG CYSHW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSHX 102 " - pdb=" SG CYSHX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSHY 202 " - pdb=" SG CYSHY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSHZ 302 " - pdb=" SG CYSHZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSH0 402 " - pdb=" SG CYSH0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSH1 502 " - pdb=" SG CYSH1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSH2 602 " - pdb=" SG CYSH2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSH3 702 " - pdb=" SG CYSH3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSH4 2 " - pdb=" SG CYSH4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSH5 102 " - pdb=" SG CYSH5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSH6 202 " - pdb=" SG CYSH6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSH7 302 " - pdb=" SG CYSH7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSH8 402 " - pdb=" SG CYSH8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSH9 502 " - pdb=" SG CYSH9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSIA 602 " - pdb=" SG CYSIA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSIB 702 " - pdb=" SG CYSIB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSIC 2 " - pdb=" SG CYSIC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSID 102 " - pdb=" SG CYSID 107 " distance=2.04 Simple disulfide: pdb=" SG CYSIE 202 " - pdb=" SG CYSIE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSIF 302 " - pdb=" SG CYSIF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSIG 402 " - pdb=" SG CYSIG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSIH 502 " - pdb=" SG CYSIH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSII 602 " - pdb=" SG CYSII 607 " distance=2.04 Simple disulfide: pdb=" SG CYSIJ 702 " - pdb=" SG CYSIJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSIK 2 " - pdb=" SG CYSIK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSIL 102 " - pdb=" SG CYSIL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSIM 202 " - pdb=" SG CYSIM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSIN 302 " - pdb=" SG CYSIN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSIO 402 " - pdb=" SG CYSIO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSIP 502 " - pdb=" SG CYSIP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSIQ 602 " - pdb=" SG CYSIQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSIR 702 " - pdb=" SG CYSIR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSIS 2 " - pdb=" SG CYSIS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSIT 102 " - pdb=" SG CYSIT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSIU 202 " - pdb=" SG CYSIU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSIV 302 " - pdb=" SG CYSIV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSIW 402 " - pdb=" SG CYSIW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSIX 502 " - pdb=" SG CYSIX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSIY 602 " - pdb=" SG CYSIY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSIZ 702 " - pdb=" SG CYSIZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSI0 2 " - pdb=" SG CYSI0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSI1 102 " - pdb=" SG CYSI1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSI2 202 " - pdb=" SG CYSI2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSI3 302 " - pdb=" SG CYSI3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSI4 402 " - pdb=" SG CYSI4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSI5 502 " - pdb=" SG CYSI5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSI6 602 " - pdb=" SG CYSI6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSI7 702 " - pdb=" SG CYSI7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSI8 2 " - pdb=" SG CYSI8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSI9 102 " - pdb=" SG CYSI9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSJA 202 " - pdb=" SG CYSJA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSJB 302 " - pdb=" SG CYSJB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSJC 402 " - pdb=" SG CYSJC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSJD 502 " - pdb=" SG CYSJD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSJE 602 " - pdb=" SG CYSJE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSJF 702 " - pdb=" SG CYSJF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSJG 2 " - pdb=" SG CYSJG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSJH 102 " - pdb=" SG CYSJH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSJI 202 " - pdb=" SG CYSJI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSJJ 302 " - pdb=" SG CYSJJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSJK 402 " - pdb=" SG CYSJK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSJL 502 " - pdb=" SG CYSJL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSJM 602 " - pdb=" SG CYSJM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSJN 702 " - pdb=" SG CYSJN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSJO 2 " - pdb=" SG CYSJO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSJP 102 " - pdb=" SG CYSJP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSJQ 202 " - pdb=" SG CYSJQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSJR 302 " - pdb=" SG CYSJR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSJS 402 " - pdb=" SG CYSJS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSJT 502 " - pdb=" SG CYSJT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSJU 602 " - pdb=" SG CYSJU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSJV 702 " - pdb=" SG CYSJV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSJW 2 " - pdb=" SG CYSJW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSJX 102 " - pdb=" SG CYSJX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSJY 202 " - pdb=" SG CYSJY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSJZ 302 " - pdb=" SG CYSJZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSJ0 402 " - pdb=" SG CYSJ0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSJ1 502 " - pdb=" SG CYSJ1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSJ2 602 " - pdb=" SG CYSJ2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSJ3 702 " - pdb=" SG CYSJ3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSJ4 2 " - pdb=" SG CYSJ4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSJ5 102 " - pdb=" SG CYSJ5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSJ6 202 " - pdb=" SG CYSJ6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSJ7 302 " - pdb=" SG CYSJ7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSJ8 402 " - pdb=" SG CYSJ8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSJ9 502 " - pdb=" SG CYSJ9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSKA 602 " - pdb=" SG CYSKA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSKB 702 " - pdb=" SG CYSKB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSKC 2 " - pdb=" SG CYSKC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSKD 102 " - pdb=" SG CYSKD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSKE 202 " - pdb=" SG CYSKE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSKF 302 " - pdb=" SG CYSKF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSKG 402 " - pdb=" SG CYSKG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSKH 502 " - pdb=" SG CYSKH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSKI 602 " - pdb=" SG CYSKI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSKJ 702 " - pdb=" SG CYSKJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSKK 2 " - pdb=" SG CYSKK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSKL 102 " - pdb=" SG CYSKL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSKM 202 " - pdb=" SG CYSKM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSKN 302 " - pdb=" SG CYSKN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSKO 402 " - pdb=" SG CYSKO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSKP 502 " - pdb=" SG CYSKP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSKQ 602 " - pdb=" SG CYSKQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSKR 702 " - pdb=" SG CYSKR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSKS 2 " - pdb=" SG CYSKS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSKT 102 " - pdb=" SG CYSKT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSKU 202 " - pdb=" SG CYSKU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSKV 302 " - pdb=" SG CYSKV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSKW 402 " - pdb=" SG CYSKW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSKX 502 " - pdb=" SG CYSKX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSKY 602 " - pdb=" SG CYSKY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSKZ 702 " - pdb=" SG CYSKZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSK0 2 " - pdb=" SG CYSK0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSK1 102 " - pdb=" SG CYSK1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSK2 202 " - pdb=" SG CYSK2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSK3 302 " - pdb=" SG CYSK3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSK4 402 " - pdb=" SG CYSK4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSK5 502 " - pdb=" SG CYSK5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSK6 602 " - pdb=" SG CYSK6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSK7 702 " - pdb=" SG CYSK7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSK8 2 " - pdb=" SG CYSK8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSK9 102 " - pdb=" SG CYSK9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSLA 202 " - pdb=" SG CYSLA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSLB 302 " - pdb=" SG CYSLB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSLC 402 " - pdb=" SG CYSLC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSLD 502 " - pdb=" SG CYSLD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSLE 602 " - pdb=" SG CYSLE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSLF 702 " - pdb=" SG CYSLF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSLG 2 " - pdb=" SG CYSLG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSLH 102 " - pdb=" SG CYSLH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSLI 202 " - pdb=" SG CYSLI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSLJ 302 " - pdb=" SG CYSLJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSLK 402 " - pdb=" SG CYSLK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSLL 502 " - pdb=" SG CYSLL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSLM 602 " - pdb=" SG CYSLM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSLN 702 " - pdb=" SG CYSLN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSLO 2 " - pdb=" SG CYSLO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSLP 102 " - pdb=" SG CYSLP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSLQ 202 " - pdb=" SG CYSLQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSLR 302 " - pdb=" SG CYSLR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSLS 402 " - pdb=" SG CYSLS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSLT 502 " - pdb=" SG CYSLT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSLU 602 " - pdb=" SG CYSLU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSLV 702 " - pdb=" SG CYSLV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSLW 2 " - pdb=" SG CYSLW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSLX 102 " - pdb=" SG CYSLX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSLY 202 " - pdb=" SG CYSLY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSLZ 302 " - pdb=" SG CYSLZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSL0 402 " - pdb=" SG CYSL0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSL1 502 " - pdb=" SG CYSL1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSL2 602 " - pdb=" SG CYSL2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSL3 702 " - pdb=" SG CYSL3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSL4 2 " - pdb=" SG CYSL4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSL5 102 " - pdb=" SG CYSL5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSL6 202 " - pdb=" SG CYSL6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSL7 302 " - pdb=" SG CYSL7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSL8 402 " - pdb=" SG CYSL8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSL9 502 " - pdb=" SG CYSL9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSMA 602 " - pdb=" SG CYSMA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSMB 702 " - pdb=" SG CYSMB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSMC 2 " - pdb=" SG CYSMC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSMD 102 " - pdb=" SG CYSMD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSME 202 " - pdb=" SG CYSME 207 " distance=2.04 Simple disulfide: pdb=" SG CYSMF 302 " - pdb=" SG CYSMF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSMG 402 " - pdb=" SG CYSMG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSMH 502 " - pdb=" SG CYSMH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSMI 602 " - pdb=" SG CYSMI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSMJ 702 " - pdb=" SG CYSMJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSMK 2 " - pdb=" SG CYSMK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSML 102 " - pdb=" SG CYSML 107 " distance=2.04 Simple disulfide: pdb=" SG CYSMM 202 " - pdb=" SG CYSMM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSMN 302 " - pdb=" SG CYSMN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSMO 402 " - pdb=" SG CYSMO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSMP 502 " - pdb=" SG CYSMP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSMQ 602 " - pdb=" SG CYSMQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSMR 702 " - pdb=" SG CYSMR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSMS 2 " - pdb=" SG CYSMS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSMT 102 " - pdb=" SG CYSMT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSMU 202 " - pdb=" SG CYSMU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSMV 302 " - pdb=" SG CYSMV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSMW 402 " - pdb=" SG CYSMW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSMX 502 " - pdb=" SG CYSMX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSMY 602 " - pdb=" SG CYSMY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSMZ 702 " - pdb=" SG CYSMZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSM0 2 " - pdb=" SG CYSM0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSM1 102 " - pdb=" SG CYSM1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSM2 202 " - pdb=" SG CYSM2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSM3 302 " - pdb=" SG CYSM3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSM4 402 " - pdb=" SG CYSM4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSM5 502 " - pdb=" SG CYSM5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSM6 602 " - pdb=" SG CYSM6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSM7 702 " - pdb=" SG CYSM7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSM8 2 " - pdb=" SG CYSM8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSM9 102 " - pdb=" SG CYSM9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSNA 202 " - pdb=" SG CYSNA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSNB 302 " - pdb=" SG CYSNB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSNC 402 " - pdb=" SG CYSNC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSND 502 " - pdb=" SG CYSND 507 " distance=2.03 Simple disulfide: pdb=" SG CYSNE 602 " - pdb=" SG CYSNE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSNF 702 " - pdb=" SG CYSNF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSNG 2 " - pdb=" SG CYSNG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSNH 102 " - pdb=" SG CYSNH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSNI 202 " - pdb=" SG CYSNI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSNJ 302 " - pdb=" SG CYSNJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSNK 402 " - pdb=" SG CYSNK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSNL 502 " - pdb=" SG CYSNL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSNM 602 " - pdb=" SG CYSNM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSNN 702 " - pdb=" SG CYSNN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSNO 2 " - pdb=" SG CYSNO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSNP 102 " - pdb=" SG CYSNP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSNQ 202 " - pdb=" SG CYSNQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSNR 302 " - pdb=" SG CYSNR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSNS 402 " - pdb=" SG CYSNS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSNT 502 " - pdb=" SG CYSNT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSNU 602 " - pdb=" SG CYSNU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSNV 702 " - pdb=" SG CYSNV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSNW 2 " - pdb=" SG CYSNW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSNX 102 " - pdb=" SG CYSNX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSNY 202 " - pdb=" SG CYSNY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSNZ 302 " - pdb=" SG CYSNZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSN0 402 " - pdb=" SG CYSN0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSN1 502 " - pdb=" SG CYSN1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSN2 602 " - pdb=" SG CYSN2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSN3 702 " - pdb=" SG CYSN3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSN4 2 " - pdb=" SG CYSN4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSN5 102 " - pdb=" SG CYSN5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSN6 202 " - pdb=" SG CYSN6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSN7 302 " - pdb=" SG CYSN7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSN8 402 " - pdb=" SG CYSN8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSN9 502 " - pdb=" SG CYSN9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSOA 602 " - pdb=" SG CYSOA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSOB 702 " - pdb=" SG CYSOB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSOC 2 " - pdb=" SG CYSOC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSOD 102 " - pdb=" SG CYSOD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSOE 202 " - pdb=" SG CYSOE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSOF 302 " - pdb=" SG CYSOF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSOG 402 " - pdb=" SG CYSOG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSOH 502 " - pdb=" SG CYSOH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSOI 602 " - pdb=" SG CYSOI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSOJ 702 " - pdb=" SG CYSOJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSOK 2 " - pdb=" SG CYSOK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSOL 102 " - pdb=" SG CYSOL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSOM 202 " - pdb=" SG CYSOM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSON 302 " - pdb=" SG CYSON 307 " distance=2.04 Simple disulfide: pdb=" SG CYSOO 402 " - pdb=" SG CYSOO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSOP 502 " - pdb=" SG CYSOP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSOQ 602 " - pdb=" SG CYSOQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSOR 702 " - pdb=" SG CYSOR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSOS 2 " - pdb=" SG CYSOS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSOT 102 " - pdb=" SG CYSOT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSOU 202 " - pdb=" SG CYSOU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSOV 302 " - pdb=" SG CYSOV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSOW 402 " - pdb=" SG CYSOW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSOX 502 " - pdb=" SG CYSOX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSOY 602 " - pdb=" SG CYSOY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSOZ 702 " - pdb=" SG CYSOZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSO0 2 " - pdb=" SG CYSO0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSO1 102 " - pdb=" SG CYSO1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSO2 202 " - pdb=" SG CYSO2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSO3 302 " - pdb=" SG CYSO3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSO4 402 " - pdb=" SG CYSO4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSO5 502 " - pdb=" SG CYSO5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSO6 602 " - pdb=" SG CYSO6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSO7 702 " - pdb=" SG CYSO7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSO8 2 " - pdb=" SG CYSO8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSO9 102 " - pdb=" SG CYSO9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSPA 202 " - pdb=" SG CYSPA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSPB 302 " - pdb=" SG CYSPB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSPC 402 " - pdb=" SG CYSPC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSPD 502 " - pdb=" SG CYSPD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSPE 602 " - pdb=" SG CYSPE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSPF 702 " - pdb=" SG CYSPF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSPG 2 " - pdb=" SG CYSPG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSPH 102 " - pdb=" SG CYSPH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSPI 202 " - pdb=" SG CYSPI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSPJ 302 " - pdb=" SG CYSPJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSPK 402 " - pdb=" SG CYSPK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSPL 502 " - pdb=" SG CYSPL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSPM 602 " - pdb=" SG CYSPM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSPN 702 " - pdb=" SG CYSPN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSPO 2 " - pdb=" SG CYSPO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSPP 102 " - pdb=" SG CYSPP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSPQ 202 " - pdb=" SG CYSPQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSPR 302 " - pdb=" SG CYSPR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSPS 402 " - pdb=" SG CYSPS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSPT 502 " - pdb=" SG CYSPT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSPU 602 " - pdb=" SG CYSPU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSPV 702 " - pdb=" SG CYSPV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSPW 2 " - pdb=" SG CYSPW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSPX 102 " - pdb=" SG CYSPX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSPY 202 " - pdb=" SG CYSPY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSPZ 302 " - pdb=" SG CYSPZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSP0 402 " - pdb=" SG CYSP0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSP1 502 " - pdb=" SG CYSP1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSP2 602 " - pdb=" SG CYSP2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSP3 702 " - pdb=" SG CYSP3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSP4 2 " - pdb=" SG CYSP4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSP5 102 " - pdb=" SG CYSP5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSP6 202 " - pdb=" SG CYSP6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSP7 302 " - pdb=" SG CYSP7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSP8 402 " - pdb=" SG CYSP8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSP9 502 " - pdb=" SG CYSP9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSQA 602 " - pdb=" SG CYSQA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSQB 702 " - pdb=" SG CYSQB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSQC 2 " - pdb=" SG CYSQC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSQD 102 " - pdb=" SG CYSQD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSQE 202 " - pdb=" SG CYSQE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSQF 302 " - pdb=" SG CYSQF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSQG 402 " - pdb=" SG CYSQG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSQH 502 " - pdb=" SG CYSQH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSQI 602 " - pdb=" SG CYSQI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSQJ 702 " - pdb=" SG CYSQJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSQK 2 " - pdb=" SG CYSQK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSQL 102 " - pdb=" SG CYSQL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSQM 202 " - pdb=" SG CYSQM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSQN 302 " - pdb=" SG CYSQN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSQO 402 " - pdb=" SG CYSQO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSQP 502 " - pdb=" SG CYSQP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSQQ 602 " - pdb=" SG CYSQQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSQR 702 " - pdb=" SG CYSQR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSQS 2 " - pdb=" SG CYSQS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSQT 102 " - pdb=" SG CYSQT 107 " distance=2.04 Simple disulfide: pdb=" SG CYSQU 202 " - pdb=" SG CYSQU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSQV 302 " - pdb=" SG CYSQV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSQW 402 " - pdb=" SG CYSQW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSQX 502 " - pdb=" SG CYSQX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSQY 602 " - pdb=" SG CYSQY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSQZ 702 " - pdb=" SG CYSQZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSQ0 2 " - pdb=" SG CYSQ0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSQ1 102 " - pdb=" SG CYSQ1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSQ2 202 " - pdb=" SG CYSQ2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSQ3 302 " - pdb=" SG CYSQ3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSQ4 402 " - pdb=" SG CYSQ4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSQ5 502 " - pdb=" SG CYSQ5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSQ6 602 " - pdb=" SG CYSQ6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSQ7 702 " - pdb=" SG CYSQ7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSQ8 2 " - pdb=" SG CYSQ8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSQ9 102 " - pdb=" SG CYSQ9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSRA 202 " - pdb=" SG CYSRA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSRB 302 " - pdb=" SG CYSRB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSRC 402 " - pdb=" SG CYSRC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSRD 502 " - pdb=" SG CYSRD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSRE 602 " - pdb=" SG CYSRE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSRF 702 " - pdb=" SG CYSRF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSRG 2 " - pdb=" SG CYSRG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSRH 102 " - pdb=" SG CYSRH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSRI 202 " - pdb=" SG CYSRI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSRJ 302 " - pdb=" SG CYSRJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSRK 402 " - pdb=" SG CYSRK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSRL 502 " - pdb=" SG CYSRL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSRM 602 " - pdb=" SG CYSRM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSRN 702 " - pdb=" SG CYSRN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSRO 2 " - pdb=" SG CYSRO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSRP 102 " - pdb=" SG CYSRP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSRQ 202 " - pdb=" SG CYSRQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSRR 302 " - pdb=" SG CYSRR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSRS 402 " - pdb=" SG CYSRS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSRT 502 " - pdb=" SG CYSRT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSRU 602 " - pdb=" SG CYSRU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSRV 702 " - pdb=" SG CYSRV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSRW 2 " - pdb=" SG CYSRW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSRX 102 " - pdb=" SG CYSRX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSRY 202 " - pdb=" SG CYSRY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSRZ 302 " - pdb=" SG CYSRZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSR0 402 " - pdb=" SG CYSR0 407 " distance=2.04 Simple disulfide: pdb=" SG CYSR1 502 " - pdb=" SG CYSR1 507 " distance=2.03 Simple disulfide: pdb=" SG CYSR2 602 " - pdb=" SG CYSR2 607 " distance=2.04 Simple disulfide: pdb=" SG CYSR3 702 " - pdb=" SG CYSR3 707 " distance=2.04 Simple disulfide: pdb=" SG CYSR4 2 " - pdb=" SG CYSR4 7 " distance=2.04 Simple disulfide: pdb=" SG CYSR5 102 " - pdb=" SG CYSR5 107 " distance=2.04 Simple disulfide: pdb=" SG CYSR6 202 " - pdb=" SG CYSR6 207 " distance=2.04 Simple disulfide: pdb=" SG CYSR7 302 " - pdb=" SG CYSR7 307 " distance=2.04 Simple disulfide: pdb=" SG CYSR8 402 " - pdb=" SG CYSR8 407 " distance=2.04 Simple disulfide: pdb=" SG CYSR9 502 " - pdb=" SG CYSR9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSSA 602 " - pdb=" SG CYSSA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSSB 702 " - pdb=" SG CYSSB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSSC 2 " - pdb=" SG CYSSC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSSD 102 " - pdb=" SG CYSSD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSSE 202 " - pdb=" SG CYSSE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSSF 302 " - pdb=" SG CYSSF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSSG 402 " - pdb=" SG CYSSG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSSH 502 " - pdb=" SG CYSSH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSSI 602 " - pdb=" SG CYSSI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSSJ 702 " - pdb=" SG CYSSJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSSK 2 " - pdb=" SG CYSSK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSSL 102 " - pdb=" SG CYSSL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSSM 202 " - pdb=" SG CYSSM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSSN 302 " - pdb=" SG CYSSN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSSO 402 " - pdb=" SG CYSSO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSSP 502 " - pdb=" SG CYSSP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSSQ 602 " - pdb=" SG CYSSQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSSR 702 " - pdb=" SG CYSSR 707 " distance=2.04 Simple disulfide: pdb=" SG CYSSS 2 " - pdb=" SG CYSSS 7 " distance=2.04 Simple disulfide: pdb=" SG CYSST 102 " - pdb=" SG CYSST 107 " distance=2.04 Simple disulfide: pdb=" SG CYSSU 202 " - pdb=" SG CYSSU 207 " distance=2.04 Simple disulfide: pdb=" SG CYSSV 302 " - pdb=" SG CYSSV 307 " distance=2.04 Simple disulfide: pdb=" SG CYSSW 402 " - pdb=" SG CYSSW 407 " distance=2.04 Simple disulfide: pdb=" SG CYSSX 502 " - pdb=" SG CYSSX 507 " distance=2.03 Simple disulfide: pdb=" SG CYSSY 602 " - pdb=" SG CYSSY 607 " distance=2.04 Simple disulfide: pdb=" SG CYSSZ 702 " - pdb=" SG CYSSZ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSS0 2 " - pdb=" SG CYSS0 7 " distance=2.04 Simple disulfide: pdb=" SG CYSS1 102 " - pdb=" SG CYSS1 107 " distance=2.04 Simple disulfide: pdb=" SG CYSS2 202 " - pdb=" SG CYSS2 207 " distance=2.04 Simple disulfide: pdb=" SG CYSS3 302 " - pdb=" SG CYSS3 307 " distance=2.04 Simple disulfide: pdb=" SG CYSS4 402 " - pdb=" SG CYSS4 407 " distance=2.04 Simple disulfide: pdb=" SG CYSS5 502 " - pdb=" SG CYSS5 507 " distance=2.03 Simple disulfide: pdb=" SG CYSS6 602 " - pdb=" SG CYSS6 607 " distance=2.04 Simple disulfide: pdb=" SG CYSS7 702 " - pdb=" SG CYSS7 707 " distance=2.04 Simple disulfide: pdb=" SG CYSS8 2 " - pdb=" SG CYSS8 7 " distance=2.04 Simple disulfide: pdb=" SG CYSS9 102 " - pdb=" SG CYSS9 107 " distance=2.04 Simple disulfide: pdb=" SG CYSTA 202 " - pdb=" SG CYSTA 207 " distance=2.04 Simple disulfide: pdb=" SG CYSTB 302 " - pdb=" SG CYSTB 307 " distance=2.04 Simple disulfide: pdb=" SG CYSTC 402 " - pdb=" SG CYSTC 407 " distance=2.04 Simple disulfide: pdb=" SG CYSTD 502 " - pdb=" SG CYSTD 507 " distance=2.03 Simple disulfide: pdb=" SG CYSTE 602 " - pdb=" SG CYSTE 607 " distance=2.04 Simple disulfide: pdb=" SG CYSTF 702 " - pdb=" SG CYSTF 707 " distance=2.04 Simple disulfide: pdb=" SG CYSTG 2 " - pdb=" SG CYSTG 7 " distance=2.04 Simple disulfide: pdb=" SG CYSTH 102 " - pdb=" SG CYSTH 107 " distance=2.04 Simple disulfide: pdb=" SG CYSTI 202 " - pdb=" SG CYSTI 207 " distance=2.04 Simple disulfide: pdb=" SG CYSTJ 302 " - pdb=" SG CYSTJ 307 " distance=2.04 Simple disulfide: pdb=" SG CYSTK 402 " - pdb=" SG CYSTK 407 " distance=2.04 Simple disulfide: pdb=" SG CYSTL 502 " - pdb=" SG CYSTL 507 " distance=2.03 Simple disulfide: pdb=" SG CYSTM 602 " - pdb=" SG CYSTM 607 " distance=2.04 Simple disulfide: pdb=" SG CYSTN 702 " - pdb=" SG CYSTN 707 " distance=2.04 Simple disulfide: pdb=" SG CYSTO 2 " - pdb=" SG CYSTO 7 " distance=2.04 Simple disulfide: pdb=" SG CYSTP 102 " - pdb=" SG CYSTP 107 " distance=2.04 Simple disulfide: pdb=" SG CYSTQ 202 " - pdb=" SG CYSTQ 207 " distance=2.04 Simple disulfide: pdb=" SG CYSTR 302 " - pdb=" SG CYSTR 307 " distance=2.04 Simple disulfide: pdb=" SG CYSTS 402 " - pdb=" SG CYSTS 407 " distance=2.04 Simple disulfide: pdb=" SG CYSTT 502 " - pdb=" SG CYSTT 507 " distance=2.03 Simple disulfide: pdb=" SG CYSTU 602 " - pdb=" SG CYSTU 607 " distance=2.04 Simple disulfide: pdb=" SG CYSTV 702 " - pdb=" SG CYSTV 707 " distance=2.04 Simple disulfide: pdb=" SG CYSTW 2 " - pdb=" SG CYSTW 7 " distance=2.04 Simple disulfide: pdb=" SG CYSTX 102 " - pdb=" SG CYSTX 107 " distance=2.04 Simple disulfide: pdb=" SG CYSTY 202 " - pdb=" SG CYSTY 207 " distance=2.04 Simple disulfide: pdb=" SG CYSTZ 302 " - pdb=" SG CYSTZ 307 " distance=2.04 Simple disulfide: pdb=" SG CYST0 402 " - pdb=" SG CYST0 407 " distance=2.04 Simple disulfide: pdb=" SG CYST1 502 " - pdb=" SG CYST1 507 " distance=2.03 Simple disulfide: pdb=" SG CYST2 602 " - pdb=" SG CYST2 607 " distance=2.04 Simple disulfide: pdb=" SG CYST3 702 " - pdb=" SG CYST3 707 " distance=2.04 Simple disulfide: pdb=" SG CYST4 2 " - pdb=" SG CYST4 7 " distance=2.04 Simple disulfide: pdb=" SG CYST5 102 " - pdb=" SG CYST5 107 " distance=2.04 Simple disulfide: pdb=" SG CYST6 202 " - pdb=" SG CYST6 207 " distance=2.04 Simple disulfide: pdb=" SG CYST7 302 " - pdb=" SG CYST7 307 " distance=2.04 Simple disulfide: pdb=" SG CYST8 402 " - pdb=" SG CYST8 407 " distance=2.04 Simple disulfide: pdb=" SG CYST9 502 " - pdb=" SG CYST9 507 " distance=2.03 Simple disulfide: pdb=" SG CYSUA 602 " - pdb=" SG CYSUA 607 " distance=2.04 Simple disulfide: pdb=" SG CYSUB 702 " - pdb=" SG CYSUB 707 " distance=2.04 Simple disulfide: pdb=" SG CYSUC 2 " - pdb=" SG CYSUC 7 " distance=2.04 Simple disulfide: pdb=" SG CYSUD 102 " - pdb=" SG CYSUD 107 " distance=2.04 Simple disulfide: pdb=" SG CYSUE 202 " - pdb=" SG CYSUE 207 " distance=2.04 Simple disulfide: pdb=" SG CYSUF 302 " - pdb=" SG CYSUF 307 " distance=2.04 Simple disulfide: pdb=" SG CYSUG 402 " - pdb=" SG CYSUG 407 " distance=2.04 Simple disulfide: pdb=" SG CYSUH 502 " - pdb=" SG CYSUH 507 " distance=2.03 Simple disulfide: pdb=" SG CYSUI 602 " - pdb=" SG CYSUI 607 " distance=2.04 Simple disulfide: pdb=" SG CYSUJ 702 " - pdb=" SG CYSUJ 707 " distance=2.04 Simple disulfide: pdb=" SG CYSUK 2 " - pdb=" SG CYSUK 7 " distance=2.04 Simple disulfide: pdb=" SG CYSUL 102 " - pdb=" SG CYSUL 107 " distance=2.04 Simple disulfide: pdb=" SG CYSUM 202 " - pdb=" SG CYSUM 207 " distance=2.04 Simple disulfide: pdb=" SG CYSUN 302 " - pdb=" SG CYSUN 307 " distance=2.04 Simple disulfide: pdb=" SG CYSUO 402 " - pdb=" SG CYSUO 407 " distance=2.04 Simple disulfide: pdb=" SG CYSUP 502 " - pdb=" SG CYSUP 507 " distance=2.03 Simple disulfide: pdb=" SG CYSUQ 602 " - pdb=" SG CYSUQ 607 " distance=2.04 Simple disulfide: pdb=" SG CYSUR 702 " - pdb=" SG CYSUR 707 " distance=2.04 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=432, symmetry=0 Number of additional bonds: simple=432, symmetry=0 Coordination: Other bonds: Time building additional restraints: 21.97 Conformation dependent library (CDL) restraints added in 2.2 seconds 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Skipped Input residue name is d-peptide pdb=" CB DTR A 4 " pdb=" CB DTR B 104 " pdb=" CB DTR C 204 " pdb=" CB DTR D 304 " pdb=" CB DTR E 404 " pdb=" CB DTR F 504 " pdb=" CB DTR G 604 " pdb=" CB DTR H 704 " pdb=" CB DTR I 4 " pdb=" CB DTR J 104 " pdb=" CB DTR K 204 " pdb=" CB DTR L 304 " pdb=" CB DTR M 404 " pdb=" CB DTR N 504 " pdb=" CB DTR O 604 " pdb=" CB DTR P 704 " pdb=" CB DTR Q 4 " pdb=" CB DTR R 104 " pdb=" CB DTR S 204 " pdb=" CB DTR T 304 " pdb=" CB DTR U 404 " pdb=" CB DTR V 504 " pdb=" CB DTR W 604 " pdb=" CB DTR X 704 " pdb=" CB DTR Y 4 " pdb=" CB DTR Z 104 " pdb=" CB DTR 0 204 " pdb=" CB DTR 1 304 " pdb=" CB DTR 2 404 " pdb=" CB DTR 3 504 " pdb=" CB DTR 4 604 " pdb=" CB DTR 5 704 " pdb=" CB DTR 6 4 " pdb=" CB DTR 7 104 " pdb=" CB DTR 8 204 " pdb=" CB DTR 9 304 " pdb=" CB DTR a 404 " pdb=" CB DTR b 504 " pdb=" CB DTR c 604 " pdb=" CB DTR d 704 " pdb=" CB DTR e 4 " pdb=" CB DTR f 104 " pdb=" CB DTR g 204 " pdb=" CB DTR h 304 " pdb=" CB DTR i 404 " pdb=" CB DTR j 504 " pdb=" CB DTR k 604 " pdb=" CB DTR l 704 " pdb=" CB DTR m 4 " pdb=" CB DTR n 104 " pdb=" CB DTR o 204 " pdb=" CB DTR p 304 " pdb=" CB DTR q 404 " pdb=" CB DTR r 504 " pdb=" CB DTR s 604 " pdb=" CB DTR t 704 " pdb=" CB DTR u 4 " pdb=" CB DTR v 104 " pdb=" CB DTR w 204 " pdb=" CB DTR x 304 " pdb=" CB DTR y 404 " pdb=" CB DTR z 504 " pdb=" CB DTRAA 604 " pdb=" CB DTRAB 704 " pdb=" CB DTRAC 4 " pdb=" CB DTRAD 104 " pdb=" CB DTRAE 204 " pdb=" CB DTRAF 304 " pdb=" CB DTRAG 404 " pdb=" CB DTRAH 504 " pdb=" CB DTRAI 604 " pdb=" CB DTRAJ 704 " pdb=" CB DTRAK 4 " pdb=" CB DTRAL 104 " pdb=" CB DTRAM 204 " pdb=" CB DTRAN 304 " pdb=" CB DTRAO 404 " pdb=" CB DTRAP 504 " pdb=" CB DTRAQ 604 " pdb=" CB DTRAR 704 " pdb=" CB DTRAS 4 " pdb=" CB DTRAT 104 " pdb=" CB DTRAU 204 " pdb=" CB DTRAV 304 " pdb=" CB DTRAW 404 " pdb=" CB DTRAX 504 " pdb=" CB DTRAY 604 " pdb=" CB DTRAZ 704 " pdb=" CB DTRA0 4 " pdb=" CB DTRA1 104 " pdb=" CB DTRA2 204 " pdb=" CB DTRA3 304 " pdb=" CB DTRA4 404 " pdb=" CB DTRA5 504 " pdb=" CB DTRA6 604 " pdb=" CB DTRA7 704 " pdb=" CB DTRA8 4 " pdb=" CB DTRA9 104 " pdb=" CB DTRBA 204 " pdb=" CB DTRBB 304 " pdb=" CB DTRBC 404 " pdb=" CB DTRBD 504 " pdb=" CB DTRBE 604 " pdb=" CB DTRBF 704 " pdb=" CB DTRBG 4 " pdb=" CB DTRBH 104 " pdb=" CB DTRBI 204 " pdb=" CB DTRBJ 304 " pdb=" CB DTRBK 404 " pdb=" CB DTRBL 504 " pdb=" CB DTRBM 604 " pdb=" CB DTRBN 704 " pdb=" CB DTRBO 4 " pdb=" CB DTRBP 104 " pdb=" CB DTRBQ 204 " pdb=" CB DTRBR 304 " pdb=" CB DTRBS 404 " pdb=" CB DTRBT 504 " pdb=" CB DTRBU 604 " pdb=" CB DTRBV 704 " pdb=" CB DTRBW 4 " pdb=" CB DTRBX 104 " pdb=" CB DTRBY 204 " pdb=" CB DTRBZ 304 " pdb=" CB DTRB0 404 " pdb=" CB DTRB1 504 " pdb=" CB DTRB2 604 " pdb=" CB DTRB3 704 " pdb=" CB DTRB4 4 " pdb=" CB DTRB5 104 " pdb=" CB DTRB6 204 " pdb=" CB DTRB7 304 " pdb=" CB DTRB8 404 " pdb=" CB DTRB9 504 " pdb=" CB DTRCA 604 " pdb=" CB DTRCB 704 " pdb=" CB DTRCC 4 " pdb=" CB DTRCD 104 " pdb=" CB DTRCE 204 " pdb=" CB DTRCF 304 " pdb=" CB DTRCG 404 " pdb=" CB DTRCH 504 " pdb=" CB DTRCI 604 " pdb=" CB DTRCJ 704 " pdb=" CB DTRCK 4 " pdb=" CB DTRCL 104 " pdb=" CB DTRCM 204 " pdb=" CB DTRCN 304 " pdb=" CB DTRCO 404 " pdb=" CB DTRCP 504 " pdb=" CB DTRCQ 604 " pdb=" CB DTRCR 704 " pdb=" CB DTRCS 4 " pdb=" CB DTRCT 104 " pdb=" CB DTRCU 204 " pdb=" CB DTRCV 304 " pdb=" CB DTRCW 404 " pdb=" CB DTRCX 504 " pdb=" CB DTRCY 604 " pdb=" CB DTRCZ 704 " pdb=" CB DTRC0 4 " pdb=" CB DTRC1 104 " pdb=" CB DTRC2 204 " pdb=" CB DTRC3 304 " pdb=" CB DTRC4 404 " pdb=" CB DTRC5 504 " pdb=" CB DTRC6 604 " pdb=" CB DTRC7 704 " pdb=" CB DTRC8 4 " pdb=" CB DTRC9 104 " pdb=" CB DTRDA 204 " pdb=" CB DTRDB 304 " pdb=" CB DTRDC 404 " pdb=" CB DTRDD 504 " pdb=" CB DTRDE 604 " pdb=" CB DTRDF 704 " pdb=" CB DTRDG 4 " pdb=" CB DTRDH 104 " pdb=" CB DTRDI 204 " pdb=" CB DTRDJ 304 " pdb=" CB DTRDK 404 " pdb=" CB DTRDL 504 " pdb=" CB DTRDM 604 " pdb=" CB DTRDN 704 " pdb=" CB DTRDO 4 " pdb=" CB DTRDP 104 " pdb=" CB DTRDQ 204 " pdb=" CB DTRDR 304 " pdb=" CB DTRDS 404 " pdb=" CB DTRDT 504 " pdb=" CB DTRDU 604 " pdb=" CB DTRDV 704 " pdb=" CB DTRDW 4 " pdb=" CB DTRDX 104 " pdb=" CB DTRDY 204 " pdb=" CB DTRDZ 304 " pdb=" CB DTRD0 404 " pdb=" CB DTRD1 504 " pdb=" CB DTRD2 604 " pdb=" CB DTRD3 704 " pdb=" CB DTRD4 4 " pdb=" CB DTRD5 104 " pdb=" CB DTRD6 204 " pdb=" CB DTRD7 304 " pdb=" CB DTRD8 404 " pdb=" CB DTRD9 504 " pdb=" CB DTREA 604 " pdb=" CB DTREB 704 " pdb=" CB DTREC 4 " pdb=" CB DTRED 104 " pdb=" CB DTREE 204 " pdb=" CB DTREF 304 " pdb=" CB DTREG 404 " pdb=" CB DTREH 504 " pdb=" CB DTREI 604 " pdb=" CB DTREJ 704 " pdb=" CB DTREK 4 " pdb=" CB DTREL 104 " pdb=" CB DTREM 204 " pdb=" CB DTREN 304 " pdb=" CB DTREO 404 " pdb=" CB DTREP 504 " pdb=" CB DTREQ 604 " pdb=" CB DTRER 704 " pdb=" CB DTRES 4 " pdb=" CB DTRET 104 " pdb=" CB DTREU 204 " pdb=" CB DTREV 304 " pdb=" CB DTREW 404 " pdb=" CB DTREX 504 " pdb=" CB DTREY 604 " pdb=" CB DTREZ 704 " pdb=" CB DTRE0 4 " pdb=" CB DTRE1 104 " pdb=" CB DTRE2 204 " pdb=" CB DTRE3 304 " pdb=" CB DTRE4 404 " pdb=" CB DTRE5 504 " pdb=" CB DTRE6 604 " pdb=" CB DTRE7 704 " pdb=" CB DTRE8 4 " pdb=" CB DTRE9 104 " pdb=" CB DTRFA 204 " pdb=" CB DTRFB 304 " pdb=" CB DTRFC 404 " pdb=" CB DTRFD 504 " pdb=" CB DTRFE 604 " pdb=" CB DTRFF 704 " pdb=" CB DTRFG 4 " pdb=" CB DTRFH 104 " pdb=" CB DTRFI 204 " pdb=" CB DTRFJ 304 " pdb=" CB DTRFK 404 " pdb=" CB DTRFL 504 " pdb=" CB DTRFM 604 " pdb=" CB DTRFN 704 " pdb=" CB DTRFO 4 " pdb=" CB DTRFP 104 " pdb=" CB DTRFQ 204 " pdb=" CB DTRFR 304 " pdb=" CB DTRFS 404 " pdb=" CB DTRFT 504 " pdb=" CB DTRFU 604 " pdb=" CB DTRFV 704 " pdb=" CB DTRFW 4 " pdb=" CB DTRFX 104 " pdb=" CB DTRFY 204 " pdb=" CB DTRFZ 304 " pdb=" CB DTRF0 404 " pdb=" CB DTRF1 504 " pdb=" CB DTRF2 604 " pdb=" CB DTRF3 704 " pdb=" CB DTRF4 4 " pdb=" CB DTRF5 104 " pdb=" CB DTRF6 204 " pdb=" CB DTRF7 304 " pdb=" CB DTRF8 404 " pdb=" CB DTRF9 504 " pdb=" CB DTRGA 604 " pdb=" CB DTRGB 704 " pdb=" CB DTRGC 4 " pdb=" CB DTRGD 104 " pdb=" CB DTRGE 204 " pdb=" CB DTRGF 304 " pdb=" CB DTRGG 404 " pdb=" CB DTRGH 504 " pdb=" CB DTRGI 604 " pdb=" CB DTRGJ 704 " pdb=" CB DTRGK 4 " pdb=" CB DTRGL 104 " pdb=" CB DTRGM 204 " pdb=" CB DTRGN 304 " pdb=" CB DTRGO 404 " pdb=" CB DTRGP 504 " pdb=" CB DTRGQ 604 " pdb=" CB DTRGR 704 " pdb=" CB DTRGS 4 " pdb=" CB DTRGT 104 " pdb=" CB DTRGU 204 " pdb=" CB DTRGV 304 " pdb=" CB DTRGW 404 " pdb=" CB DTRGX 504 " pdb=" CB DTRGY 604 " pdb=" CB DTRGZ 704 " pdb=" CB DTRG0 4 " pdb=" CB DTRG1 104 " pdb=" CB DTRG2 204 " pdb=" CB DTRG3 304 " pdb=" CB DTRG4 404 " pdb=" CB DTRG5 504 " pdb=" CB DTRG6 604 " pdb=" CB DTRG7 704 " pdb=" CB DTRG8 4 " pdb=" CB DTRG9 104 " pdb=" CB DTRHA 204 " pdb=" CB DTRHB 304 " pdb=" CB DTRHC 404 " pdb=" CB DTRHD 504 " pdb=" CB DTRHE 604 " pdb=" CB DTRHF 704 " pdb=" CB DTRHG 4 " pdb=" CB DTRHH 104 " pdb=" CB DTRHI 204 " pdb=" CB DTRHJ 304 " pdb=" CB DTRHK 404 " pdb=" CB DTRHL 504 " pdb=" CB DTRHM 604 " pdb=" CB DTRHN 704 " pdb=" CB DTRHO 4 " pdb=" CB DTRHP 104 " pdb=" CB DTRHQ 204 " pdb=" CB DTRHR 304 " pdb=" CB DTRHS 404 " pdb=" CB DTRHT 504 " pdb=" CB DTRHU 604 " pdb=" CB DTRHV 704 " pdb=" CB DTRHW 4 " pdb=" CB DTRHX 104 " pdb=" CB DTRHY 204 " pdb=" CB DTRHZ 304 " pdb=" CB DTRH0 404 " pdb=" CB DTRH1 504 " pdb=" CB DTRH2 604 " pdb=" CB DTRH3 704 " pdb=" CB DTRH4 4 " pdb=" CB DTRH5 104 " pdb=" CB DTRH6 204 " pdb=" CB DTRH7 304 " pdb=" CB DTRH8 404 " pdb=" CB DTRH9 504 " pdb=" CB DTRIA 604 " pdb=" CB DTRIB 704 " pdb=" CB DTRIC 4 " pdb=" CB DTRID 104 " pdb=" CB DTRIE 204 " pdb=" CB DTRIF 304 " pdb=" CB DTRIG 404 " pdb=" CB DTRIH 504 " pdb=" CB DTRII 604 " pdb=" CB DTRIJ 704 " pdb=" CB DTRIK 4 " pdb=" CB DTRIL 104 " pdb=" CB DTRIM 204 " pdb=" CB DTRIN 304 " pdb=" CB DTRIO 404 " pdb=" CB DTRIP 504 " pdb=" CB DTRIQ 604 " pdb=" CB DTRIR 704 " pdb=" CB DTRIS 4 " pdb=" CB DTRIT 104 " pdb=" CB DTRIU 204 " pdb=" CB DTRIV 304 " pdb=" CB DTRIW 404 " pdb=" CB DTRIX 504 " pdb=" CB DTRIY 604 " pdb=" CB DTRIZ 704 " pdb=" CB DTRI0 4 " pdb=" CB DTRI1 104 " pdb=" CB DTRI2 204 " pdb=" CB DTRI3 304 " pdb=" CB DTRI4 404 " pdb=" CB DTRI5 504 " pdb=" CB DTRI6 604 " pdb=" CB DTRI7 704 " pdb=" CB DTRI8 4 " pdb=" CB DTRI9 104 " pdb=" CB DTRJA 204 " pdb=" CB DTRJB 304 " pdb=" CB DTRJC 404 " pdb=" CB DTRJD 504 " pdb=" CB DTRJE 604 " pdb=" CB DTRJF 704 " pdb=" CB DTRJG 4 " pdb=" CB DTRJH 104 " pdb=" CB DTRJI 204 " pdb=" CB DTRJJ 304 " pdb=" CB DTRJK 404 " pdb=" CB DTRJL 504 " pdb=" CB DTRJM 604 " pdb=" CB DTRJN 704 " pdb=" CB DTRJO 4 " pdb=" CB DTRJP 104 " pdb=" CB DTRJQ 204 " pdb=" CB DTRJR 304 " pdb=" CB DTRJS 404 " pdb=" CB DTRJT 504 " pdb=" CB DTRJU 604 " pdb=" CB DTRJV 704 " pdb=" CB DTRJW 4 " pdb=" CB DTRJX 104 " pdb=" CB DTRJY 204 " pdb=" CB DTRJZ 304 " pdb=" CB DTRJ0 404 " pdb=" CB DTRJ1 504 " pdb=" CB DTRJ2 604 " pdb=" CB DTRJ3 704 " pdb=" CB DTRJ4 4 " pdb=" CB DTRJ5 104 " pdb=" CB DTRJ6 204 " pdb=" CB DTRJ7 304 " pdb=" CB DTRJ8 404 " pdb=" CB DTRJ9 504 " pdb=" CB DTRKA 604 " pdb=" CB DTRKB 704 " pdb=" CB DTRKC 4 " pdb=" CB DTRKD 104 " pdb=" CB DTRKE 204 " pdb=" CB DTRKF 304 " pdb=" CB DTRKG 404 " pdb=" CB DTRKH 504 " pdb=" CB DTRKI 604 " pdb=" CB DTRKJ 704 " pdb=" CB DTRKK 4 " pdb=" CB DTRKL 104 " pdb=" CB DTRKM 204 " pdb=" CB DTRKN 304 " pdb=" CB DTRKO 404 " pdb=" CB DTRKP 504 " pdb=" CB DTRKQ 604 " pdb=" CB DTRKR 704 " pdb=" CB DTRKS 4 " pdb=" CB DTRKT 104 " pdb=" CB DTRKU 204 " pdb=" CB DTRKV 304 " pdb=" CB DTRKW 404 " pdb=" CB DTRKX 504 " pdb=" CB DTRKY 604 " pdb=" CB DTRKZ 704 " pdb=" CB DTRK0 4 " pdb=" CB DTRK1 104 " pdb=" CB DTRK2 204 " pdb=" CB DTRK3 304 " pdb=" CB DTRK4 404 " pdb=" CB DTRK5 504 " pdb=" CB DTRK6 604 " pdb=" CB DTRK7 704 " pdb=" CB DTRK8 4 " pdb=" CB DTRK9 104 " pdb=" CB DTRLA 204 " pdb=" CB DTRLB 304 " pdb=" CB DTRLC 404 " pdb=" CB DTRLD 504 " pdb=" CB DTRLE 604 " pdb=" CB DTRLF 704 " pdb=" CB DTRLG 4 " pdb=" CB DTRLH 104 " pdb=" CB DTRLI 204 " pdb=" CB DTRLJ 304 " pdb=" CB DTRLK 404 " pdb=" CB DTRLL 504 " pdb=" CB DTRLM 604 " pdb=" CB DTRLN 704 " pdb=" CB DTRLO 4 " pdb=" CB DTRLP 104 " pdb=" CB DTRLQ 204 " pdb=" CB DTRLR 304 " pdb=" CB DTRLS 404 " pdb=" CB DTRLT 504 " pdb=" CB DTRLU 604 " pdb=" CB DTRLV 704 " pdb=" CB DTRLW 4 " pdb=" CB DTRLX 104 " pdb=" CB DTRLY 204 " pdb=" CB DTRLZ 304 " pdb=" CB DTRL0 404 " pdb=" CB DTRL1 504 " pdb=" CB DTRL2 604 " pdb=" CB DTRL3 704 " pdb=" CB DTRL4 4 " pdb=" CB DTRL5 104 " pdb=" CB DTRL6 204 " pdb=" CB DTRL7 304 " pdb=" CB DTRL8 404 " pdb=" CB DTRL9 504 " pdb=" CB DTRMA 604 " pdb=" CB DTRMB 704 " pdb=" CB DTRMC 4 " pdb=" CB DTRMD 104 " pdb=" CB DTRME 204 " pdb=" CB DTRMF 304 " pdb=" CB DTRMG 404 " pdb=" CB DTRMH 504 " pdb=" CB DTRMI 604 " pdb=" CB DTRMJ 704 " pdb=" CB DTRMK 4 " pdb=" CB DTRML 104 " pdb=" CB DTRMM 204 " pdb=" CB DTRMN 304 " pdb=" CB DTRMO 404 " pdb=" CB DTRMP 504 " pdb=" CB DTRMQ 604 " pdb=" CB DTRMR 704 " pdb=" CB DTRMS 4 " pdb=" CB DTRMT 104 " pdb=" CB DTRMU 204 " pdb=" CB DTRMV 304 " pdb=" CB DTRMW 404 " pdb=" CB DTRMX 504 " pdb=" CB DTRMY 604 " pdb=" CB DTRMZ 704 " pdb=" CB DTRM0 4 " pdb=" CB DTRM1 104 " pdb=" CB DTRM2 204 " pdb=" CB DTRM3 304 " pdb=" CB DTRM4 404 " pdb=" CB DTRM5 504 " pdb=" CB DTRM6 604 " pdb=" CB DTRM7 704 " pdb=" CB DTRM8 4 " pdb=" CB DTRM9 104 " pdb=" CB DTRNA 204 " pdb=" CB DTRNB 304 " pdb=" CB DTRNC 404 " pdb=" CB DTRND 504 " pdb=" CB DTRNE 604 " pdb=" CB DTRNF 704 " pdb=" CB DTRNG 4 " pdb=" CB DTRNH 104 " pdb=" CB DTRNI 204 " pdb=" CB DTRNJ 304 " pdb=" CB DTRNK 404 " pdb=" CB DTRNL 504 " pdb=" CB DTRNM 604 " pdb=" CB DTRNN 704 " pdb=" CB DTRNO 4 " pdb=" CB DTRNP 104 " pdb=" CB DTRNQ 204 " pdb=" CB DTRNR 304 " pdb=" CB DTRNS 404 " pdb=" CB DTRNT 504 " pdb=" CB DTRNU 604 " pdb=" CB DTRNV 704 " pdb=" CB DTRNW 4 " pdb=" CB DTRNX 104 " pdb=" CB DTRNY 204 " pdb=" CB DTRNZ 304 " pdb=" CB DTRN0 404 " pdb=" CB DTRN1 504 " pdb=" CB DTRN2 604 " pdb=" CB DTRN3 704 " pdb=" CB DTRN4 4 " pdb=" CB DTRN5 104 " pdb=" CB DTRN6 204 " pdb=" CB DTRN7 304 " pdb=" CB DTRN8 404 " pdb=" CB DTRN9 504 " pdb=" CB DTROA 604 " pdb=" CB DTROB 704 " pdb=" CB DTROC 4 " pdb=" CB DTROD 104 " pdb=" CB DTROE 204 " pdb=" CB DTROF 304 " pdb=" CB DTROG 404 " pdb=" CB DTROH 504 " pdb=" CB DTROI 604 " pdb=" CB DTROJ 704 " pdb=" CB DTROK 4 " pdb=" CB DTROL 104 " pdb=" CB DTROM 204 " pdb=" CB DTRON 304 " pdb=" CB DTROO 404 " pdb=" CB DTROP 504 " pdb=" CB DTROQ 604 " pdb=" CB DTROR 704 " pdb=" CB DTROS 4 " pdb=" CB DTROT 104 " pdb=" CB DTROU 204 " pdb=" CB DTROV 304 " pdb=" CB DTROW 404 " pdb=" CB DTROX 504 " pdb=" CB DTROY 604 " pdb=" CB DTROZ 704 " pdb=" CB DTRO0 4 " pdb=" CB DTRO1 104 " pdb=" CB DTRO2 204 " pdb=" CB DTRO3 304 " pdb=" CB DTRO4 404 " pdb=" CB DTRO5 504 " pdb=" CB DTRO6 604 " pdb=" CB DTRO7 704 " pdb=" CB DTRO8 4 " pdb=" CB DTRO9 104 " pdb=" CB DTRPA 204 " pdb=" CB DTRPB 304 " pdb=" CB DTRPC 404 " pdb=" CB DTRPD 504 " pdb=" CB DTRPE 604 " pdb=" CB DTRPF 704 " pdb=" CB DTRPG 4 " pdb=" CB DTRPH 104 " pdb=" CB DTRPI 204 " pdb=" CB DTRPJ 304 " pdb=" CB DTRPK 404 " pdb=" CB DTRPL 504 " pdb=" CB DTRPM 604 " pdb=" CB DTRPN 704 " pdb=" CB DTRPO 4 " pdb=" CB DTRPP 104 " pdb=" CB DTRPQ 204 " pdb=" CB DTRPR 304 " pdb=" CB DTRPS 404 " pdb=" CB DTRPT 504 " pdb=" CB DTRPU 604 " pdb=" CB DTRPV 704 " pdb=" CB DTRPW 4 " pdb=" CB DTRPX 104 " pdb=" CB DTRPY 204 " pdb=" CB DTRPZ 304 " pdb=" CB DTRP0 404 " pdb=" CB DTRP1 504 " pdb=" CB DTRP2 604 " pdb=" CB DTRP3 704 " pdb=" CB DTRP4 4 " pdb=" CB DTRP5 104 " pdb=" CB DTRP6 204 " pdb=" CB DTRP7 304 " pdb=" CB DTRP8 404 " pdb=" CB DTRP9 504 " pdb=" CB DTRQA 604 " pdb=" CB DTRQB 704 " pdb=" CB DTRQC 4 " pdb=" CB DTRQD 104 " pdb=" CB DTRQE 204 " pdb=" CB DTRQF 304 " pdb=" CB DTRQG 404 " pdb=" CB DTRQH 504 " pdb=" CB DTRQI 604 " pdb=" CB DTRQJ 704 " pdb=" CB DTRQK 4 " pdb=" CB DTRQL 104 " pdb=" CB DTRQM 204 " pdb=" CB DTRQN 304 " pdb=" CB DTRQO 404 " pdb=" CB DTRQP 504 " pdb=" CB DTRQQ 604 " pdb=" CB DTRQR 704 " pdb=" CB DTRQS 4 " pdb=" CB DTRQT 104 " pdb=" CB DTRQU 204 " pdb=" CB DTRQV 304 " pdb=" CB DTRQW 404 " pdb=" CB DTRQX 504 " pdb=" CB DTRQY 604 " pdb=" CB DTRQZ 704 " pdb=" CB DTRQ0 4 " pdb=" CB DTRQ1 104 " pdb=" CB DTRQ2 204 " pdb=" CB DTRQ3 304 " pdb=" CB DTRQ4 404 " pdb=" CB DTRQ5 504 " pdb=" CB DTRQ6 604 " pdb=" CB DTRQ7 704 " pdb=" CB DTRQ8 4 " pdb=" CB DTRQ9 104 " pdb=" CB DTRRA 204 " pdb=" CB DTRRB 304 " pdb=" CB DTRRC 404 " pdb=" CB DTRRD 504 " pdb=" CB DTRRE 604 " pdb=" CB DTRRF 704 " pdb=" CB DTRRG 4 " pdb=" CB DTRRH 104 " pdb=" CB DTRRI 204 " pdb=" CB DTRRJ 304 " pdb=" CB DTRRK 404 " pdb=" CB DTRRL 504 " pdb=" CB DTRRM 604 " pdb=" CB DTRRN 704 " pdb=" CB DTRRO 4 " pdb=" CB DTRRP 104 " pdb=" CB DTRRQ 204 " pdb=" CB DTRRR 304 " pdb=" CB DTRRS 404 " pdb=" CB DTRRT 504 " pdb=" CB DTRRU 604 " pdb=" CB DTRRV 704 " pdb=" CB DTRRW 4 " pdb=" CB DTRRX 104 " pdb=" CB DTRRY 204 " pdb=" CB DTRRZ 304 " pdb=" CB DTRR0 404 " pdb=" CB DTRR1 504 " pdb=" CB DTRR2 604 " pdb=" CB DTRR3 704 " pdb=" CB DTRR4 4 " pdb=" CB DTRR5 104 " pdb=" CB DTRR6 204 " pdb=" CB DTRR7 304 " pdb=" CB DTRR8 404 " pdb=" CB DTRR9 504 " pdb=" CB DTRSA 604 " pdb=" CB DTRSB 704 " pdb=" CB DTRSC 4 " pdb=" CB DTRSD 104 " pdb=" CB DTRSE 204 " pdb=" CB DTRSF 304 " pdb=" CB DTRSG 404 " pdb=" CB DTRSH 504 " pdb=" CB DTRSI 604 " pdb=" CB DTRSJ 704 " pdb=" CB DTRSK 4 " pdb=" CB DTRSL 104 " pdb=" CB DTRSM 204 " pdb=" CB DTRSN 304 " pdb=" CB DTRSO 404 " pdb=" CB DTRSP 504 " pdb=" CB DTRSQ 604 " pdb=" CB DTRSR 704 " pdb=" CB DTRSS 4 " pdb=" CB DTRST 104 " pdb=" CB DTRSU 204 " pdb=" CB DTRSV 304 " pdb=" CB DTRSW 404 " pdb=" CB DTRSX 504 " pdb=" CB DTRSY 604 " pdb=" CB DTRSZ 704 " pdb=" CB DTRS0 4 " pdb=" CB DTRS1 104 " pdb=" CB DTRS2 204 " pdb=" CB DTRS3 304 " pdb=" CB DTRS4 404 " pdb=" CB DTRS5 504 " pdb=" CB DTRS6 604 " pdb=" CB DTRS7 704 " pdb=" CB DTRS8 4 " pdb=" CB DTRS9 104 " pdb=" CB DTRTA 204 " pdb=" CB DTRTB 304 " pdb=" CB DTRTC 404 " pdb=" CB DTRTD 504 " pdb=" CB DTRTE 604 " pdb=" CB DTRTF 704 " pdb=" CB DTRTG 4 " pdb=" CB DTRTH 104 " pdb=" CB DTRTI 204 " pdb=" CB DTRTJ 304 " pdb=" CB DTRTK 404 " pdb=" CB DTRTL 504 " pdb=" CB DTRTM 604 " pdb=" CB DTRTN 704 " pdb=" CB DTRTO 4 " pdb=" CB DTRTP 104 " pdb=" CB DTRTQ 204 " pdb=" CB DTRTR 304 " pdb=" CB DTRTS 404 " pdb=" CB DTRTT 504 " pdb=" CB DTRTU 604 " pdb=" CB DTRTV 704 " pdb=" CB DTRTW 4 " pdb=" CB DTRTX 104 " pdb=" CB DTRTY 204 " pdb=" CB DTRTZ 304 " pdb=" CB DTRT0 404 " pdb=" CB DTRT1 504 " pdb=" CB DTRT2 604 " pdb=" CB DTRT3 704 " pdb=" CB DTRT4 4 " pdb=" CB DTRT5 104 " pdb=" CB DTRT6 204 " pdb=" CB DTRT7 304 " pdb=" CB DTRT8 404 " pdb=" CB DTRT9 504 " pdb=" CB DTRUA 604 " pdb=" CB DTRUB 704 " pdb=" CB DTRUC 4 " pdb=" CB DTRUD 104 " pdb=" CB DTRUE 204 " pdb=" CB DTRUF 304 " pdb=" CB DTRUG 404 " pdb=" CB DTRUH 504 " pdb=" CB DTRUI 604 " pdb=" CB DTRUJ 704 " pdb=" CB DTRUK 4 " pdb=" CB DTRUL 104 " pdb=" CB DTRUM 204 " pdb=" CB DTRUN 304 " pdb=" CB DTRUO 404 " pdb=" CB DTRUP 504 " pdb=" CB DTRUQ 604 " pdb=" CB DTRUR 704 " Input volumes are d-peptide like pdb=" CB 4J2 A 1 " pdb=" CB 4J2 B 101 " pdb=" CB 4J2 C 201 " pdb=" CB 4J2 D 301 " pdb=" CB 4J2 E 401 " pdb=" CB 4J2 F 501 " pdb=" CB 4J2 G 601 " pdb=" CB 4J2 H 701 " pdb=" CB 4J2 I 1 " pdb=" CB 4J2 J 101 " pdb=" CB 4J2 K 201 " pdb=" CB 4J2 L 301 " pdb=" CB 4J2 M 401 " pdb=" CB 4J2 N 501 " pdb=" CB 4J2 O 601 " pdb=" CB 4J2 P 701 " pdb=" CB 4J2 Q 1 " pdb=" CB 4J2 R 101 " pdb=" CB 4J2 S 201 " pdb=" CB 4J2 T 301 " pdb=" CB 4J2 U 401 " pdb=" CB 4J2 V 501 " pdb=" CB 4J2 W 601 " pdb=" CB 4J2 X 701 " pdb=" CB 4J2 Y 1 " pdb=" CB 4J2 Z 101 " pdb=" CB 4J2 0 201 " pdb=" CB 4J2 1 301 " pdb=" CB 4J2 2 401 " pdb=" CB 4J2 3 501 " pdb=" CB 4J2 4 601 " pdb=" CB 4J2 5 701 " pdb=" CB 4J2 6 1 " pdb=" CB 4J2 7 101 " pdb=" CB 4J2 8 201 " pdb=" CB 4J2 9 301 " pdb=" CB 4J2 a 401 " pdb=" CB 4J2 b 501 " pdb=" CB 4J2 c 601 " pdb=" CB 4J2 d 701 " pdb=" CB 4J2 e 1 " pdb=" CB 4J2 f 101 " pdb=" CB 4J2 g 201 " pdb=" CB 4J2 h 301 " pdb=" CB 4J2 i 401 " pdb=" CB 4J2 j 501 " pdb=" CB 4J2 k 601 " pdb=" CB 4J2 l 701 " pdb=" CB 4J2 m 1 " pdb=" CB 4J2 n 101 " pdb=" CB 4J2 o 201 " pdb=" CB 4J2 p 301 " pdb=" CB 4J2 q 401 " pdb=" CB 4J2 r 501 " pdb=" CB 4J2 s 601 " pdb=" CB 4J2 t 701 " pdb=" CB 4J2 u 1 " pdb=" CB 4J2 v 101 " pdb=" CB 4J2 w 201 " pdb=" CB 4J2 x 301 " pdb=" CB 4J2 y 401 " pdb=" CB 4J2 z 501 " pdb=" CB 4J2AA 601 " pdb=" CB 4J2AB 701 " pdb=" CB 4J2AC 1 " pdb=" CB 4J2AD 101 " pdb=" CB 4J2AE 201 " pdb=" CB 4J2AF 301 " pdb=" CB 4J2AG 401 " pdb=" CB 4J2AH 501 " pdb=" CB 4J2AI 601 " pdb=" CB 4J2AJ 701 " pdb=" CB 4J2AK 1 " pdb=" CB 4J2AL 101 " pdb=" CB 4J2AM 201 " pdb=" CB 4J2AN 301 " pdb=" CB 4J2AO 401 " pdb=" CB 4J2AP 501 " pdb=" CB 4J2AQ 601 " pdb=" CB 4J2AR 701 " pdb=" CB 4J2AS 1 " pdb=" CB 4J2AT 101 " pdb=" CB 4J2AU 201 " pdb=" CB 4J2AV 301 " pdb=" CB 4J2AW 401 " pdb=" CB 4J2AX 501 " pdb=" CB 4J2AY 601 " pdb=" CB 4J2AZ 701 " pdb=" CB 4J2A0 1 " pdb=" CB 4J2A1 101 " pdb=" CB 4J2A2 201 " pdb=" CB 4J2A3 301 " pdb=" CB 4J2A4 401 " pdb=" CB 4J2A5 501 " pdb=" CB 4J2A6 601 " pdb=" CB 4J2A7 701 " pdb=" CB 4J2A8 1 " pdb=" CB 4J2A9 101 " pdb=" CB 4J2BA 201 " pdb=" CB 4J2BB 301 " pdb=" CB 4J2BC 401 " pdb=" CB 4J2BD 501 " pdb=" CB 4J2BE 601 " pdb=" CB 4J2BF 701 " pdb=" CB 4J2BG 1 " pdb=" CB 4J2BH 101 " pdb=" CB 4J2BI 201 " pdb=" CB 4J2BJ 301 " pdb=" CB 4J2BK 401 " pdb=" CB 4J2BL 501 " pdb=" CB 4J2BM 601 " pdb=" CB 4J2BN 701 " pdb=" CB 4J2BO 1 " pdb=" CB 4J2BP 101 " pdb=" CB 4J2BQ 201 " pdb=" CB 4J2BR 301 " pdb=" CB 4J2BS 401 " pdb=" CB 4J2BT 501 " pdb=" CB 4J2BU 601 " pdb=" CB 4J2BV 701 " pdb=" CB 4J2BW 1 " pdb=" CB 4J2BX 101 " pdb=" CB 4J2BY 201 " pdb=" CB 4J2BZ 301 " pdb=" CB 4J2B0 401 " pdb=" CB 4J2B1 501 " pdb=" CB 4J2B2 601 " pdb=" CB 4J2B3 701 " pdb=" CB 4J2B4 1 " pdb=" CB 4J2B5 101 " pdb=" CB 4J2B6 201 " pdb=" CB 4J2B7 301 " pdb=" CB 4J2B8 401 " pdb=" CB 4J2B9 501 " pdb=" CB 4J2CA 601 " pdb=" CB 4J2CB 701 " pdb=" CB 4J2CC 1 " pdb=" CB 4J2CD 101 " pdb=" CB 4J2CE 201 " pdb=" CB 4J2CF 301 " pdb=" CB 4J2CG 401 " pdb=" CB 4J2CH 501 " pdb=" CB 4J2CI 601 " pdb=" CB 4J2CJ 701 " pdb=" CB 4J2CK 1 " pdb=" CB 4J2CL 101 " pdb=" CB 4J2CM 201 " pdb=" CB 4J2CN 301 " pdb=" CB 4J2CO 401 " pdb=" CB 4J2CP 501 " pdb=" CB 4J2CQ 601 " pdb=" CB 4J2CR 701 " pdb=" CB 4J2CS 1 " pdb=" CB 4J2CT 101 " pdb=" CB 4J2CU 201 " pdb=" CB 4J2CV 301 " pdb=" CB 4J2CW 401 " pdb=" CB 4J2CX 501 " pdb=" CB 4J2CY 601 " pdb=" CB 4J2CZ 701 " pdb=" CB 4J2C0 1 " pdb=" CB 4J2C1 101 " pdb=" CB 4J2C2 201 " pdb=" CB 4J2C3 301 " pdb=" CB 4J2C4 401 " pdb=" CB 4J2C5 501 " pdb=" CB 4J2C6 601 " pdb=" CB 4J2C7 701 " pdb=" CB 4J2C8 1 " pdb=" CB 4J2C9 101 " pdb=" CB 4J2DA 201 " pdb=" CB 4J2DB 301 " pdb=" CB 4J2DC 401 " pdb=" CB 4J2DD 501 " pdb=" CB 4J2DE 601 " pdb=" CB 4J2DF 701 " pdb=" CB 4J2DG 1 " pdb=" CB 4J2DH 101 " pdb=" CB 4J2DI 201 " pdb=" CB 4J2DJ 301 " pdb=" CB 4J2DK 401 " pdb=" CB 4J2DL 501 " pdb=" CB 4J2DM 601 " pdb=" CB 4J2DN 701 " pdb=" CB 4J2DO 1 " pdb=" CB 4J2DP 101 " pdb=" CB 4J2DQ 201 " pdb=" CB 4J2DR 301 " pdb=" CB 4J2DS 401 " pdb=" CB 4J2DT 501 " pdb=" CB 4J2DU 601 " pdb=" CB 4J2DV 701 " pdb=" CB 4J2DW 1 " pdb=" CB 4J2DX 101 " pdb=" CB 4J2DY 201 " pdb=" CB 4J2DZ 301 " pdb=" CB 4J2D0 401 " pdb=" CB 4J2D1 501 " pdb=" CB 4J2D2 601 " pdb=" CB 4J2D3 701 " pdb=" CB 4J2D4 1 " pdb=" CB 4J2D5 101 " pdb=" CB 4J2D6 201 " pdb=" CB 4J2D7 301 " pdb=" CB 4J2D8 401 " pdb=" CB 4J2D9 501 " pdb=" CB 4J2EA 601 " pdb=" CB 4J2EB 701 " pdb=" CB 4J2EC 1 " pdb=" CB 4J2ED 101 " pdb=" CB 4J2EE 201 " pdb=" CB 4J2EF 301 " pdb=" CB 4J2EG 401 " pdb=" CB 4J2EH 501 " pdb=" CB 4J2EI 601 " pdb=" CB 4J2EJ 701 " pdb=" CB 4J2EK 1 " pdb=" CB 4J2EL 101 " pdb=" CB 4J2EM 201 " pdb=" CB 4J2EN 301 " pdb=" CB 4J2EO 401 " pdb=" CB 4J2EP 501 " pdb=" CB 4J2EQ 601 " pdb=" CB 4J2ER 701 " pdb=" CB 4J2ES 1 " pdb=" CB 4J2ET 101 " pdb=" CB 4J2EU 201 " pdb=" CB 4J2EV 301 " pdb=" CB 4J2EW 401 " pdb=" CB 4J2EX 501 " pdb=" CB 4J2EY 601 " pdb=" CB 4J2EZ 701 " pdb=" CB 4J2E0 1 " pdb=" CB 4J2E1 101 " pdb=" CB 4J2E2 201 " pdb=" CB 4J2E3 301 " pdb=" CB 4J2E4 401 " pdb=" CB 4J2E5 501 " pdb=" CB 4J2E6 601 " pdb=" CB 4J2E7 701 " pdb=" CB 4J2E8 1 " pdb=" CB 4J2E9 101 " pdb=" CB 4J2FA 201 " pdb=" CB 4J2FB 301 " pdb=" CB 4J2FC 401 " pdb=" CB 4J2FD 501 " pdb=" CB 4J2FE 601 " pdb=" CB 4J2FF 701 " pdb=" CB 4J2FG 1 " pdb=" CB 4J2FH 101 " pdb=" CB 4J2FI 201 " pdb=" CB 4J2FJ 301 " pdb=" CB 4J2FK 401 " pdb=" CB 4J2FL 501 " pdb=" CB 4J2FM 601 " pdb=" CB 4J2FN 701 " pdb=" CB 4J2FO 1 " pdb=" CB 4J2FP 101 " pdb=" CB 4J2FQ 201 " pdb=" CB 4J2FR 301 " pdb=" CB 4J2FS 401 " pdb=" CB 4J2FT 501 " pdb=" CB 4J2FU 601 " pdb=" CB 4J2FV 701 " pdb=" CB 4J2FW 1 " pdb=" CB 4J2FX 101 " pdb=" CB 4J2FY 201 " pdb=" CB 4J2FZ 301 " pdb=" CB 4J2F0 401 " pdb=" CB 4J2F1 501 " pdb=" CB 4J2F2 601 " pdb=" CB 4J2F3 701 " pdb=" CB 4J2F4 1 " pdb=" CB 4J2F5 101 " pdb=" CB 4J2F6 201 " pdb=" CB 4J2F7 301 " pdb=" CB 4J2F8 401 " pdb=" CB 4J2F9 501 " pdb=" CB 4J2GA 601 " pdb=" CB 4J2GB 701 " pdb=" CB 4J2GC 1 " pdb=" CB 4J2GD 101 " pdb=" CB 4J2GE 201 " pdb=" CB 4J2GF 301 " pdb=" CB 4J2GG 401 " pdb=" CB 4J2GH 501 " pdb=" CB 4J2GI 601 " pdb=" CB 4J2GJ 701 " pdb=" CB 4J2GK 1 " pdb=" CB 4J2GL 101 " pdb=" CB 4J2GM 201 " pdb=" CB 4J2GN 301 " pdb=" CB 4J2GO 401 " pdb=" CB 4J2GP 501 " pdb=" CB 4J2GQ 601 " pdb=" CB 4J2GR 701 " pdb=" CB 4J2GS 1 " pdb=" CB 4J2GT 101 " pdb=" CB 4J2GU 201 " pdb=" CB 4J2GV 301 " pdb=" CB 4J2GW 401 " pdb=" CB 4J2GX 501 " pdb=" CB 4J2GY 601 " pdb=" CB 4J2GZ 701 " pdb=" CB 4J2G0 1 " pdb=" CB 4J2G1 101 " pdb=" CB 4J2G2 201 " pdb=" CB 4J2G3 301 " pdb=" CB 4J2G4 401 " pdb=" CB 4J2G5 501 " pdb=" CB 4J2G6 601 " pdb=" CB 4J2G7 701 " pdb=" CB 4J2G8 1 " pdb=" CB 4J2G9 101 " pdb=" CB 4J2HA 201 " pdb=" CB 4J2HB 301 " pdb=" CB 4J2HC 401 " pdb=" CB 4J2HD 501 " pdb=" CB 4J2HE 601 " pdb=" CB 4J2HF 701 " pdb=" CB 4J2HG 1 " pdb=" CB 4J2HH 101 " pdb=" CB 4J2HI 201 " pdb=" CB 4J2HJ 301 " pdb=" CB 4J2HK 401 " pdb=" CB 4J2HL 501 " pdb=" CB 4J2HM 601 " pdb=" CB 4J2HN 701 " pdb=" CB 4J2HO 1 " pdb=" CB 4J2HP 101 " pdb=" CB 4J2HQ 201 " pdb=" CB 4J2HR 301 " pdb=" CB 4J2HS 401 " pdb=" CB 4J2HT 501 " pdb=" CB 4J2HU 601 " pdb=" CB 4J2HV 701 " pdb=" CB 4J2HW 1 " pdb=" CB 4J2HX 101 " pdb=" CB 4J2HY 201 " pdb=" CB 4J2HZ 301 " pdb=" CB 4J2H0 401 " pdb=" CB 4J2H1 501 " pdb=" CB 4J2H2 601 " pdb=" CB 4J2H3 701 " pdb=" CB 4J2H4 1 " pdb=" CB 4J2H5 101 " pdb=" CB 4J2H6 201 " pdb=" CB 4J2H7 301 " pdb=" CB 4J2H8 401 " pdb=" CB 4J2H9 501 " pdb=" CB 4J2IA 601 " pdb=" CB 4J2IB 701 " pdb=" CB 4J2IC 1 " pdb=" CB 4J2ID 101 " pdb=" CB 4J2IE 201 " pdb=" CB 4J2IF 301 " pdb=" CB 4J2IG 401 " pdb=" CB 4J2IH 501 " pdb=" CB 4J2II 601 " pdb=" CB 4J2IJ 701 " pdb=" CB 4J2IK 1 " pdb=" CB 4J2IL 101 " pdb=" CB 4J2IM 201 " pdb=" CB 4J2IN 301 " pdb=" CB 4J2IO 401 " pdb=" CB 4J2IP 501 " pdb=" CB 4J2IQ 601 " pdb=" CB 4J2IR 701 " pdb=" CB 4J2IS 1 " pdb=" CB 4J2IT 101 " pdb=" CB 4J2IU 201 " pdb=" CB 4J2IV 301 " pdb=" CB 4J2IW 401 " pdb=" CB 4J2IX 501 " pdb=" CB 4J2IY 601 " pdb=" CB 4J2IZ 701 " pdb=" CB 4J2I0 1 " pdb=" CB 4J2I1 101 " pdb=" CB 4J2I2 201 " pdb=" CB 4J2I3 301 " pdb=" CB 4J2I4 401 " pdb=" CB 4J2I5 501 " pdb=" CB 4J2I6 601 " pdb=" CB 4J2I7 701 " pdb=" CB 4J2I8 1 " pdb=" CB 4J2I9 101 " pdb=" CB 4J2JA 201 " pdb=" CB 4J2JB 301 " pdb=" CB 4J2JC 401 " pdb=" CB 4J2JD 501 " pdb=" CB 4J2JE 601 " pdb=" CB 4J2JF 701 " pdb=" CB 4J2JG 1 " pdb=" CB 4J2JH 101 " pdb=" CB 4J2JI 201 " pdb=" CB 4J2JJ 301 " pdb=" CB 4J2JK 401 " pdb=" CB 4J2JL 501 " pdb=" CB 4J2JM 601 " pdb=" CB 4J2JN 701 " pdb=" CB 4J2JO 1 " pdb=" CB 4J2JP 101 " pdb=" CB 4J2JQ 201 " pdb=" CB 4J2JR 301 " pdb=" CB 4J2JS 401 " pdb=" CB 4J2JT 501 " pdb=" CB 4J2JU 601 " pdb=" CB 4J2JV 701 " pdb=" CB 4J2JW 1 " pdb=" CB 4J2JX 101 " pdb=" CB 4J2JY 201 " pdb=" CB 4J2JZ 301 " pdb=" CB 4J2J0 401 " pdb=" CB 4J2J1 501 " pdb=" CB 4J2J2 601 " pdb=" CB 4J2J3 701 " pdb=" CB 4J2J4 1 " pdb=" CB 4J2J5 101 " pdb=" CB 4J2J6 201 " pdb=" CB 4J2J7 301 " pdb=" CB 4J2J8 401 " pdb=" CB 4J2J9 501 " pdb=" CB 4J2KA 601 " pdb=" CB 4J2KB 701 " pdb=" CB 4J2KC 1 " pdb=" CB 4J2KD 101 " pdb=" CB 4J2KE 201 " pdb=" CB 4J2KF 301 " pdb=" CB 4J2KG 401 " pdb=" CB 4J2KH 501 " pdb=" CB 4J2KI 601 " pdb=" CB 4J2KJ 701 " pdb=" CB 4J2KK 1 " pdb=" CB 4J2KL 101 " pdb=" CB 4J2KM 201 " pdb=" CB 4J2KN 301 " pdb=" CB 4J2KO 401 " pdb=" CB 4J2KP 501 " pdb=" CB 4J2KQ 601 " pdb=" CB 4J2KR 701 " pdb=" CB 4J2KS 1 " pdb=" CB 4J2KT 101 " pdb=" CB 4J2KU 201 " pdb=" CB 4J2KV 301 " pdb=" CB 4J2KW 401 " pdb=" CB 4J2KX 501 " pdb=" CB 4J2KY 601 " pdb=" CB 4J2KZ 701 " pdb=" CB 4J2K0 1 " pdb=" CB 4J2K1 101 " pdb=" CB 4J2K2 201 " pdb=" CB 4J2K3 301 " pdb=" CB 4J2K4 401 " pdb=" CB 4J2K5 501 " pdb=" CB 4J2K6 601 " pdb=" CB 4J2K7 701 " pdb=" CB 4J2K8 1 " pdb=" CB 4J2K9 101 " pdb=" CB 4J2LA 201 " pdb=" CB 4J2LB 301 " pdb=" CB 4J2LC 401 " pdb=" CB 4J2LD 501 " pdb=" CB 4J2LE 601 " pdb=" CB 4J2LF 701 " pdb=" CB 4J2LG 1 " pdb=" CB 4J2LH 101 " pdb=" CB 4J2LI 201 " pdb=" CB 4J2LJ 301 " pdb=" CB 4J2LK 401 " pdb=" CB 4J2LL 501 " pdb=" CB 4J2LM 601 " pdb=" CB 4J2LN 701 " pdb=" CB 4J2LO 1 " pdb=" CB 4J2LP 101 " pdb=" CB 4J2LQ 201 " pdb=" CB 4J2LR 301 " pdb=" CB 4J2LS 401 " pdb=" CB 4J2LT 501 " pdb=" CB 4J2LU 601 " pdb=" CB 4J2LV 701 " pdb=" CB 4J2LW 1 " pdb=" CB 4J2LX 101 " pdb=" CB 4J2LY 201 " pdb=" CB 4J2LZ 301 " pdb=" CB 4J2L0 401 " pdb=" CB 4J2L1 501 " pdb=" CB 4J2L2 601 " pdb=" CB 4J2L3 701 " pdb=" CB 4J2L4 1 " pdb=" CB 4J2L5 101 " pdb=" CB 4J2L6 201 " pdb=" CB 4J2L7 301 " pdb=" CB 4J2L8 401 " pdb=" CB 4J2L9 501 " pdb=" CB 4J2MA 601 " pdb=" CB 4J2MB 701 " pdb=" CB 4J2MC 1 " pdb=" CB 4J2MD 101 " pdb=" CB 4J2ME 201 " pdb=" CB 4J2MF 301 " pdb=" CB 4J2MG 401 " pdb=" CB 4J2MH 501 " pdb=" CB 4J2MI 601 " pdb=" CB 4J2MJ 701 " pdb=" CB 4J2MK 1 " pdb=" CB 4J2ML 101 " pdb=" CB 4J2MM 201 " pdb=" CB 4J2MN 301 " pdb=" CB 4J2MO 401 " pdb=" CB 4J2MP 501 " pdb=" CB 4J2MQ 601 " pdb=" CB 4J2MR 701 " pdb=" CB 4J2MS 1 " pdb=" CB 4J2MT 101 " pdb=" CB 4J2MU 201 " pdb=" CB 4J2MV 301 " pdb=" CB 4J2MW 401 " pdb=" CB 4J2MX 501 " pdb=" CB 4J2MY 601 " pdb=" CB 4J2MZ 701 " pdb=" CB 4J2M0 1 " pdb=" CB 4J2M1 101 " pdb=" CB 4J2M2 201 " pdb=" CB 4J2M3 301 " pdb=" CB 4J2M4 401 " pdb=" CB 4J2M5 501 " pdb=" CB 4J2M6 601 " pdb=" CB 4J2M7 701 " pdb=" CB 4J2M8 1 " pdb=" CB 4J2M9 101 " pdb=" CB 4J2NA 201 " pdb=" CB 4J2NB 301 " pdb=" CB 4J2NC 401 " pdb=" CB 4J2ND 501 " pdb=" CB 4J2NE 601 " pdb=" CB 4J2NF 701 " pdb=" CB 4J2NG 1 " pdb=" CB 4J2NH 101 " pdb=" CB 4J2NI 201 " pdb=" CB 4J2NJ 301 " pdb=" CB 4J2NK 401 " pdb=" CB 4J2NL 501 " pdb=" CB 4J2NM 601 " pdb=" CB 4J2NN 701 " pdb=" CB 4J2NO 1 " pdb=" CB 4J2NP 101 " pdb=" CB 4J2NQ 201 " pdb=" CB 4J2NR 301 " pdb=" CB 4J2NS 401 " pdb=" CB 4J2NT 501 " pdb=" CB 4J2NU 601 " pdb=" CB 4J2NV 701 " pdb=" CB 4J2NW 1 " pdb=" CB 4J2NX 101 " pdb=" CB 4J2NY 201 " pdb=" CB 4J2NZ 301 " pdb=" CB 4J2N0 401 " pdb=" CB 4J2N1 501 " pdb=" CB 4J2N2 601 " pdb=" CB 4J2N3 701 " pdb=" CB 4J2N4 1 " pdb=" CB 4J2N5 101 " pdb=" CB 4J2N6 201 " pdb=" CB 4J2N7 301 " pdb=" CB 4J2N8 401 " pdb=" CB 4J2N9 501 " pdb=" CB 4J2OA 601 " pdb=" CB 4J2OB 701 " pdb=" CB 4J2OC 1 " pdb=" CB 4J2OD 101 " pdb=" CB 4J2OE 201 " pdb=" CB 4J2OF 301 " pdb=" CB 4J2OG 401 " pdb=" CB 4J2OH 501 " pdb=" CB 4J2OI 601 " pdb=" CB 4J2OJ 701 " pdb=" CB 4J2OK 1 " pdb=" CB 4J2OL 101 " pdb=" CB 4J2OM 201 " pdb=" CB 4J2ON 301 " pdb=" CB 4J2OO 401 " pdb=" CB 4J2OP 501 " pdb=" CB 4J2OQ 601 " pdb=" CB 4J2OR 701 " pdb=" CB 4J2OS 1 " pdb=" CB 4J2OT 101 " pdb=" CB 4J2OU 201 " pdb=" CB 4J2OV 301 " pdb=" CB 4J2OW 401 " pdb=" CB 4J2OX 501 " pdb=" CB 4J2OY 601 " pdb=" CB 4J2OZ 701 " pdb=" CB 4J2O0 1 " pdb=" CB 4J2O1 101 " pdb=" CB 4J2O2 201 " pdb=" CB 4J2O3 301 " pdb=" CB 4J2O4 401 " pdb=" CB 4J2O5 501 " pdb=" CB 4J2O6 601 " pdb=" CB 4J2O7 701 " pdb=" CB 4J2O8 1 " pdb=" CB 4J2O9 101 " pdb=" CB 4J2PA 201 " pdb=" CB 4J2PB 301 " pdb=" CB 4J2PC 401 " pdb=" CB 4J2PD 501 " pdb=" CB 4J2PE 601 " pdb=" CB 4J2PF 701 " pdb=" CB 4J2PG 1 " pdb=" CB 4J2PH 101 " pdb=" CB 4J2PI 201 " pdb=" CB 4J2PJ 301 " pdb=" CB 4J2PK 401 " pdb=" CB 4J2PL 501 " pdb=" CB 4J2PM 601 " pdb=" CB 4J2PN 701 " pdb=" CB 4J2PO 1 " pdb=" CB 4J2PP 101 " pdb=" CB 4J2PQ 201 " pdb=" CB 4J2PR 301 " pdb=" CB 4J2PS 401 " pdb=" CB 4J2PT 501 " pdb=" CB 4J2PU 601 " pdb=" CB 4J2PV 701 " pdb=" CB 4J2PW 1 " pdb=" CB 4J2PX 101 " pdb=" CB 4J2PY 201 " pdb=" CB 4J2PZ 301 " pdb=" CB 4J2P0 401 " pdb=" CB 4J2P1 501 " pdb=" CB 4J2P2 601 " pdb=" CB 4J2P3 701 " pdb=" CB 4J2P4 1 " pdb=" CB 4J2P5 101 " pdb=" CB 4J2P6 201 " pdb=" CB 4J2P7 301 " pdb=" CB 4J2P8 401 " pdb=" CB 4J2P9 501 " pdb=" CB 4J2QA 601 " pdb=" CB 4J2QB 701 " pdb=" CB 4J2QC 1 " pdb=" CB 4J2QD 101 " pdb=" CB 4J2QE 201 " pdb=" CB 4J2QF 301 " pdb=" CB 4J2QG 401 " pdb=" CB 4J2QH 501 " pdb=" CB 4J2QI 601 " pdb=" CB 4J2QJ 701 " pdb=" CB 4J2QK 1 " pdb=" CB 4J2QL 101 " pdb=" CB 4J2QM 201 " pdb=" CB 4J2QN 301 " pdb=" CB 4J2QO 401 " pdb=" CB 4J2QP 501 " pdb=" CB 4J2QQ 601 " pdb=" CB 4J2QR 701 " pdb=" CB 4J2QS 1 " pdb=" CB 4J2QT 101 " pdb=" CB 4J2QU 201 " pdb=" CB 4J2QV 301 " pdb=" CB 4J2QW 401 " pdb=" CB 4J2QX 501 " pdb=" CB 4J2QY 601 " pdb=" CB 4J2QZ 701 " pdb=" CB 4J2Q0 1 " pdb=" CB 4J2Q1 101 " pdb=" CB 4J2Q2 201 " pdb=" CB 4J2Q3 301 " pdb=" CB 4J2Q4 401 " pdb=" CB 4J2Q5 501 " pdb=" CB 4J2Q6 601 " pdb=" CB 4J2Q7 701 " pdb=" CB 4J2Q8 1 " pdb=" CB 4J2Q9 101 " pdb=" CB 4J2RA 201 " pdb=" CB 4J2RB 301 " pdb=" CB 4J2RC 401 " pdb=" CB 4J2RD 501 " pdb=" CB 4J2RE 601 " pdb=" CB 4J2RF 701 " pdb=" CB 4J2RG 1 " pdb=" CB 4J2RH 101 " pdb=" CB 4J2RI 201 " pdb=" CB 4J2RJ 301 " pdb=" CB 4J2RK 401 " pdb=" CB 4J2RL 501 " pdb=" CB 4J2RM 601 " pdb=" CB 4J2RN 701 " pdb=" CB 4J2RO 1 " pdb=" CB 4J2RP 101 " pdb=" CB 4J2RQ 201 " pdb=" CB 4J2RR 301 " pdb=" CB 4J2RS 401 " pdb=" CB 4J2RT 501 " pdb=" CB 4J2RU 601 " pdb=" CB 4J2RV 701 " pdb=" CB 4J2RW 1 " pdb=" CB 4J2RX 101 " pdb=" CB 4J2RY 201 " pdb=" CB 4J2RZ 301 " pdb=" CB 4J2R0 401 " pdb=" CB 4J2R1 501 " pdb=" CB 4J2R2 601 " pdb=" CB 4J2R3 701 " pdb=" CB 4J2R4 1 " pdb=" CB 4J2R5 101 " pdb=" CB 4J2R6 201 " pdb=" CB 4J2R7 301 " pdb=" CB 4J2R8 401 " pdb=" CB 4J2R9 501 " pdb=" CB 4J2SA 601 " pdb=" CB 4J2SB 701 " pdb=" CB 4J2SC 1 " pdb=" CB 4J2SD 101 " pdb=" CB 4J2SE 201 " pdb=" CB 4J2SF 301 " pdb=" CB 4J2SG 401 " pdb=" CB 4J2SH 501 " pdb=" CB 4J2SI 601 " pdb=" CB 4J2SJ 701 " pdb=" CB 4J2SK 1 " pdb=" CB 4J2SL 101 " pdb=" CB 4J2SM 201 " pdb=" CB 4J2SN 301 " pdb=" CB 4J2SO 401 " pdb=" CB 4J2SP 501 " pdb=" CB 4J2SQ 601 " pdb=" CB 4J2SR 701 " pdb=" CB 4J2SS 1 " pdb=" CB 4J2ST 101 " pdb=" CB 4J2SU 201 " pdb=" CB 4J2SV 301 " pdb=" CB 4J2SW 401 " pdb=" CB 4J2SX 501 " pdb=" CB 4J2SY 601 " pdb=" CB 4J2SZ 701 " pdb=" CB 4J2S0 1 " pdb=" CB 4J2S1 101 " pdb=" CB 4J2S2 201 " pdb=" CB 4J2S3 301 " pdb=" CB 4J2S4 401 " pdb=" CB 4J2S5 501 " pdb=" CB 4J2S6 601 " pdb=" CB 4J2S7 701 " pdb=" CB 4J2S8 1 " pdb=" CB 4J2S9 101 " pdb=" CB 4J2TA 201 " pdb=" CB 4J2TB 301 " pdb=" CB 4J2TC 401 " pdb=" CB 4J2TD 501 " pdb=" CB 4J2TE 601 " pdb=" CB 4J2TF 701 " pdb=" CB 4J2TG 1 " pdb=" CB 4J2TH 101 " pdb=" CB 4J2TI 201 " pdb=" CB 4J2TJ 301 " pdb=" CB 4J2TK 401 " pdb=" CB 4J2TL 501 " pdb=" CB 4J2TM 601 " pdb=" CB 4J2TN 701 " pdb=" CB 4J2TO 1 " pdb=" CB 4J2TP 101 " pdb=" CB 4J2TQ 201 " pdb=" CB 4J2TR 301 " pdb=" CB 4J2TS 401 " pdb=" CB 4J2TT 501 " pdb=" CB 4J2TU 601 " pdb=" CB 4J2TV 701 " pdb=" CB 4J2TW 1 " pdb=" CB 4J2TX 101 " pdb=" CB 4J2TY 201 " pdb=" CB 4J2TZ 301 " pdb=" CB 4J2T0 401 " pdb=" CB 4J2T1 501 " pdb=" CB 4J2T2 601 " pdb=" CB 4J2T3 701 " pdb=" CB 4J2T4 1 " pdb=" CB 4J2T5 101 " pdb=" CB 4J2T6 201 " pdb=" CB 4J2T7 301 " pdb=" CB 4J2T8 401 " pdb=" CB 4J2T9 501 " pdb=" CB 4J2UA 601 " pdb=" CB 4J2UB 701 " pdb=" CB 4J2UC 1 " pdb=" CB 4J2UD 101 " pdb=" CB 4J2UE 201 " pdb=" CB 4J2UF 301 " pdb=" CB 4J2UG 401 " pdb=" CB 4J2UH 501 " pdb=" CB 4J2UI 601 " pdb=" CB 4J2UJ 701 " pdb=" CB 4J2UK 1 " pdb=" CB 4J2UL 101 " pdb=" CB 4J2UM 201 " pdb=" CB 4J2UN 301 " pdb=" CB 4J2UO 401 " pdb=" CB 4J2UP 501 " pdb=" CB 4J2UQ 601 " pdb=" CB 4J2UR 701 " Number of C-beta restraints generated: 9600 Finding SS restraints... running ksdssp... Secondary structure from input PDB file: 0 helices and 0 sheets defined 0.0% alpha, 0.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 5.20 Creating SS restraints... No hydrogen bonds defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 0.02 Time building geometry restraints manager: 24.35 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 12662 1.33 - 1.46: 27970 1.46 - 1.58: 22568 1.58 - 1.71: 0 1.71 - 1.83: 1600 Bond restraints: 64800 Sorted by residual: bond pdb=" N 4J2N9 501 " pdb=" CA 4J2N9 501 " ideal model delta sigma weight residual 1.458 1.486 -0.028 1.90e-02 2.77e+03 2.24e+00 bond pdb=" N 4J2H9 501 " pdb=" CA 4J2H9 501 " ideal model delta sigma weight residual 1.458 1.486 -0.028 1.90e-02 2.77e+03 2.24e+00 bond pdb=" N 4J2UI 601 " pdb=" CA 4J2UI 601 " ideal model delta sigma weight residual 1.458 1.486 -0.028 1.90e-02 2.77e+03 2.24e+00 bond pdb=" N 4J2DM 601 " pdb=" CA 4J2DM 601 " ideal model delta sigma weight residual 1.458 1.486 -0.028 1.90e-02 2.77e+03 2.23e+00 bond pdb=" N 4J2 W 601 " pdb=" CA 4J2 W 601 " ideal model delta sigma weight residual 1.458 1.486 -0.028 1.90e-02 2.77e+03 2.23e+00 ... (remaining 64795 not shown) Histogram of bond angle deviations from ideal: 105.95 - 111.60: 23869 111.60 - 117.24: 15757 117.24 - 122.88: 42295 122.88 - 128.52: 5279 128.52 - 134.17: 1600 Bond angle restraints: 88800 Sorted by residual: angle pdb=" C 4J2NG 1 " pdb=" CA 4J2NG 1 " pdb=" CB 4J2NG 1 " ideal model delta sigma weight residual 110.50 115.67 -5.17 1.50e+00 4.44e-01 1.19e+01 angle pdb=" C 4J2KK 1 " pdb=" CA 4J2KK 1 " pdb=" CB 4J2KK 1 " ideal model delta sigma weight residual 110.50 115.67 -5.17 1.50e+00 4.44e-01 1.19e+01 angle pdb=" C 4J2DW 1 " pdb=" CA 4J2DW 1 " pdb=" CB 4J2DW 1 " ideal model delta sigma weight residual 110.50 115.67 -5.17 1.50e+00 4.44e-01 1.19e+01 angle pdb=" C 4J2A8 1 " pdb=" CA 4J2A8 1 " pdb=" CB 4J2A8 1 " ideal model delta sigma weight residual 110.50 115.67 -5.17 1.50e+00 4.44e-01 1.19e+01 angle pdb=" C 4J2M0 1 " pdb=" CA 4J2M0 1 " pdb=" CB 4J2M0 1 " ideal model delta sigma weight residual 110.50 115.67 -5.17 1.50e+00 4.44e-01 1.19e+01 ... (remaining 88795 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 6.45: 19047 6.45 - 12.90: 5653 12.90 - 19.35: 2400 19.35 - 25.79: 1300 25.79 - 32.24: 400 Dihedral angle restraints: 28800 sinusoidal: 12800 harmonic: 16000 Sorted by residual: dihedral pdb=" CA CYSTN 702 " pdb=" C CYSTN 702 " pdb=" N TYRTN 703 " pdb=" CA TYRTN 703 " ideal model delta harmonic sigma weight residual 180.00 164.95 15.05 0 5.00e+00 4.00e-02 9.06e+00 dihedral pdb=" CA CYSJN 702 " pdb=" C CYSJN 702 " pdb=" N TYRJN 703 " pdb=" CA TYRJN 703 " ideal model delta harmonic sigma weight residual 180.00 164.96 15.04 0 5.00e+00 4.00e-02 9.05e+00 dihedral pdb=" CA CYSAR 702 " pdb=" C CYSAR 702 " pdb=" N TYRAR 703 " pdb=" CA TYRAR 703 " ideal model delta harmonic sigma weight residual 180.00 164.96 15.04 0 5.00e+00 4.00e-02 9.05e+00 ... (remaining 28797 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.027: 2721 0.027 - 0.053: 2137 0.053 - 0.080: 1758 0.080 - 0.107: 918 0.107 - 0.133: 466 Chirality restraints: 8000 Sorted by residual: chirality pdb=" CA LYSH2 605 " pdb=" N LYSH2 605 " pdb=" C LYSH2 605 " pdb=" CB LYSH2 605 " both_signs ideal model delta sigma weight residual False 2.51 2.38 0.13 2.00e-01 2.50e+01 4.44e-01 chirality pdb=" CA LYSSI 605 " pdb=" N LYSSI 605 " pdb=" C LYSSI 605 " pdb=" CB LYSSI 605 " both_signs ideal model delta sigma weight residual False 2.51 2.38 0.13 2.00e-01 2.50e+01 4.42e-01 chirality pdb=" CA LYSPE 605 " pdb=" N LYSPE 605 " pdb=" C LYSPE 605 " pdb=" CB LYSPE 605 " both_signs ideal model delta sigma weight residual False 2.51 2.38 0.13 2.00e-01 2.50e+01 4.42e-01 ... (remaining 7997 not shown) Planarity restraints: 8800 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB 4J2TF 701 " -0.027 2.00e-02 2.50e+03 1.22e-02 4.07e+00 pdb=" CG 4J2TF 701 " 0.017 2.00e-02 2.50e+03 pdb=" CD1 4J2TF 701 " -0.002 2.00e-02 2.50e+03 pdb=" CD2 4J2TF 701 " 0.010 2.00e-02 2.50e+03 pdb=" CE1 4J2TF 701 " 0.005 2.00e-02 2.50e+03 pdb=" CE2 4J2TF 701 " 0.008 2.00e-02 2.50e+03 pdb=" CE3 4J2TF 701 " 0.008 2.00e-02 2.50e+03 pdb=" CZ1 4J2TF 701 " 0.005 2.00e-02 2.50e+03 pdb=" CZ2 4J2TF 701 " -0.001 2.00e-02 2.50e+03 pdb=" CZ3 4J2TF 701 " -0.016 2.00e-02 2.50e+03 pdb=" CE4 4J2TF 701 " -0.008 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB 4J2QB 701 " -0.027 2.00e-02 2.50e+03 1.22e-02 4.06e+00 pdb=" CG 4J2QB 701 " 0.017 2.00e-02 2.50e+03 pdb=" CD1 4J2QB 701 " -0.002 2.00e-02 2.50e+03 pdb=" CD2 4J2QB 701 " 0.010 2.00e-02 2.50e+03 pdb=" CE1 4J2QB 701 " 0.005 2.00e-02 2.50e+03 pdb=" CE2 4J2QB 701 " 0.008 2.00e-02 2.50e+03 pdb=" CE3 4J2QB 701 " 0.008 2.00e-02 2.50e+03 pdb=" CZ1 4J2QB 701 " 0.005 2.00e-02 2.50e+03 pdb=" CZ2 4J2QB 701 " -0.000 2.00e-02 2.50e+03 pdb=" CZ3 4J2QB 701 " -0.016 2.00e-02 2.50e+03 pdb=" CE4 4J2QB 701 " -0.008 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB 4J2IR 701 " 0.027 2.00e-02 2.50e+03 1.21e-02 4.05e+00 pdb=" CG 4J2IR 701 " -0.017 2.00e-02 2.50e+03 pdb=" CD1 4J2IR 701 " 0.002 2.00e-02 2.50e+03 pdb=" CD2 4J2IR 701 " -0.010 2.00e-02 2.50e+03 pdb=" CE1 4J2IR 701 " -0.005 2.00e-02 2.50e+03 pdb=" CE2 4J2IR 701 " -0.008 2.00e-02 2.50e+03 pdb=" CE3 4J2IR 701 " -0.009 2.00e-02 2.50e+03 pdb=" CZ1 4J2IR 701 " -0.006 2.00e-02 2.50e+03 pdb=" CZ2 4J2IR 701 " 0.000 2.00e-02 2.50e+03 pdb=" CZ3 4J2IR 701 " 0.016 2.00e-02 2.50e+03 pdb=" CE4 4J2IR 701 " 0.008 2.00e-02 2.50e+03 ... (remaining 8797 not shown) Histogram of nonbonded interaction distances: 2.25 - 2.78: 15673 2.78 - 3.31: 43811 3.31 - 3.84: 104108 3.84 - 4.37: 126269 4.37 - 4.90: 207592 Nonbonded interactions: 497453 Sorted by model distance: nonbonded pdb=" O THRJ2 608 " pdb=" OG1 THRJ2 608 " model vdw 2.247 2.440 nonbonded pdb=" O THRBM 608 " pdb=" OG1 THRBM 608 " model vdw 2.247 2.440 nonbonded pdb=" O THR W 608 " pdb=" OG1 THR W 608 " model vdw 2.247 2.440 nonbonded pdb=" O THRMQ 608 " pdb=" OG1 THRMQ 608 " model vdw 2.247 2.440 nonbonded pdb=" O THR c 608 " pdb=" OG1 THR c 608 " model vdw 2.247 2.440 ... (remaining 497448 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'A0' selection = chain 'A1' selection = chain 'A2' selection = chain 'A3' selection = chain 'A4' selection = chain 'A5' selection = chain 'A6' selection = chain 'A7' selection = chain 'A8' selection = chain 'A9' selection = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'AM' selection = chain 'AN' selection = chain 'AO' selection = chain 'AP' selection = chain 'AQ' selection = chain 'AR' selection = chain 'AS' selection = chain 'AT' selection = chain 'AU' selection = chain 'AV' selection = chain 'AW' selection = chain 'AX' selection = chain 'AY' selection = chain 'AZ' selection = chain 'B' selection = chain 'B0' selection = chain 'B1' selection = chain 'B2' selection = chain 'B3' selection = chain 'B4' selection = chain 'B5' selection = chain 'B6' selection = chain 'B7' selection = chain 'B8' selection = chain 'B9' selection = chain 'BA' selection = chain 'BB' selection = chain 'BC' selection = chain 'BD' selection = chain 'BE' selection = chain 'BF' selection = chain 'BG' selection = chain 'BH' selection = chain 'BI' selection = chain 'BJ' selection = chain 'BK' selection = chain 'BL' selection = chain 'BM' selection = chain 'BN' selection = chain 'BO' selection = chain 'BP' selection = chain 'BQ' selection = chain 'BR' selection = chain 'BS' selection = chain 'BT' selection = chain 'BU' selection = chain 'BV' selection = chain 'BW' selection = chain 'BX' selection = chain 'BY' selection = chain 'BZ' selection = chain 'C' selection = chain 'C0' selection = chain 'C1' selection = chain 'C2' selection = chain 'C3' selection = chain 'C4' selection = chain 'C5' selection = chain 'C6' selection = chain 'C7' selection = chain 'C8' selection = chain 'C9' selection = chain 'CA' selection = chain 'CB' selection = chain 'CC' selection = chain 'CD' selection = chain 'CE' selection = chain 'CF' selection = chain 'CG' selection = chain 'CH' selection = chain 'CI' selection = chain 'CJ' selection = chain 'CK' selection = chain 'CL' selection = chain 'CM' selection = chain 'CN' selection = chain 'CO' selection = chain 'CP' selection = chain 'CQ' selection = chain 'CR' selection = chain 'CS' selection = chain 'CT' selection = chain 'CU' selection = chain 'CV' selection = chain 'CW' selection = chain 'CX' selection = chain 'CY' selection = chain 'CZ' selection = chain 'D' selection = chain 'D0' selection = chain 'D1' selection = chain 'D2' selection = chain 'D3' selection = chain 'D4' selection = chain 'D5' selection = chain 'D6' selection = chain 'D7' selection = chain 'D8' selection = chain 'D9' selection = chain 'DA' selection = chain 'DB' selection = chain 'DC' selection = chain 'DD' selection = chain 'DE' selection = chain 'DF' selection = chain 'DG' selection = chain 'DH' selection = chain 'DI' selection = chain 'DJ' selection = chain 'DK' selection = chain 'DL' selection = chain 'DM' selection = chain 'DN' selection = chain 'DO' selection = chain 'DP' selection = chain 'DQ' selection = chain 'DR' selection = chain 'DS' selection = chain 'DT' selection = chain 'DU' selection = chain 'DV' selection = chain 'DW' selection = chain 'DX' selection = chain 'DY' selection = chain 'DZ' selection = chain 'E' selection = chain 'E0' selection = chain 'E1' selection = chain 'E2' selection = chain 'E3' selection = chain 'E4' selection = chain 'E5' selection = chain 'E6' selection = chain 'E7' selection = chain 'E8' selection = chain 'E9' selection = chain 'EA' selection = chain 'EB' selection = chain 'EC' selection = chain 'ED' selection = chain 'EE' selection = chain 'EF' selection = chain 'EG' selection = chain 'EH' selection = chain 'EI' selection = chain 'EJ' selection = chain 'EK' selection = chain 'EL' selection = chain 'EM' selection = chain 'EN' selection = chain 'EO' selection = chain 'EP' selection = chain 'EQ' selection = chain 'ER' selection = chain 'ES' selection = chain 'ET' selection = chain 'EU' selection = chain 'EV' selection = chain 'EW' selection = chain 'EX' selection = chain 'EY' selection = chain 'EZ' selection = chain 'F' selection = chain 'F0' selection = chain 'F1' selection = chain 'F2' selection = chain 'F3' selection = chain 'F4' selection = chain 'F5' selection = chain 'F6' selection = chain 'F7' selection = chain 'F8' selection = chain 'F9' selection = chain 'FA' selection = chain 'FB' selection = chain 'FC' selection = chain 'FD' selection = chain 'FE' selection = chain 'FF' selection = chain 'FG' selection = chain 'FH' selection = chain 'FI' selection = chain 'FJ' selection = chain 'FK' selection = chain 'FL' selection = chain 'FM' selection = chain 'FN' selection = chain 'FO' selection = chain 'FP' selection = chain 'FQ' selection = chain 'FR' selection = chain 'FS' selection = chain 'FT' selection = chain 'FU' selection = chain 'FV' selection = chain 'FW' selection = chain 'FX' selection = chain 'FY' selection = chain 'FZ' selection = chain 'G' selection = chain 'G0' selection = chain 'G1' selection = chain 'G2' selection = chain 'G3' selection = chain 'G4' selection = chain 'G5' selection = chain 'G6' selection = chain 'G7' selection = chain 'G8' selection = chain 'G9' selection = chain 'GA' selection = chain 'GB' selection = chain 'GC' selection = chain 'GD' selection = chain 'GE' selection = chain 'GF' selection = chain 'GG' selection = chain 'GH' selection = chain 'GI' selection = chain 'GJ' selection = chain 'GK' selection = chain 'GL' selection = chain 'GM' selection = chain 'GN' selection = chain 'GO' selection = chain 'GP' selection = chain 'GQ' selection = chain 'GR' selection = chain 'GS' selection = chain 'GT' selection = chain 'GU' selection = chain 'GV' selection = chain 'GW' selection = chain 'GX' selection = chain 'GY' selection = chain 'GZ' selection = chain 'H' selection = chain 'H0' selection = chain 'H1' selection = chain 'H2' selection = chain 'H3' selection = chain 'H4' selection = chain 'H5' selection = chain 'H6' selection = chain 'H7' selection = chain 'H8' selection = chain 'H9' selection = chain 'HA' selection = chain 'HB' selection = chain 'HC' selection = chain 'HD' selection = chain 'HE' selection = chain 'HF' selection = chain 'HG' selection = chain 'HH' selection = chain 'HI' selection = chain 'HJ' selection = chain 'HK' selection = chain 'HL' selection = chain 'HM' selection = chain 'HN' selection = chain 'HO' selection = chain 'HP' selection = chain 'HQ' selection = chain 'HR' selection = chain 'HS' selection = chain 'HT' selection = chain 'HU' selection = chain 'HV' selection = chain 'HW' selection = chain 'HX' selection = chain 'HY' selection = chain 'HZ' selection = chain 'I' selection = chain 'I0' selection = chain 'I1' selection = chain 'I2' selection = chain 'I3' selection = chain 'I4' selection = chain 'I5' selection = chain 'I6' selection = chain 'I7' selection = chain 'I8' selection = chain 'I9' selection = chain 'IA' selection = chain 'IB' selection = chain 'IC' selection = chain 'ID' selection = chain 'IE' selection = chain 'IF' selection = chain 'IG' selection = chain 'IH' selection = chain 'II' selection = chain 'IJ' selection = chain 'IK' selection = chain 'IL' selection = chain 'IM' selection = chain 'IN' selection = chain 'IO' selection = chain 'IP' selection = chain 'IQ' selection = chain 'IR' selection = chain 'IS' selection = chain 'IT' selection = chain 'IU' selection = chain 'IV' selection = chain 'IW' selection = chain 'IX' selection = chain 'IY' selection = chain 'IZ' selection = chain 'J' selection = chain 'J0' selection = chain 'J1' selection = chain 'J2' selection = chain 'J3' selection = chain 'J4' selection = chain 'J5' selection = chain 'J6' selection = chain 'J7' selection = chain 'J8' selection = chain 'J9' selection = chain 'JA' selection = chain 'JB' selection = chain 'JC' selection = chain 'JD' selection = chain 'JE' selection = chain 'JF' selection = chain 'JG' selection = chain 'JH' selection = chain 'JI' selection = chain 'JJ' selection = chain 'JK' selection = chain 'JL' selection = chain 'JM' selection = chain 'JN' selection = chain 'JO' selection = chain 'JP' selection = chain 'JQ' selection = chain 'JR' selection = chain 'JS' selection = chain 'JT' selection = chain 'JU' selection = chain 'JV' selection = chain 'JW' selection = chain 'JX' selection = chain 'JY' selection = chain 'JZ' selection = chain 'K' selection = chain 'K0' selection = chain 'K1' selection = chain 'K2' selection = chain 'K3' selection = chain 'K4' selection = chain 'K5' selection = chain 'K6' selection = chain 'K7' selection = chain 'K8' selection = chain 'K9' selection = chain 'KA' selection = chain 'KB' selection = chain 'KC' selection = chain 'KD' selection = chain 'KE' selection = chain 'KF' selection = chain 'KG' selection = chain 'KH' selection = chain 'KI' selection = chain 'KJ' selection = chain 'KK' selection = chain 'KL' selection = chain 'KM' selection = chain 'KN' selection = chain 'KO' selection = chain 'KP' selection = chain 'KQ' selection = chain 'KR' selection = chain 'KS' selection = chain 'KT' selection = chain 'KU' selection = chain 'KV' selection = chain 'KW' selection = chain 'KX' selection = chain 'KY' selection = chain 'KZ' selection = chain 'L' selection = chain 'L0' selection = chain 'L1' selection = chain 'L2' selection = chain 'L3' selection = chain 'L4' selection = chain 'L5' selection = chain 'L6' selection = chain 'L7' selection = chain 'L8' selection = chain 'L9' selection = chain 'LA' selection = chain 'LB' selection = chain 'LC' selection = chain 'LD' selection = chain 'LE' selection = chain 'LF' selection = chain 'LG' selection = chain 'LH' selection = chain 'LI' selection = chain 'LJ' selection = chain 'LK' selection = chain 'LL' selection = chain 'LM' selection = chain 'LN' selection = chain 'LO' selection = chain 'LP' selection = chain 'LQ' selection = chain 'LR' selection = chain 'LS' selection = chain 'LT' selection = chain 'LU' selection = chain 'LV' selection = chain 'LW' selection = chain 'LX' selection = chain 'LY' selection = chain 'LZ' selection = chain 'M' selection = chain 'M0' selection = chain 'M1' selection = chain 'M2' selection = chain 'M3' selection = chain 'M4' selection = chain 'M5' selection = chain 'M6' selection = chain 'M7' selection = chain 'M8' selection = chain 'M9' selection = chain 'MA' selection = chain 'MB' selection = chain 'MC' selection = chain 'MD' selection = chain 'ME' selection = chain 'MF' selection = chain 'MG' selection = chain 'MH' selection = chain 'MI' selection = chain 'MJ' selection = chain 'MK' selection = chain 'ML' selection = chain 'MM' selection = chain 'MN' selection = chain 'MO' selection = chain 'MP' selection = chain 'MQ' selection = chain 'MR' selection = chain 'MS' selection = chain 'MT' selection = chain 'MU' selection = chain 'MV' selection = chain 'MW' selection = chain 'MX' selection = chain 'MY' selection = chain 'MZ' selection = chain 'N' selection = chain 'N0' selection = chain 'N1' selection = chain 'N2' selection = chain 'N3' selection = chain 'N4' selection = chain 'N5' selection = chain 'N6' selection = chain 'N7' selection = chain 'N8' selection = chain 'N9' selection = chain 'NA' selection = chain 'NB' selection = chain 'NC' selection = chain 'ND' selection = chain 'NE' selection = chain 'NF' selection = chain 'NG' selection = chain 'NH' selection = chain 'NI' selection = chain 'NJ' selection = chain 'NK' selection = chain 'NL' selection = chain 'NM' selection = chain 'NN' selection = chain 'NO' selection = chain 'NP' selection = chain 'NQ' selection = chain 'NR' selection = chain 'NS' selection = chain 'NT' selection = chain 'NU' selection = chain 'NV' selection = chain 'NW' selection = chain 'NX' selection = chain 'NY' selection = chain 'NZ' selection = chain 'O' selection = chain 'O0' selection = chain 'O1' selection = chain 'O2' selection = chain 'O3' selection = chain 'O4' selection = chain 'O5' selection = chain 'O6' selection = chain 'O7' selection = chain 'O8' selection = chain 'O9' selection = chain 'OA' selection = chain 'OB' selection = chain 'OC' selection = chain 'OD' selection = chain 'OE' selection = chain 'OF' selection = chain 'OG' selection = chain 'OH' selection = chain 'OI' selection = chain 'OJ' selection = chain 'OK' selection = chain 'OL' selection = chain 'OM' selection = chain 'ON' selection = chain 'OO' selection = chain 'OP' selection = chain 'OQ' selection = chain 'OR' selection = chain 'OS' selection = chain 'OT' selection = chain 'OU' selection = chain 'OV' selection = chain 'OW' selection = chain 'OX' selection = chain 'OY' selection = chain 'OZ' selection = chain 'P' selection = chain 'P0' selection = chain 'P1' selection = chain 'P2' selection = chain 'P3' selection = chain 'P4' selection = chain 'P5' selection = chain 'P6' selection = chain 'P7' selection = chain 'P8' selection = chain 'P9' selection = chain 'PA' selection = chain 'PB' selection = chain 'PC' selection = chain 'PD' selection = chain 'PE' selection = chain 'PF' selection = chain 'PG' selection = chain 'PH' selection = chain 'PI' selection = chain 'PJ' selection = chain 'PK' selection = chain 'PL' selection = chain 'PM' selection = chain 'PN' selection = chain 'PO' selection = chain 'PP' selection = chain 'PQ' selection = chain 'PR' selection = chain 'PS' selection = chain 'PT' selection = chain 'PU' selection = chain 'PV' selection = chain 'PW' selection = chain 'PX' selection = chain 'PY' selection = chain 'PZ' selection = chain 'Q' selection = chain 'Q0' selection = chain 'Q1' selection = chain 'Q2' selection = chain 'Q3' selection = chain 'Q4' selection = chain 'Q5' selection = chain 'Q6' selection = chain 'Q7' selection = chain 'Q8' selection = chain 'Q9' selection = chain 'QA' selection = chain 'QB' selection = chain 'QC' selection = chain 'QD' selection = chain 'QE' selection = chain 'QF' selection = chain 'QG' selection = chain 'QH' selection = chain 'QI' selection = chain 'QJ' selection = chain 'QK' selection = chain 'QL' selection = chain 'QM' selection = chain 'QN' selection = chain 'QO' selection = chain 'QP' selection = chain 'QQ' selection = chain 'QR' selection = chain 'QS' selection = chain 'QT' selection = chain 'QU' selection = chain 'QV' selection = chain 'QW' selection = chain 'QX' selection = chain 'QY' selection = chain 'QZ' selection = chain 'R' selection = chain 'R0' selection = chain 'R1' selection = chain 'R2' selection = chain 'R3' selection = chain 'R4' selection = chain 'R5' selection = chain 'R6' selection = chain 'R7' selection = chain 'R8' selection = chain 'R9' selection = chain 'RA' selection = chain 'RB' selection = chain 'RC' selection = chain 'RD' selection = chain 'RE' selection = chain 'RF' selection = chain 'RG' selection = chain 'RH' selection = chain 'RI' selection = chain 'RJ' selection = chain 'RK' selection = chain 'RL' selection = chain 'RM' selection = chain 'RN' selection = chain 'RO' selection = chain 'RP' selection = chain 'RQ' selection = chain 'RR' selection = chain 'RS' selection = chain 'RT' selection = chain 'RU' selection = chain 'RV' selection = chain 'RW' selection = chain 'RX' selection = chain 'RY' selection = chain 'RZ' selection = chain 'S' selection = chain 'S0' selection = chain 'S1' selection = chain 'S2' selection = chain 'S3' selection = chain 'S4' selection = chain 'S5' selection = chain 'S6' selection = chain 'S7' selection = chain 'S8' selection = chain 'S9' selection = chain 'SA' selection = chain 'SB' selection = chain 'SC' selection = chain 'SD' selection = chain 'SE' selection = chain 'SF' selection = chain 'SG' selection = chain 'SH' selection = chain 'SI' selection = chain 'SJ' selection = chain 'SK' selection = chain 'SL' selection = chain 'SM' selection = chain 'SN' selection = chain 'SO' selection = chain 'SP' selection = chain 'SQ' selection = chain 'SR' selection = chain 'SS' selection = chain 'ST' selection = chain 'SU' selection = chain 'SV' selection = chain 'SW' selection = chain 'SX' selection = chain 'SY' selection = chain 'SZ' selection = chain 'T' selection = chain 'T0' selection = chain 'T1' selection = chain 'T2' selection = chain 'T3' selection = chain 'T4' selection = chain 'T5' selection = chain 'T6' selection = chain 'T7' selection = chain 'T8' selection = chain 'T9' selection = chain 'TA' selection = chain 'TB' selection = chain 'TC' selection = chain 'TD' selection = chain 'TE' selection = chain 'TF' selection = chain 'TG' selection = chain 'TH' selection = chain 'TI' selection = chain 'TJ' selection = chain 'TK' selection = chain 'TL' selection = chain 'TM' selection = chain 'TN' selection = chain 'TO' selection = chain 'TP' selection = chain 'TQ' selection = chain 'TR' selection = chain 'TS' selection = chain 'TT' selection = chain 'TU' selection = chain 'TV' selection = chain 'TW' selection = chain 'TX' selection = chain 'TY' selection = chain 'TZ' selection = chain 'U' selection = chain 'UA' selection = chain 'UB' selection = chain 'UC' selection = chain 'UD' selection = chain 'UE' selection = chain 'UF' selection = chain 'UG' selection = chain 'UH' selection = chain 'UI' selection = chain 'UJ' selection = chain 'UK' selection = chain 'UL' selection = chain 'UM' selection = chain 'UN' selection = chain 'UO' selection = chain 'UP' selection = chain 'UQ' selection = chain 'UR' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.780 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.050 Extract box with map and model: 14.000 Check model and map are aligned: 0.660 Set scattering table: 0.440 Process input model: 98.930 Find NCS groups from input model: 9.890 Set up NCS constraints: 8.250 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:10.170 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 146.180 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8218 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.012 0.044 64800 Z= 0.643 Angle : 1.097 5.173 88800 Z= 0.562 Chirality : 0.057 0.133 8000 Planarity : 0.004 0.012 8800 Dihedral : 9.537 32.243 16800 Min Nonbonded Distance : 2.247 Molprobity Statistics. All-atom Clashscore : 3.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 0.00 % Allowed : 2.08 % Favored : 97.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.99 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.76 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.017 0.004 TYRTB 303 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1295 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1295 time to evaluate : 4.787 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 5 LYS cc_start: 0.8744 (mttt) cc_final: 0.8484 (mttm) REVERT: E 402 CYS cc_start: 0.6837 (m) cc_final: 0.6211 (m) REVERT: E 405 LYS cc_start: 0.8824 (mtmt) cc_final: 0.8599 (mtmp) REVERT: F 502 CYS cc_start: 0.6995 (m) cc_final: 0.6514 (m) REVERT: U 405 LYS cc_start: 0.8672 (mtmt) cc_final: 0.8440 (mtpt) REVERT: Y 5 LYS cc_start: 0.8666 (mttt) cc_final: 0.8368 (mtpt) REVERT: 2 402 CYS cc_start: 0.6834 (m) cc_final: 0.6186 (m) REVERT: 6 5 LYS cc_start: 0.8676 (mttt) cc_final: 0.8434 (mttt) REVERT: h 305 LYS cc_start: 0.8754 (mttt) cc_final: 0.8527 (mtpt) REVERT: n 105 LYS cc_start: 0.8679 (mttt) cc_final: 0.8478 (mtpt) REVERT: q 402 CYS cc_start: 0.6437 (m) cc_final: 0.5996 (m) REVERT: s 605 LYS cc_start: 0.8718 (mtmt) cc_final: 0.8508 (mtmm) REVERT: AA 605 LYS cc_start: 0.8685 (mtmt) cc_final: 0.8435 (mtmt) REVERT: AD 105 LYS cc_start: 0.8706 (mttt) cc_final: 0.8476 (mttp) REVERT: AG 405 LYS cc_start: 0.8795 (mtmt) cc_final: 0.8571 (mtmt) REVERT: AL 105 LYS cc_start: 0.8728 (mttt) cc_final: 0.8429 (mttm) REVERT: AT 105 LYS cc_start: 0.8678 (mttt) cc_final: 0.8437 (mtmp) REVERT: AV 302 CYS cc_start: 0.6635 (m) cc_final: 0.6359 (m) REVERT: AW 402 CYS cc_start: 0.6789 (m) cc_final: 0.6442 (m) REVERT: BR 302 CYS cc_start: 0.6873 (m) cc_final: 0.6342 (m) REVERT: BS 405 LYS cc_start: 0.8767 (mtmt) cc_final: 0.8535 (mtpt) REVERT: BV 705 LYS cc_start: 0.8781 (mtmt) cc_final: 0.8470 (mtmt) REVERT: BZ 302 CYS cc_start: 0.6838 (m) cc_final: 0.6435 (m) REVERT: B1 502 CYS cc_start: 0.6676 (m) cc_final: 0.6235 (m) REVERT: B7 302 CYS cc_start: 0.6950 (m) cc_final: 0.6435 (m) REVERT: CD 105 LYS cc_start: 0.8808 (mttt) cc_final: 0.8571 (mtmm) REVERT: CM 202 CYS cc_start: 0.6813 (m) cc_final: 0.6382 (m) REVERT: CP 502 CYS cc_start: 0.6907 (m) cc_final: 0.6485 (m) REVERT: CS 5 LYS cc_start: 0.8630 (mttt) cc_final: 0.8412 (mmmm) REVERT: CV 305 LYS cc_start: 0.8789 (mttt) cc_final: 0.8551 (mttt) REVERT: C0 5 LYS cc_start: 0.8769 (mttt) cc_final: 0.8557 (mttt) REVERT: DJ 305 LYS cc_start: 0.8714 (mttt) cc_final: 0.8468 (mtpp) REVERT: DM 605 LYS cc_start: 0.8654 (mtmt) cc_final: 0.8443 (mtmt) REVERT: DU 605 LYS cc_start: 0.8662 (mtmt) cc_final: 0.8435 (mtmm) REVERT: D2 605 LYS cc_start: 0.8742 (mtmt) cc_final: 0.8440 (mtmt) REVERT: D9 502 CYS cc_start: 0.6837 (m) cc_final: 0.6420 (m) REVERT: ER 705 LYS cc_start: 0.8731 (mtmt) cc_final: 0.8427 (mtmt) REVERT: FB 302 CYS cc_start: 0.6606 (m) cc_final: 0.6038 (m) REVERT: FF 705 LYS cc_start: 0.8799 (mtmt) cc_final: 0.8519 (mtmt) REVERT: FJ 302 CYS cc_start: 0.6568 (m) cc_final: 0.6235 (m) REVERT: F0 402 CYS cc_start: 0.6966 (m) cc_final: 0.6375 (m) REVERT: F0 405 LYS cc_start: 0.8873 (mtmt) cc_final: 0.8579 (mtmt) REVERT: F6 202 CYS cc_start: 0.6737 (m) cc_final: 0.6262 (m) REVERT: F6 205 LYS cc_start: 0.8701 (mttt) cc_final: 0.8494 (mtpt) REVERT: GC 5 LYS cc_start: 0.8753 (mttt) cc_final: 0.8523 (mttt) REVERT: GK 5 LYS cc_start: 0.8788 (mttt) cc_final: 0.8552 (mmmm) REVERT: GL 105 LYS cc_start: 0.8690 (mttt) cc_final: 0.8448 (mttt) REVERT: GO 402 CYS cc_start: 0.6667 (m) cc_final: 0.6086 (m) REVERT: GO 405 LYS cc_start: 0.8796 (mtmt) cc_final: 0.8512 (mtpt) REVERT: GT 105 LYS cc_start: 0.8733 (mttt) cc_final: 0.8471 (mtpt) REVERT: GU 202 CYS cc_start: 0.6439 (m) cc_final: 0.5940 (m) REVERT: GV 302 CYS cc_start: 0.6680 (m) cc_final: 0.6177 (m) REVERT: GW 405 LYS cc_start: 0.8830 (mtmt) cc_final: 0.8578 (mtmm) REVERT: G4 402 CYS cc_start: 0.6566 (m) cc_final: 0.5997 (m) REVERT: HC 402 CYS cc_start: 0.6666 (m) cc_final: 0.6111 (m) REVERT: HC 405 LYS cc_start: 0.8751 (mtmt) cc_final: 0.8535 (mtmt) REVERT: HM 605 LYS cc_start: 0.8693 (mtmt) cc_final: 0.8352 (mtmt) REVERT: HS 402 CYS cc_start: 0.6630 (m) cc_final: 0.6183 (m) REVERT: HY 202 CYS cc_start: 0.6439 (m) cc_final: 0.5856 (m) REVERT: H7 302 CYS cc_start: 0.6594 (m) cc_final: 0.6112 (m) REVERT: IM 202 CYS cc_start: 0.6559 (m) cc_final: 0.6134 (m) REVERT: IN 302 CYS cc_start: 0.6404 (m) cc_final: 0.6088 (m) REVERT: IR 705 LYS cc_start: 0.8686 (mtmt) cc_final: 0.8322 (mtmt) REVERT: IV 302 CYS cc_start: 0.6717 (m) cc_final: 0.6393 (m) REVERT: IZ 705 LYS cc_start: 0.8834 (mtmt) cc_final: 0.8535 (mtmt) REVERT: I1 105 LYS cc_start: 0.8849 (mttt) cc_final: 0.8587 (mttp) REVERT: I3 302 CYS cc_start: 0.6664 (m) cc_final: 0.6230 (m) REVERT: I5 502 CYS cc_start: 0.6702 (m) cc_final: 0.6254 (m) REVERT: JL 502 CYS cc_start: 0.6779 (m) cc_final: 0.6391 (m) REVERT: JQ 202 CYS cc_start: 0.6683 (m) cc_final: 0.6146 (m) REVERT: J1 502 CYS cc_start: 0.6910 (m) cc_final: 0.6420 (m) REVERT: KE 202 CYS cc_start: 0.6623 (m) cc_final: 0.6144 (m) REVERT: KI 605 LYS cc_start: 0.8723 (mtmt) cc_final: 0.8513 (mtmt) REVERT: KO 402 CYS cc_start: 0.6596 (m) cc_final: 0.6058 (m) REVERT: KY 605 LYS cc_start: 0.8699 (mtmt) cc_final: 0.8342 (mtmt) REVERT: K3 302 CYS cc_start: 0.6629 (m) cc_final: 0.6246 (m) REVERT: LB 302 CYS cc_start: 0.6205 (m) cc_final: 0.5957 (m) REVERT: LE 605 LYS cc_start: 0.8807 (mtmt) cc_final: 0.8305 (mtmt) REVERT: LF 705 LYS cc_start: 0.8682 (mtmt) cc_final: 0.8374 (mtmt) REVERT: LI 202 CYS cc_start: 0.6477 (m) cc_final: 0.5913 (m) REVERT: LK 402 CYS cc_start: 0.6900 (m) cc_final: 0.6474 (m) REVERT: L0 402 CYS cc_start: 0.6932 (m) cc_final: 0.6447 (m) REVERT: L3 705 LYS cc_start: 0.8713 (mtmt) cc_final: 0.8395 (mtmt) REVERT: ML 105 LYS cc_start: 0.8862 (mttt) cc_final: 0.8645 (mttm) REVERT: MT 105 LYS cc_start: 0.8833 (mttt) cc_final: 0.8604 (mtmt) REVERT: M8 5 LYS cc_start: 0.8673 (mttt) cc_final: 0.8411 (mmmm) REVERT: NC 402 CYS cc_start: 0.6560 (m) cc_final: 0.6111 (m) REVERT: NG 5 LYS cc_start: 0.8840 (mttt) cc_final: 0.8626 (mttp) REVERT: NH 105 LYS cc_start: 0.8734 (mttt) cc_final: 0.8523 (mttt) REVERT: NU 605 LYS cc_start: 0.8711 (mtmt) cc_final: 0.8474 (mtmt) REVERT: NY 202 CYS cc_start: 0.6760 (m) cc_final: 0.6222 (m) REVERT: N1 502 CYS cc_start: 0.7001 (m) cc_final: 0.6614 (m) REVERT: N7 302 CYS cc_start: 0.6713 (m) cc_final: 0.6372 (m) REVERT: N8 402 CYS cc_start: 0.6848 (m) cc_final: 0.6429 (m) REVERT: OM 202 CYS cc_start: 0.6553 (m) cc_final: 0.6147 (m) REVERT: PF 705 LYS cc_start: 0.8682 (mtmt) cc_final: 0.8417 (mtmt) REVERT: PJ 302 CYS cc_start: 0.6495 (m) cc_final: 0.6074 (m) REVERT: PL 502 CYS cc_start: 0.6978 (m) cc_final: 0.6584 (m) REVERT: PN 705 LYS cc_start: 0.8775 (mtmt) cc_final: 0.8480 (mtmt) REVERT: PQ 202 CYS cc_start: 0.6672 (m) cc_final: 0.6334 (m) REVERT: PV 705 LYS cc_start: 0.8672 (mtmt) cc_final: 0.8448 (mtmt) REVERT: PY 202 CYS cc_start: 0.6592 (m) cc_final: 0.6081 (m) REVERT: P0 405 LYS cc_start: 0.8852 (mtmt) cc_final: 0.8650 (mtmt) REVERT: P1 502 CYS cc_start: 0.6710 (m) cc_final: 0.6286 (m) REVERT: P5 105 LYS cc_start: 0.8785 (mttt) cc_final: 0.8575 (mttt) REVERT: QL 105 LYS cc_start: 0.8710 (mttt) cc_final: 0.8454 (mtpt) REVERT: QO 405 LYS cc_start: 0.8708 (mtmt) cc_final: 0.8481 (mtpt) REVERT: Q4 402 CYS cc_start: 0.6663 (m) cc_final: 0.6148 (m) REVERT: Q8 5 LYS cc_start: 0.8832 (mttt) cc_final: 0.8607 (mttp) REVERT: Q9 105 LYS cc_start: 0.8747 (mttt) cc_final: 0.8461 (mtpt) REVERT: R0 405 LYS cc_start: 0.8755 (mtmt) cc_final: 0.8554 (mtpt) REVERT: R2 605 LYS cc_start: 0.8726 (mtmt) cc_final: 0.8510 (mtmt) REVERT: R9 502 CYS cc_start: 0.6802 (m) cc_final: 0.6511 (m) REVERT: SA 605 LYS cc_start: 0.8861 (mtmt) cc_final: 0.8538 (mtmm) REVERT: SL 105 LYS cc_start: 0.8669 (mttt) cc_final: 0.8453 (mttm) REVERT: SP 502 CYS cc_start: 0.7109 (m) cc_final: 0.6598 (m) REVERT: SZ 705 LYS cc_start: 0.8618 (mtmt) cc_final: 0.8264 (mtmt) REVERT: S7 705 LYS cc_start: 0.8713 (mtmt) cc_final: 0.8477 (mtmt) REVERT: TG 5 LYS cc_start: 0.8775 (mttt) cc_final: 0.8545 (mtmp) REVERT: TH 105 LYS cc_start: 0.8739 (mttt) cc_final: 0.8513 (mttp) REVERT: TQ 205 LYS cc_start: 0.8669 (mttt) cc_final: 0.8466 (mtpt) REVERT: T1 505 LYS cc_start: 0.8829 (mttt) cc_final: 0.8628 (mtmt) REVERT: UC 5 LYS cc_start: 0.8713 (mttt) cc_final: 0.8473 (mtpm) outliers start: 0 outliers final: 0 residues processed: 1295 average time/residue: 1.5404 time to fit residues: 2506.7419 Evaluate side-chains 1059 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1059 time to evaluate : 4.712 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.8980 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8195 moved from start: 0.2712 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.304 64800 Z= 3.021 Angle : 3.966 39.302 88800 Z= 1.662 Chirality : 0.203 0.983 8000 Planarity : 0.021 0.094 8800 Dihedral : 13.475 59.789 8800 Min Nonbonded Distance : 1.927 Molprobity Statistics. All-atom Clashscore : 25.73 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 4.69 % Allowed : 9.29 % Favored : 86.02 % Cbeta Deviations : 4.09 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.05 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.81 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.055 0.012 TYRIN 303 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1026 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 225 poor density : 801 time to evaluate : 4.811 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: E 402 CYS cc_start: 0.7081 (m) cc_final: 0.6566 (m) REVERT: q 402 CYS cc_start: 0.7067 (m) cc_final: 0.6463 (m) REVERT: AF 302 CYS cc_start: 0.6660 (m) cc_final: 0.6314 (m) REVERT: AF 305 LYS cc_start: 0.9052 (OUTLIER) cc_final: 0.8840 (mttt) REVERT: BK 402 CYS cc_start: 0.6895 (m) cc_final: 0.6537 (m) REVERT: BN 705 LYS cc_start: 0.8760 (OUTLIER) cc_final: 0.8558 (mtmt) REVERT: BV 705 LYS cc_start: 0.8805 (mtmt) cc_final: 0.8525 (mtmt) REVERT: BY 202 CYS cc_start: 0.6226 (m) cc_final: 0.5695 (m) REVERT: B9 502 CYS cc_start: 0.6793 (m) cc_final: 0.6401 (m) REVERT: CM 202 CYS cc_start: 0.7020 (m) cc_final: 0.6610 (m) REVERT: C1 105 LYS cc_start: 0.8983 (OUTLIER) cc_final: 0.8758 (mttt) REVERT: C3 302 CYS cc_start: 0.7013 (m) cc_final: 0.6678 (m) REVERT: DC 408 THR cc_start: 0.8754 (p) cc_final: 0.8545 (p) REVERT: DR 302 CYS cc_start: 0.6886 (m) cc_final: 0.6423 (m) REVERT: DS 405 LYS cc_start: 0.9108 (OUTLIER) cc_final: 0.8286 (mttp) REVERT: DZ 305 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8622 (mtmm) REVERT: D0 402 CYS cc_start: 0.7167 (m) cc_final: 0.6643 (m) REVERT: D7 305 LYS cc_start: 0.9056 (OUTLIER) cc_final: 0.8769 (mttt) REVERT: D9 502 CYS cc_start: 0.7086 (m) cc_final: 0.6732 (m) REVERT: EL 105 LYS cc_start: 0.8791 (mttt) cc_final: 0.8579 (mttt) REVERT: EO 405 LYS cc_start: 0.9023 (OUTLIER) cc_final: 0.8410 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8698 (OUTLIER) cc_final: 0.8089 (mtpt) REVERT: E4 405 LYS cc_start: 0.9089 (OUTLIER) cc_final: 0.8594 (mtmm) REVERT: FF 705 LYS cc_start: 0.8835 (mtmt) cc_final: 0.8616 (mtmt) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6393 (m) REVERT: F0 405 LYS cc_start: 0.9038 (mtmt) cc_final: 0.8810 (mtpt) REVERT: F8 402 CYS cc_start: 0.7270 (m) cc_final: 0.6860 (m) REVERT: GO 402 CYS cc_start: 0.7151 (m) cc_final: 0.6692 (m) REVERT: GW 402 CYS cc_start: 0.7186 (m) cc_final: 0.6884 (m) REVERT: G0 5 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8563 (mttp) REVERT: HC 402 CYS cc_start: 0.7111 (m) cc_final: 0.6738 (m) REVERT: HX 105 LYS cc_start: 0.8915 (mttt) cc_final: 0.8662 (mttp) REVERT: H3 705 LYS cc_start: 0.9013 (OUTLIER) cc_final: 0.8506 (mtmp) REVERT: IE 205 LYS cc_start: 0.8945 (OUTLIER) cc_final: 0.8631 (mttp) REVERT: IJ 705 LYS cc_start: 0.8678 (OUTLIER) cc_final: 0.8031 (mtpt) REVERT: IO 402 CYS cc_start: 0.7126 (m) cc_final: 0.6655 (m) REVERT: IO 405 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8669 (mtmm) REVERT: IP 502 CYS cc_start: 0.7143 (m) cc_final: 0.6519 (m) REVERT: IU 205 LYS cc_start: 0.8916 (OUTLIER) cc_final: 0.8670 (mttt) REVERT: I4 402 CYS cc_start: 0.7039 (m) cc_final: 0.6580 (m) REVERT: I5 505 LYS cc_start: 0.9106 (mttp) cc_final: 0.8901 (mttt) REVERT: J6 202 CYS cc_start: 0.6870 (m) cc_final: 0.6346 (m) REVERT: KG 402 CYS cc_start: 0.7222 (m) cc_final: 0.6646 (m) REVERT: KN 302 CYS cc_start: 0.6815 (m) cc_final: 0.6612 (m) REVERT: KO 405 LYS cc_start: 0.8984 (mtmt) cc_final: 0.8747 (mttp) REVERT: KQ 605 LYS cc_start: 0.8815 (OUTLIER) cc_final: 0.8174 (mtpt) REVERT: K5 502 CYS cc_start: 0.7027 (m) cc_final: 0.6683 (m) REVERT: LN 705 LYS cc_start: 0.8852 (OUTLIER) cc_final: 0.8220 (mtpt) REVERT: L6 202 CYS cc_start: 0.6716 (m) cc_final: 0.6244 (m) REVERT: L8 402 CYS cc_start: 0.7134 (m) cc_final: 0.6809 (m) REVERT: ME 202 CYS cc_start: 0.6338 (m) cc_final: 0.6104 (m) REVERT: M1 105 LYS cc_start: 0.8844 (mttt) cc_final: 0.8611 (mttt) REVERT: M2 205 LYS cc_start: 0.8930 (mttp) cc_final: 0.8707 (mttt) REVERT: NC 402 CYS cc_start: 0.6855 (m) cc_final: 0.6351 (m) REVERT: NI 202 CYS cc_start: 0.7061 (m) cc_final: 0.6535 (m) REVERT: NO 5 LYS cc_start: 0.8977 (OUTLIER) cc_final: 0.8674 (mtmt) REVERT: NZ 302 CYS cc_start: 0.6853 (m) cc_final: 0.6502 (m) REVERT: N0 402 CYS cc_start: 0.6954 (m) cc_final: 0.6505 (m) REVERT: N7 302 CYS cc_start: 0.6766 (m) cc_final: 0.6380 (m) REVERT: OF 302 CYS cc_start: 0.6630 (m) cc_final: 0.6296 (m) REVERT: OG 402 CYS cc_start: 0.7071 (m) cc_final: 0.6662 (m) REVERT: OL 105 LYS cc_start: 0.8811 (mtmt) cc_final: 0.8610 (mttp) REVERT: OO 405 LYS cc_start: 0.9040 (OUTLIER) cc_final: 0.8715 (mtmm) REVERT: OR 705 LYS cc_start: 0.9038 (OUTLIER) cc_final: 0.8508 (mtmp) REVERT: O4 405 LYS cc_start: 0.9074 (OUTLIER) cc_final: 0.8491 (mtmm) REVERT: O7 705 LYS cc_start: 0.8650 (OUTLIER) cc_final: 0.8065 (mtpt) REVERT: O8 5 LYS cc_start: 0.8862 (mttt) cc_final: 0.8632 (mttt) REVERT: PC 402 CYS cc_start: 0.7290 (m) cc_final: 0.6751 (m) REVERT: PN 705 LYS cc_start: 0.8732 (mtmt) cc_final: 0.8476 (mtmt) REVERT: PV 705 LYS cc_start: 0.8705 (mtmt) cc_final: 0.8492 (mtmt) REVERT: P0 402 CYS cc_start: 0.7071 (m) cc_final: 0.6696 (m) REVERT: P0 405 LYS cc_start: 0.8999 (mtmt) cc_final: 0.8797 (mtmt) REVERT: P1 502 CYS cc_start: 0.6860 (m) cc_final: 0.6554 (m) REVERT: QO 405 LYS cc_start: 0.8979 (mtmt) cc_final: 0.8765 (mtpt) REVERT: Q3 305 LYS cc_start: 0.8926 (OUTLIER) cc_final: 0.8689 (mttt) REVERT: RT 502 CYS cc_start: 0.6993 (m) cc_final: 0.6661 (m) REVERT: RU 605 LYS cc_start: 0.8906 (mtmt) cc_final: 0.8651 (mtmt) REVERT: R7 305 LYS cc_start: 0.9029 (OUTLIER) cc_final: 0.8794 (mttt) REVERT: SB 705 LYS cc_start: 0.8927 (OUTLIER) cc_final: 0.8414 (mtmp) REVERT: SD 105 LYS cc_start: 0.8925 (mttt) cc_final: 0.8667 (mttp) REVERT: SL 105 LYS cc_start: 0.8840 (mttt) cc_final: 0.8592 (mttm) REVERT: SR 705 LYS cc_start: 0.8802 (OUTLIER) cc_final: 0.8301 (mtpt) REVERT: S2 202 CYS cc_start: 0.6755 (m) cc_final: 0.6215 (m) REVERT: S7 705 LYS cc_start: 0.8760 (mtmt) cc_final: 0.8554 (mtmt) REVERT: TQ 205 LYS cc_start: 0.8950 (mttt) cc_final: 0.8730 (mttt) REVERT: T0 405 LYS cc_start: 0.9095 (mttp) cc_final: 0.8828 (mttt) REVERT: T1 505 LYS cc_start: 0.9075 (mttt) cc_final: 0.8840 (mttt) REVERT: T5 105 LYS cc_start: 0.8994 (OUTLIER) cc_final: 0.8551 (mttp) REVERT: T7 305 LYS cc_start: 0.9016 (mttt) cc_final: 0.8736 (mttt) REVERT: UG 405 LYS cc_start: 0.9004 (mtmt) cc_final: 0.8794 (mtmt) REVERT: UK 5 LYS cc_start: 0.9104 (OUTLIER) cc_final: 0.8797 (mtmt) outliers start: 225 outliers final: 147 residues processed: 885 average time/residue: 1.5235 time to fit residues: 1698.5244 Evaluate side-chains 909 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 175 poor density : 734 time to evaluate : 5.097 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AF residue 305 LYS Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DS residue 405 LYS Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EK residue 8 THR Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IE residue 205 LYS Chi-restraints excluded: chain II residue 608 THR Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LH residue 108 THR Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OA residue 608 THR Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OV residue 302 CYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R6 residue 202 CYS Chi-restraints excluded: chain R7 residue 305 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S0 residue 8 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8198 moved from start: 0.2669 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.296 64800 Z= 2.998 Angle : 3.945 37.077 88800 Z= 1.662 Chirality : 0.205 0.943 8000 Planarity : 0.022 0.096 8800 Dihedral : 13.403 59.775 8800 Min Nonbonded Distance : 1.925 Molprobity Statistics. All-atom Clashscore : 25.52 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.52 % Allowed : 10.42 % Favored : 84.06 % Cbeta Deviations : 4.12 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.05 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.88 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.68 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.054 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1036 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 265 poor density : 771 time to evaluate : 4.764 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7182 (m) cc_final: 0.6817 (m) REVERT: q 402 CYS cc_start: 0.7072 (m) cc_final: 0.6494 (m) REVERT: AF 302 CYS cc_start: 0.6633 (m) cc_final: 0.6317 (m) REVERT: AF 305 LYS cc_start: 0.9051 (OUTLIER) cc_final: 0.8851 (mttt) REVERT: AZ 705 LYS cc_start: 0.8975 (OUTLIER) cc_final: 0.8763 (mtmt) REVERT: BK 402 CYS cc_start: 0.6771 (m) cc_final: 0.6405 (m) REVERT: BN 705 LYS cc_start: 0.8747 (OUTLIER) cc_final: 0.8207 (mtpt) REVERT: BY 202 CYS cc_start: 0.6249 (m) cc_final: 0.5729 (m) REVERT: B7 302 CYS cc_start: 0.7068 (m) cc_final: 0.6511 (m) REVERT: B9 502 CYS cc_start: 0.6805 (m) cc_final: 0.6423 (m) REVERT: CE 202 CYS cc_start: 0.6594 (m) cc_final: 0.6173 (m) REVERT: CM 202 CYS cc_start: 0.7021 (m) cc_final: 0.6587 (m) REVERT: C3 302 CYS cc_start: 0.7045 (m) cc_final: 0.6729 (m) REVERT: DC 408 THR cc_start: 0.8721 (p) cc_final: 0.8518 (p) REVERT: DR 302 CYS cc_start: 0.6973 (m) cc_final: 0.6570 (m) REVERT: DZ 302 CYS cc_start: 0.6584 (m) cc_final: 0.6329 (m) REVERT: DZ 305 LYS cc_start: 0.9013 (OUTLIER) cc_final: 0.8644 (mtmm) REVERT: D0 402 CYS cc_start: 0.7161 (m) cc_final: 0.6621 (m) REVERT: D7 305 LYS cc_start: 0.9053 (OUTLIER) cc_final: 0.8797 (mttt) REVERT: D8 402 CYS cc_start: 0.7010 (m) cc_final: 0.6667 (m) REVERT: D9 502 CYS cc_start: 0.7057 (m) cc_final: 0.6714 (m) REVERT: EO 405 LYS cc_start: 0.9029 (OUTLIER) cc_final: 0.8431 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8709 (OUTLIER) cc_final: 0.8126 (mtpt) REVERT: E4 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8580 (mtmm) REVERT: FV 705 LYS cc_start: 0.8932 (OUTLIER) cc_final: 0.8722 (mtmm) REVERT: FY 202 CYS cc_start: 0.6978 (m) cc_final: 0.6497 (m) REVERT: F0 405 LYS cc_start: 0.9026 (mtmt) cc_final: 0.8778 (mtmt) REVERT: F6 202 CYS cc_start: 0.6990 (m) cc_final: 0.6508 (m) REVERT: GO 402 CYS cc_start: 0.7117 (m) cc_final: 0.6657 (m) REVERT: GW 402 CYS cc_start: 0.7118 (m) cc_final: 0.6827 (m) REVERT: G0 5 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8575 (mttp) REVERT: HC 402 CYS cc_start: 0.7181 (m) cc_final: 0.6847 (m) REVERT: HD 502 CYS cc_start: 0.7193 (m) cc_final: 0.6735 (m) REVERT: HE 605 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8509 (mtmt) REVERT: HT 502 CYS cc_start: 0.7173 (m) cc_final: 0.6895 (m) REVERT: HX 105 LYS cc_start: 0.8882 (mttt) cc_final: 0.8671 (mttp) REVERT: H3 705 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8509 (mtmp) REVERT: H9 502 CYS cc_start: 0.7147 (m) cc_final: 0.6776 (m) REVERT: IE 202 CYS cc_start: 0.6625 (m) cc_final: 0.6212 (m) REVERT: IJ 705 LYS cc_start: 0.8647 (OUTLIER) cc_final: 0.7983 (mtpt) REVERT: IM 202 CYS cc_start: 0.6556 (m) cc_final: 0.6242 (m) REVERT: IO 402 CYS cc_start: 0.7133 (m) cc_final: 0.6660 (m) REVERT: IO 405 LYS cc_start: 0.8997 (OUTLIER) cc_final: 0.8570 (mtmm) REVERT: IP 502 CYS cc_start: 0.7128 (m) cc_final: 0.6509 (m) REVERT: IR 705 LYS cc_start: 0.8722 (mtmt) cc_final: 0.8441 (mtmt) REVERT: IU 205 LYS cc_start: 0.8910 (OUTLIER) cc_final: 0.8658 (mttt) REVERT: I4 402 CYS cc_start: 0.7091 (m) cc_final: 0.6667 (m) REVERT: JZ 302 CYS cc_start: 0.6916 (m) cc_final: 0.6579 (m) REVERT: J4 5 LYS cc_start: 0.9107 (OUTLIER) cc_final: 0.8776 (mttm) REVERT: J6 202 CYS cc_start: 0.6882 (m) cc_final: 0.6362 (m) REVERT: KG 402 CYS cc_start: 0.7222 (m) cc_final: 0.6655 (m) REVERT: KQ 605 LYS cc_start: 0.8809 (OUTLIER) cc_final: 0.8170 (mtpt) REVERT: KX 502 CYS cc_start: 0.7167 (m) cc_final: 0.6689 (m) REVERT: K5 502 CYS cc_start: 0.7044 (m) cc_final: 0.6685 (m) REVERT: K8 5 LYS cc_start: 0.8957 (OUTLIER) cc_final: 0.8754 (mttt) REVERT: LK 402 CYS cc_start: 0.7237 (m) cc_final: 0.6696 (m) REVERT: LN 705 LYS cc_start: 0.8783 (OUTLIER) cc_final: 0.8147 (mtpt) REVERT: LY 205 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8430 (mtmm) REVERT: L3 705 LYS cc_start: 0.8782 (mtmt) cc_final: 0.8566 (mtmt) REVERT: L6 202 CYS cc_start: 0.6719 (m) cc_final: 0.6273 (m) REVERT: L8 402 CYS cc_start: 0.7142 (m) cc_final: 0.6840 (m) REVERT: ME 202 CYS cc_start: 0.6335 (m) cc_final: 0.6002 (m) REVERT: M2 205 LYS cc_start: 0.8959 (mttp) cc_final: 0.8752 (mttt) REVERT: NC 402 CYS cc_start: 0.6862 (m) cc_final: 0.6376 (m) REVERT: NO 5 LYS cc_start: 0.8981 (OUTLIER) cc_final: 0.8697 (mtmt) REVERT: NR 302 CYS cc_start: 0.6756 (m) cc_final: 0.6435 (m) REVERT: NS 402 CYS cc_start: 0.7070 (m) cc_final: 0.6800 (m) REVERT: NZ 302 CYS cc_start: 0.6779 (m) cc_final: 0.6462 (m) REVERT: N0 402 CYS cc_start: 0.6972 (m) cc_final: 0.6546 (m) REVERT: N7 302 CYS cc_start: 0.6710 (m) cc_final: 0.6326 (m) REVERT: OF 302 CYS cc_start: 0.6629 (m) cc_final: 0.6301 (m) REVERT: OG 402 CYS cc_start: 0.7102 (m) cc_final: 0.6714 (m) REVERT: OO 405 LYS cc_start: 0.9042 (OUTLIER) cc_final: 0.8714 (mtmm) REVERT: OR 705 LYS cc_start: 0.9029 (OUTLIER) cc_final: 0.8495 (mtmp) REVERT: O1 105 LYS cc_start: 0.8940 (OUTLIER) cc_final: 0.8670 (mttp) REVERT: O2 202 CYS cc_start: 0.6890 (m) cc_final: 0.6374 (m) REVERT: O4 405 LYS cc_start: 0.9055 (OUTLIER) cc_final: 0.8456 (mtmm) REVERT: O7 705 LYS cc_start: 0.8644 (OUTLIER) cc_final: 0.8030 (mtpt) REVERT: O8 5 LYS cc_start: 0.8863 (mttt) cc_final: 0.8642 (mttt) REVERT: PC 402 CYS cc_start: 0.7291 (m) cc_final: 0.6792 (m) REVERT: PY 202 CYS cc_start: 0.6901 (m) cc_final: 0.6495 (m) REVERT: P0 402 CYS cc_start: 0.7106 (m) cc_final: 0.6734 (m) REVERT: P0 405 LYS cc_start: 0.8998 (mtmt) cc_final: 0.8753 (mtmt) REVERT: P1 502 CYS cc_start: 0.6907 (m) cc_final: 0.6609 (m) REVERT: Q3 305 LYS cc_start: 0.8935 (OUTLIER) cc_final: 0.8706 (mttt) REVERT: Q4 402 CYS cc_start: 0.6776 (m) cc_final: 0.6280 (m) REVERT: RB 302 CYS cc_start: 0.6947 (m) cc_final: 0.6551 (m) REVERT: RT 502 CYS cc_start: 0.7023 (m) cc_final: 0.6697 (m) REVERT: RU 605 LYS cc_start: 0.8909 (mtmt) cc_final: 0.8630 (mtmt) REVERT: R8 405 LYS cc_start: 0.9034 (OUTLIER) cc_final: 0.8350 (mtmm) REVERT: SB 705 LYS cc_start: 0.8913 (OUTLIER) cc_final: 0.8396 (mtmp) REVERT: SD 105 LYS cc_start: 0.8894 (mttt) cc_final: 0.8584 (mttp) REVERT: SP 505 LYS cc_start: 0.9008 (OUTLIER) cc_final: 0.8700 (mtpt) REVERT: SR 705 LYS cc_start: 0.8831 (OUTLIER) cc_final: 0.8320 (mtpt) REVERT: SU 202 CYS cc_start: 0.6586 (m) cc_final: 0.6166 (m) REVERT: SU 205 LYS cc_start: 0.8997 (OUTLIER) cc_final: 0.8411 (mtmm) REVERT: S2 202 CYS cc_start: 0.6648 (m) cc_final: 0.6149 (m) REVERT: TA 202 CYS cc_start: 0.6736 (m) cc_final: 0.6327 (m) REVERT: TX 105 LYS cc_start: 0.8900 (OUTLIER) cc_final: 0.8539 (mttt) REVERT: T0 405 LYS cc_start: 0.9095 (mttp) cc_final: 0.8809 (mttt) REVERT: UK 5 LYS cc_start: 0.9104 (OUTLIER) cc_final: 0.8801 (mtmt) outliers start: 265 outliers final: 183 residues processed: 870 average time/residue: 1.4418 time to fit residues: 1592.7596 Evaluate side-chains 944 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 217 poor density : 727 time to evaluate : 4.773 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AF residue 305 LYS Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AZ residue 705 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BM residue 608 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BO residue 8 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 705 LYS Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HB residue 305 LYS Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain II residue 608 THR Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IT residue 105 LYS Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 5 LYS Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2680 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.295 64800 Z= 3.010 Angle : 3.956 37.252 88800 Z= 1.664 Chirality : 0.208 0.925 8000 Planarity : 0.022 0.096 8800 Dihedral : 13.394 59.825 8800 Min Nonbonded Distance : 1.936 Molprobity Statistics. All-atom Clashscore : 25.60 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.62 % Allowed : 10.75 % Favored : 83.62 % Cbeta Deviations : 4.23 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.84 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.65 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.055 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1022 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 270 poor density : 752 time to evaluate : 5.054 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7131 (m) cc_final: 0.6765 (m) REVERT: R 105 LYS cc_start: 0.9059 (OUTLIER) cc_final: 0.8481 (mtpp) REVERT: U 402 CYS cc_start: 0.7095 (m) cc_final: 0.6712 (m) REVERT: q 402 CYS cc_start: 0.7073 (m) cc_final: 0.6492 (m) REVERT: AF 302 CYS cc_start: 0.6624 (m) cc_final: 0.6308 (m) REVERT: BK 402 CYS cc_start: 0.6871 (m) cc_final: 0.6503 (m) REVERT: BN 705 LYS cc_start: 0.8749 (OUTLIER) cc_final: 0.8216 (mtpt) REVERT: BY 202 CYS cc_start: 0.6303 (m) cc_final: 0.5795 (m) REVERT: B7 302 CYS cc_start: 0.7076 (m) cc_final: 0.6515 (m) REVERT: B9 502 CYS cc_start: 0.6809 (m) cc_final: 0.6430 (m) REVERT: CE 202 CYS cc_start: 0.6603 (m) cc_final: 0.6189 (m) REVERT: CM 202 CYS cc_start: 0.7023 (m) cc_final: 0.6592 (m) REVERT: C1 105 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8749 (mttm) REVERT: C3 302 CYS cc_start: 0.7071 (m) cc_final: 0.6763 (m) REVERT: DR 302 CYS cc_start: 0.6904 (m) cc_final: 0.6492 (m) REVERT: DY 202 CYS cc_start: 0.7182 (m) cc_final: 0.6685 (m) REVERT: DZ 302 CYS cc_start: 0.6593 (m) cc_final: 0.6349 (m) REVERT: DZ 305 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8695 (mtmm) REVERT: D0 402 CYS cc_start: 0.7160 (m) cc_final: 0.6620 (m) REVERT: D7 305 LYS cc_start: 0.9054 (OUTLIER) cc_final: 0.8773 (mttt) REVERT: D9 502 CYS cc_start: 0.7060 (m) cc_final: 0.6697 (m) REVERT: EO 405 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8391 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8709 (OUTLIER) cc_final: 0.8129 (mtpt) REVERT: E4 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8579 (mtmm) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6503 (m) REVERT: F0 405 LYS cc_start: 0.9015 (mtmt) cc_final: 0.8803 (mtmt) REVERT: F6 202 CYS cc_start: 0.7056 (m) cc_final: 0.6580 (m) REVERT: GO 402 CYS cc_start: 0.7122 (m) cc_final: 0.6679 (m) REVERT: GW 402 CYS cc_start: 0.7130 (m) cc_final: 0.6845 (m) REVERT: G0 5 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8571 (mttp) REVERT: HC 402 CYS cc_start: 0.7190 (m) cc_final: 0.6871 (m) REVERT: HE 605 LYS cc_start: 0.8828 (OUTLIER) cc_final: 0.8494 (mtmt) REVERT: H3 705 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8509 (mtmp) REVERT: H9 502 CYS cc_start: 0.7160 (m) cc_final: 0.6789 (m) REVERT: IJ 705 LYS cc_start: 0.8656 (OUTLIER) cc_final: 0.7995 (mtpt) REVERT: IO 402 CYS cc_start: 0.7137 (m) cc_final: 0.6659 (m) REVERT: IO 405 LYS cc_start: 0.8998 (OUTLIER) cc_final: 0.8579 (mtmm) REVERT: IP 502 CYS cc_start: 0.7132 (m) cc_final: 0.6532 (m) REVERT: IU 205 LYS cc_start: 0.8908 (OUTLIER) cc_final: 0.8619 (mttt) REVERT: I4 402 CYS cc_start: 0.7099 (m) cc_final: 0.6675 (m) REVERT: JH 105 LYS cc_start: 0.8870 (OUTLIER) cc_final: 0.8597 (mttp) REVERT: JP 105 LYS cc_start: 0.9073 (OUTLIER) cc_final: 0.8593 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6929 (m) cc_final: 0.6604 (m) REVERT: J6 202 CYS cc_start: 0.6885 (m) cc_final: 0.6374 (m) REVERT: J8 402 CYS cc_start: 0.6814 (m) cc_final: 0.6429 (m) REVERT: KG 402 CYS cc_start: 0.7218 (m) cc_final: 0.6649 (m) REVERT: KQ 605 LYS cc_start: 0.8813 (OUTLIER) cc_final: 0.8183 (mtpt) REVERT: KX 502 CYS cc_start: 0.7168 (m) cc_final: 0.6687 (m) REVERT: K5 502 CYS cc_start: 0.7054 (m) cc_final: 0.6692 (m) REVERT: LK 402 CYS cc_start: 0.7240 (m) cc_final: 0.6707 (m) REVERT: LN 705 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.8143 (mtpt) REVERT: LR 302 CYS cc_start: 0.7072 (m) cc_final: 0.6646 (m) REVERT: LY 205 LYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8403 (mtmm) REVERT: L6 202 CYS cc_start: 0.6720 (m) cc_final: 0.6276 (m) REVERT: L8 402 CYS cc_start: 0.7145 (m) cc_final: 0.6847 (m) REVERT: ME 202 CYS cc_start: 0.6350 (m) cc_final: 0.6027 (m) REVERT: M2 205 LYS cc_start: 0.8961 (mttp) cc_final: 0.8755 (mttt) REVERT: NC 402 CYS cc_start: 0.6859 (m) cc_final: 0.6378 (m) REVERT: NO 5 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8694 (mtmt) REVERT: NR 302 CYS cc_start: 0.6709 (m) cc_final: 0.6391 (m) REVERT: NZ 302 CYS cc_start: 0.6834 (m) cc_final: 0.6524 (m) REVERT: N0 402 CYS cc_start: 0.6957 (m) cc_final: 0.6528 (m) REVERT: N7 302 CYS cc_start: 0.6727 (m) cc_final: 0.6347 (m) REVERT: OF 302 CYS cc_start: 0.6634 (m) cc_final: 0.6303 (m) REVERT: OG 402 CYS cc_start: 0.7054 (m) cc_final: 0.6668 (m) REVERT: ON 302 CYS cc_start: 0.6733 (m) cc_final: 0.6398 (m) REVERT: OO 405 LYS cc_start: 0.9049 (OUTLIER) cc_final: 0.8729 (mtmm) REVERT: OR 705 LYS cc_start: 0.9028 (OUTLIER) cc_final: 0.8500 (mtmp) REVERT: OU 202 CYS cc_start: 0.6951 (m) cc_final: 0.6365 (m) REVERT: OW 405 LYS cc_start: 0.9064 (OUTLIER) cc_final: 0.8849 (mtmm) REVERT: O4 405 LYS cc_start: 0.9060 (OUTLIER) cc_final: 0.8458 (mtmm) REVERT: O7 705 LYS cc_start: 0.8646 (OUTLIER) cc_final: 0.8042 (mtpt) REVERT: O8 5 LYS cc_start: 0.8871 (mttt) cc_final: 0.8642 (mttt) REVERT: PC 402 CYS cc_start: 0.7294 (m) cc_final: 0.6792 (m) REVERT: PY 202 CYS cc_start: 0.6906 (m) cc_final: 0.6509 (m) REVERT: P0 402 CYS cc_start: 0.7109 (m) cc_final: 0.6740 (m) REVERT: P0 405 LYS cc_start: 0.9006 (mtmt) cc_final: 0.8738 (mtmt) REVERT: P1 502 CYS cc_start: 0.6914 (m) cc_final: 0.6634 (m) REVERT: QM 202 CYS cc_start: 0.6924 (m) cc_final: 0.6450 (m) REVERT: Q3 305 LYS cc_start: 0.8936 (OUTLIER) cc_final: 0.8714 (mttt) REVERT: Q4 402 CYS cc_start: 0.6779 (m) cc_final: 0.6299 (m) REVERT: RB 302 CYS cc_start: 0.6958 (m) cc_final: 0.6559 (m) REVERT: RJ 302 CYS cc_start: 0.6495 (m) cc_final: 0.6252 (m) REVERT: RT 502 CYS cc_start: 0.7025 (m) cc_final: 0.6700 (m) REVERT: RU 605 LYS cc_start: 0.8946 (mtmt) cc_final: 0.8658 (mtmt) REVERT: RY 202 CYS cc_start: 0.6955 (m) cc_final: 0.6370 (m) REVERT: R8 405 LYS cc_start: 0.9030 (OUTLIER) cc_final: 0.8404 (mtmm) REVERT: SB 705 LYS cc_start: 0.8914 (OUTLIER) cc_final: 0.8397 (mtmp) REVERT: SD 105 LYS cc_start: 0.8899 (mttt) cc_final: 0.8587 (mttp) REVERT: SP 505 LYS cc_start: 0.9004 (OUTLIER) cc_final: 0.8735 (mtpt) REVERT: SR 705 LYS cc_start: 0.8832 (OUTLIER) cc_final: 0.8324 (mtpt) REVERT: SU 205 LYS cc_start: 0.8980 (OUTLIER) cc_final: 0.8655 (mtmm) REVERT: S2 202 CYS cc_start: 0.6660 (m) cc_final: 0.6174 (m) REVERT: TA 202 CYS cc_start: 0.6723 (m) cc_final: 0.6326 (m) REVERT: TI 202 CYS cc_start: 0.6338 (m) cc_final: 0.5865 (m) REVERT: TX 105 LYS cc_start: 0.8894 (OUTLIER) cc_final: 0.8566 (mtpt) REVERT: T0 405 LYS cc_start: 0.9096 (mttp) cc_final: 0.8810 (mttt) REVERT: T5 105 LYS cc_start: 0.8953 (OUTLIER) cc_final: 0.8476 (mtpp) REVERT: UK 5 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8792 (mtmt) outliers start: 270 outliers final: 196 residues processed: 850 average time/residue: 1.5045 time to fit residues: 1610.7471 Evaluate side-chains 933 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 230 poor density : 703 time to evaluate : 4.796 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain S residue 205 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain GW residue 405 LYS Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IT residue 105 LYS Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 705 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JH residue 105 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LQ residue 205 LYS Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OA residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain OZ residue 708 THR Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain PY residue 205 LYS Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QC residue 5 LYS Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2689 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.295 64800 Z= 3.014 Angle : 3.956 36.815 88800 Z= 1.665 Chirality : 0.208 0.927 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.398 59.660 8800 Min Nonbonded Distance : 1.934 Molprobity Statistics. All-atom Clashscore : 25.48 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.98 % Allowed : 10.58 % Favored : 83.44 % Cbeta Deviations : 4.06 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.83 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.65 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.054 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1016 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 287 poor density : 729 time to evaluate : 4.880 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7133 (m) cc_final: 0.6770 (m) REVERT: R 105 LYS cc_start: 0.9060 (OUTLIER) cc_final: 0.8493 (mtpp) REVERT: q 402 CYS cc_start: 0.7077 (m) cc_final: 0.6497 (m) REVERT: AF 302 CYS cc_start: 0.6628 (m) cc_final: 0.6317 (m) REVERT: AZ 705 LYS cc_start: 0.8945 (OUTLIER) cc_final: 0.8665 (mtmt) REVERT: BK 402 CYS cc_start: 0.6776 (m) cc_final: 0.6418 (m) REVERT: BN 705 LYS cc_start: 0.8750 (OUTLIER) cc_final: 0.8211 (mtpt) REVERT: BY 202 CYS cc_start: 0.6302 (m) cc_final: 0.5793 (m) REVERT: B7 302 CYS cc_start: 0.7071 (m) cc_final: 0.6520 (m) REVERT: B9 502 CYS cc_start: 0.6808 (m) cc_final: 0.6427 (m) REVERT: CE 202 CYS cc_start: 0.6604 (m) cc_final: 0.6184 (m) REVERT: CM 202 CYS cc_start: 0.7025 (m) cc_final: 0.6591 (m) REVERT: C1 105 LYS cc_start: 0.8966 (OUTLIER) cc_final: 0.8748 (mttm) REVERT: C3 302 CYS cc_start: 0.7019 (m) cc_final: 0.6711 (m) REVERT: DR 302 CYS cc_start: 0.6900 (m) cc_final: 0.6490 (m) REVERT: DZ 302 CYS cc_start: 0.6593 (m) cc_final: 0.6345 (m) REVERT: DZ 305 LYS cc_start: 0.9014 (OUTLIER) cc_final: 0.8671 (mtmm) REVERT: D0 402 CYS cc_start: 0.7163 (m) cc_final: 0.6620 (m) REVERT: D7 305 LYS cc_start: 0.9037 (OUTLIER) cc_final: 0.8771 (mttt) REVERT: D9 502 CYS cc_start: 0.7059 (m) cc_final: 0.6700 (m) REVERT: EO 405 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8395 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8721 (OUTLIER) cc_final: 0.8140 (mtpt) REVERT: E4 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8581 (mtmm) REVERT: FY 202 CYS cc_start: 0.6984 (m) cc_final: 0.6500 (m) REVERT: F6 202 CYS cc_start: 0.7052 (m) cc_final: 0.6576 (m) REVERT: GG 405 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8434 (mtmm) REVERT: GO 402 CYS cc_start: 0.7121 (m) cc_final: 0.6653 (m) REVERT: GW 402 CYS cc_start: 0.7130 (m) cc_final: 0.6847 (m) REVERT: G0 5 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8581 (mttp) REVERT: HC 402 CYS cc_start: 0.7191 (m) cc_final: 0.6870 (m) REVERT: HD 502 CYS cc_start: 0.7257 (m) cc_final: 0.6801 (m) REVERT: HE 605 LYS cc_start: 0.8828 (OUTLIER) cc_final: 0.8482 (mtmt) REVERT: H3 705 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8508 (mtmp) REVERT: H9 502 CYS cc_start: 0.7157 (m) cc_final: 0.6789 (m) REVERT: IE 202 CYS cc_start: 0.6649 (m) cc_final: 0.6219 (m) REVERT: IJ 705 LYS cc_start: 0.8656 (OUTLIER) cc_final: 0.7995 (mtpt) REVERT: IO 402 CYS cc_start: 0.7140 (m) cc_final: 0.6661 (m) REVERT: IO 405 LYS cc_start: 0.8997 (OUTLIER) cc_final: 0.8577 (mtmm) REVERT: IP 502 CYS cc_start: 0.7134 (m) cc_final: 0.6533 (m) REVERT: IU 205 LYS cc_start: 0.8910 (OUTLIER) cc_final: 0.8619 (mttt) REVERT: I4 402 CYS cc_start: 0.7091 (m) cc_final: 0.6672 (m) REVERT: JP 105 LYS cc_start: 0.9071 (OUTLIER) cc_final: 0.8588 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6923 (m) cc_final: 0.6598 (m) REVERT: J4 5 LYS cc_start: 0.9081 (OUTLIER) cc_final: 0.8781 (mttm) REVERT: J6 202 CYS cc_start: 0.6884 (m) cc_final: 0.6373 (m) REVERT: KG 402 CYS cc_start: 0.7216 (m) cc_final: 0.6645 (m) REVERT: KQ 605 LYS cc_start: 0.8813 (OUTLIER) cc_final: 0.8181 (mtpt) REVERT: KX 502 CYS cc_start: 0.7167 (m) cc_final: 0.6685 (m) REVERT: K5 502 CYS cc_start: 0.7052 (m) cc_final: 0.6689 (m) REVERT: K8 5 LYS cc_start: 0.8950 (OUTLIER) cc_final: 0.8746 (mttt) REVERT: LK 402 CYS cc_start: 0.7233 (m) cc_final: 0.6698 (m) REVERT: LN 705 LYS cc_start: 0.8781 (OUTLIER) cc_final: 0.8147 (mtpt) REVERT: LY 205 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8403 (mtmm) REVERT: L0 402 CYS cc_start: 0.7173 (m) cc_final: 0.6774 (m) REVERT: L6 202 CYS cc_start: 0.6716 (m) cc_final: 0.6272 (m) REVERT: L8 402 CYS cc_start: 0.7146 (m) cc_final: 0.6846 (m) REVERT: L8 405 LYS cc_start: 0.9045 (OUTLIER) cc_final: 0.8828 (mtmm) REVERT: ME 202 CYS cc_start: 0.6350 (m) cc_final: 0.6025 (m) REVERT: M2 205 LYS cc_start: 0.8964 (mttp) cc_final: 0.8755 (mttt) REVERT: NC 402 CYS cc_start: 0.6855 (m) cc_final: 0.6376 (m) REVERT: NL 505 LYS cc_start: 0.8926 (mttp) cc_final: 0.8716 (mttt) REVERT: NO 5 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8691 (mtmt) REVERT: NR 302 CYS cc_start: 0.6707 (m) cc_final: 0.6393 (m) REVERT: NS 402 CYS cc_start: 0.7176 (m) cc_final: 0.6857 (m) REVERT: NZ 302 CYS cc_start: 0.6846 (m) cc_final: 0.6541 (m) REVERT: N0 402 CYS cc_start: 0.6949 (m) cc_final: 0.6517 (m) REVERT: N7 302 CYS cc_start: 0.6721 (m) cc_final: 0.6341 (m) REVERT: OF 302 CYS cc_start: 0.6633 (m) cc_final: 0.6302 (m) REVERT: OG 402 CYS cc_start: 0.7102 (m) cc_final: 0.6719 (m) REVERT: OL 105 LYS cc_start: 0.8887 (OUTLIER) cc_final: 0.8173 (mttp) REVERT: ON 302 CYS cc_start: 0.6731 (m) cc_final: 0.6398 (m) REVERT: OO 405 LYS cc_start: 0.9049 (OUTLIER) cc_final: 0.8726 (mtmm) REVERT: OR 705 LYS cc_start: 0.9027 (OUTLIER) cc_final: 0.8501 (mtmp) REVERT: OU 202 CYS cc_start: 0.6979 (m) cc_final: 0.6392 (m) REVERT: OW 405 LYS cc_start: 0.9068 (OUTLIER) cc_final: 0.8832 (mtmm) REVERT: O1 105 LYS cc_start: 0.8948 (OUTLIER) cc_final: 0.8674 (mttp) REVERT: O2 202 CYS cc_start: 0.6857 (m) cc_final: 0.6364 (m) REVERT: O4 405 LYS cc_start: 0.9059 (OUTLIER) cc_final: 0.8466 (mtmm) REVERT: O7 705 LYS cc_start: 0.8647 (OUTLIER) cc_final: 0.8040 (mtpt) REVERT: PC 402 CYS cc_start: 0.7293 (m) cc_final: 0.6790 (m) REVERT: PF 705 LYS cc_start: 0.8627 (mtmt) cc_final: 0.8420 (mtpt) REVERT: PY 202 CYS cc_start: 0.6908 (m) cc_final: 0.6508 (m) REVERT: P0 402 CYS cc_start: 0.7109 (m) cc_final: 0.6742 (m) REVERT: P0 405 LYS cc_start: 0.9007 (mtmt) cc_final: 0.8795 (mtmt) REVERT: P1 502 CYS cc_start: 0.6914 (m) cc_final: 0.6634 (m) REVERT: QM 202 CYS cc_start: 0.6968 (m) cc_final: 0.6558 (m) REVERT: Q3 305 LYS cc_start: 0.8930 (OUTLIER) cc_final: 0.8700 (mttt) REVERT: Q4 402 CYS cc_start: 0.6782 (m) cc_final: 0.6288 (m) REVERT: RB 302 CYS cc_start: 0.6955 (m) cc_final: 0.6560 (m) REVERT: RJ 302 CYS cc_start: 0.6494 (m) cc_final: 0.6251 (m) REVERT: RT 502 CYS cc_start: 0.7026 (m) cc_final: 0.6697 (m) REVERT: RU 605 LYS cc_start: 0.8959 (mtmt) cc_final: 0.8655 (mtmt) REVERT: RY 202 CYS cc_start: 0.6985 (m) cc_final: 0.6402 (m) REVERT: R8 405 LYS cc_start: 0.9032 (OUTLIER) cc_final: 0.8390 (mtmm) REVERT: SB 705 LYS cc_start: 0.8913 (OUTLIER) cc_final: 0.8399 (mtmp) REVERT: SD 105 LYS cc_start: 0.8902 (mttt) cc_final: 0.8652 (mttp) REVERT: SP 505 LYS cc_start: 0.9003 (OUTLIER) cc_final: 0.8735 (mtpt) REVERT: SR 705 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8322 (mtpt) REVERT: SU 205 LYS cc_start: 0.8979 (OUTLIER) cc_final: 0.8614 (mtmm) REVERT: S2 202 CYS cc_start: 0.6662 (m) cc_final: 0.6178 (m) REVERT: TA 202 CYS cc_start: 0.6728 (m) cc_final: 0.6328 (m) REVERT: TQ 205 LYS cc_start: 0.9029 (OUTLIER) cc_final: 0.8810 (mttp) REVERT: TX 105 LYS cc_start: 0.8895 (OUTLIER) cc_final: 0.8567 (mtpt) REVERT: T0 405 LYS cc_start: 0.9095 (mttp) cc_final: 0.8816 (mttt) REVERT: T5 105 LYS cc_start: 0.8954 (OUTLIER) cc_final: 0.8482 (mtpp) REVERT: UK 5 LYS cc_start: 0.9097 (OUTLIER) cc_final: 0.8795 (mtmt) REVERT: UL 105 LYS cc_start: 0.9063 (OUTLIER) cc_final: 0.8725 (mttp) outliers start: 287 outliers final: 210 residues processed: 840 average time/residue: 1.5090 time to fit residues: 1594.8311 Evaluate side-chains 949 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 252 poor density : 697 time to evaluate : 4.706 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain j residue 508 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AF residue 305 LYS Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AW residue 402 CYS Chi-restraints excluded: chain AZ residue 705 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BM residue 608 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DH residue 105 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D3 residue 705 LYS Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FK residue 408 THR Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GG residue 405 LYS Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GN residue 308 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HB residue 305 LYS Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain HZ residue 305 LYS Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IT residue 105 LYS Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 5 LYS Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain L8 residue 405 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OA residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OL residue 105 LYS Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain OZ residue 708 THR Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PL residue 505 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RB residue 305 LYS Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TB residue 306 VAL Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TQ residue 205 LYS Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UL residue 105 LYS Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2695 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.294 64800 Z= 3.015 Angle : 3.957 36.796 88800 Z= 1.665 Chirality : 0.209 0.926 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.407 59.731 8800 Min Nonbonded Distance : 1.936 Molprobity Statistics. All-atom Clashscore : 25.56 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.15 % Allowed : 10.67 % Favored : 83.19 % Cbeta Deviations : 4.11 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.83 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.64 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.055 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1020 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 295 poor density : 725 time to evaluate : 4.882 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7128 (m) cc_final: 0.6760 (m) REVERT: R 105 LYS cc_start: 0.9062 (OUTLIER) cc_final: 0.8502 (mtpp) REVERT: U 402 CYS cc_start: 0.7201 (m) cc_final: 0.6799 (m) REVERT: q 402 CYS cc_start: 0.7077 (m) cc_final: 0.6499 (m) REVERT: AF 302 CYS cc_start: 0.6631 (m) cc_final: 0.6319 (m) REVERT: AZ 705 LYS cc_start: 0.8979 (OUTLIER) cc_final: 0.8696 (mtmt) REVERT: BK 402 CYS cc_start: 0.6873 (m) cc_final: 0.6509 (m) REVERT: BN 705 LYS cc_start: 0.8750 (OUTLIER) cc_final: 0.8212 (mtpt) REVERT: BY 202 CYS cc_start: 0.6305 (m) cc_final: 0.5795 (m) REVERT: B7 302 CYS cc_start: 0.7006 (m) cc_final: 0.6449 (m) REVERT: B9 502 CYS cc_start: 0.6808 (m) cc_final: 0.6428 (m) REVERT: CE 202 CYS cc_start: 0.6607 (m) cc_final: 0.6193 (m) REVERT: CM 202 CYS cc_start: 0.7027 (m) cc_final: 0.6595 (m) REVERT: C1 105 LYS cc_start: 0.8964 (OUTLIER) cc_final: 0.8748 (mttm) REVERT: C3 302 CYS cc_start: 0.7020 (m) cc_final: 0.6714 (m) REVERT: DR 302 CYS cc_start: 0.6905 (m) cc_final: 0.6498 (m) REVERT: DZ 302 CYS cc_start: 0.6597 (m) cc_final: 0.6349 (m) REVERT: DZ 305 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8678 (mtmm) REVERT: D7 305 LYS cc_start: 0.9036 (OUTLIER) cc_final: 0.8760 (mttt) REVERT: D9 502 CYS cc_start: 0.7062 (m) cc_final: 0.6707 (m) REVERT: EO 405 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8394 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8719 (OUTLIER) cc_final: 0.8129 (mtpt) REVERT: E4 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8580 (mtmm) REVERT: FY 202 CYS cc_start: 0.6986 (m) cc_final: 0.6522 (m) REVERT: F6 202 CYS cc_start: 0.7055 (m) cc_final: 0.6580 (m) REVERT: GG 405 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8432 (mtmm) REVERT: GO 402 CYS cc_start: 0.7119 (m) cc_final: 0.6648 (m) REVERT: GW 402 CYS cc_start: 0.7127 (m) cc_final: 0.6847 (m) REVERT: G0 5 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8575 (mttp) REVERT: HC 402 CYS cc_start: 0.7191 (m) cc_final: 0.6871 (m) REVERT: HE 605 LYS cc_start: 0.8828 (OUTLIER) cc_final: 0.8480 (mtmt) REVERT: H3 705 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8506 (mtmp) REVERT: H9 502 CYS cc_start: 0.7158 (m) cc_final: 0.6791 (m) REVERT: IE 202 CYS cc_start: 0.6617 (m) cc_final: 0.6246 (m) REVERT: IJ 705 LYS cc_start: 0.8658 (OUTLIER) cc_final: 0.7996 (mtpt) REVERT: IO 402 CYS cc_start: 0.7139 (m) cc_final: 0.6661 (m) REVERT: IO 405 LYS cc_start: 0.8998 (OUTLIER) cc_final: 0.8576 (mtmm) REVERT: IP 502 CYS cc_start: 0.7136 (m) cc_final: 0.6532 (m) REVERT: IU 205 LYS cc_start: 0.8910 (OUTLIER) cc_final: 0.8619 (mttt) REVERT: I4 402 CYS cc_start: 0.7093 (m) cc_final: 0.6675 (m) REVERT: JH 105 LYS cc_start: 0.8902 (OUTLIER) cc_final: 0.8636 (mttp) REVERT: JO 5 LYS cc_start: 0.8990 (OUTLIER) cc_final: 0.8689 (mtpt) REVERT: JP 105 LYS cc_start: 0.9073 (OUTLIER) cc_final: 0.8596 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6928 (m) cc_final: 0.6601 (m) REVERT: J4 5 LYS cc_start: 0.9086 (OUTLIER) cc_final: 0.8775 (mttm) REVERT: J6 202 CYS cc_start: 0.6885 (m) cc_final: 0.6375 (m) REVERT: KG 402 CYS cc_start: 0.7220 (m) cc_final: 0.6650 (m) REVERT: KQ 605 LYS cc_start: 0.8814 (OUTLIER) cc_final: 0.8196 (mtpt) REVERT: KX 502 CYS cc_start: 0.7166 (m) cc_final: 0.6683 (m) REVERT: K5 502 CYS cc_start: 0.7056 (m) cc_final: 0.6692 (m) REVERT: LK 402 CYS cc_start: 0.7239 (m) cc_final: 0.6701 (m) REVERT: LN 705 LYS cc_start: 0.8782 (OUTLIER) cc_final: 0.8148 (mtpt) REVERT: LV 705 LYS cc_start: 0.8742 (OUTLIER) cc_final: 0.8533 (mtpt) REVERT: LY 205 LYS cc_start: 0.9013 (OUTLIER) cc_final: 0.8398 (mtmm) REVERT: L6 202 CYS cc_start: 0.6720 (m) cc_final: 0.6275 (m) REVERT: L8 402 CYS cc_start: 0.7149 (m) cc_final: 0.6846 (m) REVERT: L8 405 LYS cc_start: 0.9045 (OUTLIER) cc_final: 0.8828 (mtmm) REVERT: ME 202 CYS cc_start: 0.6357 (m) cc_final: 0.6030 (m) REVERT: M2 205 LYS cc_start: 0.8963 (mttp) cc_final: 0.8757 (mttt) REVERT: NC 402 CYS cc_start: 0.6855 (m) cc_final: 0.6375 (m) REVERT: NL 505 LYS cc_start: 0.8928 (mttp) cc_final: 0.8717 (mttt) REVERT: NO 5 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8690 (mtmt) REVERT: NR 302 CYS cc_start: 0.6711 (m) cc_final: 0.6402 (m) REVERT: NZ 302 CYS cc_start: 0.6836 (m) cc_final: 0.6529 (m) REVERT: N0 402 CYS cc_start: 0.6956 (m) cc_final: 0.6524 (m) REVERT: N7 302 CYS cc_start: 0.6726 (m) cc_final: 0.6347 (m) REVERT: OF 302 CYS cc_start: 0.6631 (m) cc_final: 0.6298 (m) REVERT: OG 402 CYS cc_start: 0.7099 (m) cc_final: 0.6717 (m) REVERT: OL 105 LYS cc_start: 0.8890 (OUTLIER) cc_final: 0.8177 (mttp) REVERT: ON 302 CYS cc_start: 0.6732 (m) cc_final: 0.6403 (m) REVERT: OO 405 LYS cc_start: 0.9049 (OUTLIER) cc_final: 0.8727 (mtmm) REVERT: OR 705 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8499 (mtmp) REVERT: OU 202 CYS cc_start: 0.6965 (m) cc_final: 0.6380 (m) REVERT: OW 405 LYS cc_start: 0.9067 (OUTLIER) cc_final: 0.8828 (mtmm) REVERT: O1 105 LYS cc_start: 0.8950 (OUTLIER) cc_final: 0.8684 (mttp) REVERT: O4 405 LYS cc_start: 0.9058 (OUTLIER) cc_final: 0.8465 (mtmm) REVERT: O7 705 LYS cc_start: 0.8646 (OUTLIER) cc_final: 0.8040 (mtpt) REVERT: PC 402 CYS cc_start: 0.7296 (m) cc_final: 0.6796 (m) REVERT: PF 705 LYS cc_start: 0.8666 (mtmt) cc_final: 0.8414 (mtpt) REVERT: PY 202 CYS cc_start: 0.6911 (m) cc_final: 0.6513 (m) REVERT: P0 402 CYS cc_start: 0.7108 (m) cc_final: 0.6741 (m) REVERT: P0 405 LYS cc_start: 0.9012 (mtmt) cc_final: 0.8789 (mtmt) REVERT: P1 502 CYS cc_start: 0.6911 (m) cc_final: 0.6637 (m) REVERT: QM 202 CYS cc_start: 0.6947 (m) cc_final: 0.6485 (m) REVERT: Q3 305 LYS cc_start: 0.8931 (OUTLIER) cc_final: 0.8703 (mttt) REVERT: Q4 402 CYS cc_start: 0.6784 (m) cc_final: 0.6300 (m) REVERT: RB 302 CYS cc_start: 0.6960 (m) cc_final: 0.6562 (m) REVERT: RJ 302 CYS cc_start: 0.6498 (m) cc_final: 0.6257 (m) REVERT: RN 705 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.8574 (mtmt) REVERT: RT 502 CYS cc_start: 0.7025 (m) cc_final: 0.6692 (m) REVERT: RY 202 CYS cc_start: 0.6992 (m) cc_final: 0.6419 (m) REVERT: R8 405 LYS cc_start: 0.9033 (OUTLIER) cc_final: 0.8415 (mtmm) REVERT: SB 705 LYS cc_start: 0.8914 (OUTLIER) cc_final: 0.8399 (mtmp) REVERT: SD 105 LYS cc_start: 0.8919 (mttt) cc_final: 0.8669 (mttp) REVERT: SP 505 LYS cc_start: 0.9004 (OUTLIER) cc_final: 0.8738 (mtpt) REVERT: SR 705 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8321 (mtpt) REVERT: SU 205 LYS cc_start: 0.8978 (OUTLIER) cc_final: 0.8310 (mtmm) REVERT: S2 202 CYS cc_start: 0.6659 (m) cc_final: 0.6176 (m) REVERT: TA 202 CYS cc_start: 0.6727 (m) cc_final: 0.6329 (m) REVERT: TI 202 CYS cc_start: 0.6524 (m) cc_final: 0.6077 (m) REVERT: TQ 205 LYS cc_start: 0.9034 (OUTLIER) cc_final: 0.8816 (mttp) REVERT: TX 105 LYS cc_start: 0.8915 (OUTLIER) cc_final: 0.8587 (mtpt) REVERT: T0 405 LYS cc_start: 0.9096 (mttp) cc_final: 0.8818 (mttt) REVERT: T5 105 LYS cc_start: 0.8950 (OUTLIER) cc_final: 0.8476 (mtpp) REVERT: UK 5 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8790 (mtmt) REVERT: UL 105 LYS cc_start: 0.9062 (OUTLIER) cc_final: 0.8719 (mttp) outliers start: 295 outliers final: 224 residues processed: 839 average time/residue: 1.6126 time to fit residues: 1740.2349 Evaluate side-chains 958 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 269 poor density : 689 time to evaluate : 4.850 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain S residue 205 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain j residue 508 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AF residue 305 LYS Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 705 LYS Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AZ residue 705 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain BZ residue 306 VAL Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DH residue 105 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FK residue 402 CYS Chi-restraints excluded: chain FK residue 408 THR Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GG residue 405 LYS Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GN residue 308 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain GW residue 405 LYS Chi-restraints excluded: chain GZ residue 708 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HB residue 305 LYS Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain HZ residue 305 LYS Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H5 residue 105 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IE residue 205 LYS Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IT residue 105 LYS Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JH residue 105 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LV residue 705 LYS Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain L8 residue 405 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NY residue 206 VAL Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OA residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OL residue 105 LYS Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain OZ residue 708 THR Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PL residue 505 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain PY residue 205 LYS Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RB residue 305 LYS Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RN residue 705 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TB residue 306 VAL Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TQ residue 205 LYS Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UL residue 105 LYS Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2701 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.293 64800 Z= 3.018 Angle : 3.959 36.693 88800 Z= 1.666 Chirality : 0.209 0.924 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.408 59.778 8800 Min Nonbonded Distance : 1.936 Molprobity Statistics. All-atom Clashscore : 25.56 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.96 % Allowed : 11.04 % Favored : 83.00 % Cbeta Deviations : 4.05 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.83 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.64 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.055 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1007 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 286 poor density : 721 time to evaluate : 5.014 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7126 (m) cc_final: 0.6755 (m) REVERT: R 105 LYS cc_start: 0.9064 (OUTLIER) cc_final: 0.8513 (mtpp) REVERT: q 402 CYS cc_start: 0.7081 (m) cc_final: 0.6505 (m) REVERT: AF 302 CYS cc_start: 0.6630 (m) cc_final: 0.6318 (m) REVERT: AZ 705 LYS cc_start: 0.8989 (OUTLIER) cc_final: 0.8707 (mtmt) REVERT: BK 402 CYS cc_start: 0.6872 (m) cc_final: 0.6508 (m) REVERT: BN 705 LYS cc_start: 0.8750 (OUTLIER) cc_final: 0.8212 (mtpt) REVERT: BY 202 CYS cc_start: 0.6306 (m) cc_final: 0.5795 (m) REVERT: B7 302 CYS cc_start: 0.7006 (m) cc_final: 0.6450 (m) REVERT: B9 502 CYS cc_start: 0.6807 (m) cc_final: 0.6426 (m) REVERT: CE 202 CYS cc_start: 0.6609 (m) cc_final: 0.6192 (m) REVERT: CM 202 CYS cc_start: 0.7027 (m) cc_final: 0.6593 (m) REVERT: C1 105 LYS cc_start: 0.8964 (OUTLIER) cc_final: 0.8749 (mttm) REVERT: C3 302 CYS cc_start: 0.6999 (m) cc_final: 0.6695 (m) REVERT: DR 302 CYS cc_start: 0.6906 (m) cc_final: 0.6498 (m) REVERT: DZ 302 CYS cc_start: 0.6601 (m) cc_final: 0.6348 (m) REVERT: DZ 305 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8694 (mtmm) REVERT: D0 402 CYS cc_start: 0.7397 (m) cc_final: 0.6977 (m) REVERT: D7 305 LYS cc_start: 0.9035 (OUTLIER) cc_final: 0.8760 (mttt) REVERT: D9 502 CYS cc_start: 0.7062 (m) cc_final: 0.6705 (m) REVERT: EO 405 LYS cc_start: 0.9014 (OUTLIER) cc_final: 0.8396 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8716 (OUTLIER) cc_final: 0.8133 (mtpt) REVERT: E4 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8581 (mtmm) REVERT: FY 202 CYS cc_start: 0.6982 (m) cc_final: 0.6522 (m) REVERT: F6 202 CYS cc_start: 0.7054 (m) cc_final: 0.6579 (m) REVERT: GG 405 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8434 (mtmm) REVERT: GO 402 CYS cc_start: 0.7119 (m) cc_final: 0.6652 (m) REVERT: GW 402 CYS cc_start: 0.7129 (m) cc_final: 0.6849 (m) REVERT: G0 5 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8574 (mttp) REVERT: HC 402 CYS cc_start: 0.7191 (m) cc_final: 0.6870 (m) REVERT: HD 502 CYS cc_start: 0.7281 (m) cc_final: 0.6827 (m) REVERT: HE 605 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8500 (mtmt) REVERT: HS 405 LYS cc_start: 0.9071 (OUTLIER) cc_final: 0.8603 (mtmm) REVERT: HU 605 LYS cc_start: 0.8982 (OUTLIER) cc_final: 0.8741 (mttp) REVERT: H3 705 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8506 (mtmp) REVERT: H9 502 CYS cc_start: 0.7158 (m) cc_final: 0.6793 (m) REVERT: IE 202 CYS cc_start: 0.6609 (m) cc_final: 0.6190 (m) REVERT: IJ 705 LYS cc_start: 0.8657 (OUTLIER) cc_final: 0.7996 (mtpt) REVERT: IO 402 CYS cc_start: 0.7141 (m) cc_final: 0.6663 (m) REVERT: IO 405 LYS cc_start: 0.8998 (OUTLIER) cc_final: 0.8577 (mtmm) REVERT: IP 502 CYS cc_start: 0.7136 (m) cc_final: 0.6535 (m) REVERT: IU 205 LYS cc_start: 0.8910 (OUTLIER) cc_final: 0.8620 (mttt) REVERT: I4 402 CYS cc_start: 0.7089 (m) cc_final: 0.6674 (m) REVERT: JH 105 LYS cc_start: 0.8904 (OUTLIER) cc_final: 0.8642 (mttp) REVERT: JO 5 LYS cc_start: 0.8992 (OUTLIER) cc_final: 0.8691 (mtpt) REVERT: JP 105 LYS cc_start: 0.9072 (OUTLIER) cc_final: 0.8594 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6928 (m) cc_final: 0.6600 (m) REVERT: J4 5 LYS cc_start: 0.9081 (OUTLIER) cc_final: 0.8775 (mttm) REVERT: J6 202 CYS cc_start: 0.6885 (m) cc_final: 0.6376 (m) REVERT: KG 402 CYS cc_start: 0.7220 (m) cc_final: 0.6653 (m) REVERT: KQ 605 LYS cc_start: 0.8813 (OUTLIER) cc_final: 0.8181 (mtpt) REVERT: KX 502 CYS cc_start: 0.7166 (m) cc_final: 0.6683 (m) REVERT: K5 502 CYS cc_start: 0.7057 (m) cc_final: 0.6693 (m) REVERT: LK 402 CYS cc_start: 0.7238 (m) cc_final: 0.6700 (m) REVERT: LN 705 LYS cc_start: 0.8782 (OUTLIER) cc_final: 0.8165 (mtpt) REVERT: LY 205 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8398 (mtmm) REVERT: L6 202 CYS cc_start: 0.6719 (m) cc_final: 0.6274 (m) REVERT: L8 402 CYS cc_start: 0.7150 (m) cc_final: 0.6850 (m) REVERT: ME 202 CYS cc_start: 0.6355 (m) cc_final: 0.6029 (m) REVERT: M2 205 LYS cc_start: 0.8964 (mttp) cc_final: 0.8758 (mttt) REVERT: NC 402 CYS cc_start: 0.6854 (m) cc_final: 0.6374 (m) REVERT: NL 505 LYS cc_start: 0.8956 (mttp) cc_final: 0.8741 (mttt) REVERT: NO 5 LYS cc_start: 0.8986 (OUTLIER) cc_final: 0.8690 (mtmt) REVERT: NR 302 CYS cc_start: 0.6707 (m) cc_final: 0.6400 (m) REVERT: NS 402 CYS cc_start: 0.7253 (m) cc_final: 0.6962 (m) REVERT: NZ 302 CYS cc_start: 0.6850 (m) cc_final: 0.6546 (m) REVERT: N0 402 CYS cc_start: 0.6950 (m) cc_final: 0.6525 (m) REVERT: N7 302 CYS cc_start: 0.6726 (m) cc_final: 0.6345 (m) REVERT: OF 302 CYS cc_start: 0.6633 (m) cc_final: 0.6302 (m) REVERT: OG 402 CYS cc_start: 0.7101 (m) cc_final: 0.6717 (m) REVERT: OL 105 LYS cc_start: 0.8894 (OUTLIER) cc_final: 0.8185 (mttp) REVERT: ON 302 CYS cc_start: 0.6735 (m) cc_final: 0.6403 (m) REVERT: OO 405 LYS cc_start: 0.9050 (OUTLIER) cc_final: 0.8728 (mtmm) REVERT: OR 705 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8500 (mtmp) REVERT: OS 5 LYS cc_start: 0.8918 (OUTLIER) cc_final: 0.8637 (mtmt) REVERT: OU 202 CYS cc_start: 0.6972 (m) cc_final: 0.6384 (m) REVERT: OW 405 LYS cc_start: 0.9070 (OUTLIER) cc_final: 0.8846 (mtmm) REVERT: O1 105 LYS cc_start: 0.8950 (OUTLIER) cc_final: 0.8682 (mttp) REVERT: O4 405 LYS cc_start: 0.9059 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: O7 705 LYS cc_start: 0.8635 (OUTLIER) cc_final: 0.8032 (mtpt) REVERT: PC 402 CYS cc_start: 0.7292 (m) cc_final: 0.6791 (m) REVERT: PF 705 LYS cc_start: 0.8659 (mtmt) cc_final: 0.8454 (mtmt) REVERT: PY 202 CYS cc_start: 0.6915 (m) cc_final: 0.6516 (m) REVERT: P0 402 CYS cc_start: 0.7107 (m) cc_final: 0.6740 (m) REVERT: P1 502 CYS cc_start: 0.6914 (m) cc_final: 0.6639 (m) REVERT: QM 202 CYS cc_start: 0.7014 (m) cc_final: 0.6575 (m) REVERT: Q3 305 LYS cc_start: 0.8931 (OUTLIER) cc_final: 0.8700 (mttt) REVERT: Q4 402 CYS cc_start: 0.6784 (m) cc_final: 0.6303 (m) REVERT: RB 302 CYS cc_start: 0.6957 (m) cc_final: 0.6560 (m) REVERT: RJ 302 CYS cc_start: 0.6494 (m) cc_final: 0.6256 (m) REVERT: RM 605 LYS cc_start: 0.8848 (mtmt) cc_final: 0.8608 (mtmt) REVERT: RT 502 CYS cc_start: 0.7029 (m) cc_final: 0.6697 (m) REVERT: RY 202 CYS cc_start: 0.6993 (m) cc_final: 0.6421 (m) REVERT: R8 405 LYS cc_start: 0.9032 (OUTLIER) cc_final: 0.8413 (mtmm) REVERT: SB 705 LYS cc_start: 0.8915 (OUTLIER) cc_final: 0.8400 (mtmp) REVERT: SD 105 LYS cc_start: 0.8927 (mttt) cc_final: 0.8677 (mttp) REVERT: SP 505 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8738 (mtpt) REVERT: SR 705 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8321 (mtpt) REVERT: SU 205 LYS cc_start: 0.8978 (OUTLIER) cc_final: 0.8301 (mtmm) REVERT: S2 202 CYS cc_start: 0.6663 (m) cc_final: 0.6182 (m) REVERT: TA 202 CYS cc_start: 0.6726 (m) cc_final: 0.6329 (m) REVERT: TQ 205 LYS cc_start: 0.9066 (OUTLIER) cc_final: 0.8849 (mttp) REVERT: TX 105 LYS cc_start: 0.8914 (OUTLIER) cc_final: 0.8588 (mtpt) REVERT: T0 405 LYS cc_start: 0.9097 (mttp) cc_final: 0.8823 (mttt) REVERT: T5 105 LYS cc_start: 0.8950 (OUTLIER) cc_final: 0.8476 (mtpp) REVERT: UK 5 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8789 (mtmt) REVERT: UL 105 LYS cc_start: 0.9062 (OUTLIER) cc_final: 0.8725 (mttp) outliers start: 286 outliers final: 217 residues processed: 836 average time/residue: 1.4456 time to fit residues: 1536.5097 Evaluate side-chains 946 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 262 poor density : 684 time to evaluate : 4.741 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain j residue 508 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AZ residue 705 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BM residue 608 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain BZ residue 306 VAL Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain C8 residue 5 LYS Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DH residue 105 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FK residue 402 CYS Chi-restraints excluded: chain FK residue 408 THR Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GG residue 405 LYS Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GN residue 308 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain GZ residue 708 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HB residue 305 LYS Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HS residue 405 LYS Chi-restraints excluded: chain HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain HZ residue 305 LYS Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JH residue 105 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NY residue 206 VAL Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OA residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OL residue 105 LYS Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 5 LYS Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain OZ residue 708 THR Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O2 residue 205 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PL residue 505 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RB residue 305 LYS Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TB residue 306 VAL Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TQ residue 205 LYS Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UL residue 105 LYS Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2707 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.293 64800 Z= 3.019 Angle : 3.961 36.676 88800 Z= 1.667 Chirality : 0.209 0.923 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.416 59.985 8800 Min Nonbonded Distance : 1.937 Molprobity Statistics. All-atom Clashscore : 25.73 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.06 % Allowed : 11.00 % Favored : 82.94 % Cbeta Deviations : 4.09 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.82 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.64 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.054 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1014 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 291 poor density : 723 time to evaluate : 4.880 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7122 (m) cc_final: 0.6752 (m) REVERT: R 105 LYS cc_start: 0.9065 (OUTLIER) cc_final: 0.8525 (mtpp) REVERT: U 402 CYS cc_start: 0.7192 (m) cc_final: 0.6854 (m) REVERT: q 402 CYS cc_start: 0.7081 (m) cc_final: 0.6505 (m) REVERT: AF 302 CYS cc_start: 0.6632 (m) cc_final: 0.6319 (m) REVERT: AZ 705 LYS cc_start: 0.8991 (OUTLIER) cc_final: 0.8708 (mtmt) REVERT: BK 402 CYS cc_start: 0.6872 (m) cc_final: 0.6506 (m) REVERT: BN 705 LYS cc_start: 0.8750 (OUTLIER) cc_final: 0.8213 (mtpt) REVERT: BY 202 CYS cc_start: 0.6309 (m) cc_final: 0.5795 (m) REVERT: B7 302 CYS cc_start: 0.7007 (m) cc_final: 0.6456 (m) REVERT: B9 502 CYS cc_start: 0.6808 (m) cc_final: 0.6429 (m) REVERT: CE 202 CYS cc_start: 0.6608 (m) cc_final: 0.6190 (m) REVERT: CM 202 CYS cc_start: 0.7025 (m) cc_final: 0.6593 (m) REVERT: C1 105 LYS cc_start: 0.8964 (OUTLIER) cc_final: 0.8748 (mttm) REVERT: C3 302 CYS cc_start: 0.7001 (m) cc_final: 0.6694 (m) REVERT: DR 302 CYS cc_start: 0.6907 (m) cc_final: 0.6499 (m) REVERT: DZ 302 CYS cc_start: 0.6599 (m) cc_final: 0.6347 (m) REVERT: DZ 305 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8694 (mtmm) REVERT: D0 402 CYS cc_start: 0.7308 (m) cc_final: 0.6872 (m) REVERT: D7 305 LYS cc_start: 0.9036 (OUTLIER) cc_final: 0.8763 (mttt) REVERT: D9 502 CYS cc_start: 0.7063 (m) cc_final: 0.6708 (m) REVERT: EO 405 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8400 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8718 (OUTLIER) cc_final: 0.8130 (mtpt) REVERT: E4 405 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8583 (mtmm) REVERT: FA 202 CYS cc_start: 0.6575 (m) cc_final: 0.6220 (m) REVERT: FY 202 CYS cc_start: 0.6981 (m) cc_final: 0.6522 (m) REVERT: F6 202 CYS cc_start: 0.7055 (m) cc_final: 0.6580 (m) REVERT: GG 405 LYS cc_start: 0.9108 (OUTLIER) cc_final: 0.8431 (mtmm) REVERT: GO 402 CYS cc_start: 0.7119 (m) cc_final: 0.6651 (m) REVERT: GW 402 CYS cc_start: 0.7128 (m) cc_final: 0.6846 (m) REVERT: G0 5 LYS cc_start: 0.9009 (OUTLIER) cc_final: 0.8580 (mttp) REVERT: HC 402 CYS cc_start: 0.7189 (m) cc_final: 0.6869 (m) REVERT: HE 605 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8503 (mtmt) REVERT: HS 405 LYS cc_start: 0.9069 (OUTLIER) cc_final: 0.8601 (mtmm) REVERT: H3 705 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8504 (mtmp) REVERT: H9 502 CYS cc_start: 0.7159 (m) cc_final: 0.6794 (m) REVERT: IJ 705 LYS cc_start: 0.8656 (OUTLIER) cc_final: 0.7997 (mtpt) REVERT: IO 402 CYS cc_start: 0.7141 (m) cc_final: 0.6663 (m) REVERT: IO 405 LYS cc_start: 0.8999 (OUTLIER) cc_final: 0.8590 (mtmm) REVERT: IP 502 CYS cc_start: 0.7132 (m) cc_final: 0.6535 (m) REVERT: IU 205 LYS cc_start: 0.8911 (OUTLIER) cc_final: 0.8622 (mttt) REVERT: I4 402 CYS cc_start: 0.7090 (m) cc_final: 0.6673 (m) REVERT: JH 105 LYS cc_start: 0.8908 (OUTLIER) cc_final: 0.8645 (mttp) REVERT: JO 5 LYS cc_start: 0.8990 (OUTLIER) cc_final: 0.8687 (mtpt) REVERT: JP 105 LYS cc_start: 0.9072 (OUTLIER) cc_final: 0.8596 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6925 (m) cc_final: 0.6601 (m) REVERT: J4 5 LYS cc_start: 0.9082 (OUTLIER) cc_final: 0.8775 (mttm) REVERT: J6 202 CYS cc_start: 0.6886 (m) cc_final: 0.6374 (m) REVERT: KG 402 CYS cc_start: 0.7217 (m) cc_final: 0.6649 (m) REVERT: KQ 605 LYS cc_start: 0.8812 (OUTLIER) cc_final: 0.8180 (mtpt) REVERT: KX 502 CYS cc_start: 0.7167 (m) cc_final: 0.6685 (m) REVERT: K5 502 CYS cc_start: 0.7059 (m) cc_final: 0.6697 (m) REVERT: LK 402 CYS cc_start: 0.7239 (m) cc_final: 0.6703 (m) REVERT: LN 705 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.8146 (mtpt) REVERT: LY 205 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8394 (mtmm) REVERT: L6 202 CYS cc_start: 0.6717 (m) cc_final: 0.6272 (m) REVERT: L8 402 CYS cc_start: 0.7151 (m) cc_final: 0.6854 (m) REVERT: ME 202 CYS cc_start: 0.6358 (m) cc_final: 0.6023 (m) REVERT: M2 205 LYS cc_start: 0.8964 (mttp) cc_final: 0.8758 (mttt) REVERT: NC 402 CYS cc_start: 0.6851 (m) cc_final: 0.6373 (m) REVERT: NI 202 CYS cc_start: 0.7131 (m) cc_final: 0.6745 (m) REVERT: NO 5 LYS cc_start: 0.8986 (OUTLIER) cc_final: 0.8690 (mtmt) REVERT: NR 302 CYS cc_start: 0.6713 (m) cc_final: 0.6404 (m) REVERT: NS 402 CYS cc_start: 0.7180 (m) cc_final: 0.6898 (m) REVERT: NZ 302 CYS cc_start: 0.6841 (m) cc_final: 0.6533 (m) REVERT: N0 402 CYS cc_start: 0.6974 (m) cc_final: 0.6549 (m) REVERT: N7 302 CYS cc_start: 0.6730 (m) cc_final: 0.6350 (m) REVERT: OF 302 CYS cc_start: 0.6632 (m) cc_final: 0.6300 (m) REVERT: OG 402 CYS cc_start: 0.7100 (m) cc_final: 0.6715 (m) REVERT: OL 105 LYS cc_start: 0.8896 (OUTLIER) cc_final: 0.8187 (mttp) REVERT: ON 302 CYS cc_start: 0.6731 (m) cc_final: 0.6404 (m) REVERT: OO 405 LYS cc_start: 0.9051 (OUTLIER) cc_final: 0.8728 (mtmm) REVERT: OR 705 LYS cc_start: 0.9024 (OUTLIER) cc_final: 0.8498 (mtmp) REVERT: OU 202 CYS cc_start: 0.6968 (m) cc_final: 0.6383 (m) REVERT: OW 405 LYS cc_start: 0.9067 (OUTLIER) cc_final: 0.8841 (mtmm) REVERT: O1 105 LYS cc_start: 0.8952 (OUTLIER) cc_final: 0.8681 (mttp) REVERT: O4 405 LYS cc_start: 0.9058 (OUTLIER) cc_final: 0.8467 (mtmm) REVERT: O7 705 LYS cc_start: 0.8634 (OUTLIER) cc_final: 0.8032 (mtpt) REVERT: PC 402 CYS cc_start: 0.7298 (m) cc_final: 0.6789 (m) REVERT: P0 402 CYS cc_start: 0.7107 (m) cc_final: 0.6738 (m) REVERT: P1 502 CYS cc_start: 0.6915 (m) cc_final: 0.6641 (m) REVERT: QM 202 CYS cc_start: 0.7012 (m) cc_final: 0.6552 (m) REVERT: Q3 305 LYS cc_start: 0.8931 (OUTLIER) cc_final: 0.8701 (mttt) REVERT: Q4 402 CYS cc_start: 0.6786 (m) cc_final: 0.6305 (m) REVERT: RB 302 CYS cc_start: 0.6960 (m) cc_final: 0.6563 (m) REVERT: RJ 302 CYS cc_start: 0.6494 (m) cc_final: 0.6257 (m) REVERT: RM 605 LYS cc_start: 0.8847 (mtmt) cc_final: 0.8610 (mtmt) REVERT: RN 705 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.8580 (mtmt) REVERT: RT 502 CYS cc_start: 0.7025 (m) cc_final: 0.6695 (m) REVERT: RY 202 CYS cc_start: 0.6995 (m) cc_final: 0.6408 (m) REVERT: R8 405 LYS cc_start: 0.9032 (OUTLIER) cc_final: 0.8412 (mtmm) REVERT: SB 705 LYS cc_start: 0.8914 (OUTLIER) cc_final: 0.8397 (mtmp) REVERT: SD 105 LYS cc_start: 0.8925 (mttt) cc_final: 0.8677 (mttp) REVERT: SP 505 LYS cc_start: 0.9006 (OUTLIER) cc_final: 0.8740 (mtpt) REVERT: SR 705 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8321 (mtpt) REVERT: SU 205 LYS cc_start: 0.8976 (OUTLIER) cc_final: 0.8298 (mtmm) REVERT: S2 202 CYS cc_start: 0.6666 (m) cc_final: 0.6183 (m) REVERT: TA 202 CYS cc_start: 0.6730 (m) cc_final: 0.6333 (m) REVERT: TI 202 CYS cc_start: 0.6601 (m) cc_final: 0.6189 (m) REVERT: TQ 205 LYS cc_start: 0.9068 (OUTLIER) cc_final: 0.8851 (mttp) REVERT: TX 105 LYS cc_start: 0.8915 (OUTLIER) cc_final: 0.8587 (mtpt) REVERT: T0 405 LYS cc_start: 0.9099 (mttp) cc_final: 0.8825 (mttt) REVERT: T5 105 LYS cc_start: 0.8949 (OUTLIER) cc_final: 0.8475 (mtpp) REVERT: UK 5 LYS cc_start: 0.9099 (OUTLIER) cc_final: 0.8790 (mtmt) REVERT: UL 105 LYS cc_start: 0.9061 (OUTLIER) cc_final: 0.8724 (mttp) outliers start: 291 outliers final: 222 residues processed: 837 average time/residue: 1.5062 time to fit residues: 1594.8357 Evaluate side-chains 950 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 266 poor density : 684 time to evaluate : 4.855 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain j residue 508 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AZ residue 705 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BM residue 608 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain BZ residue 306 VAL Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DA residue 205 LYS Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FK residue 408 THR Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain GA residue 608 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GG residue 405 LYS Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GN residue 308 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain GZ residue 708 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HK residue 402 CYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HS residue 405 LYS Chi-restraints excluded: chain HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain HZ residue 305 LYS Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H5 residue 105 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IE residue 205 LYS Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JH residue 105 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MH residue 505 LYS Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NY residue 206 VAL Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OL residue 105 LYS Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O2 residue 205 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PL residue 505 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RB residue 305 LYS Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RN residue 705 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TB residue 306 VAL Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TQ residue 205 LYS Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UL residue 105 LYS Chi-restraints excluded: chain UQ residue 608 THR Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2712 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.293 64800 Z= 3.021 Angle : 3.966 36.610 88800 Z= 1.669 Chirality : 0.209 0.921 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.422 59.836 8800 Min Nonbonded Distance : 1.937 Molprobity Statistics. All-atom Clashscore : 25.82 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.83 % Allowed : 11.46 % Favored : 82.71 % Cbeta Deviations : 4.06 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.82 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.63 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.055 0.012 TYRPR 303 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 993 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 280 poor density : 713 time to evaluate : 5.056 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7122 (m) cc_final: 0.6751 (m) REVERT: R 105 LYS cc_start: 0.9066 (OUTLIER) cc_final: 0.8531 (mtpp) REVERT: q 402 CYS cc_start: 0.7076 (m) cc_final: 0.6502 (m) REVERT: AF 302 CYS cc_start: 0.6683 (m) cc_final: 0.6351 (m) REVERT: BK 402 CYS cc_start: 0.6875 (m) cc_final: 0.6509 (m) REVERT: BN 705 LYS cc_start: 0.8752 (OUTLIER) cc_final: 0.8216 (mtpt) REVERT: BY 202 CYS cc_start: 0.6309 (m) cc_final: 0.5797 (m) REVERT: B7 302 CYS cc_start: 0.7007 (m) cc_final: 0.6457 (m) REVERT: B9 502 CYS cc_start: 0.6810 (m) cc_final: 0.6429 (m) REVERT: CE 202 CYS cc_start: 0.6609 (m) cc_final: 0.6194 (m) REVERT: CM 202 CYS cc_start: 0.7026 (m) cc_final: 0.6594 (m) REVERT: C1 105 LYS cc_start: 0.8963 (OUTLIER) cc_final: 0.8750 (mttm) REVERT: C3 302 CYS cc_start: 0.7052 (m) cc_final: 0.6746 (m) REVERT: DR 302 CYS cc_start: 0.6909 (m) cc_final: 0.6506 (m) REVERT: DZ 302 CYS cc_start: 0.6599 (m) cc_final: 0.6348 (m) REVERT: DZ 305 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8694 (mtmm) REVERT: D0 402 CYS cc_start: 0.7281 (m) cc_final: 0.6827 (m) REVERT: D7 305 LYS cc_start: 0.9036 (OUTLIER) cc_final: 0.8766 (mttt) REVERT: D9 502 CYS cc_start: 0.7057 (m) cc_final: 0.6702 (m) REVERT: EO 405 LYS cc_start: 0.9027 (OUTLIER) cc_final: 0.8418 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8716 (OUTLIER) cc_final: 0.8131 (mtpt) REVERT: E4 405 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8582 (mtmm) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6524 (m) REVERT: F6 202 CYS cc_start: 0.7054 (m) cc_final: 0.6579 (m) REVERT: GG 405 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8437 (mtmm) REVERT: GO 402 CYS cc_start: 0.7164 (m) cc_final: 0.6703 (m) REVERT: GW 402 CYS cc_start: 0.7130 (m) cc_final: 0.6848 (m) REVERT: G0 5 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8581 (mttp) REVERT: HC 402 CYS cc_start: 0.7190 (m) cc_final: 0.6873 (m) REVERT: HE 605 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8499 (mtmt) REVERT: HS 405 LYS cc_start: 0.9069 (OUTLIER) cc_final: 0.8603 (mtmm) REVERT: H3 705 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8503 (mtmp) REVERT: H9 502 CYS cc_start: 0.7157 (m) cc_final: 0.6790 (m) REVERT: IE 202 CYS cc_start: 0.6721 (m) cc_final: 0.6313 (m) REVERT: IJ 705 LYS cc_start: 0.8655 (OUTLIER) cc_final: 0.7996 (mtpt) REVERT: IO 402 CYS cc_start: 0.7142 (m) cc_final: 0.6662 (m) REVERT: IO 405 LYS cc_start: 0.8999 (OUTLIER) cc_final: 0.8579 (mtmm) REVERT: IP 502 CYS cc_start: 0.7136 (m) cc_final: 0.6533 (m) REVERT: IU 205 LYS cc_start: 0.8912 (OUTLIER) cc_final: 0.8622 (mttt) REVERT: I4 402 CYS cc_start: 0.7092 (m) cc_final: 0.6675 (m) REVERT: JH 105 LYS cc_start: 0.8911 (OUTLIER) cc_final: 0.8650 (mttp) REVERT: JO 5 LYS cc_start: 0.8990 (OUTLIER) cc_final: 0.8689 (mtpt) REVERT: JP 105 LYS cc_start: 0.9073 (OUTLIER) cc_final: 0.8595 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6925 (m) cc_final: 0.6601 (m) REVERT: J4 5 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8777 (mttm) REVERT: J6 202 CYS cc_start: 0.6885 (m) cc_final: 0.6375 (m) REVERT: KG 402 CYS cc_start: 0.7219 (m) cc_final: 0.6652 (m) REVERT: KQ 605 LYS cc_start: 0.8813 (OUTLIER) cc_final: 0.8180 (mtpt) REVERT: KX 502 CYS cc_start: 0.7168 (m) cc_final: 0.6685 (m) REVERT: K5 502 CYS cc_start: 0.7059 (m) cc_final: 0.6710 (m) REVERT: LK 402 CYS cc_start: 0.7240 (m) cc_final: 0.6701 (m) REVERT: LN 705 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.8149 (mtpt) REVERT: LY 205 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8394 (mtmm) REVERT: L6 202 CYS cc_start: 0.6721 (m) cc_final: 0.6274 (m) REVERT: L8 402 CYS cc_start: 0.7154 (m) cc_final: 0.6853 (m) REVERT: ME 202 CYS cc_start: 0.6357 (m) cc_final: 0.6026 (m) REVERT: M2 205 LYS cc_start: 0.8964 (mttp) cc_final: 0.8757 (mttt) REVERT: NC 402 CYS cc_start: 0.6851 (m) cc_final: 0.6373 (m) REVERT: NI 202 CYS cc_start: 0.7143 (m) cc_final: 0.6723 (m) REVERT: NO 5 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8687 (mtmt) REVERT: NR 302 CYS cc_start: 0.6713 (m) cc_final: 0.6404 (m) REVERT: NS 402 CYS cc_start: 0.7166 (m) cc_final: 0.6881 (m) REVERT: NZ 302 CYS cc_start: 0.6853 (m) cc_final: 0.6549 (m) REVERT: N0 402 CYS cc_start: 0.6952 (m) cc_final: 0.6521 (m) REVERT: N7 302 CYS cc_start: 0.6730 (m) cc_final: 0.6348 (m) REVERT: OF 302 CYS cc_start: 0.6632 (m) cc_final: 0.6301 (m) REVERT: OG 402 CYS cc_start: 0.7101 (m) cc_final: 0.6715 (m) REVERT: OL 105 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8191 (mttp) REVERT: ON 302 CYS cc_start: 0.6733 (m) cc_final: 0.6404 (m) REVERT: OO 405 LYS cc_start: 0.9051 (OUTLIER) cc_final: 0.8728 (mtmm) REVERT: OR 705 LYS cc_start: 0.9024 (OUTLIER) cc_final: 0.8502 (mtmp) REVERT: OU 202 CYS cc_start: 0.6971 (m) cc_final: 0.6383 (m) REVERT: OW 405 LYS cc_start: 0.9067 (OUTLIER) cc_final: 0.8841 (mtmm) REVERT: O1 105 LYS cc_start: 0.8953 (OUTLIER) cc_final: 0.8684 (mttp) REVERT: O4 405 LYS cc_start: 0.9058 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: O7 705 LYS cc_start: 0.8635 (OUTLIER) cc_final: 0.8034 (mtpt) REVERT: PC 402 CYS cc_start: 0.7292 (m) cc_final: 0.6788 (m) REVERT: P0 402 CYS cc_start: 0.7105 (m) cc_final: 0.6735 (m) REVERT: P1 502 CYS cc_start: 0.6915 (m) cc_final: 0.6641 (m) REVERT: QM 202 CYS cc_start: 0.7014 (m) cc_final: 0.6555 (m) REVERT: Q3 305 LYS cc_start: 0.8929 (OUTLIER) cc_final: 0.8700 (mttt) REVERT: Q4 402 CYS cc_start: 0.6785 (m) cc_final: 0.6305 (m) REVERT: RB 302 CYS cc_start: 0.6958 (m) cc_final: 0.6561 (m) REVERT: RJ 302 CYS cc_start: 0.6497 (m) cc_final: 0.6259 (m) REVERT: RM 605 LYS cc_start: 0.8851 (mtmt) cc_final: 0.8615 (mtmt) REVERT: RN 705 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.8581 (mtmt) REVERT: RT 502 CYS cc_start: 0.7024 (m) cc_final: 0.6693 (m) REVERT: RY 202 CYS cc_start: 0.6995 (m) cc_final: 0.6407 (m) REVERT: R8 405 LYS cc_start: 0.9032 (OUTLIER) cc_final: 0.8412 (mtmm) REVERT: SB 705 LYS cc_start: 0.8915 (OUTLIER) cc_final: 0.8400 (mtmp) REVERT: SD 105 LYS cc_start: 0.8922 (mttt) cc_final: 0.8678 (mttp) REVERT: SP 505 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8700 (mtpt) REVERT: SR 705 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8322 (mtpt) REVERT: SU 205 LYS cc_start: 0.8971 (OUTLIER) cc_final: 0.8288 (mtmm) REVERT: S2 202 CYS cc_start: 0.6666 (m) cc_final: 0.6185 (m) REVERT: TA 202 CYS cc_start: 0.6727 (m) cc_final: 0.6332 (m) REVERT: TI 202 CYS cc_start: 0.6548 (m) cc_final: 0.6134 (m) REVERT: TQ 205 LYS cc_start: 0.9069 (OUTLIER) cc_final: 0.8853 (mttp) REVERT: TX 105 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8585 (mtpt) REVERT: T0 405 LYS cc_start: 0.9099 (mttp) cc_final: 0.8826 (mttt) REVERT: T5 105 LYS cc_start: 0.8948 (OUTLIER) cc_final: 0.8475 (mtpp) REVERT: UK 5 LYS cc_start: 0.9097 (OUTLIER) cc_final: 0.8790 (mtmt) REVERT: UL 105 LYS cc_start: 0.9062 (OUTLIER) cc_final: 0.8725 (mttp) outliers start: 280 outliers final: 221 residues processed: 820 average time/residue: 1.5045 time to fit residues: 1561.6900 Evaluate side-chains 950 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 264 poor density : 686 time to evaluate : 4.719 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain j residue 508 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AF residue 305 LYS Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BM residue 608 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain BZ residue 306 VAL Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FK residue 402 CYS Chi-restraints excluded: chain FK residue 408 THR Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain GA residue 608 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GG residue 405 LYS Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GN residue 308 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain GZ residue 708 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HK residue 402 CYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HS residue 405 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain HZ residue 305 LYS Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IE residue 205 LYS Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JH residue 105 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MH residue 505 LYS Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NY residue 206 VAL Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OA residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OL residue 105 LYS Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain OZ residue 708 THR Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O2 residue 205 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PL residue 505 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RB residue 305 LYS Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RN residue 705 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SF residue 305 LYS Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TB residue 306 VAL Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TQ residue 205 LYS Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UL residue 105 LYS Chi-restraints excluded: chain UQ residue 608 THR Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8199 moved from start: 0.2716 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.293 64800 Z= 3.024 Angle : 3.971 36.632 88800 Z= 1.672 Chirality : 0.209 0.923 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.429 59.856 8800 Min Nonbonded Distance : 1.937 Molprobity Statistics. All-atom Clashscore : 25.87 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.75 % Allowed : 11.71 % Favored : 82.54 % Cbeta Deviations : 4.08 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.81 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.63 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.054 0.012 TYRPR 303 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 3200 Ramachandran restraints generated. 1600 Oldfield, 0 Emsley, 1600 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 980 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 704 time to evaluate : 4.906 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: F 502 CYS cc_start: 0.7119 (m) cc_final: 0.6749 (m) REVERT: R 105 LYS cc_start: 0.9049 (OUTLIER) cc_final: 0.8514 (mtpp) REVERT: q 402 CYS cc_start: 0.7079 (m) cc_final: 0.6506 (m) REVERT: AF 302 CYS cc_start: 0.6635 (m) cc_final: 0.6321 (m) REVERT: BK 402 CYS cc_start: 0.6876 (m) cc_final: 0.6511 (m) REVERT: BN 705 LYS cc_start: 0.8749 (OUTLIER) cc_final: 0.8213 (mtpt) REVERT: BY 202 CYS cc_start: 0.6311 (m) cc_final: 0.5797 (m) REVERT: B7 302 CYS cc_start: 0.7010 (m) cc_final: 0.6459 (m) REVERT: B9 502 CYS cc_start: 0.6808 (m) cc_final: 0.6426 (m) REVERT: CE 202 CYS cc_start: 0.6609 (m) cc_final: 0.6195 (m) REVERT: CM 202 CYS cc_start: 0.7029 (m) cc_final: 0.6593 (m) REVERT: C1 105 LYS cc_start: 0.8962 (OUTLIER) cc_final: 0.8751 (mttm) REVERT: C3 302 CYS cc_start: 0.7048 (m) cc_final: 0.6747 (m) REVERT: DR 302 CYS cc_start: 0.6914 (m) cc_final: 0.6512 (m) REVERT: DZ 302 CYS cc_start: 0.6599 (m) cc_final: 0.6350 (m) REVERT: DZ 305 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8694 (mtmm) REVERT: D0 402 CYS cc_start: 0.7297 (m) cc_final: 0.6834 (m) REVERT: D7 305 LYS cc_start: 0.9035 (OUTLIER) cc_final: 0.8767 (mttt) REVERT: D9 502 CYS cc_start: 0.7059 (m) cc_final: 0.6705 (m) REVERT: EO 405 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8401 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8720 (OUTLIER) cc_final: 0.8130 (mtpt) REVERT: E4 405 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8583 (mtmm) REVERT: FY 202 CYS cc_start: 0.6984 (m) cc_final: 0.6524 (m) REVERT: F6 202 CYS cc_start: 0.7054 (m) cc_final: 0.6579 (m) REVERT: GG 405 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8437 (mtmm) REVERT: GO 402 CYS cc_start: 0.7162 (m) cc_final: 0.6703 (m) REVERT: GW 402 CYS cc_start: 0.7129 (m) cc_final: 0.6847 (m) REVERT: G0 5 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8582 (mttp) REVERT: HC 402 CYS cc_start: 0.7191 (m) cc_final: 0.6874 (m) REVERT: HE 605 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8483 (mtmt) REVERT: HS 405 LYS cc_start: 0.9070 (OUTLIER) cc_final: 0.8604 (mtmm) REVERT: H3 705 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8504 (mtmp) REVERT: H9 502 CYS cc_start: 0.7156 (m) cc_final: 0.6790 (m) REVERT: IE 202 CYS cc_start: 0.6688 (m) cc_final: 0.6268 (m) REVERT: IJ 705 LYS cc_start: 0.8657 (OUTLIER) cc_final: 0.7996 (mtpt) REVERT: IO 402 CYS cc_start: 0.7140 (m) cc_final: 0.6662 (m) REVERT: IO 405 LYS cc_start: 0.9000 (OUTLIER) cc_final: 0.8580 (mtmm) REVERT: IP 502 CYS cc_start: 0.7136 (m) cc_final: 0.6534 (m) REVERT: IU 205 LYS cc_start: 0.8912 (OUTLIER) cc_final: 0.8622 (mttt) REVERT: I4 402 CYS cc_start: 0.7091 (m) cc_final: 0.6674 (m) REVERT: JH 105 LYS cc_start: 0.8919 (OUTLIER) cc_final: 0.8663 (mttp) REVERT: JO 5 LYS cc_start: 0.8989 (OUTLIER) cc_final: 0.8686 (mtpt) REVERT: JP 105 LYS cc_start: 0.9072 (OUTLIER) cc_final: 0.8593 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6926 (m) cc_final: 0.6601 (m) REVERT: J4 5 LYS cc_start: 0.9080 (OUTLIER) cc_final: 0.8775 (mttm) REVERT: J6 202 CYS cc_start: 0.6886 (m) cc_final: 0.6375 (m) REVERT: KG 402 CYS cc_start: 0.7220 (m) cc_final: 0.6657 (m) REVERT: KQ 605 LYS cc_start: 0.8813 (OUTLIER) cc_final: 0.8179 (mtpt) REVERT: KX 502 CYS cc_start: 0.7166 (m) cc_final: 0.6681 (m) REVERT: K5 502 CYS cc_start: 0.7062 (m) cc_final: 0.6715 (m) REVERT: LK 402 CYS cc_start: 0.7237 (m) cc_final: 0.6702 (m) REVERT: LN 705 LYS cc_start: 0.8780 (OUTLIER) cc_final: 0.8149 (mtpt) REVERT: LY 205 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8390 (mtmm) REVERT: L6 202 CYS cc_start: 0.6718 (m) cc_final: 0.6273 (m) REVERT: L8 402 CYS cc_start: 0.7152 (m) cc_final: 0.6846 (m) REVERT: ME 202 CYS cc_start: 0.6359 (m) cc_final: 0.6028 (m) REVERT: M2 205 LYS cc_start: 0.8965 (mttp) cc_final: 0.8758 (mttt) REVERT: NC 402 CYS cc_start: 0.6850 (m) cc_final: 0.6375 (m) REVERT: NI 202 CYS cc_start: 0.7119 (m) cc_final: 0.6639 (m) REVERT: NO 5 LYS cc_start: 0.8985 (OUTLIER) cc_final: 0.8685 (mtmt) REVERT: NR 302 CYS cc_start: 0.6713 (m) cc_final: 0.6406 (m) REVERT: NZ 302 CYS cc_start: 0.6852 (m) cc_final: 0.6551 (m) REVERT: N0 402 CYS cc_start: 0.6951 (m) cc_final: 0.6521 (m) REVERT: N7 302 CYS cc_start: 0.6730 (m) cc_final: 0.6346 (m) REVERT: OF 302 CYS cc_start: 0.6631 (m) cc_final: 0.6301 (m) REVERT: OG 402 CYS cc_start: 0.7101 (m) cc_final: 0.6715 (m) REVERT: OL 105 LYS cc_start: 0.8899 (OUTLIER) cc_final: 0.8192 (mttp) REVERT: ON 302 CYS cc_start: 0.6736 (m) cc_final: 0.6407 (m) REVERT: OO 405 LYS cc_start: 0.9050 (OUTLIER) cc_final: 0.8728 (mtmm) REVERT: OR 705 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8502 (mtmp) REVERT: OU 202 CYS cc_start: 0.6977 (m) cc_final: 0.6385 (m) REVERT: OW 405 LYS cc_start: 0.9069 (OUTLIER) cc_final: 0.8815 (mtmm) REVERT: O1 105 LYS cc_start: 0.8953 (OUTLIER) cc_final: 0.8683 (mttp) REVERT: O4 405 LYS cc_start: 0.9059 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: O7 705 LYS cc_start: 0.8635 (OUTLIER) cc_final: 0.8035 (mtpt) REVERT: PC 402 CYS cc_start: 0.7295 (m) cc_final: 0.6796 (m) REVERT: P0 402 CYS cc_start: 0.7103 (m) cc_final: 0.6733 (m) REVERT: P1 502 CYS cc_start: 0.6914 (m) cc_final: 0.6640 (m) REVERT: QM 202 CYS cc_start: 0.7013 (m) cc_final: 0.6557 (m) REVERT: Q3 305 LYS cc_start: 0.8930 (OUTLIER) cc_final: 0.8697 (mttt) REVERT: Q4 402 CYS cc_start: 0.6782 (m) cc_final: 0.6305 (m) REVERT: RB 302 CYS cc_start: 0.6959 (m) cc_final: 0.6561 (m) REVERT: RJ 302 CYS cc_start: 0.6497 (m) cc_final: 0.6258 (m) REVERT: RM 605 LYS cc_start: 0.8852 (mtmt) cc_final: 0.8617 (mtmt) REVERT: RN 705 LYS cc_start: 0.8786 (OUTLIER) cc_final: 0.8581 (mtmt) REVERT: RT 502 CYS cc_start: 0.7022 (m) cc_final: 0.6695 (m) REVERT: RY 202 CYS cc_start: 0.6997 (m) cc_final: 0.6409 (m) REVERT: R8 405 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8413 (mtmm) REVERT: SB 705 LYS cc_start: 0.8916 (OUTLIER) cc_final: 0.8401 (mtmp) REVERT: SD 105 LYS cc_start: 0.8886 (mttt) cc_final: 0.8677 (mttp) REVERT: SP 505 LYS cc_start: 0.9006 (OUTLIER) cc_final: 0.8740 (mtpt) REVERT: SR 705 LYS cc_start: 0.8828 (OUTLIER) cc_final: 0.8322 (mtpt) REVERT: SU 205 LYS cc_start: 0.8971 (OUTLIER) cc_final: 0.8287 (mtmm) REVERT: S2 202 CYS cc_start: 0.6667 (m) cc_final: 0.6185 (m) REVERT: TA 202 CYS cc_start: 0.6728 (m) cc_final: 0.6329 (m) REVERT: TI 202 CYS cc_start: 0.6429 (m) cc_final: 0.5968 (m) REVERT: TQ 205 LYS cc_start: 0.9034 (OUTLIER) cc_final: 0.8830 (mttp) REVERT: TX 105 LYS cc_start: 0.8898 (OUTLIER) cc_final: 0.8585 (mtpt) REVERT: T0 405 LYS cc_start: 0.9099 (mttp) cc_final: 0.8830 (mttt) REVERT: T5 105 LYS cc_start: 0.8947 (OUTLIER) cc_final: 0.8474 (mtpp) REVERT: UK 5 LYS cc_start: 0.9097 (OUTLIER) cc_final: 0.8790 (mtmt) REVERT: UL 105 LYS cc_start: 0.9060 (OUTLIER) cc_final: 0.8724 (mttp) outliers start: 276 outliers final: 222 residues processed: 808 average time/residue: 1.5225 time to fit residues: 1555.7288 Evaluate side-chains 948 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 265 poor density : 683 time to evaluate : 5.030 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain G residue 608 THR Chi-restraints excluded: chain H residue 708 THR Chi-restraints excluded: chain O residue 608 THR Chi-restraints excluded: chain P residue 708 THR Chi-restraints excluded: chain R residue 105 LYS Chi-restraints excluded: chain W residue 608 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain j residue 508 THR Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain l residue 708 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain t residue 708 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AJ residue 708 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AQ residue 608 THR Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A6 residue 608 THR Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BG residue 8 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BM residue 608 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BN residue 708 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BY residue 205 LYS Chi-restraints excluded: chain BZ residue 306 VAL Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B7 residue 306 VAL Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CJ residue 708 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DN residue 708 THR Chi-restraints excluded: chain DU residue 608 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D2 residue 608 THR Chi-restraints excluded: chain D4 residue 8 THR Chi-restraints excluded: chain D7 residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EA residue 608 THR Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS Chi-restraints excluded: chain EG residue 402 CYS Chi-restraints excluded: chain EG residue 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EI residue 608 THR Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ER residue 708 THR Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EU residue 205 LYS Chi-restraints excluded: chain EY residue 608 THR Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain EZ residue 708 THR Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E8 residue 8 THR Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FF residue 708 THR Chi-restraints excluded: chain FI residue 205 LYS Chi-restraints excluded: chain FK residue 402 CYS Chi-restraints excluded: chain FK residue 408 THR Chi-restraints excluded: chain FM residue 608 THR Chi-restraints excluded: chain FN residue 708 THR Chi-restraints excluded: chain FV residue 708 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain GA residue 608 THR Chi-restraints excluded: chain GB residue 708 THR Chi-restraints excluded: chain GG residue 405 LYS Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain GJ residue 708 THR Chi-restraints excluded: chain GN residue 308 THR Chi-restraints excluded: chain GQ residue 608 THR Chi-restraints excluded: chain GV residue 305 LYS Chi-restraints excluded: chain GZ residue 708 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain HE residue 605 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HF residue 705 LYS Chi-restraints excluded: chain HK residue 402 CYS Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HR residue 305 LYS Chi-restraints excluded: chain HS residue 402 CYS Chi-restraints excluded: chain HS residue 405 LYS Chi-restraints excluded: chain HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS Chi-restraints excluded: chain HV residue 708 THR Chi-restraints excluded: chain HW residue 8 THR Chi-restraints excluded: chain HZ residue 305 LYS Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H2 residue 608 THR Chi-restraints excluded: chain H3 residue 705 LYS Chi-restraints excluded: chain H5 residue 105 LYS Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IA residue 608 THR Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain IC residue 8 THR Chi-restraints excluded: chain IE residue 205 LYS Chi-restraints excluded: chain IJ residue 705 LYS Chi-restraints excluded: chain IJ residue 708 THR Chi-restraints excluded: chain IM residue 205 LYS Chi-restraints excluded: chain IO residue 405 LYS Chi-restraints excluded: chain IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IU residue 205 LYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain JF residue 708 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JH residue 105 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JV residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KN residue 305 LYS Chi-restraints excluded: chain KO residue 402 CYS Chi-restraints excluded: chain KQ residue 605 LYS Chi-restraints excluded: chain KQ residue 608 THR Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain KV residue 305 LYS Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K6 residue 605 LYS Chi-restraints excluded: chain K6 residue 608 THR Chi-restraints excluded: chain K7 residue 705 LYS Chi-restraints excluded: chain K7 residue 708 THR Chi-restraints excluded: chain K8 residue 8 THR Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LI residue 205 LYS Chi-restraints excluded: chain LK residue 405 LYS Chi-restraints excluded: chain LL residue 505 LYS Chi-restraints excluded: chain LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LV residue 708 THR Chi-restraints excluded: chain LW residue 8 THR Chi-restraints excluded: chain LY residue 205 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain L3 residue 708 THR Chi-restraints excluded: chain L6 residue 205 LYS Chi-restraints excluded: chain MA residue 608 THR Chi-restraints excluded: chain MB residue 708 THR Chi-restraints excluded: chain MH residue 505 LYS Chi-restraints excluded: chain MJ residue 708 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NM residue 608 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NY residue 206 VAL Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain OF residue 305 LYS Chi-restraints excluded: chain OH residue 502 CYS Chi-restraints excluded: chain OI residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain OL residue 105 LYS Chi-restraints excluded: chain OO residue 405 LYS Chi-restraints excluded: chain OQ residue 608 THR Chi-restraints excluded: chain OR residue 705 LYS Chi-restraints excluded: chain OR residue 708 THR Chi-restraints excluded: chain OS residue 8 THR Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain OZ residue 708 THR Chi-restraints excluded: chain O0 residue 8 THR Chi-restraints excluded: chain O1 residue 105 LYS Chi-restraints excluded: chain O2 residue 205 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain O8 residue 8 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PL residue 505 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain PN residue 708 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QC residue 5 LYS Chi-restraints excluded: chain QR residue 708 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RB residue 305 LYS Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RN residue 705 LYS Chi-restraints excluded: chain RO residue 8 THR Chi-restraints excluded: chain RR residue 305 LYS Chi-restraints excluded: chain RZ residue 305 LYS Chi-restraints excluded: chain R3 residue 705 LYS Chi-restraints excluded: chain R4 residue 8 THR Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SA residue 608 THR Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SB residue 708 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS Chi-restraints excluded: chain SI residue 608 THR Chi-restraints excluded: chain SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain ST residue 105 LYS Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SZ residue 708 THR Chi-restraints excluded: chain S7 residue 708 THR Chi-restraints excluded: chain TB residue 306 VAL Chi-restraints excluded: chain TE residue 608 THR Chi-restraints excluded: chain TF residue 705 LYS Chi-restraints excluded: chain TF residue 708 THR Chi-restraints excluded: chain TN residue 708 THR Chi-restraints excluded: chain TQ residue 205 LYS Chi-restraints excluded: chain TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UB residue 708 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UJ residue 708 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UL residue 105 LYS Chi-restraints excluded: chain UQ residue 608 THR Chi-restraints excluded: chain UR residue 708 THR Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 0.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3950 r_free = 0.3950 target = 0.155929 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.3882 r_free = 0.3882 target = 0.150775 restraints weight = 53579.812| |-----------------------------------------------------------------------------| r_work (start): 0.3896 rms_B_bonded: 0.75 r_work: 0.3849 rms_B_bonded: 0.67 restraints_weight: 0.5000 r_work: 0.3782 rms_B_bonded: 1.24 restraints_weight: 0.2500 r_work: 0.3603 rms_B_bonded: 4.01 restraints_weight: 0.1250 r_work (final): 0.3603 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8503 moved from start: 0.2719 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.055 0.292 64800 Z= 3.023 Angle : 3.972 36.623 88800 Z= 1.672 Chirality : 0.209 0.920 8000 Planarity : 0.022 0.097 8800 Dihedral : 13.433 59.829 8800 Min Nonbonded Distance : 1.937 Molprobity Statistics. All-atom Clashscore : 25.81 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.69 % Allowed : 11.98 % Favored : 82.33 % Cbeta Deviations : 4.09 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.81 (0.11), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.63 (0.08), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.055 0.012 TYRPR 303 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 23480.73 seconds wall clock time: 406 minutes 40.50 seconds (24400.50 seconds total)